data_10162_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10162 _Entry.PDB_ID 2EEC _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 9 9 LYS N N 9 120.806 122.848 -2.042 1 1 2 . 1 1 1 A 9 9 LYS H H 9 8.548 8.856 -0.308 1 1 3 . 1 1 1 A 9 9 LYS CA C 9 56.358 55.199 1.159 1 1 4 . 1 1 1 A 9 9 LYS HA H 9 4.261 4.922 -0.661 1 1 5 . 1 1 1 A 9 9 LYS CB C 9 32.673 33.754 -1.081 1 1 17 . 1 1 1 A 10 10 VAL HA H 10 4.307 4.915 -0.608 1 1 18 . 1 1 1 A 10 10 VAL CB C 10 34.845 35.837 -0.992 1 1 24 . 1 1 1 A 11 11 ARG N N 11 125.757 127.200 -1.443 1 1 25 . 1 1 1 A 11 11 ARG H H 11 8.546 8.630 -0.084 1 1 26 . 1 1 1 A 11 11 ARG CA C 11 55.966 54.997 0.969 1 1 27 . 1 1 1 A 11 11 ARG HA H 11 4.463 4.758 -0.295 1 1 28 . 1 1 1 A 11 11 ARG CB C 11 30.834 32.170 -1.336 1 1 37 . 1 1 1 A 12 12 VAL CA C 12 62.370 62.882 -0.512 1 1 38 . 1 1 1 A 12 12 VAL HA H 12 4.205 4.050 0.155 1 1 39 . 1 1 1 A 12 12 VAL CB C 12 32.571 31.047 1.524 1 1 48 . 1 1 1 A 13 13 GLY N N 13 113.294 114.459 -1.165 1 1 49 . 1 1 1 A 13 13 GLY H H 13 8.608 8.472 0.136 1 1 50 . 1 1 1 A 13 13 GLY CA C 13 44.973 45.234 -0.261 1 1 51 . 1 1 1 A 13 13 GLY HA3 H 13 4.024 3.885 0.139 1 1 52 . 1 1 1 A 13 13 GLY HA2 H 13 3.891 3.884 0.007 1 1 53 . 1 1 1 A 14 14 GLU N N 14 120.644 118.994 1.650 1 1 54 . 1 1 1 A 14 14 GLU H H 14 8.139 7.466 0.673 1 1 55 . 1 1 1 A 14 14 GLU CA C 14 54.101 53.327 0.774 1 1 56 . 1 1 1 A 14 14 GLU HA H 14 4.626 4.782 -0.156 1 1 57 . 1 1 1 A 14 14 GLU CB C 14 30.026 30.834 -0.808 1 1 63 . 1 1 1 A 15 15 PRO CA C 15 63.731 63.507 0.224 1 1 64 . 1 1 1 A 15 15 PRO HA H 15 4.319 4.375 -0.056 1 1 65 . 1 1 1 A 15 15 PRO CB C 15 31.974 32.473 -0.499 1 1 71 . 1 1 1 A 15 15 PRO C C 15 177.450 178.192 -0.742 1 1 75 . 1 1 1 A 16 16 GLY N N 16 109.768 110.478 -0.710 1 1 76 . 1 1 1 A 16 16 GLY H H 16 8.577 8.545 0.032 1 1 77 . 1 1 1 A 16 16 GLY CA C 16 45.424 46.487 -1.063 1 1 78 . 1 1 1 A 16 16 GLY HA3 H 16 3.804 3.969 -0.165 1 1 79 . 1 1 1 A 16 16 GLY C C 16 174.160 173.431 0.729 1 1 80 . 1 1 1 A 16 16 GLY HA2 H 16 4.086 3.967 0.119 1 1 81 . 1 1 1 A 17 17 GLN N N 17 119.726 122.253 -2.527 1 1 82 . 1 1 1 A 17 17 GLN H H 17 7.868 7.565 0.303 1 1 83 . 1 1 1 A 17 17 GLN CA C 17 55.403 54.565 0.838 1 1 84 . 1 1 1 A 17 17 GLN HA H 17 4.389 4.762 -0.373 1 1 85 . 1 1 1 A 17 17 GLN CB C 17 29.894 31.524 -1.630 1 1 92 . 1 1 1 A 17 17 GLN C C 17 175.290 174.411 0.879 1 1 95 . 1 1 1 A 18 18 ALA N N 18 125.593 127.020 -1.427 1 1 96 . 1 1 1 A 18 18 ALA H H 18 8.469 8.588 -0.119 1 1 97 . 1 1 1 A 18 18 ALA CA C 18 52.389 51.970 0.419 1 1 98 . 1 1 1 A 18 18 ALA HA H 18 4.448 4.765 -0.317 1 1 99 . 1 1 1 A 18 18 ALA CB C 18 19.959 22.902 -2.943 1 1 103 . 1 1 1 A 18 18 ALA C C 18 177.464 176.536 0.928 1 1 104 . 1 1 1 A 19 19 GLY N N 19 109.162 109.972 -0.810 1 1 105 . 1 1 1 A 19 19 GLY H H 19 8.294 8.697 -0.403 1 1 106 . 1 1 1 A 19 19 GLY CA C 19 45.270 46.434 -1.164 1 1 107 . 1 1 1 A 19 19 GLY HA3 H 19 3.853 4.107 -0.254 1 1 108 . 1 1 1 A 19 19 GLY C C 19 173.012 173.461 -0.449 1 1 109 . 1 1 1 A 19 19 GLY HA2 H 19 4.207 4.029 0.178 1 1 110 . 1 1 1 A 20 20 ASN N N 20 118.861 123.974 -5.113 1 1 111 . 1 1 1 A 20 20 ASN H H 20 8.479 8.752 -0.273 1 1 112 . 1 1 1 A 20 20 ASN CA C 20 50.128 49.569 0.559 1 1 113 . 1 1 1 A 20 20 ASN HA H 20 5.236 5.341 -0.105 1 1 114 . 1 1 1 A 20 20 ASN CB C 20 39.697 40.073 -0.376 1 1 119 . 1 1 1 A 20 20 ASN C C 20 174.482 174.139 0.343 1 1 121 . 1 1 1 A 21 21 PRO CA C 21 64.588 64.753 -0.165 1 1 122 . 1 1 1 A 21 21 PRO HA H 21 4.312 4.349 -0.037 1 1 123 . 1 1 1 A 21 21 PRO CB C 21 31.950 32.011 -0.061 1 1 129 . 1 1 1 A 21 21 PRO C C 21 177.141 178.193 -1.052 1 1 133 . 1 1 1 A 22 22 ALA N N 22 118.898 119.380 -0.482 1 1 134 . 1 1 1 A 22 22 ALA H H 22 7.918 8.015 -0.097 1 1 135 . 1 1 1 A 22 22 ALA CA C 22 53.499 55.281 -1.782 1 1 136 . 1 1 1 A 22 22 ALA HA H 22 4.386 4.075 0.311 1 1 137 . 1 1 1 A 22 22 ALA CB C 22 18.288 18.189 0.099 1 1 141 . 1 1 1 A 22 22 ALA C C 22 178.115 180.362 -2.247 1 1 142 . 1 1 1 A 23 23 LEU N N 23 116.219 117.692 -1.473 1 1 143 . 1 1 1 A 23 23 LEU H H 23 7.696 8.063 -0.367 1 1 144 . 1 1 1 A 23 23 LEU CA C 23 53.851 57.900 -4.049 1 1 145 . 1 1 1 A 23 23 LEU HA H 23 4.475 3.970 0.505 1 1 146 . 1 1 1 A 23 23 LEU CB C 23 41.958 41.673 0.285 1 1 158 . 1 1 1 A 23 23 LEU C C 23 176.653 177.858 -1.205 1 1 160 . 1 1 1 A 24 24 VAL N N 24 122.233 120.029 2.204 1 1 161 . 1 1 1 A 24 24 VAL H H 24 7.207 7.451 -0.244 1 1 162 . 1 1 1 A 24 24 VAL CA C 24 62.768 63.183 -0.415 1 1 163 . 1 1 1 A 24 24 VAL HA H 24 4.081 3.902 0.179 1 1 164 . 1 1 1 A 24 24 VAL CB C 24 32.408 31.508 0.900 1 1 174 . 1 1 1 A 24 24 VAL C C 24 174.702 175.941 -1.239 1 1 175 . 1 1 1 A 25 25 SER N N 25 120.181 124.139 -3.958 1 1 176 . 1 1 1 A 25 25 SER H H 25 8.109 8.610 -0.501 1 1 177 . 1 1 1 A 25 25 SER CA C 25 56.489 57.321 -0.832 1 1 178 . 1 1 1 A 25 25 SER HA H 25 5.159 5.486 -0.327 1 1 179 . 1 1 1 A 25 25 SER CB C 25 66.443 66.489 -0.046 1 1 181 . 1 1 1 A 25 25 SER C C 25 172.102 172.871 -0.769 1 1 183 . 1 1 1 A 26 26 ALA N N 26 124.850 124.134 0.716 1 1 184 . 1 1 1 A 26 26 ALA H H 26 8.839 8.904 -0.065 1 1 185 . 1 1 1 A 26 26 ALA CA C 26 50.395 51.019 -0.624 1 1 186 . 1 1 1 A 26 26 ALA HA H 26 5.796 5.166 0.630 1 1 187 . 1 1 1 A 26 26 ALA CB C 26 22.868 22.663 0.205 1 1 191 . 1 1 1 A 26 26 ALA C C 26 175.694 175.449 0.245 1 1 192 . 1 1 1 A 27 27 TYR N N 27 117.541 117.485 0.056 1 1 193 . 1 1 1 A 27 27 TYR H H 27 8.831 8.400 0.431 1 1 194 . 1 1 1 A 27 27 TYR CA C 27 56.610 55.864 0.746 1 1 195 . 1 1 1 A 27 27 TYR HA H 27 4.851 5.268 -0.417 1 1 196 . 1 1 1 A 27 27 TYR CB C 27 39.737 41.547 -1.810 1 1 206 . 1 1 1 A 27 27 TYR C C 27 173.299 173.940 -0.641 1 1 208 . 1 1 1 A 28 28 GLY N N 28 108.355 106.392 1.963 1 1 209 . 1 1 1 A 28 28 GLY H H 28 8.788 8.481 0.307 1 1 210 . 1 1 1 A 28 28 GLY CA C 28 44.056 45.865 -1.809 1 1 211 . 1 1 1 A 28 28 GLY HA3 H 28 4.304 4.373 -0.069 1 1 212 . 1 1 1 A 28 28 GLY C C 28 176.208 173.876 2.332 1 1 213 . 1 1 1 A 28 28 GLY HA2 H 28 5.047 4.316 0.731 1 1 214 . 1 1 1 A 29 29 THR N N 29 115.659 115.316 0.343 1 1 215 . 1 1 1 A 29 29 THR H H 29 9.027 8.014 1.013 1 1 216 . 1 1 1 A 29 29 THR CA C 29 65.419 62.833 2.586 1 1 217 . 1 1 1 A 29 29 THR HA H 29 4.171 4.382 -0.211 1 1 218 . 1 1 1 A 29 29 THR CB C 29 68.659 69.913 -1.254 1 1 224 . 1 1 1 A 29 29 THR C C 29 178.141 176.374 1.767 1 1 225 . 1 1 1 A 30 30 GLY N N 30 107.400 108.492 -1.092 1 1 226 . 1 1 1 A 30 30 GLY H H 30 8.747 8.531 0.216 1 1 227 . 1 1 1 A 30 30 GLY CA C 30 46.719 47.026 -0.307 1 1 228 . 1 1 1 A 30 30 GLY HA3 H 30 3.556 3.715 -0.159 1 1 229 . 1 1 1 A 30 30 GLY C C 30 173.896 175.582 -1.686 1 1 230 . 1 1 1 A 30 30 GLY HA2 H 30 4.483 3.648 0.835 1 1 231 . 1 1 1 A 31 31 LEU N N 31 118.075 122.755 -4.680 1 1 232 . 1 1 1 A 31 31 LEU H H 31 7.389 8.034 -0.645 1 1 233 . 1 1 1 A 31 31 LEU CA C 31 55.799 57.258 -1.459 1 1 234 . 1 1 1 A 31 31 LEU HA H 31 3.778 4.028 -0.250 1 1 235 . 1 1 1 A 31 31 LEU CB C 31 41.564 41.666 -0.102 1 1 247 . 1 1 1 A 31 31 LEU C C 31 176.045 178.509 -2.464 1 1 249 . 1 1 1 A 32 32 GLU N N 32 112.872 117.404 -4.532 1 1 250 . 1 1 1 A 32 32 GLU H H 32 7.509 7.969 -0.460 1 1 251 . 1 1 1 A 32 32 GLU CA C 32 56.330 58.914 -2.584 1 1 252 . 1 1 1 A 32 32 GLU HA H 32 4.717 4.051 0.666 1 1 253 . 1 1 1 A 32 32 GLU CB C 32 31.924 30.193 1.731 1 1 257 . 1 1 1 A 32 32 GLU C C 32 177.958 176.780 1.178 1 1 260 . 1 1 1 A 33 33 GLY N N 33 107.880 104.247 3.633 1 1 261 . 1 1 1 A 33 33 GLY H H 33 7.822 7.396 0.426 1 1 262 . 1 1 1 A 33 33 GLY CA C 33 45.568 45.826 -0.258 1 1 263 . 1 1 1 A 33 33 GLY HA3 H 33 4.125 4.074 0.051 1 1 264 . 1 1 1 A 33 33 GLY C C 33 172.046 171.882 0.164 1 1 265 . 1 1 1 A 33 33 GLY HA2 H 33 4.661 4.065 0.596 1 1 266 . 1 1 1 A 34 34 GLY N N 34 105.841 108.447 -2.606 1 1 267 . 1 1 1 A 34 34 GLY H H 34 7.740 8.452 -0.712 1 1 268 . 1 1 1 A 34 34 GLY CA C 34 45.215 45.175 0.040 1 1 269 . 1 1 1 A 34 34 GLY HA3 H 34 3.988 4.173 -0.185 1 1 270 . 1 1 1 A 34 34 GLY C C 34 171.280 172.472 -1.192 1 1 271 . 1 1 1 A 34 34 GLY HA2 H 34 4.030 4.136 -0.106 1 1 272 . 1 1 1 A 35 35 THR N N 35 119.173 121.446 -2.273 1 1 273 . 1 1 1 A 35 35 THR H H 35 9.363 9.290 0.073 1 1 274 . 1 1 1 A 35 35 THR CA C 35 60.844 61.550 -0.706 1 1 275 . 1 1 1 A 35 35 THR HA H 35 5.177 4.866 0.311 1 1 276 . 1 1 1 A 35 35 THR CB C 35 72.095 69.054 3.041 1 1 282 . 1 1 1 A 35 35 THR C C 35 173.460 173.838 -0.378 1 1 283 . 1 1 1 A 36 36 THR N N 36 116.864 123.697 -6.833 1 1 284 . 1 1 1 A 36 36 THR H H 36 8.425 8.544 -0.119 1 1 285 . 1 1 1 A 36 36 THR CA C 36 62.841 64.956 -2.115 1 1 286 . 1 1 1 A 36 36 THR HA H 36 3.701 3.980 -0.279 1 1 287 . 1 1 1 A 36 36 THR CB C 36 68.447 67.996 0.451 1 1 293 . 1 1 1 A 36 36 THR C C 36 175.396 175.552 -0.156 1 1 294 . 1 1 1 A 37 37 GLY N N 37 107.461 114.188 -6.727 1 1 295 . 1 1 1 A 37 37 GLY H H 37 8.548 8.326 0.222 1 1 296 . 1 1 1 A 37 37 GLY CA C 37 45.434 45.014 0.420 1 1 297 . 1 1 1 A 37 37 GLY HA3 H 37 3.386 4.000 -0.614 1 1 298 . 1 1 1 A 37 37 GLY C C 37 172.598 173.662 -1.064 1 1 299 . 1 1 1 A 37 37 GLY HA2 H 37 4.024 3.998 0.026 1 1 300 . 1 1 1 A 38 38 ILE N N 38 122.313 122.412 -0.099 1 1 301 . 1 1 1 A 38 38 ILE H H 38 7.871 7.668 0.203 1 1 302 . 1 1 1 A 38 38 ILE CA C 38 58.566 59.576 -1.010 1 1 303 . 1 1 1 A 38 38 ILE HA H 38 4.274 4.466 -0.192 1 1 304 . 1 1 1 A 38 38 ILE CB C 38 38.476 40.141 -1.665 1 1 316 . 1 1 1 A 38 38 ILE C C 38 175.081 174.382 0.699 1 1 318 . 1 1 1 A 39 39 GLN N N 39 127.942 126.659 1.283 1 1 319 . 1 1 1 A 39 39 GLN H H 39 8.487 8.632 -0.145 1 1 320 . 1 1 1 A 39 39 GLN CA C 39 57.394 54.582 2.812 1 1 321 . 1 1 1 A 39 39 GLN HA H 39 4.312 4.891 -0.579 1 1 322 . 1 1 1 A 39 39 GLN CB C 39 31.057 29.762 1.295 1 1 329 . 1 1 1 A 39 39 GLN C C 39 176.011 175.392 0.619 1 1 332 . 1 1 1 A 40 40 SER N N 40 125.784 118.954 6.830 1 1 333 . 1 1 1 A 40 40 SER H H 40 9.167 7.851 1.316 1 1 334 . 1 1 1 A 40 40 SER CA C 40 58.188 55.909 2.279 1 1 335 . 1 1 1 A 40 40 SER HA H 40 4.633 5.144 -0.511 1 1 336 . 1 1 1 A 40 40 SER CB C 40 66.149 65.601 0.548 1 1 338 . 1 1 1 A 40 40 SER C C 40 172.625 173.965 -1.340 1 1 340 . 1 1 1 A 41 41 GLU N N 41 117.679 118.739 -1.060 1 1 341 . 1 1 1 A 41 41 GLU H H 41 8.773 9.056 -0.283 1 1 342 . 1 1 1 A 41 41 GLU CA C 41 54.060 54.416 -0.356 1 1 343 . 1 1 1 A 41 41 GLU HA H 41 5.629 5.166 0.463 1 1 344 . 1 1 1 A 41 41 GLU CB C 41 34.053 33.538 0.515 1 1 348 . 1 1 1 A 41 41 GLU C C 41 175.607 174.455 1.152 1 1 351 . 1 1 1 A 42 42 PHE N N 42 116.557 117.113 -0.556 1 1 352 . 1 1 1 A 42 42 PHE H H 42 8.753 7.963 0.790 1 1 353 . 1 1 1 A 42 42 PHE CA C 42 56.847 55.568 1.279 1 1 354 . 1 1 1 A 42 42 PHE HA H 42 4.743 5.234 -0.491 1 1 355 . 1 1 1 A 42 42 PHE CB C 42 40.908 42.338 -1.430 1 1 367 . 1 1 1 A 42 42 PHE C C 42 170.204 172.552 -2.348 1 1 369 . 1 1 1 A 43 43 PHE N N 43 118.643 119.996 -1.353 1 1 370 . 1 1 1 A 43 43 PHE H H 43 9.234 8.696 0.538 1 1 371 . 1 1 1 A 43 43 PHE CA C 43 57.292 57.624 -0.332 1 1 372 . 1 1 1 A 43 43 PHE HA H 43 5.041 4.697 0.344 1 1 373 . 1 1 1 A 43 43 PHE CB C 43 42.583 40.038 2.545 1 1 385 . 1 1 1 A 43 43 PHE C C 43 174.177 175.528 -1.351 1 1 387 . 1 1 1 A 44 44 ILE N N 44 120.124 121.084 -0.960 1 1 388 . 1 1 1 A 44 44 ILE H H 44 8.876 9.007 -0.131 1 1 389 . 1 1 1 A 44 44 ILE CA C 44 59.698 60.373 -0.675 1 1 390 . 1 1 1 A 44 44 ILE HA H 44 4.717 4.654 0.063 1 1 391 . 1 1 1 A 44 44 ILE CB C 44 40.591 39.494 1.097 1 1 403 . 1 1 1 A 44 44 ILE C C 44 174.483 175.357 -0.874 1 1 405 . 1 1 1 A 45 45 ASN N N 45 127.058 126.820 0.238 1 1 406 . 1 1 1 A 45 45 ASN H H 45 9.553 8.992 0.561 1 1 407 . 1 1 1 A 45 45 ASN CA C 45 52.099 52.995 -0.896 1 1 408 . 1 1 1 A 45 45 ASN HA H 45 5.380 4.922 0.458 1 1 409 . 1 1 1 A 45 45 ASN CB C 45 39.596 38.659 0.937 1 1 414 . 1 1 1 A 45 45 ASN C C 45 176.821 175.794 1.027 1 1 416 . 1 1 1 A 46 46 THR H H 46 9.223 8.410 0.813 1 1 417 . 1 1 1 A 46 46 THR CA C 46 61.534 60.590 0.944 1 1 418 . 1 1 1 A 46 46 THR HA H 46 4.368 4.707 -0.339 1 1 419 . 1 1 1 A 46 46 THR CB C 46 68.352 68.757 -0.405 1 1 425 . 1 1 1 A 46 46 THR C C 46 176.816 175.322 1.494 1 1 426 . 1 1 1 A 47 47 THR N N 47 116.732 116.305 0.427 1 1 427 . 1 1 1 A 47 47 THR H H 47 8.368 8.142 0.226 1 1 428 . 1 1 1 A 47 47 THR CA C 47 65.916 65.443 0.473 1 1 429 . 1 1 1 A 47 47 THR HA H 47 4.032 4.051 -0.019 1 1 430 . 1 1 1 A 47 47 THR CB C 47 69.870 68.628 1.242 1 1 436 . 1 1 1 A 47 47 THR C C 47 176.865 177.283 -0.418 1 1 437 . 1 1 1 A 48 48 ARG N N 48 119.205 121.656 -2.451 1 1 438 . 1 1 1 A 48 48 ARG H H 48 8.785 7.560 1.225 1 1 439 . 1 1 1 A 48 48 ARG CA C 48 56.273 59.448 -3.175 1 1 440 . 1 1 1 A 48 48 ARG HA H 48 4.488 4.020 0.468 1 1 441 . 1 1 1 A 48 48 ARG CB C 48 30.862 29.711 1.151 1 1 447 . 1 1 1 A 48 48 ARG C C 48 176.314 179.011 -2.697 1 1 451 . 1 1 1 A 49 49 ALA N N 49 120.807 120.684 0.123 1 1 452 . 1 1 1 A 49 49 ALA H H 49 7.440 7.747 -0.307 1 1 453 . 1 1 1 A 49 49 ALA CA C 49 53.138 54.154 -1.016 1 1 454 . 1 1 1 A 49 49 ALA HA H 49 4.341 4.088 0.253 1 1 455 . 1 1 1 A 49 49 ALA CB C 49 22.427 19.340 3.087 1 1 459 . 1 1 1 A 49 49 ALA C C 49 177.914 177.838 0.076 1 1 460 . 1 1 1 A 50 50 GLY N N 50 105.941 103.092 2.849 1 1 461 . 1 1 1 A 50 50 GLY H H 50 7.924 7.039 0.885 1 1 462 . 1 1 1 A 50 50 GLY CA C 50 44.229 44.488 -0.259 1 1 463 . 1 1 1 A 50 50 GLY HA3 H 50 4.325 4.150 0.175 1 1 464 . 1 1 1 A 50 50 GLY C C 50 171.089 173.909 -2.820 1 1 465 . 1 1 1 A 50 50 GLY HA2 H 50 3.948 4.095 -0.147 1 1 466 . 1 1 1 A 51 51 PRO CA C 51 63.140 63.625 -0.485 1 1 467 . 1 1 1 A 51 51 PRO HA H 51 4.588 4.599 -0.011 1 1 468 . 1 1 1 A 51 51 PRO CB C 51 33.004 31.931 1.073 1 1 477 . 1 1 1 A 52 52 GLY CA C 52 45.195 45.299 -0.104 1 1 478 . 1 1 1 A 52 52 GLY HA3 H 52 3.275 4.078 -0.803 1 1 479 . 1 1 1 A 52 52 GLY HA2 H 52 3.852 4.053 -0.201 1 1 480 . 1 1 1 A 53 53 THR N N 53 114.003 114.272 -0.269 1 1 481 . 1 1 1 A 53 53 THR H H 53 8.049 8.344 -0.295 1 1 482 . 1 1 1 A 53 53 THR CA C 53 62.352 62.430 -0.078 1 1 483 . 1 1 1 A 53 53 THR HA H 53 4.436 4.608 -0.172 1 1 484 . 1 1 1 A 53 53 THR CB C 53 69.631 69.778 -0.147 1 1 490 . 1 1 1 A 54 54 LEU CA C 54 53.891 53.296 0.595 1 1 491 . 1 1 1 A 54 54 LEU HA H 54 5.077 5.270 -0.193 1 1 492 . 1 1 1 A 54 54 LEU CB C 54 44.515 46.357 -1.842 1 1 503 . 1 1 1 A 55 55 SER N N 55 120.726 115.419 5.307 1 1 504 . 1 1 1 A 55 55 SER H H 55 8.783 8.520 0.263 1 1 505 . 1 1 1 A 55 55 SER CA C 55 56.249 57.501 -1.252 1 1 506 . 1 1 1 A 55 55 SER HA H 55 5.092 5.288 -0.196 1 1 507 . 1 1 1 A 55 55 SER CB C 55 65.032 66.140 -1.108 1 1 509 . 1 1 1 A 55 55 SER C C 55 173.165 173.294 -0.129 1 1 511 . 1 1 1 A 56 56 VAL N N 56 126.234 120.970 5.264 1 1 512 . 1 1 1 A 56 56 VAL H H 56 8.336 8.775 -0.439 1 1 513 . 1 1 1 A 56 56 VAL CA C 56 60.515 60.446 0.069 1 1 514 . 1 1 1 A 56 56 VAL HA H 56 5.134 4.983 0.151 1 1 515 . 1 1 1 A 56 56 VAL CB C 56 34.463 35.077 -0.614 1 1 520 . 1 1 1 A 56 56 VAL C C 56 174.718 174.077 0.641 1 1 521 . 1 1 1 A 57 57 THR N N 57 120.539 123.320 -2.781 1 1 522 . 1 1 1 A 57 57 THR H H 57 8.828 8.654 0.174 1 1 523 . 1 1 1 A 57 57 THR CA C 57 60.580 61.702 -1.122 1 1 524 . 1 1 1 A 57 57 THR HA H 57 5.132 5.239 -0.107 1 1 525 . 1 1 1 A 57 57 THR CB C 57 72.187 72.103 0.084 1 1 531 . 1 1 1 A 57 57 THR C C 57 172.970 173.503 -0.533 1 1 532 . 1 1 1 A 58 58 ILE N N 58 123.949 125.660 -1.711 1 1 533 . 1 1 1 A 58 58 ILE H H 58 9.249 8.819 0.430 1 1 534 . 1 1 1 A 58 58 ILE CA C 58 61.297 59.902 1.395 1 1 535 . 1 1 1 A 58 58 ILE HA H 58 5.001 5.227 -0.226 1 1 536 . 1 1 1 A 58 58 ILE CB C 58 39.755 40.758 -1.003 1 1 548 . 1 1 1 A 58 58 ILE C C 58 174.848 174.780 0.068 1 1 550 . 1 1 1 A 59 59 GLU N N 59 129.027 125.170 3.857 1 1 551 . 1 1 1 A 59 59 GLU H H 59 8.966 9.106 -0.140 1 1 552 . 1 1 1 A 59 59 GLU CA C 59 53.911 54.763 -0.852 1 1 553 . 1 1 1 A 59 59 GLU HA H 59 5.427 5.031 0.396 1 1 554 . 1 1 1 A 59 59 GLU CB C 59 33.843 32.572 1.271 1 1 558 . 1 1 1 A 59 59 GLU C C 59 175.342 175.373 -0.031 1 1 561 . 1 1 1 A 60 60 GLY N N 60 110.765 108.802 1.963 1 1 562 . 1 1 1 A 60 60 GLY H H 60 8.597 8.249 0.348 1 1 563 . 1 1 1 A 60 60 GLY CA C 60 45.997 44.208 1.789 1 1 564 . 1 1 1 A 60 60 GLY HA3 H 60 3.908 3.862 0.046 1 1 565 . 1 1 1 A 60 60 GLY C C 60 171.205 173.807 -2.602 1 1 566 . 1 1 1 A 60 60 GLY HA2 H 60 3.685 3.415 0.270 1 1 567 . 1 1 1 A 61 61 PRO CA C 61 64.057 63.838 0.219 1 1 568 . 1 1 1 A 61 61 PRO HA H 61 4.415 4.366 0.049 1 1 569 . 1 1 1 A 61 61 PRO CB C 61 32.143 31.950 0.193 1 1 575 . 1 1 1 A 61 61 PRO C C 61 175.925 176.431 -0.506 1 1 579 . 1 1 1 A 62 62 SER N N 62 108.413 114.240 -5.827 1 1 580 . 1 1 1 A 62 62 SER H H 62 7.144 7.646 -0.502 1 1 581 . 1 1 1 A 62 62 SER CA C 62 57.037 58.103 -1.066 1 1 582 . 1 1 1 A 62 62 SER HA H 62 4.596 4.924 -0.328 1 1 583 . 1 1 1 A 62 62 SER CB C 62 66.522 65.453 1.069 1 1 585 . 1 1 1 A 62 62 SER C C 62 172.446 173.687 -1.241 1 1 587 . 1 1 1 A 63 63 LYS N N 63 122.539 126.174 -3.635 1 1 588 . 1 1 1 A 63 63 LYS H H 63 8.620 8.647 -0.027 1 1 589 . 1 1 1 A 63 63 LYS CA C 63 56.407 57.382 -0.975 1 1 590 . 1 1 1 A 63 63 LYS HA H 63 4.267 4.495 -0.228 1 1 591 . 1 1 1 A 63 63 LYS CB C 63 32.576 33.494 -0.918 1 1 596 . 1 1 1 A 63 63 LYS C C 63 176.658 176.452 0.206 1 1 601 . 1 1 1 A 64 64 VAL N N 64 120.278 118.146 2.132 1 1 602 . 1 1 1 A 64 64 VAL H H 64 8.554 8.703 -0.149 1 1 603 . 1 1 1 A 64 64 VAL CA C 64 60.425 59.221 1.204 1 1 604 . 1 1 1 A 64 64 VAL HA H 64 4.460 4.785 -0.325 1 1 605 . 1 1 1 A 64 64 VAL CB C 64 32.938 35.797 -2.859 1 1 615 . 1 1 1 A 64 64 VAL C C 64 176.629 174.317 2.312 1 1 616 . 1 1 1 A 65 65 LYS N N 65 121.529 125.874 -4.345 1 1 617 . 1 1 1 A 65 65 LYS H H 65 8.139 8.413 -0.274 1 1 618 . 1 1 1 A 65 65 LYS CA C 65 56.181 56.469 -0.288 1 1 619 . 1 1 1 A 65 65 LYS HA H 65 4.474 4.435 0.039 1 1 620 . 1 1 1 A 65 65 LYS CB C 65 32.960 32.648 0.312 1 1 627 . 1 1 1 A 65 65 LYS C C 65 176.309 175.178 1.131 1 1 632 . 1 1 1 A 66 66 MET N N 66 125.382 126.631 -1.249 1 1 633 . 1 1 1 A 66 66 MET H H 66 8.811 8.223 0.588 1 1 634 . 1 1 1 A 66 66 MET CA C 66 55.055 54.379 0.676 1 1 635 . 1 1 1 A 66 66 MET HA H 66 5.393 4.923 0.470 1 1 636 . 1 1 1 A 66 66 MET CB C 66 37.398 32.132 5.266 1 1 644 . 1 1 1 A 66 66 MET C C 66 174.026 175.736 -1.710 1 1 647 . 1 1 1 A 67 67 ASP N N 67 122.714 122.266 0.448 1 1 648 . 1 1 1 A 67 67 ASP H H 67 8.995 8.618 0.377 1 1 649 . 1 1 1 A 67 67 ASP CA C 67 53.231 52.783 0.448 1 1 650 . 1 1 1 A 67 67 ASP HA H 67 4.854 5.465 -0.611 1 1 651 . 1 1 1 A 67 67 ASP CB C 67 44.980 44.737 0.243 1 1 654 . 1 1 1 A 68 68 CYS H H 68 8.412 8.906 -0.494 1 1 655 . 1 1 1 A 68 68 CYS CA C 68 56.390 57.721 -1.331 1 1 656 . 1 1 1 A 68 68 CYS HA H 68 5.288 5.212 0.076 1 1 657 . 1 1 1 A 68 68 CYS CB C 68 28.188 30.427 -2.239 1 1 660 . 1 1 1 A 69 69 GLN N N 69 125.044 126.455 -1.411 1 1 661 . 1 1 1 A 69 69 GLN H H 69 9.116 8.557 0.559 1 1 662 . 1 1 1 A 69 69 GLN CA C 69 56.403 53.890 2.513 1 1 663 . 1 1 1 A 69 69 GLN HA H 69 5.290 5.035 0.255 1 1 664 . 1 1 1 A 69 69 GLN CB C 69 32.962 32.440 0.522 1 1 671 . 1 1 1 A 70 70 GLU N N 70 125.781 125.336 0.445 1 1 672 . 1 1 1 A 70 70 GLU H H 70 8.979 8.605 0.374 1 1 673 . 1 1 1 A 70 70 GLU CA C 70 56.418 56.121 0.297 1 1 674 . 1 1 1 A 70 70 GLU HA H 70 4.029 4.805 -0.776 1 1 675 . 1 1 1 A 70 70 GLU CB C 70 30.585 30.493 0.092 1 1 681 . 1 1 1 A 71 71 THR N N 71 118.158 118.231 -0.073 1 1 682 . 1 1 1 A 71 71 THR H H 71 8.455 7.899 0.556 1 1 683 . 1 1 1 A 71 71 THR CA C 71 59.209 58.461 0.748 1 1 684 . 1 1 1 A 71 71 THR HA H 71 4.902 5.005 -0.103 1 1 685 . 1 1 1 A 71 71 THR CB C 71 68.926 69.677 -0.751 1 1 691 . 1 1 1 A 72 72 PRO CA C 72 65.290 64.485 0.805 1 1 692 . 1 1 1 A 72 72 PRO HA H 72 4.296 4.482 -0.186 1 1 693 . 1 1 1 A 72 72 PRO CB C 72 31.848 31.697 0.151 1 1 699 . 1 1 1 A 72 72 PRO C C 72 177.476 177.640 -0.164 1 1 703 . 1 1 1 A 73 73 GLU N N 73 112.293 117.896 -5.603 1 1 704 . 1 1 1 A 73 73 GLU H H 73 7.562 8.311 -0.749 1 1 705 . 1 1 1 A 73 73 GLU CA C 73 55.577 57.013 -1.436 1 1 706 . 1 1 1 A 73 73 GLU HA H 73 4.370 4.336 0.034 1 1 707 . 1 1 1 A 73 73 GLU CB C 73 30.787 30.861 -0.074 1 1 711 . 1 1 1 A 73 73 GLU C C 73 174.438 176.114 -1.676 1 1 714 . 1 1 1 A 74 74 GLY N N 74 109.223 107.140 2.083 1 1 715 . 1 1 1 A 74 74 GLY H H 74 7.324 7.137 0.187 1 1 716 . 1 1 1 A 74 74 GLY CA C 74 47.146 45.731 1.415 1 1 717 . 1 1 1 A 74 74 GLY HA3 H 74 3.551 3.980 -0.429 1 1 718 . 1 1 1 A 74 74 GLY C C 74 172.589 171.153 1.436 1 1 719 . 1 1 1 A 74 74 GLY HA2 H 74 4.949 3.740 1.209 1 1 720 . 1 1 1 A 75 75 TYR N N 75 123.117 120.356 2.761 1 1 721 . 1 1 1 A 75 75 TYR H H 75 8.883 8.444 0.439 1 1 722 . 1 1 1 A 75 75 TYR CA C 75 57.566 56.450 1.116 1 1 723 . 1 1 1 A 75 75 TYR HA H 75 5.171 5.358 -0.187 1 1 724 . 1 1 1 A 75 75 TYR CB C 75 44.111 42.621 1.490 1 1 734 . 1 1 1 A 75 75 TYR C C 75 173.925 174.457 -0.532 1 1 736 . 1 1 1 A 76 76 LYS N N 76 124.633 124.957 -0.324 1 1 737 . 1 1 1 A 76 76 LYS H H 76 9.390 8.532 0.858 1 1 738 . 1 1 1 A 76 76 LYS CA C 76 55.055 55.624 -0.569 1 1 739 . 1 1 1 A 76 76 LYS HA H 76 4.594 4.673 -0.079 1 1 740 . 1 1 1 A 76 76 LYS CB C 76 35.124 33.614 1.510 1 1 748 . 1 1 1 A 76 76 LYS C C 76 174.069 174.883 -0.814 1 1 753 . 1 1 1 A 77 77 VAL N N 77 126.947 125.825 1.122 1 1 754 . 1 1 1 A 77 77 VAL H H 77 8.607 7.800 0.807 1 1 755 . 1 1 1 A 77 77 VAL CA C 77 60.894 60.747 0.147 1 1 756 . 1 1 1 A 77 77 VAL HA H 77 4.280 4.719 -0.439 1 1 757 . 1 1 1 A 77 77 VAL CB C 77 32.115 33.954 -1.839 1 1 767 . 1 1 1 A 77 77 VAL C C 77 173.586 174.356 -0.770 1 1 768 . 1 1 1 A 78 78 MET N N 78 123.986 125.131 -1.145 1 1 769 . 1 1 1 A 78 78 MET H H 78 8.410 8.563 -0.153 1 1 770 . 1 1 1 A 78 78 MET CA C 78 53.236 53.842 -0.606 1 1 771 . 1 1 1 A 78 78 MET HA H 78 5.290 5.311 -0.021 1 1 772 . 1 1 1 A 78 78 MET CB C 78 36.873 34.664 2.209 1 1 780 . 1 1 1 A 78 78 MET C C 78 174.665 174.517 0.148 1 1 783 . 1 1 1 A 79 79 TYR N N 79 117.488 119.796 -2.308 1 1 784 . 1 1 1 A 79 79 TYR H H 79 8.739 8.248 0.491 1 1 785 . 1 1 1 A 79 79 TYR CA C 79 56.011 55.732 0.279 1 1 786 . 1 1 1 A 79 79 TYR HA H 79 5.654 5.558 0.096 1 1 787 . 1 1 1 A 79 79 TYR CB C 79 41.549 41.961 -0.412 1 1 797 . 1 1 1 A 79 79 TYR C C 79 172.927 173.380 -0.453 1 1 799 . 1 1 1 A 80 80 THR H H 80 8.383 9.015 -0.632 1 1 800 . 1 1 1 A 80 80 THR CA C 80 58.611 59.059 -0.448 1 1 801 . 1 1 1 A 80 80 THR HA H 80 4.978 4.707 0.271 1 1 802 . 1 1 1 A 80 80 THR CB C 80 70.258 70.513 -0.255 1 1 808 . 1 1 1 A 81 81 PRO CA C 81 61.531 62.853 -1.322 1 1 809 . 1 1 1 A 81 81 PRO HA H 81 4.532 4.802 -0.270 1 1 810 . 1 1 1 A 81 81 PRO CB C 81 32.774 32.706 0.068 1 1 819 . 1 1 1 A 82 82 MET N N 82 117.590 120.786 -3.196 1 1 820 . 1 1 1 A 82 82 MET H H 82 8.299 8.913 -0.614 1 1 821 . 1 1 1 A 82 82 MET CA C 82 53.882 56.349 -2.467 1 1 822 . 1 1 1 A 82 82 MET HA H 82 4.851 4.625 0.226 1 1 823 . 1 1 1 A 82 82 MET CB C 82 33.337 34.817 -1.480 1 1 831 . 1 1 1 A 82 82 MET C C 82 174.339 175.223 -0.884 1 1 834 . 1 1 1 A 83 83 ALA N N 83 119.196 120.322 -1.126 1 1 835 . 1 1 1 A 83 83 ALA H H 83 7.076 7.946 -0.870 1 1 836 . 1 1 1 A 83 83 ALA CA C 83 49.425 49.462 -0.037 1 1 837 . 1 1 1 A 83 83 ALA HA H 83 4.791 4.752 0.039 1 1 838 . 1 1 1 A 83 83 ALA CB C 83 20.682 21.708 -1.026 1 1 842 . 1 1 1 A 83 83 ALA C C 83 174.364 174.701 -0.337 1 1 843 . 1 1 1 A 84 84 PRO CA C 84 62.540 63.320 -0.780 1 1 844 . 1 1 1 A 84 84 PRO HA H 84 4.244 4.453 -0.209 1 1 845 . 1 1 1 A 84 84 PRO CB C 84 32.615 33.272 -0.657 1 1 851 . 1 1 1 A 84 84 PRO C C 84 174.214 176.110 -1.896 1 1 855 . 1 1 1 A 85 85 GLY N N 85 105.436 108.310 -2.874 1 1 856 . 1 1 1 A 85 85 GLY H H 85 8.855 7.872 0.983 1 1 857 . 1 1 1 A 85 85 GLY CA C 85 44.156 44.383 -0.227 1 1 858 . 1 1 1 A 85 85 GLY HA3 H 85 3.761 4.235 -0.474 1 1 859 . 1 1 1 A 85 85 GLY C C 85 171.801 173.403 -1.602 1 1 860 . 1 1 1 A 85 85 GLY HA2 H 85 4.515 4.214 0.301 1 1 861 . 1 1 1 A 86 86 ASN N N 86 119.042 117.156 1.886 1 1 862 . 1 1 1 A 86 86 ASN H H 86 8.573 8.476 0.097 1 1 863 . 1 1 1 A 86 86 ASN CA C 86 52.499 52.246 0.253 1 1 864 . 1 1 1 A 86 86 ASN HA H 86 5.517 5.632 -0.115 1 1 865 . 1 1 1 A 86 86 ASN CB C 86 39.390 39.709 -0.319 1 1 870 . 1 1 1 A 86 86 ASN C C 86 174.453 174.112 0.341 1 1 872 . 1 1 1 A 87 87 TYR N N 87 122.992 121.814 1.178 1 1 873 . 1 1 1 A 87 87 TYR H H 87 9.369 8.855 0.514 1 1 874 . 1 1 1 A 87 87 TYR CA C 87 56.366 56.256 0.110 1 1 875 . 1 1 1 A 87 87 TYR HA H 87 5.140 5.203 -0.063 1 1 876 . 1 1 1 A 87 87 TYR CB C 87 40.267 42.104 -1.837 1 1 886 . 1 1 1 A 87 87 TYR C C 87 174.332 174.315 0.017 1 1 888 . 1 1 1 A 88 88 LEU N N 88 124.720 122.811 1.909 1 1 889 . 1 1 1 A 88 88 LEU H H 88 9.306 8.548 0.758 1 1 890 . 1 1 1 A 88 88 LEU CA C 88 53.426 53.716 -0.290 1 1 891 . 1 1 1 A 88 88 LEU HA H 88 5.253 5.348 -0.095 1 1 892 . 1 1 1 A 88 88 LEU CB C 88 44.487 45.978 -1.491 1 1 904 . 1 1 1 A 88 88 LEU C C 88 177.074 174.532 2.542 1 1 906 . 1 1 1 A 89 89 ILE N N 89 130.469 127.171 3.298 1 1 907 . 1 1 1 A 89 89 ILE H H 89 9.807 8.911 0.896 1 1 908 . 1 1 1 A 89 89 ILE CA C 89 60.792 60.231 0.561 1 1 909 . 1 1 1 A 89 89 ILE HA H 89 4.851 4.862 -0.011 1 1 910 . 1 1 1 A 89 89 ILE CB C 89 39.662 40.021 -0.359 1 1 922 . 1 1 1 A 89 89 ILE C C 89 175.605 174.918 0.687 1 1 924 . 1 1 1 A 90 90 SER N N 90 123.845 124.270 -0.425 1 1 925 . 1 1 1 A 90 90 SER H H 90 9.540 8.999 0.541 1 1 926 . 1 1 1 A 90 90 SER CA C 90 58.036 58.195 -0.159 1 1 927 . 1 1 1 A 90 90 SER HA H 90 5.199 4.996 0.203 1 1 928 . 1 1 1 A 90 90 SER CB C 90 64.133 64.580 -0.447 1 1 930 . 1 1 1 A 90 90 SER C C 90 173.566 173.414 0.152 1 1 932 . 1 1 1 A 91 91 VAL N N 91 128.427 124.902 3.525 1 1 933 . 1 1 1 A 91 91 VAL H H 91 9.918 8.627 1.291 1 1 934 . 1 1 1 A 91 91 VAL CA C 91 61.447 61.815 -0.368 1 1 935 . 1 1 1 A 91 91 VAL HA H 91 4.837 4.650 0.187 1 1 936 . 1 1 1 A 91 91 VAL CB C 91 33.761 34.397 -0.636 1 1 946 . 1 1 1 A 91 91 VAL C C 91 173.296 174.575 -1.279 1 1 947 . 1 1 1 A 92 92 LYS N N 92 125.779 126.987 -1.208 1 1 948 . 1 1 1 A 92 92 LYS H H 92 8.892 8.482 0.410 1 1 949 . 1 1 1 A 92 92 LYS CA C 92 54.468 54.937 -0.469 1 1 950 . 1 1 1 A 92 92 LYS HA H 92 5.065 5.128 -0.063 1 1 951 . 1 1 1 A 92 92 LYS CB C 92 36.106 35.228 0.878 1 1 959 . 1 1 1 A 92 92 LYS C C 92 175.189 175.617 -0.428 1 1 964 . 1 1 1 A 93 93 TYR N N 93 120.251 124.297 -4.046 1 1 965 . 1 1 1 A 93 93 TYR H H 93 8.061 9.079 -1.018 1 1 966 . 1 1 1 A 93 93 TYR CA C 93 56.884 57.428 -0.544 1 1 967 . 1 1 1 A 93 93 TYR HA H 93 5.522 4.943 0.579 1 1 968 . 1 1 1 A 93 93 TYR CB C 93 44.120 41.604 2.516 1 1 978 . 1 1 1 A 93 93 TYR C C 93 175.517 175.468 0.049 1 1 980 . 1 1 1 A 94 94 GLY N N 94 114.148 114.846 -0.698 1 1 981 . 1 1 1 A 94 94 GLY H H 94 8.274 8.344 -0.070 1 1 982 . 1 1 1 A 94 94 GLY CA C 94 45.959 45.222 0.737 1 1 983 . 1 1 1 A 94 94 GLY HA3 H 94 3.705 3.769 -0.064 1 1 984 . 1 1 1 A 94 94 GLY C C 94 173.595 173.788 -0.193 1 1 985 . 1 1 1 A 94 94 GLY HA2 H 94 3.877 3.703 0.174 1 1 986 . 1 1 1 A 95 95 GLY N N 95 107.010 107.843 -0.833 1 1 987 . 1 1 1 A 95 95 GLY H H 95 7.452 7.753 -0.301 1 1 988 . 1 1 1 A 95 95 GLY CA C 95 43.954 45.166 -1.212 1 1 989 . 1 1 1 A 95 95 GLY HA3 H 95 3.618 4.084 -0.466 1 1 990 . 1 1 1 A 95 95 GLY C C 95 172.825 174.285 -1.460 1 1 991 . 1 1 1 A 95 95 GLY HA2 H 95 4.507 4.077 0.430 1 1 992 . 1 1 1 A 96 96 PRO CA C 96 63.221 64.052 -0.831 1 1 993 . 1 1 1 A 96 96 PRO HA H 96 4.413 4.478 -0.065 1 1 994 . 1 1 1 A 96 96 PRO CB C 96 30.955 31.756 -0.801 1 1 1000 . 1 1 1 A 96 96 PRO C C 96 175.901 176.295 -0.394 1 1 1004 . 1 1 1 A 97 97 ASN N N 97 119.942 117.915 2.027 1 1 1005 . 1 1 1 A 97 97 ASN H H 97 8.172 8.071 0.101 1 1 1006 . 1 1 1 A 97 97 ASN CA C 97 52.914 53.477 -0.563 1 1 1007 . 1 1 1 A 97 97 ASN HA H 97 4.864 4.564 0.300 1 1 1008 . 1 1 1 A 97 97 ASN CB C 97 39.806 39.257 0.549 1 1 1013 . 1 1 1 A 97 97 ASN C C 97 174.285 175.322 -1.037 1 1 1015 . 1 1 1 A 98 98 HIS N N 98 121.803 120.724 1.079 1 1 1016 . 1 1 1 A 98 98 HIS H H 98 8.456 8.087 0.369 1 1 1017 . 1 1 1 A 98 98 HIS CA C 98 58.023 54.750 3.273 1 1 1018 . 1 1 1 A 98 98 HIS HA H 98 4.475 4.890 -0.415 1 1 1019 . 1 1 1 A 98 98 HIS CB C 98 33.382 31.327 2.055 1 1 1025 . 1 1 1 A 98 98 HIS C C 98 177.938 175.504 2.434 1 1 1027 . 1 1 1 A 99 99 ILE N N 99 115.599 116.412 -0.813 1 1 1028 . 1 1 1 A 99 99 ILE H H 99 8.237 8.078 0.159 1 1 1029 . 1 1 1 A 99 99 ILE CA C 99 60.895 59.843 1.052 1 1 1030 . 1 1 1 A 99 99 ILE HA H 99 4.545 4.325 0.220 1 1 1031 . 1 1 1 A 99 99 ILE CB C 99 38.675 39.695 -1.020 1 1 1043 . 1 1 1 A 99 99 ILE C C 99 176.165 175.966 0.199 1 1 1045 . 1 1 1 A 100 100 VAL H H 100 8.389 8.532 -0.143 1 1 1046 . 1 1 1 A 100 100 VAL CA C 100 65.835 65.450 0.385 1 1 1047 . 1 1 1 A 100 100 VAL HA H 100 3.673 3.658 0.015 1 1 1048 . 1 1 1 A 100 100 VAL CB C 100 31.169 31.485 -0.316 1 1 1058 . 1 1 1 A 101 101 GLY N N 101 116.014 115.951 0.063 1 1 1059 . 1 1 1 A 101 101 GLY H H 101 8.297 8.962 -0.665 1 1 1060 . 1 1 1 A 101 101 GLY CA C 101 44.626 45.201 -0.575 1 1 1061 . 1 1 1 A 101 101 GLY HA3 H 101 3.227 4.239 -1.012 1 1 1062 . 1 1 1 A 101 101 GLY C C 101 171.863 174.674 -2.811 1 1 1063 . 1 1 1 A 101 101 GLY HA2 H 101 4.207 4.115 0.092 1 1 1064 . 1 1 1 A 102 102 SER N N 102 111.977 117.555 -5.578 1 1 1065 . 1 1 1 A 102 102 SER H H 102 7.304 7.465 -0.161 1 1 1066 . 1 1 1 A 102 102 SER CA C 102 54.570 56.332 -1.762 1 1 1067 . 1 1 1 A 102 102 SER HA H 102 3.915 3.975 -0.060 1 1 1068 . 1 1 1 A 102 102 SER CB C 102 62.569 62.727 -0.158 1 1 1071 . 1 1 1 A 103 103 PRO CA C 103 62.215 62.048 0.167 1 1 1072 . 1 1 1 A 103 103 PRO HA H 103 5.475 4.185 1.290 1 1 1073 . 1 1 1 A 103 103 PRO CB C 103 33.552 32.049 1.503 1 1 1079 . 1 1 1 A 103 103 PRO C C 103 175.646 174.946 0.700 1 1 1083 . 1 1 1 A 104 104 PHE N N 104 123.291 119.731 3.560 1 1 1084 . 1 1 1 A 104 104 PHE H H 104 9.465 7.976 1.489 1 1 1085 . 1 1 1 A 104 104 PHE CA C 104 57.015 57.227 -0.212 1 1 1086 . 1 1 1 A 104 104 PHE HA H 104 4.531 4.847 -0.316 1 1 1087 . 1 1 1 A 104 104 PHE CB C 104 40.607 40.760 -0.153 1 1 1099 . 1 1 1 A 104 104 PHE C C 104 175.305 174.634 0.671 1 1 1101 . 1 1 1 A 105 105 LYS N N 105 123.989 125.113 -1.124 1 1 1102 . 1 1 1 A 105 105 LYS H H 105 8.712 9.099 -0.387 1 1 1103 . 1 1 1 A 105 105 LYS CA C 105 55.868 55.132 0.736 1 1 1104 . 1 1 1 A 105 105 LYS HA H 105 4.913 4.919 -0.006 1 1 1105 . 1 1 1 A 105 105 LYS CB C 105 32.762 33.672 -0.910 1 1 1113 . 1 1 1 A 105 105 LYS C C 105 174.065 174.929 -0.864 1 1 1118 . 1 1 1 A 106 106 ALA N N 106 129.654 129.648 0.006 1 1 1119 . 1 1 1 A 106 106 ALA H H 106 8.964 8.609 0.355 1 1 1120 . 1 1 1 A 106 106 ALA CA C 106 50.325 50.409 -0.084 1 1 1121 . 1 1 1 A 106 106 ALA HA H 106 4.497 5.314 -0.817 1 1 1122 . 1 1 1 A 106 106 ALA CB C 106 20.496 21.261 -0.765 1 1 1126 . 1 1 1 A 106 106 ALA C C 106 176.111 175.506 0.605 1 1 1127 . 1 1 1 A 107 107 LYS N N 107 124.155 122.493 1.662 1 1 1128 . 1 1 1 A 107 107 LYS H H 107 7.955 8.688 -0.733 1 1 1129 . 1 1 1 A 107 107 LYS CA C 107 55.904 54.873 1.031 1 1 1130 . 1 1 1 A 107 107 LYS HA H 107 4.950 4.910 0.040 1 1 1131 . 1 1 1 A 107 107 LYS CB C 107 33.755 34.766 -1.011 1 1 1139 . 1 1 1 A 107 107 LYS C C 107 175.350 175.263 0.087 1 1 1144 . 1 1 1 A 108 108 VAL N N 108 128.726 127.070 1.656 1 1 1145 . 1 1 1 A 108 108 VAL H H 108 9.373 8.658 0.715 1 1 1146 . 1 1 1 A 108 108 VAL CA C 108 60.804 61.254 -0.450 1 1 1147 . 1 1 1 A 108 108 VAL HA H 108 4.851 4.802 0.049 1 1 1148 . 1 1 1 A 108 108 VAL CB C 108 33.175 32.937 0.238 1 1 1158 . 1 1 1 A 108 108 VAL C C 108 177.017 175.268 1.749 1 1 1159 . 1 1 1 A 109 109 THR N N 109 121.067 116.816 4.251 1 1 1160 . 1 1 1 A 109 109 THR H H 109 8.527 8.371 0.156 1 1 1161 . 1 1 1 A 109 109 THR CA C 109 60.138 59.723 0.415 1 1 1162 . 1 1 1 A 109 109 THR HA H 109 4.864 4.834 0.030 1 1 1163 . 1 1 1 A 109 109 THR CB C 109 70.960 71.231 -0.271 1 1 1169 . 1 1 1 A 109 109 THR C C 109 173.130 174.147 -1.017 1 1 1170 . 1 1 1 A 110 110 GLY N N 110 106.893 110.464 -3.571 1 1 1171 . 1 1 1 A 110 110 GLY H H 110 8.404 8.510 -0.106 1 1 1172 . 1 1 1 A 110 110 GLY CA C 110 43.888 45.336 -1.448 1 1 1173 . 1 1 1 A 110 110 GLY HA3 H 110 3.851 4.050 -0.199 1 1 1174 . 1 1 1 A 110 110 GLY C C 110 173.870 174.510 -0.640 1 1 1175 . 1 1 1 A 110 110 GLY HA2 H 110 4.773 4.048 0.725 1 1 1176 . 1 1 1 A 111 111 GLN N N 111 116.999 122.966 -5.967 1 1 1177 . 1 1 1 A 111 111 GLN H H 111 8.234 8.083 0.151 1 1 1178 . 1 1 1 A 111 111 GLN CA C 111 55.230 57.023 -1.793 1 1 1179 . 1 1 1 A 111 111 GLN HA H 111 4.269 4.174 0.095 1 1 1180 . 1 1 1 A 111 111 GLN CB C 111 30.118 29.346 0.772 1 1 1187 . 1 1 1 A 111 111 GLN C C 111 176.550 176.160 0.390 1 1 1190 . 1 1 1 A 112 112 ARG N N 112 122.131 122.354 -0.223 1 1 1191 . 1 1 1 A 112 112 ARG H H 112 8.832 8.465 0.367 1 1 1192 . 1 1 1 A 112 112 ARG CA C 112 57.384 56.271 1.113 1 1 1193 . 1 1 1 A 112 112 ARG HA H 112 4.300 4.269 0.031 1 1 1194 . 1 1 1 A 112 112 ARG CB C 112 30.059 30.577 -0.518 1 1 1200 . 1 1 1 A 112 112 ARG C C 112 175.836 175.617 0.219 1 1 1204 . 1 1 1 A 113 113 LEU N N 113 126.764 122.298 4.466 1 1 1205 . 1 1 1 A 113 113 LEU H H 113 8.424 8.230 0.194 1 1 1206 . 1 1 1 A 113 113 LEU CA C 113 54.919 54.529 0.390 1 1 1207 . 1 1 1 A 113 113 LEU HA H 113 4.517 4.449 0.068 1 1 1208 . 1 1 1 A 113 113 LEU CB C 113 42.706 42.686 0.020 1 1 1220 . 1 1 1 A 113 113 LEU C C 113 176.521 176.415 0.106 1 1 1222 . 1 1 1 A 116 116 PRO CA C 116 63.729 63.154 0.575 1 1 1223 . 1 1 1 A 116 116 PRO HA H 116 4.436 4.675 -0.239 1 1 1224 . 1 1 1 A 116 116 PRO CB C 116 32.182 31.737 0.445 1 1 1233 . 1 1 1 A 117 117 GLY N N 117 110.092 108.846 1.246 1 1 1234 . 1 1 1 A 117 117 GLY H H 117 8.493 8.282 0.211 1 1 1235 . 1 1 1 A 118 118 SER CA C 118 58.420 58.861 -0.441 1 1 1236 . 1 1 1 A 118 118 SER HA H 118 4.454 4.034 0.420 1 1 1237 . 1 1 1 A 118 118 SER CB C 118 64.014 61.386 2.628 1 1 1239 . 1 1 1 A 118 118 SER C C 118 174.495 173.108 1.387 1 1 1241 . 1 1 1 A 119 119 ALA N N 119 125.244 122.140 3.104 1 1 1242 . 1 1 1 A 119 119 ALA H H 119 8.365 7.757 0.608 1 1 1243 . 1 1 1 A 119 119 ALA CA C 119 52.697 50.878 1.819 1 1 1244 . 1 1 1 A 119 119 ALA HA H 119 4.333 4.526 -0.193 1 1 1245 . 1 1 1 A 119 119 ALA CB C 119 19.378 20.305 -0.927 1 1 1249 . 1 1 1 A 119 119 ALA C C 119 177.362 176.413 0.949 1 1 1250 . 1 1 1 A 120 120 ASN N N 120 117.122 122.182 -5.060 1 1 1251 . 1 1 1 A 120 120 ASN H H 120 8.311 8.732 -0.421 1 1 1252 . 1 1 1 A 120 120 ASN CA C 120 53.198 52.532 0.666 1 1 1253 . 1 1 1 A 120 120 ASN HA H 120 4.659 5.040 -0.381 1 1 1254 . 1 1 1 A 120 120 ASN CB C 120 38.852 39.933 -1.081 1 1 1259 . 1 1 1 A 120 120 ASN C C 120 175.112 175.659 -0.547 1 1 1261 . 1 1 1 A 122 122 THR CA C 122 61.947 63.112 -1.165 1 1 1262 . 1 1 1 A 122 122 THR HA H 122 4.197 4.352 -0.155 1 1 1263 . 1 1 1 A 122 122 THR CB C 122 69.949 69.309 0.640 1 1 1 . 2 1 1 A 9 9 LYS N N 9 120.806 123.263 -2.457 1 1 2 . 2 1 1 A 9 9 LYS H H 9 8.548 8.389 0.159 1 1 3 . 2 1 1 A 9 9 LYS CA C 9 56.358 55.178 1.180 1 1 4 . 2 1 1 A 9 9 LYS HA H 9 4.261 4.733 -0.472 1 1 5 . 2 1 1 A 9 9 LYS CB C 9 32.673 33.815 -1.142 1 1 17 . 2 1 1 A 10 10 VAL HA H 10 4.307 4.642 -0.335 1 1 18 . 2 1 1 A 10 10 VAL CB C 10 34.845 34.902 -0.057 1 1 24 . 2 1 1 A 11 11 ARG N N 11 125.757 126.871 -1.114 1 1 25 . 2 1 1 A 11 11 ARG H H 11 8.546 8.650 -0.104 1 1 26 . 2 1 1 A 11 11 ARG CA C 11 55.966 55.016 0.950 1 1 27 . 2 1 1 A 11 11 ARG HA H 11 4.463 4.948 -0.485 1 1 28 . 2 1 1 A 11 11 ARG CB C 11 30.834 31.956 -1.122 1 1 37 . 2 1 1 A 12 12 VAL CA C 12 62.370 60.420 1.950 1 1 38 . 2 1 1 A 12 12 VAL HA H 12 4.205 4.537 -0.332 1 1 39 . 2 1 1 A 12 12 VAL CB C 12 32.571 35.005 -2.434 1 1 48 . 2 1 1 A 13 13 GLY N N 13 113.294 111.549 1.745 1 1 49 . 2 1 1 A 13 13 GLY H H 13 8.608 8.600 0.008 1 1 50 . 2 1 1 A 13 13 GLY CA C 13 44.973 45.050 -0.077 1 1 51 . 2 1 1 A 13 13 GLY HA3 H 13 4.024 3.926 0.098 1 1 52 . 2 1 1 A 13 13 GLY HA2 H 13 3.891 3.925 -0.034 1 1 53 . 2 1 1 A 14 14 GLU N N 14 120.644 117.630 3.014 1 1 54 . 2 1 1 A 14 14 GLU H H 14 8.139 8.183 -0.044 1 1 55 . 2 1 1 A 14 14 GLU CA C 14 54.101 53.964 0.137 1 1 56 . 2 1 1 A 14 14 GLU HA H 14 4.626 4.983 -0.357 1 1 57 . 2 1 1 A 14 14 GLU CB C 14 30.026 32.183 -2.157 1 1 63 . 2 1 1 A 15 15 PRO CA C 15 63.731 62.455 1.276 1 1 64 . 2 1 1 A 15 15 PRO HA H 15 4.319 4.505 -0.186 1 1 65 . 2 1 1 A 15 15 PRO CB C 15 31.974 32.970 -0.996 1 1 71 . 2 1 1 A 15 15 PRO C C 15 177.450 176.950 0.500 1 1 75 . 2 1 1 A 16 16 GLY N N 16 109.768 107.643 2.125 1 1 76 . 2 1 1 A 16 16 GLY H H 16 8.577 8.493 0.084 1 1 77 . 2 1 1 A 16 16 GLY CA C 16 45.424 46.877 -1.453 1 1 78 . 2 1 1 A 16 16 GLY HA3 H 16 3.804 3.852 -0.048 1 1 79 . 2 1 1 A 16 16 GLY C C 16 174.160 175.100 -0.940 1 1 80 . 2 1 1 A 16 16 GLY HA2 H 16 4.086 3.852 0.234 1 1 81 . 2 1 1 A 17 17 GLN N N 17 119.726 117.512 2.214 1 1 82 . 2 1 1 A 17 17 GLN H H 17 7.868 7.851 0.017 1 1 83 . 2 1 1 A 17 17 GLN CA C 17 55.403 56.281 -0.878 1 1 84 . 2 1 1 A 17 17 GLN HA H 17 4.389 4.315 0.074 1 1 85 . 2 1 1 A 17 17 GLN CB C 17 29.894 28.992 0.902 1 1 92 . 2 1 1 A 17 17 GLN C C 17 175.290 175.522 -0.232 1 1 95 . 2 1 1 A 18 18 ALA N N 18 125.593 126.843 -1.250 1 1 96 . 2 1 1 A 18 18 ALA H H 18 8.469 8.559 -0.090 1 1 97 . 2 1 1 A 18 18 ALA CA C 18 52.389 51.605 0.784 1 1 98 . 2 1 1 A 18 18 ALA HA H 18 4.448 4.996 -0.548 1 1 99 . 2 1 1 A 18 18 ALA CB C 18 19.959 20.486 -0.527 1 1 103 . 2 1 1 A 18 18 ALA C C 18 177.464 177.154 0.310 1 1 104 . 2 1 1 A 19 19 GLY N N 19 109.162 108.779 0.383 1 1 105 . 2 1 1 A 19 19 GLY H H 19 8.294 8.411 -0.117 1 1 106 . 2 1 1 A 19 19 GLY CA C 19 45.270 45.615 -0.345 1 1 107 . 2 1 1 A 19 19 GLY HA3 H 19 3.853 4.375 -0.522 1 1 108 . 2 1 1 A 19 19 GLY C C 19 173.012 174.514 -1.502 1 1 109 . 2 1 1 A 19 19 GLY HA2 H 19 4.207 4.337 -0.130 1 1 110 . 2 1 1 A 20 20 ASN N N 20 118.861 117.241 1.620 1 1 111 . 2 1 1 A 20 20 ASN H H 20 8.479 8.061 0.418 1 1 112 . 2 1 1 A 20 20 ASN CA C 20 50.128 51.433 -1.305 1 1 113 . 2 1 1 A 20 20 ASN HA H 20 5.236 4.982 0.254 1 1 114 . 2 1 1 A 20 20 ASN CB C 20 39.697 38.164 1.533 1 1 119 . 2 1 1 A 20 20 ASN C C 20 174.482 175.531 -1.049 1 1 121 . 2 1 1 A 21 21 PRO CA C 21 64.588 64.768 -0.180 1 1 122 . 2 1 1 A 21 21 PRO HA H 21 4.312 4.311 0.001 1 1 123 . 2 1 1 A 21 21 PRO CB C 21 31.950 32.045 -0.095 1 1 129 . 2 1 1 A 21 21 PRO C C 21 177.141 178.044 -0.903 1 1 133 . 2 1 1 A 22 22 ALA N N 22 118.898 118.913 -0.015 1 1 134 . 2 1 1 A 22 22 ALA H H 22 7.918 8.252 -0.334 1 1 135 . 2 1 1 A 22 22 ALA CA C 22 53.499 55.393 -1.894 1 1 136 . 2 1 1 A 22 22 ALA HA H 22 4.386 4.033 0.353 1 1 137 . 2 1 1 A 22 22 ALA CB C 22 18.288 18.556 -0.268 1 1 141 . 2 1 1 A 22 22 ALA C C 22 178.115 180.421 -2.306 1 1 142 . 2 1 1 A 23 23 LEU N N 23 116.219 116.680 -0.461 1 1 143 . 2 1 1 A 23 23 LEU H H 23 7.696 7.649 0.047 1 1 144 . 2 1 1 A 23 23 LEU CA C 23 53.851 57.456 -3.605 1 1 145 . 2 1 1 A 23 23 LEU HA H 23 4.475 4.222 0.253 1 1 146 . 2 1 1 A 23 23 LEU CB C 23 41.958 42.207 -0.249 1 1 158 . 2 1 1 A 23 23 LEU C C 23 176.653 177.695 -1.042 1 1 160 . 2 1 1 A 24 24 VAL N N 24 122.233 119.809 2.424 1 1 161 . 2 1 1 A 24 24 VAL H H 24 7.207 7.063 0.144 1 1 162 . 2 1 1 A 24 24 VAL CA C 24 62.768 63.532 -0.764 1 1 163 . 2 1 1 A 24 24 VAL HA H 24 4.081 3.834 0.247 1 1 164 . 2 1 1 A 24 24 VAL CB C 24 32.408 31.490 0.918 1 1 174 . 2 1 1 A 24 24 VAL C C 24 174.702 175.884 -1.182 1 1 175 . 2 1 1 A 25 25 SER N N 25 120.181 119.752 0.429 1 1 176 . 2 1 1 A 25 25 SER H H 25 8.109 8.755 -0.646 1 1 177 . 2 1 1 A 25 25 SER CA C 25 56.489 57.700 -1.211 1 1 178 . 2 1 1 A 25 25 SER HA H 25 5.159 5.059 0.100 1 1 179 . 2 1 1 A 25 25 SER CB C 25 66.443 66.593 -0.150 1 1 181 . 2 1 1 A 25 25 SER C C 25 172.102 172.719 -0.617 1 1 183 . 2 1 1 A 26 26 ALA N N 26 124.850 124.566 0.284 1 1 184 . 2 1 1 A 26 26 ALA H H 26 8.839 8.891 -0.052 1 1 185 . 2 1 1 A 26 26 ALA CA C 26 50.395 50.843 -0.448 1 1 186 . 2 1 1 A 26 26 ALA HA H 26 5.796 5.507 0.289 1 1 187 . 2 1 1 A 26 26 ALA CB C 26 22.868 22.785 0.083 1 1 191 . 2 1 1 A 26 26 ALA C C 26 175.694 175.512 0.182 1 1 192 . 2 1 1 A 27 27 TYR N N 27 117.541 117.236 0.305 1 1 193 . 2 1 1 A 27 27 TYR H H 27 8.831 8.610 0.221 1 1 194 . 2 1 1 A 27 27 TYR CA C 27 56.610 56.042 0.568 1 1 195 . 2 1 1 A 27 27 TYR HA H 27 4.851 5.256 -0.405 1 1 196 . 2 1 1 A 27 27 TYR CB C 27 39.737 41.581 -1.844 1 1 206 . 2 1 1 A 27 27 TYR C C 27 173.299 173.921 -0.622 1 1 208 . 2 1 1 A 28 28 GLY N N 28 108.355 106.411 1.944 1 1 209 . 2 1 1 A 28 28 GLY H H 28 8.788 8.535 0.253 1 1 210 . 2 1 1 A 28 28 GLY CA C 28 44.056 45.113 -1.057 1 1 211 . 2 1 1 A 28 28 GLY HA3 H 28 4.304 4.292 0.012 1 1 212 . 2 1 1 A 28 28 GLY C C 28 176.208 173.994 2.214 1 1 213 . 2 1 1 A 28 28 GLY HA2 H 28 5.047 4.185 0.862 1 1 214 . 2 1 1 A 29 29 THR N N 29 115.659 116.523 -0.864 1 1 215 . 2 1 1 A 29 29 THR H H 29 9.027 7.871 1.156 1 1 216 . 2 1 1 A 29 29 THR CA C 29 65.419 62.356 3.063 1 1 217 . 2 1 1 A 29 29 THR HA H 29 4.171 4.483 -0.312 1 1 218 . 2 1 1 A 29 29 THR CB C 29 68.659 69.888 -1.229 1 1 224 . 2 1 1 A 29 29 THR C C 29 178.141 175.457 2.684 1 1 225 . 2 1 1 A 30 30 GLY N N 30 107.400 109.565 -2.165 1 1 226 . 2 1 1 A 30 30 GLY H H 30 8.747 8.377 0.370 1 1 227 . 2 1 1 A 30 30 GLY CA C 30 46.719 46.918 -0.199 1 1 228 . 2 1 1 A 30 30 GLY HA3 H 30 3.556 3.786 -0.230 1 1 229 . 2 1 1 A 30 30 GLY C C 30 173.896 175.570 -1.674 1 1 230 . 2 1 1 A 30 30 GLY HA2 H 30 4.483 3.680 0.803 1 1 231 . 2 1 1 A 31 31 LEU N N 31 118.075 122.695 -4.620 1 1 232 . 2 1 1 A 31 31 LEU H H 31 7.389 8.059 -0.670 1 1 233 . 2 1 1 A 31 31 LEU CA C 31 55.799 57.461 -1.662 1 1 234 . 2 1 1 A 31 31 LEU HA H 31 3.778 3.993 -0.215 1 1 235 . 2 1 1 A 31 31 LEU CB C 31 41.564 41.518 0.046 1 1 247 . 2 1 1 A 31 31 LEU C C 31 176.045 178.780 -2.735 1 1 249 . 2 1 1 A 32 32 GLU N N 32 112.872 117.316 -4.444 1 1 250 . 2 1 1 A 32 32 GLU H H 32 7.509 7.826 -0.317 1 1 251 . 2 1 1 A 32 32 GLU CA C 32 56.330 58.807 -2.477 1 1 252 . 2 1 1 A 32 32 GLU HA H 32 4.717 4.016 0.701 1 1 253 . 2 1 1 A 32 32 GLU CB C 32 31.924 30.127 1.797 1 1 257 . 2 1 1 A 32 32 GLU C C 32 177.958 176.744 1.214 1 1 260 . 2 1 1 A 33 33 GLY N N 33 107.880 104.305 3.575 1 1 261 . 2 1 1 A 33 33 GLY H H 33 7.822 7.306 0.516 1 1 262 . 2 1 1 A 33 33 GLY CA C 33 45.568 45.511 0.057 1 1 263 . 2 1 1 A 33 33 GLY HA3 H 33 4.125 4.111 0.014 1 1 264 . 2 1 1 A 33 33 GLY C C 33 172.046 172.140 -0.094 1 1 265 . 2 1 1 A 33 33 GLY HA2 H 33 4.661 4.102 0.559 1 1 266 . 2 1 1 A 34 34 GLY N N 34 105.841 107.504 -1.663 1 1 267 . 2 1 1 A 34 34 GLY H H 34 7.740 8.717 -0.977 1 1 268 . 2 1 1 A 34 34 GLY CA C 34 45.215 45.381 -0.166 1 1 269 . 2 1 1 A 34 34 GLY HA3 H 34 3.988 4.132 -0.144 1 1 270 . 2 1 1 A 34 34 GLY C C 34 171.280 172.879 -1.599 1 1 271 . 2 1 1 A 34 34 GLY HA2 H 34 4.030 4.112 -0.082 1 1 272 . 2 1 1 A 35 35 THR N N 35 119.173 116.185 2.988 1 1 273 . 2 1 1 A 35 35 THR H H 35 9.363 8.653 0.710 1 1 274 . 2 1 1 A 35 35 THR CA C 35 60.844 60.757 0.087 1 1 275 . 2 1 1 A 35 35 THR HA H 35 5.177 4.995 0.182 1 1 276 . 2 1 1 A 35 35 THR CB C 35 72.095 70.069 2.026 1 1 282 . 2 1 1 A 35 35 THR C C 35 173.460 173.583 -0.123 1 1 283 . 2 1 1 A 36 36 THR N N 36 116.864 121.938 -5.074 1 1 284 . 2 1 1 A 36 36 THR H H 36 8.425 8.557 -0.132 1 1 285 . 2 1 1 A 36 36 THR CA C 36 62.841 64.791 -1.950 1 1 286 . 2 1 1 A 36 36 THR HA H 36 3.701 4.016 -0.315 1 1 287 . 2 1 1 A 36 36 THR CB C 36 68.447 68.032 0.415 1 1 293 . 2 1 1 A 36 36 THR C C 36 175.396 175.572 -0.176 1 1 294 . 2 1 1 A 37 37 GLY N N 37 107.461 114.387 -6.926 1 1 295 . 2 1 1 A 37 37 GLY H H 37 8.548 8.759 -0.211 1 1 296 . 2 1 1 A 37 37 GLY CA C 37 45.434 45.160 0.274 1 1 297 . 2 1 1 A 37 37 GLY HA3 H 37 3.386 4.008 -0.622 1 1 298 . 2 1 1 A 37 37 GLY C C 37 172.598 174.451 -1.853 1 1 299 . 2 1 1 A 37 37 GLY HA2 H 37 4.024 4.007 0.017 1 1 300 . 2 1 1 A 38 38 ILE N N 38 122.313 121.717 0.596 1 1 301 . 2 1 1 A 38 38 ILE H H 38 7.871 7.652 0.219 1 1 302 . 2 1 1 A 38 38 ILE CA C 38 58.566 59.765 -1.199 1 1 303 . 2 1 1 A 38 38 ILE HA H 38 4.274 4.599 -0.325 1 1 304 . 2 1 1 A 38 38 ILE CB C 38 38.476 40.045 -1.569 1 1 316 . 2 1 1 A 38 38 ILE C C 38 175.081 174.502 0.579 1 1 318 . 2 1 1 A 39 39 GLN N N 39 127.942 124.664 3.278 1 1 319 . 2 1 1 A 39 39 GLN H H 39 8.487 8.768 -0.281 1 1 320 . 2 1 1 A 39 39 GLN CA C 39 57.394 53.879 3.515 1 1 321 . 2 1 1 A 39 39 GLN HA H 39 4.312 5.365 -1.053 1 1 322 . 2 1 1 A 39 39 GLN CB C 39 31.057 32.316 -1.259 1 1 329 . 2 1 1 A 39 39 GLN C C 39 176.011 174.471 1.540 1 1 332 . 2 1 1 A 40 40 SER N N 40 125.784 122.815 2.969 1 1 333 . 2 1 1 A 40 40 SER H H 40 9.167 8.587 0.580 1 1 334 . 2 1 1 A 40 40 SER CA C 40 58.188 56.881 1.307 1 1 335 . 2 1 1 A 40 40 SER HA H 40 4.633 5.344 -0.711 1 1 336 . 2 1 1 A 40 40 SER CB C 40 66.149 66.445 -0.296 1 1 338 . 2 1 1 A 40 40 SER C C 40 172.625 172.758 -0.133 1 1 340 . 2 1 1 A 41 41 GLU N N 41 117.679 119.285 -1.606 1 1 341 . 2 1 1 A 41 41 GLU H H 41 8.773 9.051 -0.278 1 1 342 . 2 1 1 A 41 41 GLU CA C 41 54.060 54.654 -0.594 1 1 343 . 2 1 1 A 41 41 GLU HA H 41 5.629 5.117 0.512 1 1 344 . 2 1 1 A 41 41 GLU CB C 41 34.053 33.202 0.851 1 1 348 . 2 1 1 A 41 41 GLU C C 41 175.607 174.580 1.027 1 1 351 . 2 1 1 A 42 42 PHE N N 42 116.557 117.431 -0.874 1 1 352 . 2 1 1 A 42 42 PHE H H 42 8.753 7.717 1.036 1 1 353 . 2 1 1 A 42 42 PHE CA C 42 56.847 55.080 1.767 1 1 354 . 2 1 1 A 42 42 PHE HA H 42 4.743 5.466 -0.723 1 1 355 . 2 1 1 A 42 42 PHE CB C 42 40.908 42.514 -1.606 1 1 367 . 2 1 1 A 42 42 PHE C C 42 170.204 173.111 -2.907 1 1 369 . 2 1 1 A 43 43 PHE N N 43 118.643 119.697 -1.054 1 1 370 . 2 1 1 A 43 43 PHE H H 43 9.234 8.269 0.965 1 1 371 . 2 1 1 A 43 43 PHE CA C 43 57.292 57.174 0.118 1 1 372 . 2 1 1 A 43 43 PHE HA H 43 5.041 4.826 0.215 1 1 373 . 2 1 1 A 43 43 PHE CB C 43 42.583 40.775 1.808 1 1 385 . 2 1 1 A 43 43 PHE C C 43 174.177 175.346 -1.169 1 1 387 . 2 1 1 A 44 44 ILE N N 44 120.124 120.713 -0.589 1 1 388 . 2 1 1 A 44 44 ILE H H 44 8.876 8.928 -0.052 1 1 389 . 2 1 1 A 44 44 ILE CA C 44 59.698 60.525 -0.827 1 1 390 . 2 1 1 A 44 44 ILE HA H 44 4.717 5.033 -0.316 1 1 391 . 2 1 1 A 44 44 ILE CB C 44 40.591 39.880 0.711 1 1 403 . 2 1 1 A 44 44 ILE C C 44 174.483 175.327 -0.844 1 1 405 . 2 1 1 A 45 45 ASN N N 45 127.058 126.783 0.275 1 1 406 . 2 1 1 A 45 45 ASN H H 45 9.553 8.769 0.784 1 1 407 . 2 1 1 A 45 45 ASN CA C 45 52.099 52.945 -0.846 1 1 408 . 2 1 1 A 45 45 ASN HA H 45 5.380 4.838 0.542 1 1 409 . 2 1 1 A 45 45 ASN CB C 45 39.596 38.182 1.414 1 1 414 . 2 1 1 A 45 45 ASN C C 45 176.821 175.593 1.228 1 1 416 . 2 1 1 A 46 46 THR H H 46 9.223 8.762 0.461 1 1 417 . 2 1 1 A 46 46 THR CA C 46 61.534 60.968 0.566 1 1 418 . 2 1 1 A 46 46 THR HA H 46 4.368 4.531 -0.163 1 1 419 . 2 1 1 A 46 46 THR CB C 46 68.352 69.413 -1.061 1 1 425 . 2 1 1 A 46 46 THR C C 46 176.816 174.592 2.224 1 1 426 . 2 1 1 A 47 47 THR N N 47 116.732 115.451 1.281 1 1 427 . 2 1 1 A 47 47 THR H H 47 8.368 8.066 0.302 1 1 428 . 2 1 1 A 47 47 THR CA C 47 65.916 64.025 1.891 1 1 429 . 2 1 1 A 47 47 THR HA H 47 4.032 4.214 -0.182 1 1 430 . 2 1 1 A 47 47 THR CB C 47 69.870 69.036 0.834 1 1 436 . 2 1 1 A 47 47 THR C C 47 176.865 175.834 1.031 1 1 437 . 2 1 1 A 48 48 ARG N N 48 119.205 120.773 -1.568 1 1 438 . 2 1 1 A 48 48 ARG H H 48 8.785 7.748 1.037 1 1 439 . 2 1 1 A 48 48 ARG CA C 48 56.273 57.923 -1.650 1 1 440 . 2 1 1 A 48 48 ARG HA H 48 4.488 4.311 0.177 1 1 441 . 2 1 1 A 48 48 ARG CB C 48 30.862 30.711 0.151 1 1 447 . 2 1 1 A 48 48 ARG C C 48 176.314 178.358 -2.044 1 1 451 . 2 1 1 A 49 49 ALA N N 49 120.807 120.325 0.482 1 1 452 . 2 1 1 A 49 49 ALA H H 49 7.440 7.867 -0.427 1 1 453 . 2 1 1 A 49 49 ALA CA C 49 53.138 53.316 -0.178 1 1 454 . 2 1 1 A 49 49 ALA HA H 49 4.341 4.152 0.189 1 1 455 . 2 1 1 A 49 49 ALA CB C 49 22.427 19.651 2.776 1 1 459 . 2 1 1 A 49 49 ALA C C 49 177.914 178.395 -0.481 1 1 460 . 2 1 1 A 50 50 GLY N N 50 105.941 103.980 1.961 1 1 461 . 2 1 1 A 50 50 GLY H H 50 7.924 7.407 0.517 1 1 462 . 2 1 1 A 50 50 GLY CA C 50 44.229 44.591 -0.362 1 1 463 . 2 1 1 A 50 50 GLY HA3 H 50 4.325 4.090 0.235 1 1 464 . 2 1 1 A 50 50 GLY C C 50 171.089 172.868 -1.779 1 1 465 . 2 1 1 A 50 50 GLY HA2 H 50 3.948 4.077 -0.129 1 1 466 . 2 1 1 A 51 51 PRO CA C 51 63.140 63.163 -0.023 1 1 467 . 2 1 1 A 51 51 PRO HA H 51 4.588 4.882 -0.294 1 1 468 . 2 1 1 A 51 51 PRO CB C 51 33.004 31.762 1.242 1 1 477 . 2 1 1 A 52 52 GLY CA C 52 45.195 46.150 -0.955 1 1 478 . 2 1 1 A 52 52 GLY HA3 H 52 3.275 4.304 -1.029 1 1 479 . 2 1 1 A 52 52 GLY HA2 H 52 3.852 4.289 -0.437 1 1 480 . 2 1 1 A 53 53 THR N N 53 114.003 115.299 -1.296 1 1 481 . 2 1 1 A 53 53 THR H H 53 8.049 8.524 -0.475 1 1 482 . 2 1 1 A 53 53 THR CA C 53 62.352 61.541 0.811 1 1 483 . 2 1 1 A 53 53 THR HA H 53 4.436 4.457 -0.021 1 1 484 . 2 1 1 A 53 53 THR CB C 53 69.631 69.920 -0.289 1 1 490 . 2 1 1 A 54 54 LEU CA C 54 53.891 53.326 0.565 1 1 491 . 2 1 1 A 54 54 LEU HA H 54 5.077 4.994 0.083 1 1 492 . 2 1 1 A 54 54 LEU CB C 54 44.515 44.509 0.006 1 1 503 . 2 1 1 A 55 55 SER N N 55 120.726 124.413 -3.687 1 1 504 . 2 1 1 A 55 55 SER H H 55 8.783 8.895 -0.112 1 1 505 . 2 1 1 A 55 55 SER CA C 55 56.249 57.684 -1.435 1 1 506 . 2 1 1 A 55 55 SER HA H 55 5.092 5.137 -0.045 1 1 507 . 2 1 1 A 55 55 SER CB C 55 65.032 64.361 0.671 1 1 509 . 2 1 1 A 55 55 SER C C 55 173.165 173.310 -0.145 1 1 511 . 2 1 1 A 56 56 VAL N N 56 126.234 124.185 2.049 1 1 512 . 2 1 1 A 56 56 VAL H H 56 8.336 8.612 -0.276 1 1 513 . 2 1 1 A 56 56 VAL CA C 56 60.515 60.210 0.305 1 1 514 . 2 1 1 A 56 56 VAL HA H 56 5.134 4.882 0.252 1 1 515 . 2 1 1 A 56 56 VAL CB C 56 34.463 35.677 -1.214 1 1 520 . 2 1 1 A 56 56 VAL C C 56 174.718 173.214 1.504 1 1 521 . 2 1 1 A 57 57 THR N N 57 120.539 121.187 -0.648 1 1 522 . 2 1 1 A 57 57 THR H H 57 8.828 8.251 0.577 1 1 523 . 2 1 1 A 57 57 THR CA C 57 60.580 61.196 -0.616 1 1 524 . 2 1 1 A 57 57 THR HA H 57 5.132 4.834 0.298 1 1 525 . 2 1 1 A 57 57 THR CB C 57 72.187 72.371 -0.184 1 1 531 . 2 1 1 A 57 57 THR C C 57 172.970 173.625 -0.655 1 1 532 . 2 1 1 A 58 58 ILE N N 58 123.949 124.613 -0.664 1 1 533 . 2 1 1 A 58 58 ILE H H 58 9.249 8.771 0.478 1 1 534 . 2 1 1 A 58 58 ILE CA C 58 61.297 59.809 1.488 1 1 535 . 2 1 1 A 58 58 ILE HA H 58 5.001 5.114 -0.113 1 1 536 . 2 1 1 A 58 58 ILE CB C 58 39.755 42.338 -2.583 1 1 548 . 2 1 1 A 58 58 ILE C C 58 174.848 174.580 0.268 1 1 550 . 2 1 1 A 59 59 GLU N N 59 129.027 123.301 5.726 1 1 551 . 2 1 1 A 59 59 GLU H H 59 8.966 8.777 0.189 1 1 552 . 2 1 1 A 59 59 GLU CA C 59 53.911 54.686 -0.775 1 1 553 . 2 1 1 A 59 59 GLU HA H 59 5.427 5.098 0.329 1 1 554 . 2 1 1 A 59 59 GLU CB C 59 33.843 33.422 0.421 1 1 558 . 2 1 1 A 59 59 GLU C C 59 175.342 175.376 -0.034 1 1 561 . 2 1 1 A 60 60 GLY N N 60 110.765 108.734 2.031 1 1 562 . 2 1 1 A 60 60 GLY H H 60 8.597 8.233 0.364 1 1 563 . 2 1 1 A 60 60 GLY CA C 60 45.997 44.577 1.420 1 1 564 . 2 1 1 A 60 60 GLY HA3 H 60 3.908 3.744 0.164 1 1 565 . 2 1 1 A 60 60 GLY C C 60 171.205 173.888 -2.683 1 1 566 . 2 1 1 A 60 60 GLY HA2 H 60 3.685 3.171 0.514 1 1 567 . 2 1 1 A 61 61 PRO CA C 61 64.057 64.388 -0.331 1 1 568 . 2 1 1 A 61 61 PRO HA H 61 4.415 4.327 0.088 1 1 569 . 2 1 1 A 61 61 PRO CB C 61 32.143 32.087 0.056 1 1 575 . 2 1 1 A 61 61 PRO C C 61 175.925 176.478 -0.553 1 1 579 . 2 1 1 A 62 62 SER N N 62 108.413 113.933 -5.520 1 1 580 . 2 1 1 A 62 62 SER H H 62 7.144 7.984 -0.840 1 1 581 . 2 1 1 A 62 62 SER CA C 62 57.037 57.880 -0.843 1 1 582 . 2 1 1 A 62 62 SER HA H 62 4.596 4.879 -0.283 1 1 583 . 2 1 1 A 62 62 SER CB C 62 66.522 64.522 2.000 1 1 585 . 2 1 1 A 62 62 SER C C 62 172.446 174.274 -1.828 1 1 587 . 2 1 1 A 63 63 LYS N N 63 122.539 125.965 -3.426 1 1 588 . 2 1 1 A 63 63 LYS H H 63 8.620 8.576 0.044 1 1 589 . 2 1 1 A 63 63 LYS CA C 63 56.407 57.268 -0.861 1 1 590 . 2 1 1 A 63 63 LYS HA H 63 4.267 4.146 0.121 1 1 591 . 2 1 1 A 63 63 LYS CB C 63 32.576 32.440 0.136 1 1 596 . 2 1 1 A 63 63 LYS C C 63 176.658 176.352 0.306 1 1 601 . 2 1 1 A 64 64 VAL N N 64 120.278 120.599 -0.321 1 1 602 . 2 1 1 A 64 64 VAL H H 64 8.554 8.802 -0.248 1 1 603 . 2 1 1 A 64 64 VAL CA C 64 60.425 60.876 -0.451 1 1 604 . 2 1 1 A 64 64 VAL HA H 64 4.460 4.918 -0.458 1 1 605 . 2 1 1 A 64 64 VAL CB C 64 32.938 33.566 -0.628 1 1 615 . 2 1 1 A 64 64 VAL C C 64 176.629 174.337 2.292 1 1 616 . 2 1 1 A 65 65 LYS N N 65 121.529 126.282 -4.753 1 1 617 . 2 1 1 A 65 65 LYS H H 65 8.139 8.821 -0.682 1 1 618 . 2 1 1 A 65 65 LYS CA C 65 56.181 55.849 0.332 1 1 619 . 2 1 1 A 65 65 LYS HA H 65 4.474 4.667 -0.193 1 1 620 . 2 1 1 A 65 65 LYS CB C 65 32.960 33.158 -0.198 1 1 627 . 2 1 1 A 65 65 LYS C C 65 176.309 176.273 0.036 1 1 632 . 2 1 1 A 66 66 MET N N 66 125.382 123.673 1.709 1 1 633 . 2 1 1 A 66 66 MET H H 66 8.811 8.740 0.071 1 1 634 . 2 1 1 A 66 66 MET CA C 66 55.055 53.039 2.016 1 1 635 . 2 1 1 A 66 66 MET HA H 66 5.393 5.426 -0.033 1 1 636 . 2 1 1 A 66 66 MET CB C 66 37.398 36.605 0.793 1 1 644 . 2 1 1 A 66 66 MET C C 66 174.026 174.394 -0.368 1 1 647 . 2 1 1 A 67 67 ASP N N 67 122.714 117.554 5.160 1 1 648 . 2 1 1 A 67 67 ASP H H 67 8.995 8.609 0.386 1 1 649 . 2 1 1 A 67 67 ASP CA C 67 53.231 52.625 0.606 1 1 650 . 2 1 1 A 67 67 ASP HA H 67 4.854 5.293 -0.439 1 1 651 . 2 1 1 A 67 67 ASP CB C 67 44.980 44.511 0.469 1 1 654 . 2 1 1 A 68 68 CYS H H 68 8.412 8.919 -0.507 1 1 655 . 2 1 1 A 68 68 CYS CA C 68 56.390 57.954 -1.564 1 1 656 . 2 1 1 A 68 68 CYS HA H 68 5.288 5.070 0.218 1 1 657 . 2 1 1 A 68 68 CYS CB C 68 28.188 29.192 -1.004 1 1 660 . 2 1 1 A 69 69 GLN N N 69 125.044 126.668 -1.624 1 1 661 . 2 1 1 A 69 69 GLN H H 69 9.116 8.649 0.467 1 1 662 . 2 1 1 A 69 69 GLN CA C 69 56.403 55.872 0.531 1 1 663 . 2 1 1 A 69 69 GLN HA H 69 5.290 4.454 0.836 1 1 664 . 2 1 1 A 69 69 GLN CB C 69 32.962 29.204 3.758 1 1 671 . 2 1 1 A 70 70 GLU N N 70 125.781 125.645 0.136 1 1 672 . 2 1 1 A 70 70 GLU H H 70 8.979 8.796 0.183 1 1 673 . 2 1 1 A 70 70 GLU CA C 70 56.418 55.950 0.468 1 1 674 . 2 1 1 A 70 70 GLU HA H 70 4.029 5.021 -0.992 1 1 675 . 2 1 1 A 70 70 GLU CB C 70 30.585 31.087 -0.502 1 1 681 . 2 1 1 A 71 71 THR N N 71 118.158 116.314 1.844 1 1 682 . 2 1 1 A 71 71 THR H H 71 8.455 8.242 0.213 1 1 683 . 2 1 1 A 71 71 THR CA C 71 59.209 58.397 0.812 1 1 684 . 2 1 1 A 71 71 THR HA H 71 4.902 4.989 -0.087 1 1 685 . 2 1 1 A 71 71 THR CB C 71 68.926 70.760 -1.834 1 1 691 . 2 1 1 A 72 72 PRO CA C 72 65.290 64.274 1.016 1 1 692 . 2 1 1 A 72 72 PRO HA H 72 4.296 4.504 -0.208 1 1 693 . 2 1 1 A 72 72 PRO CB C 72 31.848 31.622 0.226 1 1 699 . 2 1 1 A 72 72 PRO C C 72 177.476 177.577 -0.101 1 1 703 . 2 1 1 A 73 73 GLU N N 73 112.293 117.408 -5.115 1 1 704 . 2 1 1 A 73 73 GLU H H 73 7.562 8.393 -0.831 1 1 705 . 2 1 1 A 73 73 GLU CA C 73 55.577 57.006 -1.429 1 1 706 . 2 1 1 A 73 73 GLU HA H 73 4.370 4.496 -0.126 1 1 707 . 2 1 1 A 73 73 GLU CB C 73 30.787 31.531 -0.744 1 1 711 . 2 1 1 A 73 73 GLU C C 73 174.438 176.133 -1.695 1 1 714 . 2 1 1 A 74 74 GLY N N 74 109.223 106.853 2.370 1 1 715 . 2 1 1 A 74 74 GLY H H 74 7.324 7.364 -0.040 1 1 716 . 2 1 1 A 74 74 GLY CA C 74 47.146 46.014 1.132 1 1 717 . 2 1 1 A 74 74 GLY HA3 H 74 3.551 3.911 -0.360 1 1 718 . 2 1 1 A 74 74 GLY C C 74 172.589 171.172 1.417 1 1 719 . 2 1 1 A 74 74 GLY HA2 H 74 4.949 3.742 1.207 1 1 720 . 2 1 1 A 75 75 TYR N N 75 123.117 120.873 2.244 1 1 721 . 2 1 1 A 75 75 TYR H H 75 8.883 8.412 0.471 1 1 722 . 2 1 1 A 75 75 TYR CA C 75 57.566 56.605 0.961 1 1 723 . 2 1 1 A 75 75 TYR HA H 75 5.171 5.238 -0.067 1 1 724 . 2 1 1 A 75 75 TYR CB C 75 44.111 40.969 3.142 1 1 734 . 2 1 1 A 75 75 TYR C C 75 173.925 174.217 -0.292 1 1 736 . 2 1 1 A 76 76 LYS N N 76 124.633 125.667 -1.034 1 1 737 . 2 1 1 A 76 76 LYS H H 76 9.390 8.871 0.519 1 1 738 . 2 1 1 A 76 76 LYS CA C 76 55.055 55.411 -0.356 1 1 739 . 2 1 1 A 76 76 LYS HA H 76 4.594 4.710 -0.116 1 1 740 . 2 1 1 A 76 76 LYS CB C 76 35.124 34.008 1.116 1 1 748 . 2 1 1 A 76 76 LYS C C 76 174.069 174.818 -0.749 1 1 753 . 2 1 1 A 77 77 VAL N N 77 126.947 125.684 1.263 1 1 754 . 2 1 1 A 77 77 VAL H H 77 8.607 7.707 0.900 1 1 755 . 2 1 1 A 77 77 VAL CA C 77 60.894 61.023 -0.129 1 1 756 . 2 1 1 A 77 77 VAL HA H 77 4.280 4.530 -0.250 1 1 757 . 2 1 1 A 77 77 VAL CB C 77 32.115 33.921 -1.806 1 1 767 . 2 1 1 A 77 77 VAL C C 77 173.586 174.653 -1.067 1 1 768 . 2 1 1 A 78 78 MET N N 78 123.986 126.372 -2.386 1 1 769 . 2 1 1 A 78 78 MET H H 78 8.410 8.946 -0.536 1 1 770 . 2 1 1 A 78 78 MET CA C 78 53.236 53.537 -0.301 1 1 771 . 2 1 1 A 78 78 MET HA H 78 5.290 5.228 0.062 1 1 772 . 2 1 1 A 78 78 MET CB C 78 36.873 33.972 2.901 1 1 780 . 2 1 1 A 78 78 MET C C 78 174.665 174.930 -0.265 1 1 783 . 2 1 1 A 79 79 TYR N N 79 117.488 120.163 -2.675 1 1 784 . 2 1 1 A 79 79 TYR H H 79 8.739 7.990 0.749 1 1 785 . 2 1 1 A 79 79 TYR CA C 79 56.011 56.235 -0.224 1 1 786 . 2 1 1 A 79 79 TYR HA H 79 5.654 5.441 0.213 1 1 787 . 2 1 1 A 79 79 TYR CB C 79 41.549 41.840 -0.291 1 1 797 . 2 1 1 A 79 79 TYR C C 79 172.927 173.138 -0.211 1 1 799 . 2 1 1 A 80 80 THR H H 80 8.383 8.935 -0.552 1 1 800 . 2 1 1 A 80 80 THR CA C 80 58.611 58.992 -0.381 1 1 801 . 2 1 1 A 80 80 THR HA H 80 4.978 4.769 0.209 1 1 802 . 2 1 1 A 80 80 THR CB C 80 70.258 71.755 -1.497 1 1 808 . 2 1 1 A 81 81 PRO CA C 81 61.531 62.976 -1.445 1 1 809 . 2 1 1 A 81 81 PRO HA H 81 4.532 4.653 -0.121 1 1 810 . 2 1 1 A 81 81 PRO CB C 81 32.774 32.290 0.484 1 1 819 . 2 1 1 A 82 82 MET N N 82 117.590 120.939 -3.349 1 1 820 . 2 1 1 A 82 82 MET H H 82 8.299 8.838 -0.539 1 1 821 . 2 1 1 A 82 82 MET CA C 82 53.882 56.784 -2.902 1 1 822 . 2 1 1 A 82 82 MET HA H 82 4.851 4.573 0.278 1 1 823 . 2 1 1 A 82 82 MET CB C 82 33.337 33.994 -0.657 1 1 831 . 2 1 1 A 82 82 MET C C 82 174.339 175.818 -1.479 1 1 834 . 2 1 1 A 83 83 ALA N N 83 119.196 119.858 -0.662 1 1 835 . 2 1 1 A 83 83 ALA H H 83 7.076 7.868 -0.792 1 1 836 . 2 1 1 A 83 83 ALA CA C 83 49.425 49.692 -0.267 1 1 837 . 2 1 1 A 83 83 ALA HA H 83 4.791 4.733 0.058 1 1 838 . 2 1 1 A 83 83 ALA CB C 83 20.682 21.816 -1.134 1 1 842 . 2 1 1 A 83 83 ALA C C 83 174.364 174.666 -0.302 1 1 843 . 2 1 1 A 84 84 PRO CA C 84 62.540 63.359 -0.819 1 1 844 . 2 1 1 A 84 84 PRO HA H 84 4.244 4.519 -0.275 1 1 845 . 2 1 1 A 84 84 PRO CB C 84 32.615 33.338 -0.723 1 1 851 . 2 1 1 A 84 84 PRO C C 84 174.214 175.973 -1.759 1 1 855 . 2 1 1 A 85 85 GLY N N 85 105.436 108.218 -2.782 1 1 856 . 2 1 1 A 85 85 GLY H H 85 8.855 7.981 0.874 1 1 857 . 2 1 1 A 85 85 GLY CA C 85 44.156 44.958 -0.802 1 1 858 . 2 1 1 A 85 85 GLY HA3 H 85 3.761 4.287 -0.526 1 1 859 . 2 1 1 A 85 85 GLY C C 85 171.801 172.088 -0.287 1 1 860 . 2 1 1 A 85 85 GLY HA2 H 85 4.515 4.269 0.246 1 1 861 . 2 1 1 A 86 86 ASN N N 86 119.042 118.540 0.502 1 1 862 . 2 1 1 A 86 86 ASN H H 86 8.573 8.576 -0.003 1 1 863 . 2 1 1 A 86 86 ASN CA C 86 52.499 51.569 0.930 1 1 864 . 2 1 1 A 86 86 ASN HA H 86 5.517 5.636 -0.119 1 1 865 . 2 1 1 A 86 86 ASN CB C 86 39.390 40.957 -1.567 1 1 870 . 2 1 1 A 86 86 ASN C C 86 174.453 173.693 0.760 1 1 872 . 2 1 1 A 87 87 TYR N N 87 122.992 121.715 1.277 1 1 873 . 2 1 1 A 87 87 TYR H H 87 9.369 9.021 0.348 1 1 874 . 2 1 1 A 87 87 TYR CA C 87 56.366 56.518 -0.152 1 1 875 . 2 1 1 A 87 87 TYR HA H 87 5.140 5.492 -0.352 1 1 876 . 2 1 1 A 87 87 TYR CB C 87 40.267 42.365 -2.098 1 1 886 . 2 1 1 A 87 87 TYR C C 87 174.332 174.414 -0.082 1 1 888 . 2 1 1 A 88 88 LEU N N 88 124.720 122.428 2.292 1 1 889 . 2 1 1 A 88 88 LEU H H 88 9.306 8.688 0.618 1 1 890 . 2 1 1 A 88 88 LEU CA C 88 53.426 53.779 -0.353 1 1 891 . 2 1 1 A 88 88 LEU HA H 88 5.253 5.170 0.083 1 1 892 . 2 1 1 A 88 88 LEU CB C 88 44.487 46.066 -1.579 1 1 904 . 2 1 1 A 88 88 LEU C C 88 177.074 174.448 2.626 1 1 906 . 2 1 1 A 89 89 ILE N N 89 130.469 127.468 3.001 1 1 907 . 2 1 1 A 89 89 ILE H H 89 9.807 8.898 0.909 1 1 908 . 2 1 1 A 89 89 ILE CA C 89 60.792 60.124 0.668 1 1 909 . 2 1 1 A 89 89 ILE HA H 89 4.851 4.880 -0.029 1 1 910 . 2 1 1 A 89 89 ILE CB C 89 39.662 39.875 -0.213 1 1 922 . 2 1 1 A 89 89 ILE C C 89 175.605 175.352 0.253 1 1 924 . 2 1 1 A 90 90 SER N N 90 123.845 123.956 -0.111 1 1 925 . 2 1 1 A 90 90 SER H H 90 9.540 8.699 0.841 1 1 926 . 2 1 1 A 90 90 SER CA C 90 58.036 57.996 0.040 1 1 927 . 2 1 1 A 90 90 SER HA H 90 5.199 5.175 0.024 1 1 928 . 2 1 1 A 90 90 SER CB C 90 64.133 64.936 -0.803 1 1 930 . 2 1 1 A 90 90 SER C C 90 173.566 173.565 0.001 1 1 932 . 2 1 1 A 91 91 VAL N N 91 128.427 123.093 5.334 1 1 933 . 2 1 1 A 91 91 VAL H H 91 9.918 8.740 1.178 1 1 934 . 2 1 1 A 91 91 VAL CA C 91 61.447 61.575 -0.128 1 1 935 . 2 1 1 A 91 91 VAL HA H 91 4.837 4.767 0.070 1 1 936 . 2 1 1 A 91 91 VAL CB C 91 33.761 35.367 -1.606 1 1 946 . 2 1 1 A 91 91 VAL C C 91 173.296 174.374 -1.078 1 1 947 . 2 1 1 A 92 92 LYS N N 92 125.779 126.168 -0.389 1 1 948 . 2 1 1 A 92 92 LYS H H 92 8.892 8.358 0.534 1 1 949 . 2 1 1 A 92 92 LYS CA C 92 54.468 54.441 0.027 1 1 950 . 2 1 1 A 92 92 LYS HA H 92 5.065 5.212 -0.147 1 1 951 . 2 1 1 A 92 92 LYS CB C 92 36.106 35.929 0.177 1 1 959 . 2 1 1 A 92 92 LYS C C 92 175.189 175.096 0.093 1 1 964 . 2 1 1 A 93 93 TYR N N 93 120.251 118.889 1.362 1 1 965 . 2 1 1 A 93 93 TYR H H 93 8.061 8.396 -0.335 1 1 966 . 2 1 1 A 93 93 TYR CA C 93 56.884 56.896 -0.012 1 1 967 . 2 1 1 A 93 93 TYR HA H 93 5.522 4.840 0.682 1 1 968 . 2 1 1 A 93 93 TYR CB C 93 44.120 41.225 2.895 1 1 978 . 2 1 1 A 93 93 TYR C C 93 175.517 176.220 -0.703 1 1 980 . 2 1 1 A 94 94 GLY N N 94 114.148 113.259 0.889 1 1 981 . 2 1 1 A 94 94 GLY H H 94 8.274 8.942 -0.668 1 1 982 . 2 1 1 A 94 94 GLY CA C 94 45.959 47.095 -1.136 1 1 983 . 2 1 1 A 94 94 GLY HA3 H 94 3.705 3.874 -0.169 1 1 984 . 2 1 1 A 94 94 GLY C C 94 173.595 174.114 -0.519 1 1 985 . 2 1 1 A 94 94 GLY HA2 H 94 3.877 3.845 0.032 1 1 986 . 2 1 1 A 95 95 GLY N N 95 107.010 107.524 -0.514 1 1 987 . 2 1 1 A 95 95 GLY H H 95 7.452 8.451 -0.999 1 1 988 . 2 1 1 A 95 95 GLY CA C 95 43.954 44.503 -0.549 1 1 989 . 2 1 1 A 95 95 GLY HA3 H 95 3.618 4.083 -0.465 1 1 990 . 2 1 1 A 95 95 GLY C C 95 172.825 173.804 -0.979 1 1 991 . 2 1 1 A 95 95 GLY HA2 H 95 4.507 4.080 0.427 1 1 992 . 2 1 1 A 96 96 PRO CA C 96 63.221 63.617 -0.396 1 1 993 . 2 1 1 A 96 96 PRO HA H 96 4.413 4.524 -0.111 1 1 994 . 2 1 1 A 96 96 PRO CB C 96 30.955 31.898 -0.943 1 1 1000 . 2 1 1 A 96 96 PRO C C 96 175.901 176.263 -0.362 1 1 1004 . 2 1 1 A 97 97 ASN N N 97 119.942 118.061 1.881 1 1 1005 . 2 1 1 A 97 97 ASN H H 97 8.172 8.107 0.065 1 1 1006 . 2 1 1 A 97 97 ASN CA C 97 52.914 53.028 -0.114 1 1 1007 . 2 1 1 A 97 97 ASN HA H 97 4.864 4.590 0.274 1 1 1008 . 2 1 1 A 97 97 ASN CB C 97 39.806 39.219 0.587 1 1 1013 . 2 1 1 A 97 97 ASN C C 97 174.285 174.947 -0.662 1 1 1015 . 2 1 1 A 98 98 HIS N N 98 121.803 122.825 -1.022 1 1 1016 . 2 1 1 A 98 98 HIS H H 98 8.456 8.234 0.222 1 1 1017 . 2 1 1 A 98 98 HIS CA C 98 58.023 55.191 2.832 1 1 1018 . 2 1 1 A 98 98 HIS HA H 98 4.475 4.853 -0.378 1 1 1019 . 2 1 1 A 98 98 HIS CB C 98 33.382 31.294 2.088 1 1 1025 . 2 1 1 A 98 98 HIS C C 98 177.938 175.310 2.628 1 1 1027 . 2 1 1 A 99 99 ILE N N 99 115.599 116.378 -0.779 1 1 1028 . 2 1 1 A 99 99 ILE H H 99 8.237 8.099 0.138 1 1 1029 . 2 1 1 A 99 99 ILE CA C 99 60.895 59.982 0.913 1 1 1030 . 2 1 1 A 99 99 ILE HA H 99 4.545 4.311 0.234 1 1 1031 . 2 1 1 A 99 99 ILE CB C 99 38.675 39.876 -1.201 1 1 1043 . 2 1 1 A 99 99 ILE C C 99 176.165 175.885 0.280 1 1 1045 . 2 1 1 A 100 100 VAL H H 100 8.389 8.452 -0.063 1 1 1046 . 2 1 1 A 100 100 VAL CA C 100 65.835 65.412 0.423 1 1 1047 . 2 1 1 A 100 100 VAL HA H 100 3.673 3.623 0.050 1 1 1048 . 2 1 1 A 100 100 VAL CB C 100 31.169 31.482 -0.313 1 1 1058 . 2 1 1 A 101 101 GLY N N 101 116.014 115.645 0.369 1 1 1059 . 2 1 1 A 101 101 GLY H H 101 8.297 8.892 -0.595 1 1 1060 . 2 1 1 A 101 101 GLY CA C 101 44.626 45.164 -0.538 1 1 1061 . 2 1 1 A 101 101 GLY HA3 H 101 3.227 4.117 -0.890 1 1 1062 . 2 1 1 A 101 101 GLY C C 101 171.863 174.063 -2.200 1 1 1063 . 2 1 1 A 101 101 GLY HA2 H 101 4.207 4.011 0.196 1 1 1064 . 2 1 1 A 102 102 SER N N 102 111.977 117.127 -5.150 1 1 1065 . 2 1 1 A 102 102 SER H H 102 7.304 7.597 -0.293 1 1 1066 . 2 1 1 A 102 102 SER CA C 102 54.570 56.916 -2.346 1 1 1067 . 2 1 1 A 102 102 SER HA H 102 3.915 3.497 0.418 1 1 1068 . 2 1 1 A 102 102 SER CB C 102 62.569 63.143 -0.574 1 1 1071 . 2 1 1 A 103 103 PRO CA C 103 62.215 62.050 0.165 1 1 1072 . 2 1 1 A 103 103 PRO HA H 103 5.475 4.278 1.197 1 1 1073 . 2 1 1 A 103 103 PRO CB C 103 33.552 31.982 1.570 1 1 1079 . 2 1 1 A 103 103 PRO C C 103 175.646 175.336 0.310 1 1 1083 . 2 1 1 A 104 104 PHE N N 104 123.291 120.634 2.657 1 1 1084 . 2 1 1 A 104 104 PHE H H 104 9.465 8.090 1.375 1 1 1085 . 2 1 1 A 104 104 PHE CA C 104 57.015 57.493 -0.478 1 1 1086 . 2 1 1 A 104 104 PHE HA H 104 4.531 4.871 -0.340 1 1 1087 . 2 1 1 A 104 104 PHE CB C 104 40.607 40.527 0.080 1 1 1099 . 2 1 1 A 104 104 PHE C C 104 175.305 174.970 0.335 1 1 1101 . 2 1 1 A 105 105 LYS N N 105 123.989 123.213 0.776 1 1 1102 . 2 1 1 A 105 105 LYS H H 105 8.712 8.963 -0.251 1 1 1103 . 2 1 1 A 105 105 LYS CA C 105 55.868 55.201 0.667 1 1 1104 . 2 1 1 A 105 105 LYS HA H 105 4.913 4.811 0.102 1 1 1105 . 2 1 1 A 105 105 LYS CB C 105 32.762 33.485 -0.723 1 1 1113 . 2 1 1 A 105 105 LYS C C 105 174.065 175.419 -1.354 1 1 1118 . 2 1 1 A 106 106 ALA N N 106 129.654 128.389 1.265 1 1 1119 . 2 1 1 A 106 106 ALA H H 106 8.964 8.677 0.287 1 1 1120 . 2 1 1 A 106 106 ALA CA C 106 50.325 50.379 -0.054 1 1 1121 . 2 1 1 A 106 106 ALA HA H 106 4.497 5.360 -0.863 1 1 1122 . 2 1 1 A 106 106 ALA CB C 106 20.496 21.240 -0.744 1 1 1126 . 2 1 1 A 106 106 ALA C C 106 176.111 175.563 0.548 1 1 1127 . 2 1 1 A 107 107 LYS N N 107 124.155 123.095 1.060 1 1 1128 . 2 1 1 A 107 107 LYS H H 107 7.955 8.845 -0.890 1 1 1129 . 2 1 1 A 107 107 LYS CA C 107 55.904 54.835 1.069 1 1 1130 . 2 1 1 A 107 107 LYS HA H 107 4.950 4.976 -0.026 1 1 1131 . 2 1 1 A 107 107 LYS CB C 107 33.755 34.540 -0.785 1 1 1139 . 2 1 1 A 107 107 LYS C C 107 175.350 175.054 0.296 1 1 1144 . 2 1 1 A 108 108 VAL N N 108 128.726 127.993 0.733 1 1 1145 . 2 1 1 A 108 108 VAL H H 108 9.373 8.828 0.545 1 1 1146 . 2 1 1 A 108 108 VAL CA C 108 60.804 61.949 -1.145 1 1 1147 . 2 1 1 A 108 108 VAL HA H 108 4.851 4.884 -0.033 1 1 1148 . 2 1 1 A 108 108 VAL CB C 108 33.175 32.239 0.936 1 1 1158 . 2 1 1 A 108 108 VAL C C 108 177.017 175.756 1.261 1 1 1159 . 2 1 1 A 109 109 THR N N 109 121.067 117.892 3.175 1 1 1160 . 2 1 1 A 109 109 THR H H 109 8.527 8.623 -0.096 1 1 1161 . 2 1 1 A 109 109 THR CA C 109 60.138 59.521 0.617 1 1 1162 . 2 1 1 A 109 109 THR HA H 109 4.864 5.070 -0.206 1 1 1163 . 2 1 1 A 109 109 THR CB C 109 70.960 71.591 -0.631 1 1 1169 . 2 1 1 A 109 109 THR C C 109 173.130 173.346 -0.216 1 1 1170 . 2 1 1 A 110 110 GLY N N 110 106.893 109.150 -2.257 1 1 1171 . 2 1 1 A 110 110 GLY H H 110 8.404 8.398 0.006 1 1 1172 . 2 1 1 A 110 110 GLY CA C 110 43.888 45.204 -1.316 1 1 1173 . 2 1 1 A 110 110 GLY HA3 H 110 3.851 4.184 -0.333 1 1 1174 . 2 1 1 A 110 110 GLY C C 110 173.870 173.227 0.643 1 1 1175 . 2 1 1 A 110 110 GLY HA2 H 110 4.773 4.184 0.589 1 1 1176 . 2 1 1 A 111 111 GLN N N 111 116.999 122.268 -5.269 1 1 1177 . 2 1 1 A 111 111 GLN H H 111 8.234 8.336 -0.102 1 1 1178 . 2 1 1 A 111 111 GLN CA C 111 55.230 56.191 -0.961 1 1 1179 . 2 1 1 A 111 111 GLN HA H 111 4.269 4.282 -0.013 1 1 1180 . 2 1 1 A 111 111 GLN CB C 111 30.118 29.093 1.025 1 1 1187 . 2 1 1 A 111 111 GLN C C 111 176.550 175.624 0.926 1 1 1190 . 2 1 1 A 112 112 ARG N N 112 122.131 122.715 -0.584 1 1 1191 . 2 1 1 A 112 112 ARG H H 112 8.832 8.438 0.394 1 1 1192 . 2 1 1 A 112 112 ARG CA C 112 57.384 56.621 0.763 1 1 1193 . 2 1 1 A 112 112 ARG HA H 112 4.300 4.362 -0.062 1 1 1194 . 2 1 1 A 112 112 ARG CB C 112 30.059 30.309 -0.250 1 1 1200 . 2 1 1 A 112 112 ARG C C 112 175.836 176.172 -0.336 1 1 1204 . 2 1 1 A 113 113 LEU N N 113 126.764 125.909 0.855 1 1 1205 . 2 1 1 A 113 113 LEU H H 113 8.424 8.712 -0.288 1 1 1206 . 2 1 1 A 113 113 LEU CA C 113 54.919 54.803 0.116 1 1 1207 . 2 1 1 A 113 113 LEU HA H 113 4.517 4.275 0.242 1 1 1208 . 2 1 1 A 113 113 LEU CB C 113 42.706 40.780 1.926 1 1 1220 . 2 1 1 A 113 113 LEU C C 113 176.521 175.993 0.528 1 1 1222 . 2 1 1 A 116 116 PRO CA C 116 63.729 63.580 0.149 1 1 1223 . 2 1 1 A 116 116 PRO HA H 116 4.436 4.417 0.019 1 1 1224 . 2 1 1 A 116 116 PRO CB C 116 32.182 32.361 -0.179 1 1 1233 . 2 1 1 A 117 117 GLY N N 117 110.092 110.553 -0.461 1 1 1234 . 2 1 1 A 117 117 GLY H H 117 8.493 8.234 0.259 1 1 1235 . 2 1 1 A 118 118 SER CA C 118 58.420 58.905 -0.485 1 1 1236 . 2 1 1 A 118 118 SER HA H 118 4.454 4.437 0.017 1 1 1237 . 2 1 1 A 118 118 SER CB C 118 64.014 63.836 0.178 1 1 1239 . 2 1 1 A 118 118 SER C C 118 174.495 174.421 0.074 1 1 1241 . 2 1 1 A 119 119 ALA N N 119 125.244 129.877 -4.633 1 1 1242 . 2 1 1 A 119 119 ALA H H 119 8.365 8.521 -0.156 1 1 1243 . 2 1 1 A 119 119 ALA CA C 119 52.697 50.083 2.614 1 1 1244 . 2 1 1 A 119 119 ALA HA H 119 4.333 5.314 -0.981 1 1 1245 . 2 1 1 A 119 119 ALA CB C 119 19.378 22.961 -3.583 1 1 1249 . 2 1 1 A 119 119 ALA C C 119 177.362 175.608 1.754 1 1 1250 . 2 1 1 A 120 120 ASN N N 120 117.122 118.405 -1.283 1 1 1251 . 2 1 1 A 120 120 ASN H H 120 8.311 8.777 -0.466 1 1 1252 . 2 1 1 A 120 120 ASN CA C 120 53.198 51.995 1.203 1 1 1253 . 2 1 1 A 120 120 ASN HA H 120 4.659 5.283 -0.624 1 1 1254 . 2 1 1 A 120 120 ASN CB C 120 38.852 42.895 -4.043 1 1 1259 . 2 1 1 A 120 120 ASN C C 120 175.112 172.829 2.283 1 1 1261 . 2 1 1 A 122 122 THR CA C 122 61.947 61.028 0.919 1 1 1262 . 2 1 1 A 122 122 THR HA H 122 4.197 4.856 -0.659 1 1 1263 . 2 1 1 A 122 122 THR CB C 122 69.949 69.038 0.911 1 1 1 . 3 1 1 A 9 9 LYS N N 9 120.806 126.635 -5.829 1 1 2 . 3 1 1 A 9 9 LYS H H 9 8.548 8.251 0.297 1 1 3 . 3 1 1 A 9 9 LYS CA C 9 56.358 54.820 1.538 1 1 4 . 3 1 1 A 9 9 LYS HA H 9 4.261 4.655 -0.394 1 1 5 . 3 1 1 A 9 9 LYS CB C 9 32.673 36.231 -3.558 1 1 17 . 3 1 1 A 10 10 VAL HA H 10 4.307 4.438 -0.131 1 1 18 . 3 1 1 A 10 10 VAL CB C 10 34.845 32.954 1.891 1 1 24 . 3 1 1 A 11 11 ARG N N 11 125.757 123.680 2.077 1 1 25 . 3 1 1 A 11 11 ARG H H 11 8.546 8.746 -0.200 1 1 26 . 3 1 1 A 11 11 ARG CA C 11 55.966 54.529 1.437 1 1 27 . 3 1 1 A 11 11 ARG HA H 11 4.463 4.906 -0.443 1 1 28 . 3 1 1 A 11 11 ARG CB C 11 30.834 32.905 -2.071 1 1 37 . 3 1 1 A 12 12 VAL CA C 12 62.370 61.718 0.652 1 1 38 . 3 1 1 A 12 12 VAL HA H 12 4.205 4.314 -0.109 1 1 39 . 3 1 1 A 12 12 VAL CB C 12 32.571 31.029 1.542 1 1 48 . 3 1 1 A 13 13 GLY N N 13 113.294 113.554 -0.260 1 1 49 . 3 1 1 A 13 13 GLY H H 13 8.608 8.389 0.219 1 1 50 . 3 1 1 A 13 13 GLY CA C 13 44.973 45.405 -0.432 1 1 51 . 3 1 1 A 13 13 GLY HA3 H 13 4.024 4.208 -0.184 1 1 52 . 3 1 1 A 13 13 GLY HA2 H 13 3.891 4.207 -0.316 1 1 53 . 3 1 1 A 14 14 GLU N N 14 120.644 119.046 1.598 1 1 54 . 3 1 1 A 14 14 GLU H H 14 8.139 8.430 -0.291 1 1 55 . 3 1 1 A 14 14 GLU CA C 14 54.101 54.550 -0.449 1 1 56 . 3 1 1 A 14 14 GLU HA H 14 4.626 4.538 0.088 1 1 57 . 3 1 1 A 14 14 GLU CB C 14 30.026 30.152 -0.126 1 1 63 . 3 1 1 A 15 15 PRO CA C 15 63.731 63.027 0.704 1 1 64 . 3 1 1 A 15 15 PRO HA H 15 4.319 4.682 -0.363 1 1 65 . 3 1 1 A 15 15 PRO CB C 15 31.974 32.278 -0.304 1 1 71 . 3 1 1 A 15 15 PRO C C 15 177.450 178.211 -0.761 1 1 75 . 3 1 1 A 16 16 GLY N N 16 109.768 110.251 -0.483 1 1 76 . 3 1 1 A 16 16 GLY H H 16 8.577 8.639 -0.062 1 1 77 . 3 1 1 A 16 16 GLY CA C 16 45.424 47.400 -1.976 1 1 78 . 3 1 1 A 16 16 GLY HA3 H 16 3.804 3.808 -0.004 1 1 79 . 3 1 1 A 16 16 GLY C C 16 174.160 175.294 -1.134 1 1 80 . 3 1 1 A 16 16 GLY HA2 H 16 4.086 3.808 0.278 1 1 81 . 3 1 1 A 17 17 GLN N N 17 119.726 118.860 0.866 1 1 82 . 3 1 1 A 17 17 GLN H H 17 7.868 7.752 0.116 1 1 83 . 3 1 1 A 17 17 GLN CA C 17 55.403 56.296 -0.893 1 1 84 . 3 1 1 A 17 17 GLN HA H 17 4.389 4.351 0.038 1 1 85 . 3 1 1 A 17 17 GLN CB C 17 29.894 29.338 0.556 1 1 92 . 3 1 1 A 17 17 GLN C C 17 175.290 175.585 -0.295 1 1 95 . 3 1 1 A 18 18 ALA N N 18 125.593 127.894 -2.301 1 1 96 . 3 1 1 A 18 18 ALA H H 18 8.469 8.690 -0.221 1 1 97 . 3 1 1 A 18 18 ALA CA C 18 52.389 50.649 1.740 1 1 98 . 3 1 1 A 18 18 ALA HA H 18 4.448 4.613 -0.165 1 1 99 . 3 1 1 A 18 18 ALA CB C 18 19.959 19.970 -0.011 1 1 103 . 3 1 1 A 18 18 ALA C C 18 177.464 176.206 1.258 1 1 104 . 3 1 1 A 19 19 GLY N N 19 109.162 110.948 -1.786 1 1 105 . 3 1 1 A 19 19 GLY H H 19 8.294 8.111 0.183 1 1 106 . 3 1 1 A 19 19 GLY CA C 19 45.270 44.987 0.283 1 1 107 . 3 1 1 A 19 19 GLY HA3 H 19 3.853 4.203 -0.350 1 1 108 . 3 1 1 A 19 19 GLY C C 19 173.012 172.332 0.680 1 1 109 . 3 1 1 A 19 19 GLY HA2 H 19 4.207 4.190 0.017 1 1 110 . 3 1 1 A 20 20 ASN N N 20 118.861 123.274 -4.413 1 1 111 . 3 1 1 A 20 20 ASN H H 20 8.479 8.860 -0.381 1 1 112 . 3 1 1 A 20 20 ASN CA C 20 50.128 49.429 0.699 1 1 113 . 3 1 1 A 20 20 ASN HA H 20 5.236 5.308 -0.072 1 1 114 . 3 1 1 A 20 20 ASN CB C 20 39.697 40.860 -1.163 1 1 119 . 3 1 1 A 20 20 ASN C C 20 174.482 174.826 -0.344 1 1 121 . 3 1 1 A 21 21 PRO CA C 21 64.588 65.061 -0.473 1 1 122 . 3 1 1 A 21 21 PRO HA H 21 4.312 4.346 -0.034 1 1 123 . 3 1 1 A 21 21 PRO CB C 21 31.950 32.080 -0.130 1 1 129 . 3 1 1 A 21 21 PRO C C 21 177.141 178.083 -0.942 1 1 133 . 3 1 1 A 22 22 ALA N N 22 118.898 118.838 0.060 1 1 134 . 3 1 1 A 22 22 ALA H H 22 7.918 8.271 -0.353 1 1 135 . 3 1 1 A 22 22 ALA CA C 22 53.499 55.343 -1.844 1 1 136 . 3 1 1 A 22 22 ALA HA H 22 4.386 3.999 0.387 1 1 137 . 3 1 1 A 22 22 ALA CB C 22 18.288 18.617 -0.329 1 1 141 . 3 1 1 A 22 22 ALA C C 22 178.115 180.455 -2.340 1 1 142 . 3 1 1 A 23 23 LEU N N 23 116.219 117.203 -0.984 1 1 143 . 3 1 1 A 23 23 LEU H H 23 7.696 8.033 -0.337 1 1 144 . 3 1 1 A 23 23 LEU CA C 23 53.851 57.994 -4.143 1 1 145 . 3 1 1 A 23 23 LEU HA H 23 4.475 3.933 0.542 1 1 146 . 3 1 1 A 23 23 LEU CB C 23 41.958 41.815 0.143 1 1 158 . 3 1 1 A 23 23 LEU C C 23 176.653 178.019 -1.366 1 1 160 . 3 1 1 A 24 24 VAL N N 24 122.233 119.446 2.787 1 1 161 . 3 1 1 A 24 24 VAL H H 24 7.207 7.644 -0.437 1 1 162 . 3 1 1 A 24 24 VAL CA C 24 62.768 63.549 -0.781 1 1 163 . 3 1 1 A 24 24 VAL HA H 24 4.081 4.197 -0.116 1 1 164 . 3 1 1 A 24 24 VAL CB C 24 32.408 31.517 0.891 1 1 174 . 3 1 1 A 24 24 VAL C C 24 174.702 175.553 -0.851 1 1 175 . 3 1 1 A 25 25 SER N N 25 120.181 124.287 -4.106 1 1 176 . 3 1 1 A 25 25 SER H H 25 8.109 8.833 -0.724 1 1 177 . 3 1 1 A 25 25 SER CA C 25 56.489 57.111 -0.622 1 1 178 . 3 1 1 A 25 25 SER HA H 25 5.159 5.435 -0.276 1 1 179 . 3 1 1 A 25 25 SER CB C 25 66.443 65.662 0.781 1 1 181 . 3 1 1 A 25 25 SER C C 25 172.102 173.405 -1.303 1 1 183 . 3 1 1 A 26 26 ALA N N 26 124.850 126.956 -2.106 1 1 184 . 3 1 1 A 26 26 ALA H H 26 8.839 9.217 -0.378 1 1 185 . 3 1 1 A 26 26 ALA CA C 26 50.395 50.448 -0.053 1 1 186 . 3 1 1 A 26 26 ALA HA H 26 5.796 5.427 0.369 1 1 187 . 3 1 1 A 26 26 ALA CB C 26 22.868 22.227 0.641 1 1 191 . 3 1 1 A 26 26 ALA C C 26 175.694 175.935 -0.241 1 1 192 . 3 1 1 A 27 27 TYR N N 27 117.541 117.828 -0.287 1 1 193 . 3 1 1 A 27 27 TYR H H 27 8.831 8.404 0.427 1 1 194 . 3 1 1 A 27 27 TYR CA C 27 56.610 55.968 0.642 1 1 195 . 3 1 1 A 27 27 TYR HA H 27 4.851 5.266 -0.415 1 1 196 . 3 1 1 A 27 27 TYR CB C 27 39.737 41.405 -1.668 1 1 206 . 3 1 1 A 27 27 TYR C C 27 173.299 173.935 -0.636 1 1 208 . 3 1 1 A 28 28 GLY N N 28 108.355 106.792 1.563 1 1 209 . 3 1 1 A 28 28 GLY H H 28 8.788 8.544 0.244 1 1 210 . 3 1 1 A 28 28 GLY CA C 28 44.056 45.316 -1.260 1 1 211 . 3 1 1 A 28 28 GLY HA3 H 28 4.304 4.422 -0.118 1 1 212 . 3 1 1 A 28 28 GLY C C 28 176.208 174.149 2.059 1 1 213 . 3 1 1 A 28 28 GLY HA2 H 28 5.047 4.389 0.658 1 1 214 . 3 1 1 A 29 29 THR N N 29 115.659 113.565 2.094 1 1 215 . 3 1 1 A 29 29 THR H H 29 9.027 8.272 0.755 1 1 216 . 3 1 1 A 29 29 THR CA C 29 65.419 65.173 0.246 1 1 217 . 3 1 1 A 29 29 THR HA H 29 4.171 4.098 0.073 1 1 218 . 3 1 1 A 29 29 THR CB C 29 68.659 68.471 0.188 1 1 224 . 3 1 1 A 29 29 THR C C 29 178.141 177.321 0.820 1 1 225 . 3 1 1 A 30 30 GLY N N 30 107.400 111.524 -4.124 1 1 226 . 3 1 1 A 30 30 GLY H H 30 8.747 8.412 0.335 1 1 227 . 3 1 1 A 30 30 GLY CA C 30 46.719 46.901 -0.182 1 1 228 . 3 1 1 A 30 30 GLY HA3 H 30 3.556 3.882 -0.326 1 1 229 . 3 1 1 A 30 30 GLY C C 30 173.896 176.146 -2.250 1 1 230 . 3 1 1 A 30 30 GLY HA2 H 30 4.483 3.722 0.761 1 1 231 . 3 1 1 A 31 31 LEU N N 31 118.075 122.811 -4.736 1 1 232 . 3 1 1 A 31 31 LEU H H 31 7.389 8.040 -0.651 1 1 233 . 3 1 1 A 31 31 LEU CA C 31 55.799 57.531 -1.732 1 1 234 . 3 1 1 A 31 31 LEU HA H 31 3.778 3.943 -0.165 1 1 235 . 3 1 1 A 31 31 LEU CB C 31 41.564 41.221 0.343 1 1 247 . 3 1 1 A 31 31 LEU C C 31 176.045 178.986 -2.941 1 1 249 . 3 1 1 A 32 32 GLU N N 32 112.872 118.262 -5.390 1 1 250 . 3 1 1 A 32 32 GLU H H 32 7.509 7.952 -0.443 1 1 251 . 3 1 1 A 32 32 GLU CA C 32 56.330 58.972 -2.642 1 1 252 . 3 1 1 A 32 32 GLU HA H 32 4.717 4.069 0.648 1 1 253 . 3 1 1 A 32 32 GLU CB C 32 31.924 30.051 1.873 1 1 257 . 3 1 1 A 32 32 GLU C C 32 177.958 176.807 1.151 1 1 260 . 3 1 1 A 33 33 GLY N N 33 107.880 104.244 3.636 1 1 261 . 3 1 1 A 33 33 GLY H H 33 7.822 7.368 0.454 1 1 262 . 3 1 1 A 33 33 GLY CA C 33 45.568 45.719 -0.151 1 1 263 . 3 1 1 A 33 33 GLY HA3 H 33 4.125 4.111 0.014 1 1 264 . 3 1 1 A 33 33 GLY C C 33 172.046 171.969 0.077 1 1 265 . 3 1 1 A 33 33 GLY HA2 H 33 4.661 4.099 0.562 1 1 266 . 3 1 1 A 34 34 GLY N N 34 105.841 109.122 -3.281 1 1 267 . 3 1 1 A 34 34 GLY H H 34 7.740 8.323 -0.583 1 1 268 . 3 1 1 A 34 34 GLY CA C 34 45.215 45.211 0.004 1 1 269 . 3 1 1 A 34 34 GLY HA3 H 34 3.988 4.210 -0.222 1 1 270 . 3 1 1 A 34 34 GLY C C 34 171.280 172.947 -1.667 1 1 271 . 3 1 1 A 34 34 GLY HA2 H 34 4.030 4.190 -0.160 1 1 272 . 3 1 1 A 35 35 THR N N 35 119.173 116.107 3.066 1 1 273 . 3 1 1 A 35 35 THR H H 35 9.363 8.632 0.731 1 1 274 . 3 1 1 A 35 35 THR CA C 35 60.844 60.743 0.101 1 1 275 . 3 1 1 A 35 35 THR HA H 35 5.177 4.998 0.179 1 1 276 . 3 1 1 A 35 35 THR CB C 35 72.095 70.040 2.055 1 1 282 . 3 1 1 A 35 35 THR C C 35 173.460 173.687 -0.227 1 1 283 . 3 1 1 A 36 36 THR N N 36 116.864 122.015 -5.151 1 1 284 . 3 1 1 A 36 36 THR H H 36 8.425 8.656 -0.231 1 1 285 . 3 1 1 A 36 36 THR CA C 36 62.841 64.478 -1.637 1 1 286 . 3 1 1 A 36 36 THR HA H 36 3.701 4.111 -0.410 1 1 287 . 3 1 1 A 36 36 THR CB C 36 68.447 68.384 0.063 1 1 293 . 3 1 1 A 36 36 THR C C 36 175.396 175.687 -0.291 1 1 294 . 3 1 1 A 37 37 GLY N N 37 107.461 114.307 -6.846 1 1 295 . 3 1 1 A 37 37 GLY H H 37 8.548 8.867 -0.319 1 1 296 . 3 1 1 A 37 37 GLY CA C 37 45.434 45.023 0.411 1 1 297 . 3 1 1 A 37 37 GLY HA3 H 37 3.386 3.960 -0.574 1 1 298 . 3 1 1 A 37 37 GLY C C 37 172.598 174.400 -1.802 1 1 299 . 3 1 1 A 37 37 GLY HA2 H 37 4.024 3.959 0.065 1 1 300 . 3 1 1 A 38 38 ILE N N 38 122.313 121.528 0.785 1 1 301 . 3 1 1 A 38 38 ILE H H 38 7.871 7.864 0.007 1 1 302 . 3 1 1 A 38 38 ILE CA C 38 58.566 60.147 -1.581 1 1 303 . 3 1 1 A 38 38 ILE HA H 38 4.274 4.445 -0.171 1 1 304 . 3 1 1 A 38 38 ILE CB C 38 38.476 39.334 -0.858 1 1 316 . 3 1 1 A 38 38 ILE C C 38 175.081 174.924 0.157 1 1 318 . 3 1 1 A 39 39 GLN N N 39 127.942 125.453 2.489 1 1 319 . 3 1 1 A 39 39 GLN H H 39 8.487 8.543 -0.056 1 1 320 . 3 1 1 A 39 39 GLN CA C 39 57.394 54.052 3.342 1 1 321 . 3 1 1 A 39 39 GLN HA H 39 4.312 4.894 -0.582 1 1 322 . 3 1 1 A 39 39 GLN CB C 39 31.057 30.844 0.213 1 1 329 . 3 1 1 A 39 39 GLN C C 39 176.011 174.607 1.404 1 1 332 . 3 1 1 A 40 40 SER N N 40 125.784 124.045 1.739 1 1 333 . 3 1 1 A 40 40 SER H H 40 9.167 8.754 0.413 1 1 334 . 3 1 1 A 40 40 SER CA C 40 58.188 57.286 0.902 1 1 335 . 3 1 1 A 40 40 SER HA H 40 4.633 5.212 -0.579 1 1 336 . 3 1 1 A 40 40 SER CB C 40 66.149 65.369 0.780 1 1 338 . 3 1 1 A 40 40 SER C C 40 172.625 173.198 -0.573 1 1 340 . 3 1 1 A 41 41 GLU N N 41 117.679 119.457 -1.778 1 1 341 . 3 1 1 A 41 41 GLU H H 41 8.773 8.799 -0.026 1 1 342 . 3 1 1 A 41 41 GLU CA C 41 54.060 54.592 -0.532 1 1 343 . 3 1 1 A 41 41 GLU HA H 41 5.629 4.989 0.640 1 1 344 . 3 1 1 A 41 41 GLU CB C 41 34.053 32.888 1.165 1 1 348 . 3 1 1 A 41 41 GLU C C 41 175.607 175.107 0.500 1 1 351 . 3 1 1 A 42 42 PHE N N 42 116.557 117.735 -1.178 1 1 352 . 3 1 1 A 42 42 PHE H H 42 8.753 8.282 0.471 1 1 353 . 3 1 1 A 42 42 PHE CA C 42 56.847 55.184 1.663 1 1 354 . 3 1 1 A 42 42 PHE HA H 42 4.743 5.727 -0.984 1 1 355 . 3 1 1 A 42 42 PHE CB C 42 40.908 42.616 -1.708 1 1 367 . 3 1 1 A 42 42 PHE C C 42 170.204 172.777 -2.573 1 1 369 . 3 1 1 A 43 43 PHE N N 43 118.643 118.598 0.045 1 1 370 . 3 1 1 A 43 43 PHE H H 43 9.234 8.891 0.343 1 1 371 . 3 1 1 A 43 43 PHE CA C 43 57.292 56.896 0.396 1 1 372 . 3 1 1 A 43 43 PHE HA H 43 5.041 5.101 -0.060 1 1 373 . 3 1 1 A 43 43 PHE CB C 43 42.583 42.319 0.264 1 1 385 . 3 1 1 A 43 43 PHE C C 43 174.177 175.210 -1.033 1 1 387 . 3 1 1 A 44 44 ILE N N 44 120.124 119.793 0.331 1 1 388 . 3 1 1 A 44 44 ILE H H 44 8.876 8.869 0.007 1 1 389 . 3 1 1 A 44 44 ILE CA C 44 59.698 60.517 -0.819 1 1 390 . 3 1 1 A 44 44 ILE HA H 44 4.717 4.947 -0.230 1 1 391 . 3 1 1 A 44 44 ILE CB C 44 40.591 41.756 -1.165 1 1 403 . 3 1 1 A 44 44 ILE C C 44 174.483 175.197 -0.714 1 1 405 . 3 1 1 A 45 45 ASN N N 45 127.058 125.700 1.358 1 1 406 . 3 1 1 A 45 45 ASN H H 45 9.553 9.373 0.180 1 1 407 . 3 1 1 A 45 45 ASN CA C 45 52.099 52.703 -0.604 1 1 408 . 3 1 1 A 45 45 ASN HA H 45 5.380 5.000 0.380 1 1 409 . 3 1 1 A 45 45 ASN CB C 45 39.596 38.830 0.766 1 1 414 . 3 1 1 A 45 45 ASN C C 45 176.821 175.792 1.029 1 1 416 . 3 1 1 A 46 46 THR H H 46 9.223 8.464 0.759 1 1 417 . 3 1 1 A 46 46 THR CA C 46 61.534 60.435 1.099 1 1 418 . 3 1 1 A 46 46 THR HA H 46 4.368 4.814 -0.446 1 1 419 . 3 1 1 A 46 46 THR CB C 46 68.352 68.709 -0.357 1 1 425 . 3 1 1 A 46 46 THR C C 46 176.816 175.152 1.664 1 1 426 . 3 1 1 A 47 47 THR N N 47 116.732 115.843 0.889 1 1 427 . 3 1 1 A 47 47 THR H H 47 8.368 8.014 0.354 1 1 428 . 3 1 1 A 47 47 THR CA C 47 65.916 63.466 2.450 1 1 429 . 3 1 1 A 47 47 THR HA H 47 4.032 4.366 -0.334 1 1 430 . 3 1 1 A 47 47 THR CB C 47 69.870 69.503 0.367 1 1 436 . 3 1 1 A 47 47 THR C C 47 176.865 175.552 1.313 1 1 437 . 3 1 1 A 48 48 ARG N N 48 119.205 119.766 -0.561 1 1 438 . 3 1 1 A 48 48 ARG H H 48 8.785 7.923 0.862 1 1 439 . 3 1 1 A 48 48 ARG CA C 48 56.273 56.734 -0.461 1 1 440 . 3 1 1 A 48 48 ARG HA H 48 4.488 4.469 0.019 1 1 441 . 3 1 1 A 48 48 ARG CB C 48 30.862 31.444 -0.582 1 1 447 . 3 1 1 A 48 48 ARG C C 48 176.314 177.949 -1.635 1 1 451 . 3 1 1 A 49 49 ALA N N 49 120.807 120.956 -0.149 1 1 452 . 3 1 1 A 49 49 ALA H H 49 7.440 8.066 -0.626 1 1 453 . 3 1 1 A 49 49 ALA CA C 49 53.138 54.264 -1.126 1 1 454 . 3 1 1 A 49 49 ALA HA H 49 4.341 4.138 0.203 1 1 455 . 3 1 1 A 49 49 ALA CB C 49 22.427 19.567 2.860 1 1 459 . 3 1 1 A 49 49 ALA C C 49 177.914 177.962 -0.048 1 1 460 . 3 1 1 A 50 50 GLY N N 50 105.941 105.687 0.254 1 1 461 . 3 1 1 A 50 50 GLY H H 50 7.924 7.865 0.059 1 1 462 . 3 1 1 A 50 50 GLY CA C 50 44.229 45.590 -1.361 1 1 463 . 3 1 1 A 50 50 GLY HA3 H 50 4.325 4.097 0.228 1 1 464 . 3 1 1 A 50 50 GLY C C 50 171.089 173.969 -2.880 1 1 465 . 3 1 1 A 50 50 GLY HA2 H 50 3.948 4.091 -0.143 1 1 466 . 3 1 1 A 51 51 PRO CA C 51 63.140 62.694 0.446 1 1 467 . 3 1 1 A 51 51 PRO HA H 51 4.588 4.552 0.036 1 1 468 . 3 1 1 A 51 51 PRO CB C 51 33.004 33.113 -0.109 1 1 477 . 3 1 1 A 52 52 GLY CA C 52 45.195 46.562 -1.367 1 1 478 . 3 1 1 A 52 52 GLY HA3 H 52 3.275 4.357 -1.082 1 1 479 . 3 1 1 A 52 52 GLY HA2 H 52 3.852 4.312 -0.460 1 1 480 . 3 1 1 A 53 53 THR N N 53 114.003 120.627 -6.624 1 1 481 . 3 1 1 A 53 53 THR H H 53 8.049 8.803 -0.754 1 1 482 . 3 1 1 A 53 53 THR CA C 53 62.352 62.587 -0.235 1 1 483 . 3 1 1 A 53 53 THR HA H 53 4.436 4.585 -0.149 1 1 484 . 3 1 1 A 53 53 THR CB C 53 69.631 69.168 0.463 1 1 490 . 3 1 1 A 54 54 LEU CA C 54 53.891 53.333 0.558 1 1 491 . 3 1 1 A 54 54 LEU HA H 54 5.077 4.502 0.575 1 1 492 . 3 1 1 A 54 54 LEU CB C 54 44.515 43.593 0.922 1 1 503 . 3 1 1 A 55 55 SER N N 55 120.726 119.850 0.876 1 1 504 . 3 1 1 A 55 55 SER H H 55 8.783 8.603 0.180 1 1 505 . 3 1 1 A 55 55 SER CA C 55 56.249 57.112 -0.863 1 1 506 . 3 1 1 A 55 55 SER HA H 55 5.092 5.233 -0.141 1 1 507 . 3 1 1 A 55 55 SER CB C 55 65.032 65.948 -0.916 1 1 509 . 3 1 1 A 55 55 SER C C 55 173.165 173.369 -0.204 1 1 511 . 3 1 1 A 56 56 VAL N N 56 126.234 123.389 2.845 1 1 512 . 3 1 1 A 56 56 VAL H H 56 8.336 8.648 -0.312 1 1 513 . 3 1 1 A 56 56 VAL CA C 56 60.515 61.157 -0.642 1 1 514 . 3 1 1 A 56 56 VAL HA H 56 5.134 5.012 0.122 1 1 515 . 3 1 1 A 56 56 VAL CB C 56 34.463 34.802 -0.339 1 1 520 . 3 1 1 A 56 56 VAL C C 56 174.718 174.749 -0.031 1 1 521 . 3 1 1 A 57 57 THR N N 57 120.539 122.221 -1.682 1 1 522 . 3 1 1 A 57 57 THR H H 57 8.828 8.839 -0.011 1 1 523 . 3 1 1 A 57 57 THR CA C 57 60.580 61.775 -1.195 1 1 524 . 3 1 1 A 57 57 THR HA H 57 5.132 4.998 0.134 1 1 525 . 3 1 1 A 57 57 THR CB C 57 72.187 71.385 0.802 1 1 531 . 3 1 1 A 57 57 THR C C 57 172.970 173.567 -0.597 1 1 532 . 3 1 1 A 58 58 ILE N N 58 123.949 127.690 -3.741 1 1 533 . 3 1 1 A 58 58 ILE H H 58 9.249 8.943 0.306 1 1 534 . 3 1 1 A 58 58 ILE CA C 58 61.297 59.714 1.583 1 1 535 . 3 1 1 A 58 58 ILE HA H 58 5.001 5.331 -0.330 1 1 536 . 3 1 1 A 58 58 ILE CB C 58 39.755 41.056 -1.301 1 1 548 . 3 1 1 A 58 58 ILE C C 58 174.848 174.890 -0.042 1 1 550 . 3 1 1 A 59 59 GLU N N 59 129.027 124.183 4.844 1 1 551 . 3 1 1 A 59 59 GLU H H 59 8.966 9.140 -0.174 1 1 552 . 3 1 1 A 59 59 GLU CA C 59 53.911 54.740 -0.829 1 1 553 . 3 1 1 A 59 59 GLU HA H 59 5.427 5.145 0.282 1 1 554 . 3 1 1 A 59 59 GLU CB C 59 33.843 33.392 0.451 1 1 558 . 3 1 1 A 59 59 GLU C C 59 175.342 175.803 -0.461 1 1 561 . 3 1 1 A 60 60 GLY N N 60 110.765 109.272 1.493 1 1 562 . 3 1 1 A 60 60 GLY H H 60 8.597 8.231 0.366 1 1 563 . 3 1 1 A 60 60 GLY CA C 60 45.997 44.771 1.226 1 1 564 . 3 1 1 A 60 60 GLY HA3 H 60 3.908 3.889 0.019 1 1 565 . 3 1 1 A 60 60 GLY C C 60 171.205 174.024 -2.819 1 1 566 . 3 1 1 A 60 60 GLY HA2 H 60 3.685 3.329 0.356 1 1 567 . 3 1 1 A 61 61 PRO CA C 61 64.057 64.509 -0.452 1 1 568 . 3 1 1 A 61 61 PRO HA H 61 4.415 4.329 0.086 1 1 569 . 3 1 1 A 61 61 PRO CB C 61 32.143 32.049 0.094 1 1 575 . 3 1 1 A 61 61 PRO C C 61 175.925 176.263 -0.338 1 1 579 . 3 1 1 A 62 62 SER N N 62 108.413 114.279 -5.866 1 1 580 . 3 1 1 A 62 62 SER H H 62 7.144 7.825 -0.681 1 1 581 . 3 1 1 A 62 62 SER CA C 62 57.037 57.584 -0.547 1 1 582 . 3 1 1 A 62 62 SER HA H 62 4.596 4.799 -0.203 1 1 583 . 3 1 1 A 62 62 SER CB C 62 66.522 65.988 0.534 1 1 585 . 3 1 1 A 62 62 SER C C 62 172.446 172.898 -0.452 1 1 587 . 3 1 1 A 63 63 LYS N N 63 122.539 123.384 -0.845 1 1 588 . 3 1 1 A 63 63 LYS H H 63 8.620 8.478 0.142 1 1 589 . 3 1 1 A 63 63 LYS CA C 63 56.407 55.899 0.508 1 1 590 . 3 1 1 A 63 63 LYS HA H 63 4.267 4.687 -0.420 1 1 591 . 3 1 1 A 63 63 LYS CB C 63 32.576 33.504 -0.928 1 1 596 . 3 1 1 A 63 63 LYS C C 63 176.658 176.380 0.278 1 1 601 . 3 1 1 A 64 64 VAL N N 64 120.278 120.426 -0.148 1 1 602 . 3 1 1 A 64 64 VAL H H 64 8.554 8.966 -0.412 1 1 603 . 3 1 1 A 64 64 VAL CA C 64 60.425 58.986 1.439 1 1 604 . 3 1 1 A 64 64 VAL HA H 64 4.460 4.957 -0.497 1 1 605 . 3 1 1 A 64 64 VAL CB C 64 32.938 35.497 -2.559 1 1 615 . 3 1 1 A 64 64 VAL C C 64 176.629 174.561 2.068 1 1 616 . 3 1 1 A 65 65 LYS N N 65 121.529 123.051 -1.522 1 1 617 . 3 1 1 A 65 65 LYS H H 65 8.139 8.360 -0.221 1 1 618 . 3 1 1 A 65 65 LYS CA C 65 56.181 55.879 0.302 1 1 619 . 3 1 1 A 65 65 LYS HA H 65 4.474 4.571 -0.097 1 1 620 . 3 1 1 A 65 65 LYS CB C 65 32.960 32.889 0.071 1 1 627 . 3 1 1 A 65 65 LYS C C 65 176.309 175.879 0.430 1 1 632 . 3 1 1 A 66 66 MET N N 66 125.382 123.385 1.997 1 1 633 . 3 1 1 A 66 66 MET H H 66 8.811 9.034 -0.223 1 1 634 . 3 1 1 A 66 66 MET CA C 66 55.055 54.231 0.824 1 1 635 . 3 1 1 A 66 66 MET HA H 66 5.393 5.538 -0.145 1 1 636 . 3 1 1 A 66 66 MET CB C 66 37.398 35.209 2.189 1 1 644 . 3 1 1 A 66 66 MET C C 66 174.026 174.196 -0.170 1 1 647 . 3 1 1 A 67 67 ASP N N 67 122.714 123.533 -0.819 1 1 648 . 3 1 1 A 67 67 ASP H H 67 8.995 8.556 0.439 1 1 649 . 3 1 1 A 67 67 ASP CA C 67 53.231 52.759 0.472 1 1 650 . 3 1 1 A 67 67 ASP HA H 67 4.854 5.134 -0.280 1 1 651 . 3 1 1 A 67 67 ASP CB C 67 44.980 43.093 1.887 1 1 654 . 3 1 1 A 68 68 CYS H H 68 8.412 8.707 -0.295 1 1 655 . 3 1 1 A 68 68 CYS CA C 68 56.390 59.093 -2.703 1 1 656 . 3 1 1 A 68 68 CYS HA H 68 5.288 4.608 0.680 1 1 657 . 3 1 1 A 68 68 CYS CB C 68 28.188 28.531 -0.343 1 1 660 . 3 1 1 A 69 69 GLN N N 69 125.044 121.415 3.629 1 1 661 . 3 1 1 A 69 69 GLN H H 69 9.116 8.790 0.326 1 1 662 . 3 1 1 A 69 69 GLN CA C 69 56.403 54.587 1.816 1 1 663 . 3 1 1 A 69 69 GLN HA H 69 5.290 4.911 0.379 1 1 664 . 3 1 1 A 69 69 GLN CB C 69 32.962 32.497 0.465 1 1 671 . 3 1 1 A 70 70 GLU N N 70 125.781 123.610 2.171 1 1 672 . 3 1 1 A 70 70 GLU H H 70 8.979 8.731 0.248 1 1 673 . 3 1 1 A 70 70 GLU CA C 70 56.418 55.464 0.954 1 1 674 . 3 1 1 A 70 70 GLU HA H 70 4.029 4.827 -0.798 1 1 675 . 3 1 1 A 70 70 GLU CB C 70 30.585 30.811 -0.226 1 1 681 . 3 1 1 A 71 71 THR N N 71 118.158 117.882 0.276 1 1 682 . 3 1 1 A 71 71 THR H H 71 8.455 8.406 0.049 1 1 683 . 3 1 1 A 71 71 THR CA C 71 59.209 58.678 0.531 1 1 684 . 3 1 1 A 71 71 THR HA H 71 4.902 4.951 -0.049 1 1 685 . 3 1 1 A 71 71 THR CB C 71 68.926 69.776 -0.850 1 1 691 . 3 1 1 A 72 72 PRO CA C 72 65.290 64.272 1.018 1 1 692 . 3 1 1 A 72 72 PRO HA H 72 4.296 4.496 -0.200 1 1 693 . 3 1 1 A 72 72 PRO CB C 72 31.848 31.663 0.185 1 1 699 . 3 1 1 A 72 72 PRO C C 72 177.476 177.067 0.409 1 1 703 . 3 1 1 A 73 73 GLU N N 73 112.293 116.745 -4.452 1 1 704 . 3 1 1 A 73 73 GLU H H 73 7.562 8.585 -1.023 1 1 705 . 3 1 1 A 73 73 GLU CA C 73 55.577 57.442 -1.865 1 1 706 . 3 1 1 A 73 73 GLU HA H 73 4.370 4.382 -0.012 1 1 707 . 3 1 1 A 73 73 GLU CB C 73 30.787 31.922 -1.135 1 1 711 . 3 1 1 A 73 73 GLU C C 73 174.438 176.605 -2.167 1 1 714 . 3 1 1 A 74 74 GLY N N 74 109.223 104.449 4.774 1 1 715 . 3 1 1 A 74 74 GLY H H 74 7.324 7.244 0.080 1 1 716 . 3 1 1 A 74 74 GLY CA C 74 47.146 46.012 1.134 1 1 717 . 3 1 1 A 74 74 GLY HA3 H 74 3.551 4.052 -0.501 1 1 718 . 3 1 1 A 74 74 GLY C C 74 172.589 170.880 1.709 1 1 719 . 3 1 1 A 74 74 GLY HA2 H 74 4.949 3.821 1.128 1 1 720 . 3 1 1 A 75 75 TYR N N 75 123.117 119.748 3.369 1 1 721 . 3 1 1 A 75 75 TYR H H 75 8.883 8.416 0.467 1 1 722 . 3 1 1 A 75 75 TYR CA C 75 57.566 56.510 1.056 1 1 723 . 3 1 1 A 75 75 TYR HA H 75 5.171 5.319 -0.148 1 1 724 . 3 1 1 A 75 75 TYR CB C 75 44.111 42.284 1.827 1 1 734 . 3 1 1 A 75 75 TYR C C 75 173.925 174.203 -0.278 1 1 736 . 3 1 1 A 76 76 LYS N N 76 124.633 125.004 -0.371 1 1 737 . 3 1 1 A 76 76 LYS H H 76 9.390 8.851 0.539 1 1 738 . 3 1 1 A 76 76 LYS CA C 76 55.055 55.807 -0.752 1 1 739 . 3 1 1 A 76 76 LYS HA H 76 4.594 4.313 0.281 1 1 740 . 3 1 1 A 76 76 LYS CB C 76 35.124 33.388 1.736 1 1 748 . 3 1 1 A 76 76 LYS C C 76 174.069 175.016 -0.947 1 1 753 . 3 1 1 A 77 77 VAL N N 77 126.947 126.014 0.933 1 1 754 . 3 1 1 A 77 77 VAL H H 77 8.607 8.041 0.566 1 1 755 . 3 1 1 A 77 77 VAL CA C 77 60.894 60.166 0.728 1 1 756 . 3 1 1 A 77 77 VAL HA H 77 4.280 4.591 -0.311 1 1 757 . 3 1 1 A 77 77 VAL CB C 77 32.115 34.206 -2.091 1 1 767 . 3 1 1 A 77 77 VAL C C 77 173.586 174.433 -0.847 1 1 768 . 3 1 1 A 78 78 MET N N 78 123.986 124.551 -0.565 1 1 769 . 3 1 1 A 78 78 MET H H 78 8.410 8.722 -0.312 1 1 770 . 3 1 1 A 78 78 MET CA C 78 53.236 54.221 -0.985 1 1 771 . 3 1 1 A 78 78 MET HA H 78 5.290 5.288 0.002 1 1 772 . 3 1 1 A 78 78 MET CB C 78 36.873 36.878 -0.005 1 1 780 . 3 1 1 A 78 78 MET C C 78 174.665 174.428 0.237 1 1 783 . 3 1 1 A 79 79 TYR N N 79 117.488 118.546 -1.058 1 1 784 . 3 1 1 A 79 79 TYR H H 79 8.739 8.851 -0.112 1 1 785 . 3 1 1 A 79 79 TYR CA C 79 56.011 55.864 0.147 1 1 786 . 3 1 1 A 79 79 TYR HA H 79 5.654 5.766 -0.112 1 1 787 . 3 1 1 A 79 79 TYR CB C 79 41.549 41.847 -0.298 1 1 797 . 3 1 1 A 79 79 TYR C C 79 172.927 173.182 -0.255 1 1 799 . 3 1 1 A 80 80 THR H H 80 8.383 8.913 -0.530 1 1 800 . 3 1 1 A 80 80 THR CA C 80 58.611 59.024 -0.413 1 1 801 . 3 1 1 A 80 80 THR HA H 80 4.978 4.667 0.311 1 1 802 . 3 1 1 A 80 80 THR CB C 80 70.258 70.488 -0.230 1 1 808 . 3 1 1 A 81 81 PRO CA C 81 61.531 62.912 -1.381 1 1 809 . 3 1 1 A 81 81 PRO HA H 81 4.532 4.735 -0.203 1 1 810 . 3 1 1 A 81 81 PRO CB C 81 32.774 32.695 0.079 1 1 819 . 3 1 1 A 82 82 MET N N 82 117.590 120.656 -3.066 1 1 820 . 3 1 1 A 82 82 MET H H 82 8.299 8.868 -0.569 1 1 821 . 3 1 1 A 82 82 MET CA C 82 53.882 56.021 -2.139 1 1 822 . 3 1 1 A 82 82 MET HA H 82 4.851 4.574 0.277 1 1 823 . 3 1 1 A 82 82 MET CB C 82 33.337 34.145 -0.808 1 1 831 . 3 1 1 A 82 82 MET C C 82 174.339 175.569 -1.230 1 1 834 . 3 1 1 A 83 83 ALA N N 83 119.196 120.652 -1.456 1 1 835 . 3 1 1 A 83 83 ALA H H 83 7.076 7.825 -0.749 1 1 836 . 3 1 1 A 83 83 ALA CA C 83 49.425 49.435 -0.010 1 1 837 . 3 1 1 A 83 83 ALA HA H 83 4.791 4.741 0.050 1 1 838 . 3 1 1 A 83 83 ALA CB C 83 20.682 21.859 -1.177 1 1 842 . 3 1 1 A 83 83 ALA C C 83 174.364 174.694 -0.330 1 1 843 . 3 1 1 A 84 84 PRO CA C 84 62.540 63.237 -0.697 1 1 844 . 3 1 1 A 84 84 PRO HA H 84 4.244 4.533 -0.289 1 1 845 . 3 1 1 A 84 84 PRO CB C 84 32.615 33.213 -0.598 1 1 851 . 3 1 1 A 84 84 PRO C C 84 174.214 176.169 -1.955 1 1 855 . 3 1 1 A 85 85 GLY N N 85 105.436 108.256 -2.820 1 1 856 . 3 1 1 A 85 85 GLY H H 85 8.855 8.226 0.629 1 1 857 . 3 1 1 A 85 85 GLY CA C 85 44.156 44.251 -0.095 1 1 858 . 3 1 1 A 85 85 GLY HA3 H 85 3.761 4.211 -0.450 1 1 859 . 3 1 1 A 85 85 GLY C C 85 171.801 173.026 -1.225 1 1 860 . 3 1 1 A 85 85 GLY HA2 H 85 4.515 4.179 0.336 1 1 861 . 3 1 1 A 86 86 ASN N N 86 119.042 117.642 1.400 1 1 862 . 3 1 1 A 86 86 ASN H H 86 8.573 8.462 0.111 1 1 863 . 3 1 1 A 86 86 ASN CA C 86 52.499 51.708 0.791 1 1 864 . 3 1 1 A 86 86 ASN HA H 86 5.517 5.761 -0.244 1 1 865 . 3 1 1 A 86 86 ASN CB C 86 39.390 40.262 -0.872 1 1 870 . 3 1 1 A 86 86 ASN C C 86 174.453 174.207 0.246 1 1 872 . 3 1 1 A 87 87 TYR N N 87 122.992 121.699 1.293 1 1 873 . 3 1 1 A 87 87 TYR H H 87 9.369 9.025 0.344 1 1 874 . 3 1 1 A 87 87 TYR CA C 87 56.366 56.387 -0.021 1 1 875 . 3 1 1 A 87 87 TYR HA H 87 5.140 5.684 -0.544 1 1 876 . 3 1 1 A 87 87 TYR CB C 87 40.267 42.220 -1.953 1 1 886 . 3 1 1 A 87 87 TYR C C 87 174.332 174.642 -0.310 1 1 888 . 3 1 1 A 88 88 LEU N N 88 124.720 122.583 2.137 1 1 889 . 3 1 1 A 88 88 LEU H H 88 9.306 9.036 0.270 1 1 890 . 3 1 1 A 88 88 LEU CA C 88 53.426 54.201 -0.775 1 1 891 . 3 1 1 A 88 88 LEU HA H 88 5.253 5.148 0.105 1 1 892 . 3 1 1 A 88 88 LEU CB C 88 44.487 45.905 -1.418 1 1 904 . 3 1 1 A 88 88 LEU C C 88 177.074 174.314 2.760 1 1 906 . 3 1 1 A 89 89 ILE N N 89 130.469 127.907 2.562 1 1 907 . 3 1 1 A 89 89 ILE H H 89 9.807 9.118 0.689 1 1 908 . 3 1 1 A 89 89 ILE CA C 89 60.792 60.171 0.621 1 1 909 . 3 1 1 A 89 89 ILE HA H 89 4.851 5.123 -0.272 1 1 910 . 3 1 1 A 89 89 ILE CB C 89 39.662 39.250 0.412 1 1 922 . 3 1 1 A 89 89 ILE C C 89 175.605 175.039 0.566 1 1 924 . 3 1 1 A 90 90 SER N N 90 123.845 124.466 -0.621 1 1 925 . 3 1 1 A 90 90 SER H H 90 9.540 9.199 0.341 1 1 926 . 3 1 1 A 90 90 SER CA C 90 58.036 58.085 -0.049 1 1 927 . 3 1 1 A 90 90 SER HA H 90 5.199 5.131 0.068 1 1 928 . 3 1 1 A 90 90 SER CB C 90 64.133 64.689 -0.556 1 1 930 . 3 1 1 A 90 90 SER C C 90 173.566 173.182 0.384 1 1 932 . 3 1 1 A 91 91 VAL N N 91 128.427 124.227 4.200 1 1 933 . 3 1 1 A 91 91 VAL H H 91 9.918 8.654 1.264 1 1 934 . 3 1 1 A 91 91 VAL CA C 91 61.447 61.333 0.114 1 1 935 . 3 1 1 A 91 91 VAL HA H 91 4.837 4.773 0.064 1 1 936 . 3 1 1 A 91 91 VAL CB C 91 33.761 35.110 -1.349 1 1 946 . 3 1 1 A 91 91 VAL C C 91 173.296 174.464 -1.168 1 1 947 . 3 1 1 A 92 92 LYS N N 92 125.779 126.873 -1.094 1 1 948 . 3 1 1 A 92 92 LYS H H 92 8.892 8.627 0.265 1 1 949 . 3 1 1 A 92 92 LYS CA C 92 54.468 54.837 -0.369 1 1 950 . 3 1 1 A 92 92 LYS HA H 92 5.065 5.112 -0.047 1 1 951 . 3 1 1 A 92 92 LYS CB C 92 36.106 35.396 0.710 1 1 959 . 3 1 1 A 92 92 LYS C C 92 175.189 175.792 -0.603 1 1 964 . 3 1 1 A 93 93 TYR N N 93 120.251 121.060 -0.809 1 1 965 . 3 1 1 A 93 93 TYR H H 93 8.061 9.056 -0.995 1 1 966 . 3 1 1 A 93 93 TYR CA C 93 56.884 57.230 -0.346 1 1 967 . 3 1 1 A 93 93 TYR HA H 93 5.522 4.965 0.557 1 1 968 . 3 1 1 A 93 93 TYR CB C 93 44.120 42.107 2.013 1 1 978 . 3 1 1 A 93 93 TYR C C 93 175.517 176.289 -0.772 1 1 980 . 3 1 1 A 94 94 GLY N N 94 114.148 112.631 1.517 1 1 981 . 3 1 1 A 94 94 GLY H H 94 8.274 9.004 -0.730 1 1 982 . 3 1 1 A 94 94 GLY CA C 94 45.959 47.118 -1.159 1 1 983 . 3 1 1 A 94 94 GLY HA3 H 94 3.705 3.842 -0.137 1 1 984 . 3 1 1 A 94 94 GLY C C 94 173.595 173.915 -0.320 1 1 985 . 3 1 1 A 94 94 GLY HA2 H 94 3.877 3.803 0.074 1 1 986 . 3 1 1 A 95 95 GLY N N 95 107.010 107.507 -0.497 1 1 987 . 3 1 1 A 95 95 GLY H H 95 7.452 8.399 -0.947 1 1 988 . 3 1 1 A 95 95 GLY CA C 95 43.954 44.187 -0.233 1 1 989 . 3 1 1 A 95 95 GLY HA3 H 95 3.618 4.038 -0.420 1 1 990 . 3 1 1 A 95 95 GLY C C 95 172.825 173.938 -1.113 1 1 991 . 3 1 1 A 95 95 GLY HA2 H 95 4.507 4.032 0.475 1 1 992 . 3 1 1 A 96 96 PRO CA C 96 63.221 63.755 -0.534 1 1 993 . 3 1 1 A 96 96 PRO HA H 96 4.413 4.634 -0.221 1 1 994 . 3 1 1 A 96 96 PRO CB C 96 30.955 31.778 -0.823 1 1 1000 . 3 1 1 A 96 96 PRO C C 96 175.901 176.811 -0.910 1 1 1004 . 3 1 1 A 97 97 ASN N N 97 119.942 115.492 4.450 1 1 1005 . 3 1 1 A 97 97 ASN H H 97 8.172 8.375 -0.203 1 1 1006 . 3 1 1 A 97 97 ASN CA C 97 52.914 52.586 0.328 1 1 1007 . 3 1 1 A 97 97 ASN HA H 97 4.864 4.577 0.287 1 1 1008 . 3 1 1 A 97 97 ASN CB C 97 39.806 38.129 1.677 1 1 1013 . 3 1 1 A 97 97 ASN C C 97 174.285 175.416 -1.131 1 1 1015 . 3 1 1 A 98 98 HIS N N 98 121.803 123.137 -1.334 1 1 1016 . 3 1 1 A 98 98 HIS H H 98 8.456 8.113 0.343 1 1 1017 . 3 1 1 A 98 98 HIS CA C 98 58.023 56.716 1.307 1 1 1018 . 3 1 1 A 98 98 HIS HA H 98 4.475 4.764 -0.289 1 1 1019 . 3 1 1 A 98 98 HIS CB C 98 33.382 30.128 3.254 1 1 1025 . 3 1 1 A 98 98 HIS C C 98 177.938 175.596 2.342 1 1 1027 . 3 1 1 A 99 99 ILE N N 99 115.599 118.057 -2.458 1 1 1028 . 3 1 1 A 99 99 ILE H H 99 8.237 7.907 0.330 1 1 1029 . 3 1 1 A 99 99 ILE CA C 99 60.895 59.732 1.163 1 1 1030 . 3 1 1 A 99 99 ILE HA H 99 4.545 4.245 0.300 1 1 1031 . 3 1 1 A 99 99 ILE CB C 99 38.675 39.768 -1.093 1 1 1043 . 3 1 1 A 99 99 ILE C C 99 176.165 176.020 0.145 1 1 1045 . 3 1 1 A 100 100 VAL H H 100 8.389 8.474 -0.085 1 1 1046 . 3 1 1 A 100 100 VAL CA C 100 65.835 65.454 0.381 1 1 1047 . 3 1 1 A 100 100 VAL HA H 100 3.673 3.507 0.166 1 1 1048 . 3 1 1 A 100 100 VAL CB C 100 31.169 31.401 -0.232 1 1 1058 . 3 1 1 A 101 101 GLY N N 101 116.014 115.587 0.427 1 1 1059 . 3 1 1 A 101 101 GLY H H 101 8.297 8.866 -0.569 1 1 1060 . 3 1 1 A 101 101 GLY CA C 101 44.626 45.191 -0.565 1 1 1061 . 3 1 1 A 101 101 GLY HA3 H 101 3.227 3.929 -0.702 1 1 1062 . 3 1 1 A 101 101 GLY C C 101 171.863 174.054 -2.191 1 1 1063 . 3 1 1 A 101 101 GLY HA2 H 101 4.207 3.898 0.309 1 1 1064 . 3 1 1 A 102 102 SER N N 102 111.977 116.916 -4.939 1 1 1065 . 3 1 1 A 102 102 SER H H 102 7.304 7.515 -0.211 1 1 1066 . 3 1 1 A 102 102 SER CA C 102 54.570 57.375 -2.805 1 1 1067 . 3 1 1 A 102 102 SER HA H 102 3.915 3.713 0.202 1 1 1068 . 3 1 1 A 102 102 SER CB C 102 62.569 63.167 -0.598 1 1 1071 . 3 1 1 A 103 103 PRO CA C 103 62.215 62.321 -0.106 1 1 1072 . 3 1 1 A 103 103 PRO HA H 103 5.475 4.383 1.092 1 1 1073 . 3 1 1 A 103 103 PRO CB C 103 33.552 32.549 1.003 1 1 1079 . 3 1 1 A 103 103 PRO C C 103 175.646 176.387 -0.741 1 1 1083 . 3 1 1 A 104 104 PHE N N 104 123.291 121.482 1.809 1 1 1084 . 3 1 1 A 104 104 PHE H H 104 9.465 8.208 1.257 1 1 1085 . 3 1 1 A 104 104 PHE CA C 104 57.015 57.768 -0.753 1 1 1086 . 3 1 1 A 104 104 PHE HA H 104 4.531 4.843 -0.312 1 1 1087 . 3 1 1 A 104 104 PHE CB C 104 40.607 39.633 0.974 1 1 1099 . 3 1 1 A 104 104 PHE C C 104 175.305 175.097 0.208 1 1 1101 . 3 1 1 A 105 105 LYS N N 105 123.989 124.401 -0.412 1 1 1102 . 3 1 1 A 105 105 LYS H H 105 8.712 9.029 -0.317 1 1 1103 . 3 1 1 A 105 105 LYS CA C 105 55.868 55.638 0.230 1 1 1104 . 3 1 1 A 105 105 LYS HA H 105 4.913 4.811 0.102 1 1 1105 . 3 1 1 A 105 105 LYS CB C 105 32.762 32.903 -0.141 1 1 1113 . 3 1 1 A 105 105 LYS C C 105 174.065 175.590 -1.525 1 1 1118 . 3 1 1 A 106 106 ALA N N 106 129.654 128.657 0.997 1 1 1119 . 3 1 1 A 106 106 ALA H H 106 8.964 8.779 0.185 1 1 1120 . 3 1 1 A 106 106 ALA CA C 106 50.325 50.058 0.267 1 1 1121 . 3 1 1 A 106 106 ALA HA H 106 4.497 5.338 -0.841 1 1 1122 . 3 1 1 A 106 106 ALA CB C 106 20.496 22.765 -2.269 1 1 1126 . 3 1 1 A 106 106 ALA C C 106 176.111 175.151 0.960 1 1 1127 . 3 1 1 A 107 107 LYS N N 107 124.155 122.352 1.803 1 1 1128 . 3 1 1 A 107 107 LYS H H 107 7.955 8.838 -0.883 1 1 1129 . 3 1 1 A 107 107 LYS CA C 107 55.904 54.798 1.106 1 1 1130 . 3 1 1 A 107 107 LYS HA H 107 4.950 4.968 -0.018 1 1 1131 . 3 1 1 A 107 107 LYS CB C 107 33.755 34.794 -1.039 1 1 1139 . 3 1 1 A 107 107 LYS C C 107 175.350 174.890 0.460 1 1 1144 . 3 1 1 A 108 108 VAL N N 108 128.726 127.978 0.748 1 1 1145 . 3 1 1 A 108 108 VAL H H 108 9.373 9.336 0.037 1 1 1146 . 3 1 1 A 108 108 VAL CA C 108 60.804 61.779 -0.975 1 1 1147 . 3 1 1 A 108 108 VAL HA H 108 4.851 4.741 0.110 1 1 1148 . 3 1 1 A 108 108 VAL CB C 108 33.175 32.291 0.884 1 1 1158 . 3 1 1 A 108 108 VAL C C 108 177.017 175.804 1.213 1 1 1159 . 3 1 1 A 109 109 THR N N 109 121.067 117.480 3.587 1 1 1160 . 3 1 1 A 109 109 THR H H 109 8.527 8.426 0.101 1 1 1161 . 3 1 1 A 109 109 THR CA C 109 60.138 59.630 0.508 1 1 1162 . 3 1 1 A 109 109 THR HA H 109 4.864 5.060 -0.196 1 1 1163 . 3 1 1 A 109 109 THR CB C 109 70.960 71.629 -0.669 1 1 1169 . 3 1 1 A 109 109 THR C C 109 173.130 173.258 -0.128 1 1 1170 . 3 1 1 A 110 110 GLY N N 110 106.893 108.540 -1.647 1 1 1171 . 3 1 1 A 110 110 GLY H H 110 8.404 8.481 -0.077 1 1 1172 . 3 1 1 A 110 110 GLY CA C 110 43.888 44.673 -0.785 1 1 1173 . 3 1 1 A 110 110 GLY HA3 H 110 3.851 4.198 -0.347 1 1 1174 . 3 1 1 A 110 110 GLY C C 110 173.870 173.209 0.661 1 1 1175 . 3 1 1 A 110 110 GLY HA2 H 110 4.773 4.196 0.577 1 1 1176 . 3 1 1 A 111 111 GLN N N 111 116.999 121.512 -4.513 1 1 1177 . 3 1 1 A 111 111 GLN H H 111 8.234 8.501 -0.267 1 1 1178 . 3 1 1 A 111 111 GLN CA C 111 55.230 56.800 -1.570 1 1 1179 . 3 1 1 A 111 111 GLN HA H 111 4.269 4.194 0.075 1 1 1180 . 3 1 1 A 111 111 GLN CB C 111 30.118 28.722 1.396 1 1 1187 . 3 1 1 A 111 111 GLN C C 111 176.550 176.243 0.307 1 1 1190 . 3 1 1 A 112 112 ARG N N 112 122.131 124.523 -2.392 1 1 1191 . 3 1 1 A 112 112 ARG H H 112 8.832 8.487 0.345 1 1 1192 . 3 1 1 A 112 112 ARG CA C 112 57.384 56.452 0.932 1 1 1193 . 3 1 1 A 112 112 ARG HA H 112 4.300 4.165 0.135 1 1 1194 . 3 1 1 A 112 112 ARG CB C 112 30.059 30.506 -0.447 1 1 1200 . 3 1 1 A 112 112 ARG C C 112 175.836 175.843 -0.007 1 1 1204 . 3 1 1 A 113 113 LEU N N 113 126.764 124.681 2.083 1 1 1205 . 3 1 1 A 113 113 LEU H H 113 8.424 8.172 0.252 1 1 1206 . 3 1 1 A 113 113 LEU CA C 113 54.919 53.639 1.280 1 1 1207 . 3 1 1 A 113 113 LEU HA H 113 4.517 4.742 -0.225 1 1 1208 . 3 1 1 A 113 113 LEU CB C 113 42.706 41.531 1.175 1 1 1220 . 3 1 1 A 113 113 LEU C C 113 176.521 176.584 -0.063 1 1 1222 . 3 1 1 A 116 116 PRO CA C 116 63.729 63.800 -0.071 1 1 1223 . 3 1 1 A 116 116 PRO HA H 116 4.436 4.432 0.004 1 1 1224 . 3 1 1 A 116 116 PRO CB C 116 32.182 32.229 -0.047 1 1 1233 . 3 1 1 A 117 117 GLY N N 117 110.092 109.400 0.692 1 1 1234 . 3 1 1 A 117 117 GLY H H 117 8.493 7.959 0.534 1 1 1235 . 3 1 1 A 118 118 SER CA C 118 58.420 57.691 0.729 1 1 1236 . 3 1 1 A 118 118 SER HA H 118 4.454 5.113 -0.659 1 1 1237 . 3 1 1 A 118 118 SER CB C 118 64.014 64.980 -0.966 1 1 1239 . 3 1 1 A 118 118 SER C C 118 174.495 173.700 0.795 1 1 1241 . 3 1 1 A 119 119 ALA N N 119 125.244 125.232 0.012 1 1 1242 . 3 1 1 A 119 119 ALA H H 119 8.365 8.761 -0.396 1 1 1243 . 3 1 1 A 119 119 ALA CA C 119 52.697 51.573 1.124 1 1 1244 . 3 1 1 A 119 119 ALA HA H 119 4.333 5.119 -0.786 1 1 1245 . 3 1 1 A 119 119 ALA CB C 119 19.378 21.142 -1.764 1 1 1249 . 3 1 1 A 119 119 ALA C C 119 177.362 175.564 1.798 1 1 1250 . 3 1 1 A 120 120 ASN N N 120 117.122 120.576 -3.454 1 1 1251 . 3 1 1 A 120 120 ASN H H 120 8.311 8.756 -0.445 1 1 1252 . 3 1 1 A 120 120 ASN CA C 120 53.198 52.889 0.309 1 1 1253 . 3 1 1 A 120 120 ASN HA H 120 4.659 5.190 -0.531 1 1 1254 . 3 1 1 A 120 120 ASN CB C 120 38.852 41.617 -2.765 1 1 1259 . 3 1 1 A 120 120 ASN C C 120 175.112 173.178 1.934 1 1 1261 . 3 1 1 A 122 122 THR CA C 122 61.947 59.193 2.754 1 1 1262 . 3 1 1 A 122 122 THR HA H 122 4.197 4.969 -0.772 1 1 1263 . 3 1 1 A 122 122 THR CB C 122 69.949 71.010 -1.061 1 1 1 . 4 1 1 A 9 9 LYS N N 9 120.806 122.891 -2.085 1 1 2 . 4 1 1 A 9 9 LYS H H 9 8.548 8.785 -0.237 1 1 3 . 4 1 1 A 9 9 LYS CA C 9 56.358 55.547 0.811 1 1 4 . 4 1 1 A 9 9 LYS HA H 9 4.261 4.638 -0.377 1 1 5 . 4 1 1 A 9 9 LYS CB C 9 32.673 33.913 -1.240 1 1 17 . 4 1 1 A 10 10 VAL HA H 10 4.307 4.411 -0.104 1 1 18 . 4 1 1 A 10 10 VAL CB C 10 34.845 32.865 1.980 1 1 24 . 4 1 1 A 11 11 ARG N N 11 125.757 127.957 -2.200 1 1 25 . 4 1 1 A 11 11 ARG H H 11 8.546 8.723 -0.177 1 1 26 . 4 1 1 A 11 11 ARG CA C 11 55.966 56.068 -0.102 1 1 27 . 4 1 1 A 11 11 ARG HA H 11 4.463 4.484 -0.021 1 1 28 . 4 1 1 A 11 11 ARG CB C 11 30.834 31.329 -0.495 1 1 37 . 4 1 1 A 12 12 VAL CA C 12 62.370 62.708 -0.338 1 1 38 . 4 1 1 A 12 12 VAL HA H 12 4.205 4.079 0.126 1 1 39 . 4 1 1 A 12 12 VAL CB C 12 32.571 30.541 2.030 1 1 48 . 4 1 1 A 13 13 GLY N N 13 113.294 113.716 -0.422 1 1 49 . 4 1 1 A 13 13 GLY H H 13 8.608 8.385 0.223 1 1 50 . 4 1 1 A 13 13 GLY CA C 13 44.973 45.099 -0.126 1 1 51 . 4 1 1 A 13 13 GLY HA3 H 13 4.024 4.034 -0.010 1 1 52 . 4 1 1 A 13 13 GLY HA2 H 13 3.891 4.033 -0.142 1 1 53 . 4 1 1 A 14 14 GLU N N 14 120.644 119.064 1.580 1 1 54 . 4 1 1 A 14 14 GLU H H 14 8.139 8.743 -0.604 1 1 55 . 4 1 1 A 14 14 GLU CA C 14 54.101 54.817 -0.716 1 1 56 . 4 1 1 A 14 14 GLU HA H 14 4.626 4.609 0.017 1 1 57 . 4 1 1 A 14 14 GLU CB C 14 30.026 28.976 1.050 1 1 63 . 4 1 1 A 15 15 PRO CA C 15 63.731 64.668 -0.937 1 1 64 . 4 1 1 A 15 15 PRO HA H 15 4.319 4.444 -0.125 1 1 65 . 4 1 1 A 15 15 PRO CB C 15 31.974 32.081 -0.107 1 1 71 . 4 1 1 A 15 15 PRO C C 15 177.450 176.518 0.932 1 1 75 . 4 1 1 A 16 16 GLY N N 16 109.768 104.590 5.178 1 1 76 . 4 1 1 A 16 16 GLY H H 16 8.577 7.345 1.232 1 1 77 . 4 1 1 A 16 16 GLY CA C 16 45.424 45.181 0.243 1 1 78 . 4 1 1 A 16 16 GLY HA3 H 16 3.804 4.080 -0.276 1 1 79 . 4 1 1 A 16 16 GLY C C 16 174.160 171.674 2.486 1 1 80 . 4 1 1 A 16 16 GLY HA2 H 16 4.086 4.079 0.007 1 1 81 . 4 1 1 A 17 17 GLN N N 17 119.726 116.458 3.268 1 1 82 . 4 1 1 A 17 17 GLN H H 17 7.868 8.664 -0.796 1 1 83 . 4 1 1 A 17 17 GLN CA C 17 55.403 54.041 1.362 1 1 84 . 4 1 1 A 17 17 GLN HA H 17 4.389 4.984 -0.595 1 1 85 . 4 1 1 A 17 17 GLN CB C 17 29.894 31.102 -1.208 1 1 92 . 4 1 1 A 17 17 GLN C C 17 175.290 174.619 0.671 1 1 95 . 4 1 1 A 18 18 ALA N N 18 125.593 121.900 3.693 1 1 96 . 4 1 1 A 18 18 ALA H H 18 8.469 8.651 -0.182 1 1 97 . 4 1 1 A 18 18 ALA CA C 18 52.389 50.459 1.930 1 1 98 . 4 1 1 A 18 18 ALA HA H 18 4.448 5.177 -0.729 1 1 99 . 4 1 1 A 18 18 ALA CB C 18 19.959 22.166 -2.207 1 1 103 . 4 1 1 A 18 18 ALA C C 18 177.464 176.782 0.682 1 1 104 . 4 1 1 A 19 19 GLY N N 19 109.162 110.489 -1.327 1 1 105 . 4 1 1 A 19 19 GLY H H 19 8.294 8.678 -0.384 1 1 106 . 4 1 1 A 19 19 GLY CA C 19 45.270 45.957 -0.687 1 1 107 . 4 1 1 A 19 19 GLY HA3 H 19 3.853 4.130 -0.277 1 1 108 . 4 1 1 A 19 19 GLY C C 19 173.012 173.561 -0.549 1 1 109 . 4 1 1 A 19 19 GLY HA2 H 19 4.207 4.100 0.107 1 1 110 . 4 1 1 A 20 20 ASN N N 20 118.861 123.582 -4.721 1 1 111 . 4 1 1 A 20 20 ASN H H 20 8.479 8.559 -0.080 1 1 112 . 4 1 1 A 20 20 ASN CA C 20 50.128 49.641 0.487 1 1 113 . 4 1 1 A 20 20 ASN HA H 20 5.236 5.197 0.039 1 1 114 . 4 1 1 A 20 20 ASN CB C 20 39.697 40.886 -1.189 1 1 119 . 4 1 1 A 20 20 ASN C C 20 174.482 174.220 0.262 1 1 121 . 4 1 1 A 21 21 PRO CA C 21 64.588 64.718 -0.130 1 1 122 . 4 1 1 A 21 21 PRO HA H 21 4.312 4.004 0.308 1 1 123 . 4 1 1 A 21 21 PRO CB C 21 31.950 32.058 -0.108 1 1 129 . 4 1 1 A 21 21 PRO C C 21 177.141 177.822 -0.681 1 1 133 . 4 1 1 A 22 22 ALA N N 22 118.898 118.901 -0.003 1 1 134 . 4 1 1 A 22 22 ALA H H 22 7.918 8.456 -0.538 1 1 135 . 4 1 1 A 22 22 ALA CA C 22 53.499 55.096 -1.597 1 1 136 . 4 1 1 A 22 22 ALA HA H 22 4.386 4.002 0.384 1 1 137 . 4 1 1 A 22 22 ALA CB C 22 18.288 18.471 -0.183 1 1 141 . 4 1 1 A 22 22 ALA C C 22 178.115 180.635 -2.520 1 1 142 . 4 1 1 A 23 23 LEU N N 23 116.219 117.563 -1.344 1 1 143 . 4 1 1 A 23 23 LEU H H 23 7.696 7.689 0.007 1 1 144 . 4 1 1 A 23 23 LEU CA C 23 53.851 57.519 -3.668 1 1 145 . 4 1 1 A 23 23 LEU HA H 23 4.475 4.109 0.366 1 1 146 . 4 1 1 A 23 23 LEU CB C 23 41.958 42.270 -0.312 1 1 158 . 4 1 1 A 23 23 LEU C C 23 176.653 177.621 -0.968 1 1 160 . 4 1 1 A 24 24 VAL N N 24 122.233 119.327 2.906 1 1 161 . 4 1 1 A 24 24 VAL H H 24 7.207 7.461 -0.254 1 1 162 . 4 1 1 A 24 24 VAL CA C 24 62.768 63.158 -0.390 1 1 163 . 4 1 1 A 24 24 VAL HA H 24 4.081 4.165 -0.084 1 1 164 . 4 1 1 A 24 24 VAL CB C 24 32.408 31.826 0.582 1 1 174 . 4 1 1 A 24 24 VAL C C 24 174.702 175.621 -0.919 1 1 175 . 4 1 1 A 25 25 SER N N 25 120.181 123.934 -3.753 1 1 176 . 4 1 1 A 25 25 SER H H 25 8.109 9.082 -0.973 1 1 177 . 4 1 1 A 25 25 SER CA C 25 56.489 57.346 -0.857 1 1 178 . 4 1 1 A 25 25 SER HA H 25 5.159 5.540 -0.381 1 1 179 . 4 1 1 A 25 25 SER CB C 25 66.443 66.783 -0.340 1 1 181 . 4 1 1 A 25 25 SER C C 25 172.102 173.004 -0.902 1 1 183 . 4 1 1 A 26 26 ALA N N 26 124.850 124.277 0.573 1 1 184 . 4 1 1 A 26 26 ALA H H 26 8.839 8.970 -0.131 1 1 185 . 4 1 1 A 26 26 ALA CA C 26 50.395 51.294 -0.899 1 1 186 . 4 1 1 A 26 26 ALA HA H 26 5.796 5.307 0.489 1 1 187 . 4 1 1 A 26 26 ALA CB C 26 22.868 22.771 0.097 1 1 191 . 4 1 1 A 26 26 ALA C C 26 175.694 175.544 0.150 1 1 192 . 4 1 1 A 27 27 TYR N N 27 117.541 118.059 -0.518 1 1 193 . 4 1 1 A 27 27 TYR H H 27 8.831 8.570 0.261 1 1 194 . 4 1 1 A 27 27 TYR CA C 27 56.610 55.819 0.791 1 1 195 . 4 1 1 A 27 27 TYR HA H 27 4.851 5.424 -0.573 1 1 196 . 4 1 1 A 27 27 TYR CB C 27 39.737 41.796 -2.059 1 1 206 . 4 1 1 A 27 27 TYR C C 27 173.299 173.988 -0.689 1 1 208 . 4 1 1 A 28 28 GLY N N 28 108.355 106.438 1.917 1 1 209 . 4 1 1 A 28 28 GLY H H 28 8.788 8.542 0.246 1 1 210 . 4 1 1 A 28 28 GLY CA C 28 44.056 45.898 -1.842 1 1 211 . 4 1 1 A 28 28 GLY HA3 H 28 4.304 4.406 -0.102 1 1 212 . 4 1 1 A 28 28 GLY C C 28 176.208 173.911 2.297 1 1 213 . 4 1 1 A 28 28 GLY HA2 H 28 5.047 4.328 0.719 1 1 214 . 4 1 1 A 29 29 THR N N 29 115.659 115.527 0.132 1 1 215 . 4 1 1 A 29 29 THR H H 29 9.027 8.052 0.975 1 1 216 . 4 1 1 A 29 29 THR CA C 29 65.419 62.868 2.551 1 1 217 . 4 1 1 A 29 29 THR HA H 29 4.171 4.410 -0.239 1 1 218 . 4 1 1 A 29 29 THR CB C 29 68.659 69.986 -1.327 1 1 224 . 4 1 1 A 29 29 THR C C 29 178.141 176.463 1.678 1 1 225 . 4 1 1 A 30 30 GLY N N 30 107.400 108.561 -1.161 1 1 226 . 4 1 1 A 30 30 GLY H H 30 8.747 8.508 0.239 1 1 227 . 4 1 1 A 30 30 GLY CA C 30 46.719 47.068 -0.349 1 1 228 . 4 1 1 A 30 30 GLY HA3 H 30 3.556 3.798 -0.242 1 1 229 . 4 1 1 A 30 30 GLY C C 30 173.896 175.611 -1.715 1 1 230 . 4 1 1 A 30 30 GLY HA2 H 30 4.483 3.661 0.822 1 1 231 . 4 1 1 A 31 31 LEU N N 31 118.075 122.887 -4.812 1 1 232 . 4 1 1 A 31 31 LEU H H 31 7.389 7.963 -0.574 1 1 233 . 4 1 1 A 31 31 LEU CA C 31 55.799 57.437 -1.638 1 1 234 . 4 1 1 A 31 31 LEU HA H 31 3.778 3.882 -0.104 1 1 235 . 4 1 1 A 31 31 LEU CB C 31 41.564 41.168 0.396 1 1 247 . 4 1 1 A 31 31 LEU C C 31 176.045 178.967 -2.922 1 1 249 . 4 1 1 A 32 32 GLU N N 32 112.872 117.845 -4.973 1 1 250 . 4 1 1 A 32 32 GLU H H 32 7.509 7.805 -0.296 1 1 251 . 4 1 1 A 32 32 GLU CA C 32 56.330 58.628 -2.298 1 1 252 . 4 1 1 A 32 32 GLU HA H 32 4.717 4.041 0.676 1 1 253 . 4 1 1 A 32 32 GLU CB C 32 31.924 30.179 1.745 1 1 257 . 4 1 1 A 32 32 GLU C C 32 177.958 176.587 1.371 1 1 260 . 4 1 1 A 33 33 GLY N N 33 107.880 105.022 2.858 1 1 261 . 4 1 1 A 33 33 GLY H H 33 7.822 7.291 0.531 1 1 262 . 4 1 1 A 33 33 GLY CA C 33 45.568 45.527 0.041 1 1 263 . 4 1 1 A 33 33 GLY HA3 H 33 4.125 4.102 0.023 1 1 264 . 4 1 1 A 33 33 GLY C C 33 172.046 171.935 0.111 1 1 265 . 4 1 1 A 33 33 GLY HA2 H 33 4.661 4.093 0.568 1 1 266 . 4 1 1 A 34 34 GLY N N 34 105.841 108.276 -2.435 1 1 267 . 4 1 1 A 34 34 GLY H H 34 7.740 8.901 -1.161 1 1 268 . 4 1 1 A 34 34 GLY CA C 34 45.215 45.240 -0.025 1 1 269 . 4 1 1 A 34 34 GLY HA3 H 34 3.988 4.160 -0.172 1 1 270 . 4 1 1 A 34 34 GLY C C 34 171.280 172.508 -1.228 1 1 271 . 4 1 1 A 34 34 GLY HA2 H 34 4.030 4.133 -0.103 1 1 272 . 4 1 1 A 35 35 THR N N 35 119.173 121.493 -2.320 1 1 273 . 4 1 1 A 35 35 THR H H 35 9.363 9.145 0.218 1 1 274 . 4 1 1 A 35 35 THR CA C 35 60.844 61.567 -0.723 1 1 275 . 4 1 1 A 35 35 THR HA H 35 5.177 4.891 0.286 1 1 276 . 4 1 1 A 35 35 THR CB C 35 72.095 69.041 3.054 1 1 282 . 4 1 1 A 35 35 THR C C 35 173.460 173.875 -0.415 1 1 283 . 4 1 1 A 36 36 THR N N 36 116.864 123.211 -6.347 1 1 284 . 4 1 1 A 36 36 THR H H 36 8.425 8.067 0.358 1 1 285 . 4 1 1 A 36 36 THR CA C 36 62.841 64.716 -1.875 1 1 286 . 4 1 1 A 36 36 THR HA H 36 3.701 4.021 -0.320 1 1 287 . 4 1 1 A 36 36 THR CB C 36 68.447 67.976 0.471 1 1 293 . 4 1 1 A 36 36 THR C C 36 175.396 175.523 -0.127 1 1 294 . 4 1 1 A 37 37 GLY N N 37 107.461 114.234 -6.773 1 1 295 . 4 1 1 A 37 37 GLY H H 37 8.548 8.722 -0.174 1 1 296 . 4 1 1 A 37 37 GLY CA C 37 45.434 45.152 0.282 1 1 297 . 4 1 1 A 37 37 GLY HA3 H 37 3.386 3.977 -0.591 1 1 298 . 4 1 1 A 37 37 GLY C C 37 172.598 174.220 -1.622 1 1 299 . 4 1 1 A 37 37 GLY HA2 H 37 4.024 3.975 0.049 1 1 300 . 4 1 1 A 38 38 ILE N N 38 122.313 122.092 0.221 1 1 301 . 4 1 1 A 38 38 ILE H H 38 7.871 7.599 0.272 1 1 302 . 4 1 1 A 38 38 ILE CA C 38 58.566 59.756 -1.190 1 1 303 . 4 1 1 A 38 38 ILE HA H 38 4.274 4.510 -0.236 1 1 304 . 4 1 1 A 38 38 ILE CB C 38 38.476 39.803 -1.327 1 1 316 . 4 1 1 A 38 38 ILE C C 38 175.081 174.411 0.670 1 1 318 . 4 1 1 A 39 39 GLN N N 39 127.942 125.604 2.338 1 1 319 . 4 1 1 A 39 39 GLN H H 39 8.487 8.636 -0.149 1 1 320 . 4 1 1 A 39 39 GLN CA C 39 57.394 54.079 3.315 1 1 321 . 4 1 1 A 39 39 GLN HA H 39 4.312 4.932 -0.620 1 1 322 . 4 1 1 A 39 39 GLN CB C 39 31.057 31.202 -0.145 1 1 329 . 4 1 1 A 39 39 GLN C C 39 176.011 174.694 1.317 1 1 332 . 4 1 1 A 40 40 SER N N 40 125.784 123.701 2.083 1 1 333 . 4 1 1 A 40 40 SER H H 40 9.167 8.053 1.114 1 1 334 . 4 1 1 A 40 40 SER CA C 40 58.188 57.047 1.141 1 1 335 . 4 1 1 A 40 40 SER HA H 40 4.633 5.264 -0.631 1 1 336 . 4 1 1 A 40 40 SER CB C 40 66.149 65.871 0.278 1 1 338 . 4 1 1 A 40 40 SER C C 40 172.625 172.988 -0.363 1 1 340 . 4 1 1 A 41 41 GLU N N 41 117.679 119.399 -1.720 1 1 341 . 4 1 1 A 41 41 GLU H H 41 8.773 9.174 -0.401 1 1 342 . 4 1 1 A 41 41 GLU CA C 41 54.060 54.578 -0.518 1 1 343 . 4 1 1 A 41 41 GLU HA H 41 5.629 5.223 0.406 1 1 344 . 4 1 1 A 41 41 GLU CB C 41 34.053 33.290 0.763 1 1 348 . 4 1 1 A 41 41 GLU C C 41 175.607 175.062 0.545 1 1 351 . 4 1 1 A 42 42 PHE N N 42 116.557 117.397 -0.840 1 1 352 . 4 1 1 A 42 42 PHE H H 42 8.753 7.992 0.761 1 1 353 . 4 1 1 A 42 42 PHE CA C 42 56.847 55.288 1.559 1 1 354 . 4 1 1 A 42 42 PHE HA H 42 4.743 5.410 -0.667 1 1 355 . 4 1 1 A 42 42 PHE CB C 42 40.908 42.217 -1.309 1 1 367 . 4 1 1 A 42 42 PHE C C 42 170.204 173.017 -2.813 1 1 369 . 4 1 1 A 43 43 PHE N N 43 118.643 122.010 -3.367 1 1 370 . 4 1 1 A 43 43 PHE H H 43 9.234 8.490 0.744 1 1 371 . 4 1 1 A 43 43 PHE CA C 43 57.292 57.435 -0.143 1 1 372 . 4 1 1 A 43 43 PHE HA H 43 5.041 4.648 0.393 1 1 373 . 4 1 1 A 43 43 PHE CB C 43 42.583 40.157 2.426 1 1 385 . 4 1 1 A 43 43 PHE C C 43 174.177 175.330 -1.153 1 1 387 . 4 1 1 A 44 44 ILE N N 44 120.124 122.799 -2.675 1 1 388 . 4 1 1 A 44 44 ILE H H 44 8.876 8.874 0.002 1 1 389 . 4 1 1 A 44 44 ILE CA C 44 59.698 60.373 -0.675 1 1 390 . 4 1 1 A 44 44 ILE HA H 44 4.717 4.728 -0.011 1 1 391 . 4 1 1 A 44 44 ILE CB C 44 40.591 39.252 1.339 1 1 403 . 4 1 1 A 44 44 ILE C C 44 174.483 174.561 -0.078 1 1 405 . 4 1 1 A 45 45 ASN N N 45 127.058 126.427 0.631 1 1 406 . 4 1 1 A 45 45 ASN H H 45 9.553 9.279 0.274 1 1 407 . 4 1 1 A 45 45 ASN CA C 45 52.099 52.883 -0.784 1 1 408 . 4 1 1 A 45 45 ASN HA H 45 5.380 4.946 0.434 1 1 409 . 4 1 1 A 45 45 ASN CB C 45 39.596 38.783 0.813 1 1 414 . 4 1 1 A 45 45 ASN C C 45 176.821 175.055 1.766 1 1 416 . 4 1 1 A 46 46 THR H H 46 9.223 8.628 0.595 1 1 417 . 4 1 1 A 46 46 THR CA C 46 61.534 61.019 0.515 1 1 418 . 4 1 1 A 46 46 THR HA H 46 4.368 4.663 -0.295 1 1 419 . 4 1 1 A 46 46 THR CB C 46 68.352 70.092 -1.740 1 1 425 . 4 1 1 A 46 46 THR C C 46 176.816 174.260 2.556 1 1 426 . 4 1 1 A 47 47 THR N N 47 116.732 114.820 1.912 1 1 427 . 4 1 1 A 47 47 THR H H 47 8.368 8.135 0.233 1 1 428 . 4 1 1 A 47 47 THR CA C 47 65.916 63.784 2.132 1 1 429 . 4 1 1 A 47 47 THR HA H 47 4.032 4.164 -0.132 1 1 430 . 4 1 1 A 47 47 THR CB C 47 69.870 68.938 0.932 1 1 436 . 4 1 1 A 47 47 THR C C 47 176.865 175.485 1.380 1 1 437 . 4 1 1 A 48 48 ARG N N 48 119.205 120.439 -1.234 1 1 438 . 4 1 1 A 48 48 ARG H H 48 8.785 7.832 0.953 1 1 439 . 4 1 1 A 48 48 ARG CA C 48 56.273 56.965 -0.692 1 1 440 . 4 1 1 A 48 48 ARG HA H 48 4.488 4.412 0.076 1 1 441 . 4 1 1 A 48 48 ARG CB C 48 30.862 30.811 0.051 1 1 447 . 4 1 1 A 48 48 ARG C C 48 176.314 178.188 -1.874 1 1 451 . 4 1 1 A 49 49 ALA N N 49 120.807 120.312 0.495 1 1 452 . 4 1 1 A 49 49 ALA H H 49 7.440 7.832 -0.392 1 1 453 . 4 1 1 A 49 49 ALA CA C 49 53.138 53.050 0.088 1 1 454 . 4 1 1 A 49 49 ALA HA H 49 4.341 4.105 0.236 1 1 455 . 4 1 1 A 49 49 ALA CB C 49 22.427 19.322 3.105 1 1 459 . 4 1 1 A 49 49 ALA C C 49 177.914 177.881 0.033 1 1 460 . 4 1 1 A 50 50 GLY N N 50 105.941 103.081 2.860 1 1 461 . 4 1 1 A 50 50 GLY H H 50 7.924 7.238 0.686 1 1 462 . 4 1 1 A 50 50 GLY CA C 50 44.229 44.674 -0.445 1 1 463 . 4 1 1 A 50 50 GLY HA3 H 50 4.325 4.135 0.190 1 1 464 . 4 1 1 A 50 50 GLY C C 50 171.089 172.637 -1.548 1 1 465 . 4 1 1 A 50 50 GLY HA2 H 50 3.948 4.104 -0.156 1 1 466 . 4 1 1 A 51 51 PRO CA C 51 63.140 62.847 0.293 1 1 467 . 4 1 1 A 51 51 PRO HA H 51 4.588 4.841 -0.253 1 1 468 . 4 1 1 A 51 51 PRO CB C 51 33.004 31.673 1.331 1 1 477 . 4 1 1 A 52 52 GLY CA C 52 45.195 44.527 0.668 1 1 478 . 4 1 1 A 52 52 GLY HA3 H 52 3.275 4.280 -1.005 1 1 479 . 4 1 1 A 52 52 GLY HA2 H 52 3.852 4.248 -0.396 1 1 480 . 4 1 1 A 53 53 THR N N 53 114.003 115.765 -1.762 1 1 481 . 4 1 1 A 53 53 THR H H 53 8.049 8.525 -0.476 1 1 482 . 4 1 1 A 53 53 THR CA C 53 62.352 62.894 -0.542 1 1 483 . 4 1 1 A 53 53 THR HA H 53 4.436 4.415 0.021 1 1 484 . 4 1 1 A 53 53 THR CB C 53 69.631 69.405 0.226 1 1 490 . 4 1 1 A 54 54 LEU CA C 54 53.891 53.635 0.256 1 1 491 . 4 1 1 A 54 54 LEU HA H 54 5.077 4.297 0.780 1 1 492 . 4 1 1 A 54 54 LEU CB C 54 44.515 42.969 1.546 1 1 503 . 4 1 1 A 55 55 SER N N 55 120.726 122.016 -1.290 1 1 504 . 4 1 1 A 55 55 SER H H 55 8.783 8.784 -0.001 1 1 505 . 4 1 1 A 55 55 SER CA C 55 56.249 56.592 -0.343 1 1 506 . 4 1 1 A 55 55 SER HA H 55 5.092 5.089 0.003 1 1 507 . 4 1 1 A 55 55 SER CB C 55 65.032 64.815 0.217 1 1 509 . 4 1 1 A 55 55 SER C C 55 173.165 172.761 0.404 1 1 511 . 4 1 1 A 56 56 VAL N N 56 126.234 126.270 -0.036 1 1 512 . 4 1 1 A 56 56 VAL H H 56 8.336 8.728 -0.392 1 1 513 . 4 1 1 A 56 56 VAL CA C 56 60.515 60.298 0.217 1 1 514 . 4 1 1 A 56 56 VAL HA H 56 5.134 4.902 0.232 1 1 515 . 4 1 1 A 56 56 VAL CB C 56 34.463 35.466 -1.003 1 1 520 . 4 1 1 A 56 56 VAL C C 56 174.718 173.261 1.457 1 1 521 . 4 1 1 A 57 57 THR N N 57 120.539 121.612 -1.073 1 1 522 . 4 1 1 A 57 57 THR H H 57 8.828 8.787 0.041 1 1 523 . 4 1 1 A 57 57 THR CA C 57 60.580 61.432 -0.852 1 1 524 . 4 1 1 A 57 57 THR HA H 57 5.132 4.964 0.168 1 1 525 . 4 1 1 A 57 57 THR CB C 57 72.187 72.378 -0.191 1 1 531 . 4 1 1 A 57 57 THR C C 57 172.970 173.681 -0.711 1 1 532 . 4 1 1 A 58 58 ILE N N 58 123.949 125.341 -1.392 1 1 533 . 4 1 1 A 58 58 ILE H H 58 9.249 8.796 0.453 1 1 534 . 4 1 1 A 58 58 ILE CA C 58 61.297 59.468 1.829 1 1 535 . 4 1 1 A 58 58 ILE HA H 58 5.001 5.279 -0.278 1 1 536 . 4 1 1 A 58 58 ILE CB C 58 39.755 41.848 -2.093 1 1 548 . 4 1 1 A 58 58 ILE C C 58 174.848 174.174 0.674 1 1 550 . 4 1 1 A 59 59 GLU N N 59 129.027 127.437 1.590 1 1 551 . 4 1 1 A 59 59 GLU H H 59 8.966 9.246 -0.280 1 1 552 . 4 1 1 A 59 59 GLU CA C 59 53.911 54.377 -0.466 1 1 553 . 4 1 1 A 59 59 GLU HA H 59 5.427 5.188 0.239 1 1 554 . 4 1 1 A 59 59 GLU CB C 59 33.843 33.198 0.645 1 1 558 . 4 1 1 A 59 59 GLU C C 59 175.342 175.100 0.242 1 1 561 . 4 1 1 A 60 60 GLY N N 60 110.765 110.516 0.249 1 1 562 . 4 1 1 A 60 60 GLY H H 60 8.597 8.150 0.447 1 1 563 . 4 1 1 A 60 60 GLY CA C 60 45.997 44.707 1.290 1 1 564 . 4 1 1 A 60 60 GLY HA3 H 60 3.908 3.779 0.129 1 1 565 . 4 1 1 A 60 60 GLY C C 60 171.205 173.958 -2.753 1 1 566 . 4 1 1 A 60 60 GLY HA2 H 60 3.685 3.199 0.486 1 1 567 . 4 1 1 A 61 61 PRO CA C 61 64.057 64.200 -0.143 1 1 568 . 4 1 1 A 61 61 PRO HA H 61 4.415 4.346 0.069 1 1 569 . 4 1 1 A 61 61 PRO CB C 61 32.143 31.999 0.144 1 1 575 . 4 1 1 A 61 61 PRO C C 61 175.925 176.493 -0.568 1 1 579 . 4 1 1 A 62 62 SER N N 62 108.413 114.054 -5.641 1 1 580 . 4 1 1 A 62 62 SER H H 62 7.144 7.788 -0.644 1 1 581 . 4 1 1 A 62 62 SER CA C 62 57.037 57.983 -0.946 1 1 582 . 4 1 1 A 62 62 SER HA H 62 4.596 4.847 -0.251 1 1 583 . 4 1 1 A 62 62 SER CB C 62 66.522 65.179 1.343 1 1 585 . 4 1 1 A 62 62 SER C C 62 172.446 174.076 -1.630 1 1 587 . 4 1 1 A 63 63 LYS N N 63 122.539 125.522 -2.983 1 1 588 . 4 1 1 A 63 63 LYS H H 63 8.620 8.619 0.001 1 1 589 . 4 1 1 A 63 63 LYS CA C 63 56.407 57.558 -1.151 1 1 590 . 4 1 1 A 63 63 LYS HA H 63 4.267 4.298 -0.031 1 1 591 . 4 1 1 A 63 63 LYS CB C 63 32.576 33.160 -0.584 1 1 596 . 4 1 1 A 63 63 LYS C C 63 176.658 176.373 0.285 1 1 601 . 4 1 1 A 64 64 VAL N N 64 120.278 118.324 1.954 1 1 602 . 4 1 1 A 64 64 VAL H H 64 8.554 8.815 -0.261 1 1 603 . 4 1 1 A 64 64 VAL CA C 64 60.425 58.953 1.472 1 1 604 . 4 1 1 A 64 64 VAL HA H 64 4.460 4.901 -0.441 1 1 605 . 4 1 1 A 64 64 VAL CB C 64 32.938 35.855 -2.917 1 1 615 . 4 1 1 A 64 64 VAL C C 64 176.629 174.403 2.226 1 1 616 . 4 1 1 A 65 65 LYS N N 65 121.529 123.165 -1.636 1 1 617 . 4 1 1 A 65 65 LYS H H 65 8.139 8.615 -0.476 1 1 618 . 4 1 1 A 65 65 LYS CA C 65 56.181 55.416 0.765 1 1 619 . 4 1 1 A 65 65 LYS HA H 65 4.474 4.709 -0.235 1 1 620 . 4 1 1 A 65 65 LYS CB C 65 32.960 32.655 0.305 1 1 627 . 4 1 1 A 65 65 LYS C C 65 176.309 175.807 0.502 1 1 632 . 4 1 1 A 66 66 MET N N 66 125.382 125.495 -0.113 1 1 633 . 4 1 1 A 66 66 MET H H 66 8.811 8.497 0.314 1 1 634 . 4 1 1 A 66 66 MET CA C 66 55.055 54.676 0.379 1 1 635 . 4 1 1 A 66 66 MET HA H 66 5.393 5.187 0.206 1 1 636 . 4 1 1 A 66 66 MET CB C 66 37.398 34.028 3.370 1 1 644 . 4 1 1 A 66 66 MET C C 66 174.026 174.957 -0.931 1 1 647 . 4 1 1 A 67 67 ASP N N 67 122.714 120.467 2.247 1 1 648 . 4 1 1 A 67 67 ASP H H 67 8.995 8.416 0.579 1 1 649 . 4 1 1 A 67 67 ASP CA C 67 53.231 52.995 0.236 1 1 650 . 4 1 1 A 67 67 ASP HA H 67 4.854 5.172 -0.318 1 1 651 . 4 1 1 A 67 67 ASP CB C 67 44.980 42.048 2.932 1 1 654 . 4 1 1 A 68 68 CYS H H 68 8.412 8.710 -0.298 1 1 655 . 4 1 1 A 68 68 CYS CA C 68 56.390 59.019 -2.629 1 1 656 . 4 1 1 A 68 68 CYS HA H 68 5.288 4.799 0.489 1 1 657 . 4 1 1 A 68 68 CYS CB C 68 28.188 28.439 -0.251 1 1 660 . 4 1 1 A 69 69 GLN N N 69 125.044 123.151 1.893 1 1 661 . 4 1 1 A 69 69 GLN H H 69 9.116 8.430 0.686 1 1 662 . 4 1 1 A 69 69 GLN CA C 69 56.403 55.466 0.937 1 1 663 . 4 1 1 A 69 69 GLN HA H 69 5.290 4.596 0.694 1 1 664 . 4 1 1 A 69 69 GLN CB C 69 32.962 31.998 0.964 1 1 671 . 4 1 1 A 70 70 GLU N N 70 125.781 124.717 1.064 1 1 672 . 4 1 1 A 70 70 GLU H H 70 8.979 8.771 0.208 1 1 673 . 4 1 1 A 70 70 GLU CA C 70 56.418 56.739 -0.321 1 1 674 . 4 1 1 A 70 70 GLU HA H 70 4.029 4.439 -0.410 1 1 675 . 4 1 1 A 70 70 GLU CB C 70 30.585 29.997 0.588 1 1 681 . 4 1 1 A 71 71 THR N N 71 118.158 112.595 5.563 1 1 682 . 4 1 1 A 71 71 THR H H 71 8.455 8.082 0.373 1 1 683 . 4 1 1 A 71 71 THR CA C 71 59.209 58.462 0.747 1 1 684 . 4 1 1 A 71 71 THR HA H 71 4.902 4.994 -0.092 1 1 685 . 4 1 1 A 71 71 THR CB C 71 68.926 70.347 -1.421 1 1 691 . 4 1 1 A 72 72 PRO CA C 72 65.290 64.311 0.979 1 1 692 . 4 1 1 A 72 72 PRO HA H 72 4.296 4.514 -0.218 1 1 693 . 4 1 1 A 72 72 PRO CB C 72 31.848 31.694 0.154 1 1 699 . 4 1 1 A 72 72 PRO C C 72 177.476 177.713 -0.237 1 1 703 . 4 1 1 A 73 73 GLU N N 73 112.293 117.939 -5.646 1 1 704 . 4 1 1 A 73 73 GLU H H 73 7.562 8.426 -0.864 1 1 705 . 4 1 1 A 73 73 GLU CA C 73 55.577 57.158 -1.581 1 1 706 . 4 1 1 A 73 73 GLU HA H 73 4.370 4.349 0.021 1 1 707 . 4 1 1 A 73 73 GLU CB C 73 30.787 31.181 -0.394 1 1 711 . 4 1 1 A 73 73 GLU C C 73 174.438 176.214 -1.776 1 1 714 . 4 1 1 A 74 74 GLY N N 74 109.223 107.040 2.183 1 1 715 . 4 1 1 A 74 74 GLY H H 74 7.324 7.037 0.287 1 1 716 . 4 1 1 A 74 74 GLY CA C 74 47.146 45.828 1.318 1 1 717 . 4 1 1 A 74 74 GLY HA3 H 74 3.551 3.808 -0.257 1 1 718 . 4 1 1 A 74 74 GLY C C 74 172.589 170.912 1.677 1 1 719 . 4 1 1 A 74 74 GLY HA2 H 74 4.949 3.601 1.348 1 1 720 . 4 1 1 A 75 75 TYR N N 75 123.117 120.419 2.698 1 1 721 . 4 1 1 A 75 75 TYR H H 75 8.883 8.303 0.580 1 1 722 . 4 1 1 A 75 75 TYR CA C 75 57.566 56.299 1.267 1 1 723 . 4 1 1 A 75 75 TYR HA H 75 5.171 5.252 -0.081 1 1 724 . 4 1 1 A 75 75 TYR CB C 75 44.111 41.068 3.043 1 1 734 . 4 1 1 A 75 75 TYR C C 75 173.925 173.985 -0.060 1 1 736 . 4 1 1 A 76 76 LYS N N 76 124.633 125.802 -1.169 1 1 737 . 4 1 1 A 76 76 LYS H H 76 9.390 8.963 0.427 1 1 738 . 4 1 1 A 76 76 LYS CA C 76 55.055 55.299 -0.244 1 1 739 . 4 1 1 A 76 76 LYS HA H 76 4.594 4.512 0.082 1 1 740 . 4 1 1 A 76 76 LYS CB C 76 35.124 34.194 0.930 1 1 748 . 4 1 1 A 76 76 LYS C C 76 174.069 175.251 -1.182 1 1 753 . 4 1 1 A 77 77 VAL N N 77 126.947 126.395 0.552 1 1 754 . 4 1 1 A 77 77 VAL H H 77 8.607 8.482 0.125 1 1 755 . 4 1 1 A 77 77 VAL CA C 77 60.894 60.566 0.328 1 1 756 . 4 1 1 A 77 77 VAL HA H 77 4.280 4.795 -0.515 1 1 757 . 4 1 1 A 77 77 VAL CB C 77 32.115 34.551 -2.436 1 1 767 . 4 1 1 A 77 77 VAL C C 77 173.586 174.822 -1.236 1 1 768 . 4 1 1 A 78 78 MET N N 78 123.986 124.642 -0.656 1 1 769 . 4 1 1 A 78 78 MET H H 78 8.410 8.732 -0.322 1 1 770 . 4 1 1 A 78 78 MET CA C 78 53.236 54.295 -1.059 1 1 771 . 4 1 1 A 78 78 MET HA H 78 5.290 5.249 0.041 1 1 772 . 4 1 1 A 78 78 MET CB C 78 36.873 35.883 0.990 1 1 780 . 4 1 1 A 78 78 MET C C 78 174.665 174.410 0.255 1 1 783 . 4 1 1 A 79 79 TYR N N 79 117.488 119.665 -2.177 1 1 784 . 4 1 1 A 79 79 TYR H H 79 8.739 8.332 0.407 1 1 785 . 4 1 1 A 79 79 TYR CA C 79 56.011 55.660 0.351 1 1 786 . 4 1 1 A 79 79 TYR HA H 79 5.654 5.634 0.020 1 1 787 . 4 1 1 A 79 79 TYR CB C 79 41.549 42.354 -0.805 1 1 797 . 4 1 1 A 79 79 TYR C C 79 172.927 173.791 -0.864 1 1 799 . 4 1 1 A 80 80 THR H H 80 8.383 8.977 -0.594 1 1 800 . 4 1 1 A 80 80 THR CA C 80 58.611 58.970 -0.359 1 1 801 . 4 1 1 A 80 80 THR HA H 80 4.978 4.705 0.273 1 1 802 . 4 1 1 A 80 80 THR CB C 80 70.258 70.942 -0.684 1 1 808 . 4 1 1 A 81 81 PRO CA C 81 61.531 62.969 -1.438 1 1 809 . 4 1 1 A 81 81 PRO HA H 81 4.532 4.707 -0.175 1 1 810 . 4 1 1 A 81 81 PRO CB C 81 32.774 32.009 0.765 1 1 819 . 4 1 1 A 82 82 MET N N 82 117.590 118.738 -1.148 1 1 820 . 4 1 1 A 82 82 MET H H 82 8.299 8.922 -0.623 1 1 821 . 4 1 1 A 82 82 MET CA C 82 53.882 57.226 -3.344 1 1 822 . 4 1 1 A 82 82 MET HA H 82 4.851 4.605 0.246 1 1 823 . 4 1 1 A 82 82 MET CB C 82 33.337 34.761 -1.424 1 1 831 . 4 1 1 A 82 82 MET C C 82 174.339 176.155 -1.816 1 1 834 . 4 1 1 A 83 83 ALA N N 83 119.196 120.985 -1.789 1 1 835 . 4 1 1 A 83 83 ALA H H 83 7.076 7.823 -0.747 1 1 836 . 4 1 1 A 83 83 ALA CA C 83 49.425 49.466 -0.041 1 1 837 . 4 1 1 A 83 83 ALA HA H 83 4.791 4.750 0.041 1 1 838 . 4 1 1 A 83 83 ALA CB C 83 20.682 20.640 0.042 1 1 842 . 4 1 1 A 83 83 ALA C C 83 174.364 175.460 -1.096 1 1 843 . 4 1 1 A 84 84 PRO CA C 84 62.540 63.304 -0.764 1 1 844 . 4 1 1 A 84 84 PRO HA H 84 4.244 4.470 -0.226 1 1 845 . 4 1 1 A 84 84 PRO CB C 84 32.615 33.312 -0.697 1 1 851 . 4 1 1 A 84 84 PRO C C 84 174.214 176.100 -1.886 1 1 855 . 4 1 1 A 85 85 GLY N N 85 105.436 108.247 -2.811 1 1 856 . 4 1 1 A 85 85 GLY H H 85 8.855 8.605 0.250 1 1 857 . 4 1 1 A 85 85 GLY CA C 85 44.156 44.498 -0.342 1 1 858 . 4 1 1 A 85 85 GLY HA3 H 85 3.761 4.248 -0.487 1 1 859 . 4 1 1 A 85 85 GLY C C 85 171.801 172.891 -1.090 1 1 860 . 4 1 1 A 85 85 GLY HA2 H 85 4.515 4.205 0.310 1 1 861 . 4 1 1 A 86 86 ASN N N 86 119.042 118.016 1.026 1 1 862 . 4 1 1 A 86 86 ASN H H 86 8.573 8.581 -0.008 1 1 863 . 4 1 1 A 86 86 ASN CA C 86 52.499 51.782 0.717 1 1 864 . 4 1 1 A 86 86 ASN HA H 86 5.517 5.760 -0.243 1 1 865 . 4 1 1 A 86 86 ASN CB C 86 39.390 40.718 -1.328 1 1 870 . 4 1 1 A 86 86 ASN C C 86 174.453 174.097 0.356 1 1 872 . 4 1 1 A 87 87 TYR N N 87 122.992 121.699 1.293 1 1 873 . 4 1 1 A 87 87 TYR H H 87 9.369 8.977 0.392 1 1 874 . 4 1 1 A 87 87 TYR CA C 87 56.366 56.630 -0.264 1 1 875 . 4 1 1 A 87 87 TYR HA H 87 5.140 5.448 -0.308 1 1 876 . 4 1 1 A 87 87 TYR CB C 87 40.267 43.145 -2.878 1 1 886 . 4 1 1 A 87 87 TYR C C 87 174.332 174.213 0.119 1 1 888 . 4 1 1 A 88 88 LEU N N 88 124.720 122.698 2.022 1 1 889 . 4 1 1 A 88 88 LEU H H 88 9.306 9.162 0.144 1 1 890 . 4 1 1 A 88 88 LEU CA C 88 53.426 53.656 -0.230 1 1 891 . 4 1 1 A 88 88 LEU HA H 88 5.253 5.507 -0.254 1 1 892 . 4 1 1 A 88 88 LEU CB C 88 44.487 46.118 -1.631 1 1 904 . 4 1 1 A 88 88 LEU C C 88 177.074 174.453 2.621 1 1 906 . 4 1 1 A 89 89 ILE N N 89 130.469 126.843 3.626 1 1 907 . 4 1 1 A 89 89 ILE H H 89 9.807 8.685 1.122 1 1 908 . 4 1 1 A 89 89 ILE CA C 89 60.792 60.096 0.696 1 1 909 . 4 1 1 A 89 89 ILE HA H 89 4.851 4.757 0.094 1 1 910 . 4 1 1 A 89 89 ILE CB C 89 39.662 40.072 -0.410 1 1 922 . 4 1 1 A 89 89 ILE C C 89 175.605 175.318 0.287 1 1 924 . 4 1 1 A 90 90 SER N N 90 123.845 122.347 1.498 1 1 925 . 4 1 1 A 90 90 SER H H 90 9.540 9.113 0.427 1 1 926 . 4 1 1 A 90 90 SER CA C 90 58.036 56.789 1.247 1 1 927 . 4 1 1 A 90 90 SER HA H 90 5.199 5.142 0.057 1 1 928 . 4 1 1 A 90 90 SER CB C 90 64.133 64.834 -0.701 1 1 930 . 4 1 1 A 90 90 SER C C 90 173.566 174.119 -0.553 1 1 932 . 4 1 1 A 91 91 VAL N N 91 128.427 122.792 5.635 1 1 933 . 4 1 1 A 91 91 VAL H H 91 9.918 8.286 1.632 1 1 934 . 4 1 1 A 91 91 VAL CA C 91 61.447 61.444 0.003 1 1 935 . 4 1 1 A 91 91 VAL HA H 91 4.837 4.949 -0.112 1 1 936 . 4 1 1 A 91 91 VAL CB C 91 33.761 35.011 -1.250 1 1 946 . 4 1 1 A 91 91 VAL C C 91 173.296 174.965 -1.669 1 1 947 . 4 1 1 A 92 92 LYS N N 92 125.779 125.427 0.352 1 1 948 . 4 1 1 A 92 92 LYS H H 92 8.892 8.981 -0.089 1 1 949 . 4 1 1 A 92 92 LYS CA C 92 54.468 54.709 -0.241 1 1 950 . 4 1 1 A 92 92 LYS HA H 92 5.065 4.996 0.069 1 1 951 . 4 1 1 A 92 92 LYS CB C 92 36.106 37.150 -1.044 1 1 959 . 4 1 1 A 92 92 LYS C C 92 175.189 174.700 0.489 1 1 964 . 4 1 1 A 93 93 TYR N N 93 120.251 119.685 0.566 1 1 965 . 4 1 1 A 93 93 TYR H H 93 8.061 8.772 -0.711 1 1 966 . 4 1 1 A 93 93 TYR CA C 93 56.884 55.779 1.105 1 1 967 . 4 1 1 A 93 93 TYR HA H 93 5.522 5.487 0.035 1 1 968 . 4 1 1 A 93 93 TYR CB C 93 44.120 40.824 3.296 1 1 978 . 4 1 1 A 93 93 TYR C C 93 175.517 175.149 0.368 1 1 980 . 4 1 1 A 94 94 GLY N N 94 114.148 111.553 2.595 1 1 981 . 4 1 1 A 94 94 GLY H H 94 8.274 8.653 -0.379 1 1 982 . 4 1 1 A 94 94 GLY CA C 94 45.959 47.005 -1.046 1 1 983 . 4 1 1 A 94 94 GLY HA3 H 94 3.705 3.814 -0.109 1 1 984 . 4 1 1 A 94 94 GLY C C 94 173.595 173.518 0.077 1 1 985 . 4 1 1 A 94 94 GLY HA2 H 94 3.877 3.804 0.073 1 1 986 . 4 1 1 A 95 95 GLY N N 95 107.010 107.124 -0.114 1 1 987 . 4 1 1 A 95 95 GLY H H 95 7.452 7.745 -0.293 1 1 988 . 4 1 1 A 95 95 GLY CA C 95 43.954 45.011 -1.057 1 1 989 . 4 1 1 A 95 95 GLY HA3 H 95 3.618 4.028 -0.410 1 1 990 . 4 1 1 A 95 95 GLY C C 95 172.825 173.905 -1.080 1 1 991 . 4 1 1 A 95 95 GLY HA2 H 95 4.507 3.918 0.589 1 1 992 . 4 1 1 A 96 96 PRO CA C 96 63.221 64.216 -0.995 1 1 993 . 4 1 1 A 96 96 PRO HA H 96 4.413 4.425 -0.012 1 1 994 . 4 1 1 A 96 96 PRO CB C 96 30.955 31.865 -0.910 1 1 1000 . 4 1 1 A 96 96 PRO C C 96 175.901 176.409 -0.508 1 1 1004 . 4 1 1 A 97 97 ASN N N 97 119.942 117.428 2.514 1 1 1005 . 4 1 1 A 97 97 ASN H H 97 8.172 7.889 0.283 1 1 1006 . 4 1 1 A 97 97 ASN CA C 97 52.914 54.228 -1.314 1 1 1007 . 4 1 1 A 97 97 ASN HA H 97 4.864 4.769 0.095 1 1 1008 . 4 1 1 A 97 97 ASN CB C 97 39.806 39.141 0.665 1 1 1013 . 4 1 1 A 97 97 ASN C C 97 174.285 175.323 -1.038 1 1 1015 . 4 1 1 A 98 98 HIS N N 98 121.803 118.113 3.690 1 1 1016 . 4 1 1 A 98 98 HIS H H 98 8.456 8.375 0.081 1 1 1017 . 4 1 1 A 98 98 HIS CA C 98 58.023 53.317 4.706 1 1 1018 . 4 1 1 A 98 98 HIS HA H 98 4.475 5.631 -1.156 1 1 1019 . 4 1 1 A 98 98 HIS CB C 98 33.382 33.135 0.247 1 1 1025 . 4 1 1 A 98 98 HIS C C 98 177.938 175.053 2.885 1 1 1027 . 4 1 1 A 99 99 ILE N N 99 115.599 115.968 -0.369 1 1 1028 . 4 1 1 A 99 99 ILE H H 99 8.237 8.086 0.151 1 1 1029 . 4 1 1 A 99 99 ILE CA C 99 60.895 59.475 1.420 1 1 1030 . 4 1 1 A 99 99 ILE HA H 99 4.545 4.525 0.020 1 1 1031 . 4 1 1 A 99 99 ILE CB C 99 38.675 40.478 -1.803 1 1 1043 . 4 1 1 A 99 99 ILE C C 99 176.165 176.066 0.099 1 1 1045 . 4 1 1 A 100 100 VAL H H 100 8.389 8.529 -0.140 1 1 1046 . 4 1 1 A 100 100 VAL CA C 100 65.835 65.485 0.350 1 1 1047 . 4 1 1 A 100 100 VAL HA H 100 3.673 3.574 0.099 1 1 1048 . 4 1 1 A 100 100 VAL CB C 100 31.169 31.377 -0.208 1 1 1058 . 4 1 1 A 101 101 GLY N N 101 116.014 115.782 0.232 1 1 1059 . 4 1 1 A 101 101 GLY H H 101 8.297 8.864 -0.567 1 1 1060 . 4 1 1 A 101 101 GLY CA C 101 44.626 44.953 -0.327 1 1 1061 . 4 1 1 A 101 101 GLY HA3 H 101 3.227 3.884 -0.657 1 1 1062 . 4 1 1 A 101 101 GLY C C 101 171.863 173.745 -1.882 1 1 1063 . 4 1 1 A 101 101 GLY HA2 H 101 4.207 3.830 0.377 1 1 1064 . 4 1 1 A 102 102 SER N N 102 111.977 117.651 -5.674 1 1 1065 . 4 1 1 A 102 102 SER H H 102 7.304 7.123 0.181 1 1 1066 . 4 1 1 A 102 102 SER CA C 102 54.570 55.339 -0.769 1 1 1067 . 4 1 1 A 102 102 SER HA H 102 3.915 3.994 -0.079 1 1 1068 . 4 1 1 A 102 102 SER CB C 102 62.569 63.943 -1.374 1 1 1071 . 4 1 1 A 103 103 PRO CA C 103 62.215 62.220 -0.005 1 1 1072 . 4 1 1 A 103 103 PRO HA H 103 5.475 4.460 1.015 1 1 1073 . 4 1 1 A 103 103 PRO CB C 103 33.552 32.102 1.450 1 1 1079 . 4 1 1 A 103 103 PRO C C 103 175.646 175.317 0.329 1 1 1083 . 4 1 1 A 104 104 PHE N N 104 123.291 120.560 2.731 1 1 1084 . 4 1 1 A 104 104 PHE H H 104 9.465 8.288 1.177 1 1 1085 . 4 1 1 A 104 104 PHE CA C 104 57.015 57.296 -0.281 1 1 1086 . 4 1 1 A 104 104 PHE HA H 104 4.531 4.906 -0.375 1 1 1087 . 4 1 1 A 104 104 PHE CB C 104 40.607 40.439 0.168 1 1 1099 . 4 1 1 A 104 104 PHE C C 104 175.305 175.029 0.276 1 1 1101 . 4 1 1 A 105 105 LYS N N 105 123.989 125.056 -1.067 1 1 1102 . 4 1 1 A 105 105 LYS H H 105 8.712 9.055 -0.343 1 1 1103 . 4 1 1 A 105 105 LYS CA C 105 55.868 55.307 0.561 1 1 1104 . 4 1 1 A 105 105 LYS HA H 105 4.913 4.694 0.219 1 1 1105 . 4 1 1 A 105 105 LYS CB C 105 32.762 31.516 1.246 1 1 1113 . 4 1 1 A 105 105 LYS C C 105 174.065 175.623 -1.558 1 1 1118 . 4 1 1 A 106 106 ALA N N 106 129.654 127.626 2.028 1 1 1119 . 4 1 1 A 106 106 ALA H H 106 8.964 8.153 0.811 1 1 1120 . 4 1 1 A 106 106 ALA CA C 106 50.325 51.552 -1.227 1 1 1121 . 4 1 1 A 106 106 ALA HA H 106 4.497 4.769 -0.272 1 1 1122 . 4 1 1 A 106 106 ALA CB C 106 20.496 20.810 -0.314 1 1 1126 . 4 1 1 A 106 106 ALA C C 106 176.111 175.968 0.143 1 1 1127 . 4 1 1 A 107 107 LYS N N 107 124.155 121.212 2.943 1 1 1128 . 4 1 1 A 107 107 LYS H H 107 7.955 8.661 -0.706 1 1 1129 . 4 1 1 A 107 107 LYS CA C 107 55.904 54.746 1.158 1 1 1130 . 4 1 1 A 107 107 LYS HA H 107 4.950 5.119 -0.169 1 1 1131 . 4 1 1 A 107 107 LYS CB C 107 33.755 35.864 -2.109 1 1 1139 . 4 1 1 A 107 107 LYS C C 107 175.350 174.928 0.422 1 1 1144 . 4 1 1 A 108 108 VAL N N 108 128.726 126.875 1.851 1 1 1145 . 4 1 1 A 108 108 VAL H H 108 9.373 9.403 -0.030 1 1 1146 . 4 1 1 A 108 108 VAL CA C 108 60.804 61.325 -0.521 1 1 1147 . 4 1 1 A 108 108 VAL HA H 108 4.851 5.087 -0.236 1 1 1148 . 4 1 1 A 108 108 VAL CB C 108 33.175 32.757 0.418 1 1 1158 . 4 1 1 A 108 108 VAL C C 108 177.017 175.581 1.436 1 1 1159 . 4 1 1 A 109 109 THR N N 109 121.067 117.469 3.598 1 1 1160 . 4 1 1 A 109 109 THR H H 109 8.527 8.459 0.068 1 1 1161 . 4 1 1 A 109 109 THR CA C 109 60.138 59.612 0.526 1 1 1162 . 4 1 1 A 109 109 THR HA H 109 4.864 5.084 -0.220 1 1 1163 . 4 1 1 A 109 109 THR CB C 109 70.960 71.442 -0.482 1 1 1169 . 4 1 1 A 109 109 THR C C 109 173.130 173.446 -0.316 1 1 1170 . 4 1 1 A 110 110 GLY N N 110 106.893 108.829 -1.936 1 1 1171 . 4 1 1 A 110 110 GLY H H 110 8.404 8.514 -0.110 1 1 1172 . 4 1 1 A 110 110 GLY CA C 110 43.888 44.900 -1.012 1 1 1173 . 4 1 1 A 110 110 GLY HA3 H 110 3.851 4.196 -0.345 1 1 1174 . 4 1 1 A 110 110 GLY C C 110 173.870 173.176 0.694 1 1 1175 . 4 1 1 A 110 110 GLY HA2 H 110 4.773 4.192 0.581 1 1 1176 . 4 1 1 A 111 111 GLN N N 111 116.999 121.792 -4.793 1 1 1177 . 4 1 1 A 111 111 GLN H H 111 8.234 8.498 -0.264 1 1 1178 . 4 1 1 A 111 111 GLN CA C 111 55.230 56.953 -1.723 1 1 1179 . 4 1 1 A 111 111 GLN HA H 111 4.269 4.263 0.006 1 1 1180 . 4 1 1 A 111 111 GLN CB C 111 30.118 28.941 1.177 1 1 1187 . 4 1 1 A 111 111 GLN C C 111 176.550 176.260 0.290 1 1 1190 . 4 1 1 A 112 112 ARG N N 112 122.131 123.787 -1.656 1 1 1191 . 4 1 1 A 112 112 ARG H H 112 8.832 8.400 0.432 1 1 1192 . 4 1 1 A 112 112 ARG CA C 112 57.384 56.434 0.950 1 1 1193 . 4 1 1 A 112 112 ARG HA H 112 4.300 4.186 0.114 1 1 1194 . 4 1 1 A 112 112 ARG CB C 112 30.059 30.505 -0.446 1 1 1200 . 4 1 1 A 112 112 ARG C C 112 175.836 175.832 0.004 1 1 1204 . 4 1 1 A 113 113 LEU N N 113 126.764 124.112 2.652 1 1 1205 . 4 1 1 A 113 113 LEU H H 113 8.424 8.108 0.316 1 1 1206 . 4 1 1 A 113 113 LEU CA C 113 54.919 53.545 1.374 1 1 1207 . 4 1 1 A 113 113 LEU HA H 113 4.517 4.835 -0.318 1 1 1208 . 4 1 1 A 113 113 LEU CB C 113 42.706 41.844 0.862 1 1 1220 . 4 1 1 A 113 113 LEU C C 113 176.521 175.613 0.908 1 1 1222 . 4 1 1 A 116 116 PRO CA C 116 63.729 63.895 -0.166 1 1 1223 . 4 1 1 A 116 116 PRO HA H 116 4.436 4.423 0.013 1 1 1224 . 4 1 1 A 116 116 PRO CB C 116 32.182 31.974 0.208 1 1 1233 . 4 1 1 A 117 117 GLY N N 117 110.092 109.446 0.646 1 1 1234 . 4 1 1 A 117 117 GLY H H 117 8.493 8.013 0.480 1 1 1235 . 4 1 1 A 118 118 SER CA C 118 58.420 58.423 -0.003 1 1 1236 . 4 1 1 A 118 118 SER HA H 118 4.454 4.415 0.039 1 1 1237 . 4 1 1 A 118 118 SER CB C 118 64.014 64.197 -0.183 1 1 1239 . 4 1 1 A 118 118 SER C C 118 174.495 173.870 0.625 1 1 1241 . 4 1 1 A 119 119 ALA N N 119 125.244 126.357 -1.113 1 1 1242 . 4 1 1 A 119 119 ALA H H 119 8.365 8.620 -0.255 1 1 1243 . 4 1 1 A 119 119 ALA CA C 119 52.697 50.323 2.374 1 1 1244 . 4 1 1 A 119 119 ALA HA H 119 4.333 5.092 -0.759 1 1 1245 . 4 1 1 A 119 119 ALA CB C 119 19.378 21.186 -1.808 1 1 1249 . 4 1 1 A 119 119 ALA C C 119 177.362 176.084 1.278 1 1 1250 . 4 1 1 A 120 120 ASN N N 120 117.122 120.698 -3.576 1 1 1251 . 4 1 1 A 120 120 ASN H H 120 8.311 8.952 -0.641 1 1 1252 . 4 1 1 A 120 120 ASN CA C 120 53.198 51.676 1.522 1 1 1253 . 4 1 1 A 120 120 ASN HA H 120 4.659 5.481 -0.822 1 1 1254 . 4 1 1 A 120 120 ASN CB C 120 38.852 42.411 -3.559 1 1 1259 . 4 1 1 A 120 120 ASN C C 120 175.112 172.774 2.338 1 1 1261 . 4 1 1 A 122 122 THR CA C 122 61.947 62.138 -0.191 1 1 1262 . 4 1 1 A 122 122 THR HA H 122 4.197 5.110 -0.913 1 1 1263 . 4 1 1 A 122 122 THR CB C 122 69.949 70.496 -0.547 1 1 1 . 5 1 1 A 9 9 LYS N N 9 120.806 122.620 -1.814 1 1 2 . 5 1 1 A 9 9 LYS H H 9 8.548 8.815 -0.267 1 1 3 . 5 1 1 A 9 9 LYS CA C 9 56.358 55.002 1.356 1 1 4 . 5 1 1 A 9 9 LYS HA H 9 4.261 5.018 -0.757 1 1 5 . 5 1 1 A 9 9 LYS CB C 9 32.673 34.632 -1.959 1 1 17 . 5 1 1 A 10 10 VAL HA H 10 4.307 4.497 -0.190 1 1 18 . 5 1 1 A 10 10 VAL CB C 10 34.845 34.155 0.690 1 1 24 . 5 1 1 A 11 11 ARG N N 11 125.757 125.861 -0.104 1 1 25 . 5 1 1 A 11 11 ARG H H 11 8.546 8.422 0.124 1 1 26 . 5 1 1 A 11 11 ARG CA C 11 55.966 56.169 -0.203 1 1 27 . 5 1 1 A 11 11 ARG HA H 11 4.463 4.163 0.300 1 1 28 . 5 1 1 A 11 11 ARG CB C 11 30.834 30.555 0.279 1 1 37 . 5 1 1 A 12 12 VAL CA C 12 62.370 60.821 1.549 1 1 38 . 5 1 1 A 12 12 VAL HA H 12 4.205 4.575 -0.370 1 1 39 . 5 1 1 A 12 12 VAL CB C 12 32.571 35.654 -3.083 1 1 48 . 5 1 1 A 13 13 GLY N N 13 113.294 115.082 -1.788 1 1 49 . 5 1 1 A 13 13 GLY H H 13 8.608 9.012 -0.404 1 1 50 . 5 1 1 A 13 13 GLY CA C 13 44.973 44.496 0.477 1 1 51 . 5 1 1 A 13 13 GLY HA3 H 13 4.024 4.227 -0.203 1 1 52 . 5 1 1 A 13 13 GLY HA2 H 13 3.891 4.226 -0.335 1 1 53 . 5 1 1 A 14 14 GLU N N 14 120.644 124.542 -3.898 1 1 54 . 5 1 1 A 14 14 GLU H H 14 8.139 8.661 -0.522 1 1 55 . 5 1 1 A 14 14 GLU CA C 14 54.101 53.340 0.761 1 1 56 . 5 1 1 A 14 14 GLU HA H 14 4.626 4.798 -0.172 1 1 57 . 5 1 1 A 14 14 GLU CB C 14 30.026 30.831 -0.805 1 1 63 . 5 1 1 A 15 15 PRO CA C 15 63.731 64.323 -0.592 1 1 64 . 5 1 1 A 15 15 PRO HA H 15 4.319 4.462 -0.143 1 1 65 . 5 1 1 A 15 15 PRO CB C 15 31.974 32.180 -0.206 1 1 71 . 5 1 1 A 15 15 PRO C C 15 177.450 176.663 0.787 1 1 75 . 5 1 1 A 16 16 GLY N N 16 109.768 106.363 3.405 1 1 76 . 5 1 1 A 16 16 GLY H H 16 8.577 7.319 1.258 1 1 77 . 5 1 1 A 16 16 GLY CA C 16 45.424 45.401 0.023 1 1 78 . 5 1 1 A 16 16 GLY HA3 H 16 3.804 4.034 -0.230 1 1 79 . 5 1 1 A 16 16 GLY C C 16 174.160 172.129 2.031 1 1 80 . 5 1 1 A 16 16 GLY HA2 H 16 4.086 4.033 0.053 1 1 81 . 5 1 1 A 17 17 GLN N N 17 119.726 120.047 -0.321 1 1 82 . 5 1 1 A 17 17 GLN H H 17 7.868 8.278 -0.410 1 1 83 . 5 1 1 A 17 17 GLN CA C 17 55.403 54.144 1.259 1 1 84 . 5 1 1 A 17 17 GLN HA H 17 4.389 5.054 -0.665 1 1 85 . 5 1 1 A 17 17 GLN CB C 17 29.894 31.326 -1.432 1 1 92 . 5 1 1 A 17 17 GLN C C 17 175.290 174.970 0.320 1 1 95 . 5 1 1 A 18 18 ALA N N 18 125.593 121.558 4.035 1 1 96 . 5 1 1 A 18 18 ALA H H 18 8.469 8.479 -0.010 1 1 97 . 5 1 1 A 18 18 ALA CA C 18 52.389 50.774 1.615 1 1 98 . 5 1 1 A 18 18 ALA HA H 18 4.448 4.913 -0.465 1 1 99 . 5 1 1 A 18 18 ALA CB C 18 19.959 22.371 -2.412 1 1 103 . 5 1 1 A 18 18 ALA C C 18 177.464 177.284 0.180 1 1 104 . 5 1 1 A 19 19 GLY N N 19 109.162 108.410 0.752 1 1 105 . 5 1 1 A 19 19 GLY H H 19 8.294 8.571 -0.277 1 1 106 . 5 1 1 A 19 19 GLY CA C 19 45.270 45.735 -0.465 1 1 107 . 5 1 1 A 19 19 GLY HA3 H 19 3.853 4.164 -0.311 1 1 108 . 5 1 1 A 19 19 GLY C C 19 173.012 173.904 -0.892 1 1 109 . 5 1 1 A 19 19 GLY HA2 H 19 4.207 4.120 0.087 1 1 110 . 5 1 1 A 20 20 ASN N N 20 118.861 122.526 -3.665 1 1 111 . 5 1 1 A 20 20 ASN H H 20 8.479 8.377 0.102 1 1 112 . 5 1 1 A 20 20 ASN CA C 20 50.128 49.474 0.654 1 1 113 . 5 1 1 A 20 20 ASN HA H 20 5.236 5.236 0.000 1 1 114 . 5 1 1 A 20 20 ASN CB C 20 39.697 40.166 -0.469 1 1 119 . 5 1 1 A 20 20 ASN C C 20 174.482 175.116 -0.634 1 1 121 . 5 1 1 A 21 21 PRO CA C 21 64.588 65.873 -1.285 1 1 122 . 5 1 1 A 21 21 PRO HA H 21 4.312 4.537 -0.225 1 1 123 . 5 1 1 A 21 21 PRO CB C 21 31.950 31.787 0.163 1 1 129 . 5 1 1 A 21 21 PRO C C 21 177.141 178.651 -1.510 1 1 133 . 5 1 1 A 22 22 ALA N N 22 118.898 118.479 0.419 1 1 134 . 5 1 1 A 22 22 ALA H H 22 7.918 8.307 -0.389 1 1 135 . 5 1 1 A 22 22 ALA CA C 22 53.499 55.456 -1.957 1 1 136 . 5 1 1 A 22 22 ALA HA H 22 4.386 4.056 0.330 1 1 137 . 5 1 1 A 22 22 ALA CB C 22 18.288 18.758 -0.470 1 1 141 . 5 1 1 A 22 22 ALA C C 22 178.115 180.149 -2.034 1 1 142 . 5 1 1 A 23 23 LEU N N 23 116.219 117.314 -1.095 1 1 143 . 5 1 1 A 23 23 LEU H H 23 7.696 8.176 -0.480 1 1 144 . 5 1 1 A 23 23 LEU CA C 23 53.851 58.148 -4.297 1 1 145 . 5 1 1 A 23 23 LEU HA H 23 4.475 3.933 0.542 1 1 146 . 5 1 1 A 23 23 LEU CB C 23 41.958 41.804 0.154 1 1 158 . 5 1 1 A 23 23 LEU C C 23 176.653 178.042 -1.389 1 1 160 . 5 1 1 A 24 24 VAL N N 24 122.233 119.562 2.671 1 1 161 . 5 1 1 A 24 24 VAL H H 24 7.207 7.854 -0.647 1 1 162 . 5 1 1 A 24 24 VAL CA C 24 62.768 63.661 -0.893 1 1 163 . 5 1 1 A 24 24 VAL HA H 24 4.081 4.148 -0.067 1 1 164 . 5 1 1 A 24 24 VAL CB C 24 32.408 31.939 0.469 1 1 174 . 5 1 1 A 24 24 VAL C C 24 174.702 176.062 -1.360 1 1 175 . 5 1 1 A 25 25 SER N N 25 120.181 119.522 0.659 1 1 176 . 5 1 1 A 25 25 SER H H 25 8.109 8.371 -0.262 1 1 177 . 5 1 1 A 25 25 SER CA C 25 56.489 57.859 -1.370 1 1 178 . 5 1 1 A 25 25 SER HA H 25 5.159 5.239 -0.080 1 1 179 . 5 1 1 A 25 25 SER CB C 25 66.443 67.102 -0.659 1 1 181 . 5 1 1 A 25 25 SER C C 25 172.102 172.408 -0.306 1 1 183 . 5 1 1 A 26 26 ALA N N 26 124.850 123.580 1.270 1 1 184 . 5 1 1 A 26 26 ALA H H 26 8.839 8.744 0.095 1 1 185 . 5 1 1 A 26 26 ALA CA C 26 50.395 51.305 -0.910 1 1 186 . 5 1 1 A 26 26 ALA HA H 26 5.796 5.046 0.750 1 1 187 . 5 1 1 A 26 26 ALA CB C 26 22.868 22.400 0.468 1 1 191 . 5 1 1 A 26 26 ALA C C 26 175.694 175.150 0.544 1 1 192 . 5 1 1 A 27 27 TYR N N 27 117.541 117.529 0.012 1 1 193 . 5 1 1 A 27 27 TYR H H 27 8.831 8.158 0.673 1 1 194 . 5 1 1 A 27 27 TYR CA C 27 56.610 55.961 0.649 1 1 195 . 5 1 1 A 27 27 TYR HA H 27 4.851 5.190 -0.339 1 1 196 . 5 1 1 A 27 27 TYR CB C 27 39.737 41.385 -1.648 1 1 206 . 5 1 1 A 27 27 TYR C C 27 173.299 173.855 -0.556 1 1 208 . 5 1 1 A 28 28 GLY N N 28 108.355 106.608 1.747 1 1 209 . 5 1 1 A 28 28 GLY H H 28 8.788 8.491 0.297 1 1 210 . 5 1 1 A 28 28 GLY CA C 28 44.056 45.714 -1.658 1 1 211 . 5 1 1 A 28 28 GLY HA3 H 28 4.304 4.424 -0.120 1 1 212 . 5 1 1 A 28 28 GLY C C 28 176.208 173.887 2.321 1 1 213 . 5 1 1 A 28 28 GLY HA2 H 28 5.047 4.391 0.656 1 1 214 . 5 1 1 A 29 29 THR N N 29 115.659 116.602 -0.943 1 1 215 . 5 1 1 A 29 29 THR H H 29 9.027 8.141 0.886 1 1 216 . 5 1 1 A 29 29 THR CA C 29 65.419 62.992 2.427 1 1 217 . 5 1 1 A 29 29 THR HA H 29 4.171 4.470 -0.299 1 1 218 . 5 1 1 A 29 29 THR CB C 29 68.659 70.029 -1.370 1 1 224 . 5 1 1 A 29 29 THR C C 29 178.141 175.685 2.456 1 1 225 . 5 1 1 A 30 30 GLY N N 30 107.400 108.771 -1.371 1 1 226 . 5 1 1 A 30 30 GLY H H 30 8.747 8.351 0.396 1 1 227 . 5 1 1 A 30 30 GLY CA C 30 46.719 45.806 0.913 1 1 228 . 5 1 1 A 30 30 GLY HA3 H 30 3.556 3.997 -0.441 1 1 229 . 5 1 1 A 30 30 GLY C C 30 173.896 174.732 -0.836 1 1 230 . 5 1 1 A 30 30 GLY HA2 H 30 4.483 3.840 0.643 1 1 231 . 5 1 1 A 31 31 LEU N N 31 118.075 120.348 -2.273 1 1 232 . 5 1 1 A 31 31 LEU H H 31 7.389 7.734 -0.345 1 1 233 . 5 1 1 A 31 31 LEU CA C 31 55.799 55.554 0.245 1 1 234 . 5 1 1 A 31 31 LEU HA H 31 3.778 4.303 -0.525 1 1 235 . 5 1 1 A 31 31 LEU CB C 31 41.564 42.013 -0.449 1 1 247 . 5 1 1 A 31 31 LEU C C 31 176.045 179.033 -2.988 1 1 249 . 5 1 1 A 32 32 GLU N N 32 112.872 115.823 -2.951 1 1 250 . 5 1 1 A 32 32 GLU H H 32 7.509 8.215 -0.706 1 1 251 . 5 1 1 A 32 32 GLU CA C 32 56.330 55.964 0.366 1 1 252 . 5 1 1 A 32 32 GLU HA H 32 4.717 4.168 0.549 1 1 253 . 5 1 1 A 32 32 GLU CB C 32 31.924 29.087 2.837 1 1 257 . 5 1 1 A 32 32 GLU C C 32 177.958 175.944 2.014 1 1 260 . 5 1 1 A 33 33 GLY N N 33 107.880 107.611 0.269 1 1 261 . 5 1 1 A 33 33 GLY H H 33 7.822 7.344 0.478 1 1 262 . 5 1 1 A 33 33 GLY CA C 33 45.568 45.154 0.414 1 1 263 . 5 1 1 A 33 33 GLY HA3 H 33 4.125 4.097 0.028 1 1 264 . 5 1 1 A 33 33 GLY C C 33 172.046 172.045 0.001 1 1 265 . 5 1 1 A 33 33 GLY HA2 H 33 4.661 4.084 0.577 1 1 266 . 5 1 1 A 34 34 GLY N N 34 105.841 108.196 -2.355 1 1 267 . 5 1 1 A 34 34 GLY H H 34 7.740 8.584 -0.844 1 1 268 . 5 1 1 A 34 34 GLY CA C 34 45.215 45.151 0.064 1 1 269 . 5 1 1 A 34 34 GLY HA3 H 34 3.988 4.178 -0.190 1 1 270 . 5 1 1 A 34 34 GLY C C 34 171.280 172.816 -1.536 1 1 271 . 5 1 1 A 34 34 GLY HA2 H 34 4.030 4.165 -0.135 1 1 272 . 5 1 1 A 35 35 THR N N 35 119.173 116.733 2.440 1 1 273 . 5 1 1 A 35 35 THR H H 35 9.363 8.724 0.639 1 1 274 . 5 1 1 A 35 35 THR CA C 35 60.844 60.733 0.111 1 1 275 . 5 1 1 A 35 35 THR HA H 35 5.177 4.944 0.233 1 1 276 . 5 1 1 A 35 35 THR CB C 35 72.095 69.745 2.350 1 1 282 . 5 1 1 A 35 35 THR C C 35 173.460 173.573 -0.113 1 1 283 . 5 1 1 A 36 36 THR N N 36 116.864 121.928 -5.064 1 1 284 . 5 1 1 A 36 36 THR H H 36 8.425 8.602 -0.177 1 1 285 . 5 1 1 A 36 36 THR CA C 36 62.841 64.654 -1.813 1 1 286 . 5 1 1 A 36 36 THR HA H 36 3.701 4.083 -0.382 1 1 287 . 5 1 1 A 36 36 THR CB C 36 68.447 68.099 0.348 1 1 293 . 5 1 1 A 36 36 THR C C 36 175.396 175.727 -0.331 1 1 294 . 5 1 1 A 37 37 GLY N N 37 107.461 114.436 -6.975 1 1 295 . 5 1 1 A 37 37 GLY H H 37 8.548 8.774 -0.226 1 1 296 . 5 1 1 A 37 37 GLY CA C 37 45.434 44.990 0.444 1 1 297 . 5 1 1 A 37 37 GLY HA3 H 37 3.386 3.996 -0.610 1 1 298 . 5 1 1 A 37 37 GLY C C 37 172.598 173.509 -0.911 1 1 299 . 5 1 1 A 37 37 GLY HA2 H 37 4.024 3.994 0.030 1 1 300 . 5 1 1 A 38 38 ILE N N 38 122.313 122.375 -0.062 1 1 301 . 5 1 1 A 38 38 ILE H H 38 7.871 7.952 -0.081 1 1 302 . 5 1 1 A 38 38 ILE CA C 38 58.566 59.613 -1.047 1 1 303 . 5 1 1 A 38 38 ILE HA H 38 4.274 4.456 -0.182 1 1 304 . 5 1 1 A 38 38 ILE CB C 38 38.476 39.954 -1.478 1 1 316 . 5 1 1 A 38 38 ILE C C 38 175.081 174.399 0.682 1 1 318 . 5 1 1 A 39 39 GLN N N 39 127.942 126.605 1.337 1 1 319 . 5 1 1 A 39 39 GLN H H 39 8.487 8.556 -0.069 1 1 320 . 5 1 1 A 39 39 GLN CA C 39 57.394 54.667 2.727 1 1 321 . 5 1 1 A 39 39 GLN HA H 39 4.312 4.992 -0.680 1 1 322 . 5 1 1 A 39 39 GLN CB C 39 31.057 29.889 1.168 1 1 329 . 5 1 1 A 39 39 GLN C C 39 176.011 174.989 1.022 1 1 332 . 5 1 1 A 40 40 SER N N 40 125.784 124.130 1.654 1 1 333 . 5 1 1 A 40 40 SER H H 40 9.167 8.656 0.511 1 1 334 . 5 1 1 A 40 40 SER CA C 40 58.188 57.477 0.711 1 1 335 . 5 1 1 A 40 40 SER HA H 40 4.633 5.110 -0.477 1 1 336 . 5 1 1 A 40 40 SER CB C 40 66.149 65.080 1.069 1 1 338 . 5 1 1 A 40 40 SER C C 40 172.625 173.056 -0.431 1 1 340 . 5 1 1 A 41 41 GLU N N 41 117.679 119.443 -1.764 1 1 341 . 5 1 1 A 41 41 GLU H H 41 8.773 9.207 -0.434 1 1 342 . 5 1 1 A 41 41 GLU CA C 41 54.060 54.522 -0.462 1 1 343 . 5 1 1 A 41 41 GLU HA H 41 5.629 4.947 0.682 1 1 344 . 5 1 1 A 41 41 GLU CB C 41 34.053 33.289 0.764 1 1 348 . 5 1 1 A 41 41 GLU C C 41 175.607 175.066 0.541 1 1 351 . 5 1 1 A 42 42 PHE N N 42 116.557 117.682 -1.125 1 1 352 . 5 1 1 A 42 42 PHE H H 42 8.753 7.700 1.053 1 1 353 . 5 1 1 A 42 42 PHE CA C 42 56.847 55.219 1.628 1 1 354 . 5 1 1 A 42 42 PHE HA H 42 4.743 5.701 -0.958 1 1 355 . 5 1 1 A 42 42 PHE CB C 42 40.908 42.555 -1.647 1 1 367 . 5 1 1 A 42 42 PHE C C 42 170.204 173.366 -3.162 1 1 369 . 5 1 1 A 43 43 PHE N N 43 118.643 120.528 -1.885 1 1 370 . 5 1 1 A 43 43 PHE H H 43 9.234 8.838 0.396 1 1 371 . 5 1 1 A 43 43 PHE CA C 43 57.292 57.440 -0.148 1 1 372 . 5 1 1 A 43 43 PHE HA H 43 5.041 4.930 0.111 1 1 373 . 5 1 1 A 43 43 PHE CB C 43 42.583 40.440 2.143 1 1 385 . 5 1 1 A 43 43 PHE C C 43 174.177 175.040 -0.863 1 1 387 . 5 1 1 A 44 44 ILE N N 44 120.124 122.950 -2.826 1 1 388 . 5 1 1 A 44 44 ILE H H 44 8.876 9.104 -0.228 1 1 389 . 5 1 1 A 44 44 ILE CA C 44 59.698 60.126 -0.428 1 1 390 . 5 1 1 A 44 44 ILE HA H 44 4.717 4.409 0.308 1 1 391 . 5 1 1 A 44 44 ILE CB C 44 40.591 39.153 1.438 1 1 403 . 5 1 1 A 44 44 ILE C C 44 174.483 174.680 -0.197 1 1 405 . 5 1 1 A 45 45 ASN N N 45 127.058 125.602 1.456 1 1 406 . 5 1 1 A 45 45 ASN H H 45 9.553 8.772 0.781 1 1 407 . 5 1 1 A 45 45 ASN CA C 45 52.099 52.168 -0.069 1 1 408 . 5 1 1 A 45 45 ASN HA H 45 5.380 4.778 0.602 1 1 409 . 5 1 1 A 45 45 ASN CB C 45 39.596 37.376 2.220 1 1 414 . 5 1 1 A 45 45 ASN C C 45 176.821 175.426 1.395 1 1 416 . 5 1 1 A 46 46 THR H H 46 9.223 8.636 0.587 1 1 417 . 5 1 1 A 46 46 THR CA C 46 61.534 61.023 0.511 1 1 418 . 5 1 1 A 46 46 THR HA H 46 4.368 4.582 -0.214 1 1 419 . 5 1 1 A 46 46 THR CB C 46 68.352 69.383 -1.031 1 1 425 . 5 1 1 A 46 46 THR C C 46 176.816 175.002 1.814 1 1 426 . 5 1 1 A 47 47 THR N N 47 116.732 113.969 2.763 1 1 427 . 5 1 1 A 47 47 THR H H 47 8.368 8.159 0.209 1 1 428 . 5 1 1 A 47 47 THR CA C 47 65.916 63.967 1.949 1 1 429 . 5 1 1 A 47 47 THR HA H 47 4.032 4.251 -0.219 1 1 430 . 5 1 1 A 47 47 THR CB C 47 69.870 69.007 0.863 1 1 436 . 5 1 1 A 47 47 THR C C 47 176.865 175.750 1.115 1 1 437 . 5 1 1 A 48 48 ARG N N 48 119.205 120.830 -1.625 1 1 438 . 5 1 1 A 48 48 ARG H H 48 8.785 7.836 0.949 1 1 439 . 5 1 1 A 48 48 ARG CA C 48 56.273 57.243 -0.970 1 1 440 . 5 1 1 A 48 48 ARG HA H 48 4.488 4.388 0.100 1 1 441 . 5 1 1 A 48 48 ARG CB C 48 30.862 30.861 0.001 1 1 447 . 5 1 1 A 48 48 ARG C C 48 176.314 178.351 -2.037 1 1 451 . 5 1 1 A 49 49 ALA N N 49 120.807 120.526 0.281 1 1 452 . 5 1 1 A 49 49 ALA H H 49 7.440 7.880 -0.440 1 1 453 . 5 1 1 A 49 49 ALA CA C 49 53.138 53.636 -0.498 1 1 454 . 5 1 1 A 49 49 ALA HA H 49 4.341 4.189 0.152 1 1 455 . 5 1 1 A 49 49 ALA CB C 49 22.427 19.851 2.576 1 1 459 . 5 1 1 A 49 49 ALA C C 49 177.914 177.974 -0.060 1 1 460 . 5 1 1 A 50 50 GLY N N 50 105.941 102.840 3.101 1 1 461 . 5 1 1 A 50 50 GLY H H 50 7.924 7.019 0.905 1 1 462 . 5 1 1 A 50 50 GLY CA C 50 44.229 44.269 -0.040 1 1 463 . 5 1 1 A 50 50 GLY HA3 H 50 4.325 4.130 0.195 1 1 464 . 5 1 1 A 50 50 GLY C C 50 171.089 172.480 -1.391 1 1 465 . 5 1 1 A 50 50 GLY HA2 H 50 3.948 4.082 -0.134 1 1 466 . 5 1 1 A 51 51 PRO CA C 51 63.140 63.184 -0.044 1 1 467 . 5 1 1 A 51 51 PRO HA H 51 4.588 4.451 0.137 1 1 468 . 5 1 1 A 51 51 PRO CB C 51 33.004 32.996 0.008 1 1 477 . 5 1 1 A 52 52 GLY CA C 52 45.195 45.125 0.070 1 1 478 . 5 1 1 A 52 52 GLY HA3 H 52 3.275 4.452 -1.177 1 1 479 . 5 1 1 A 52 52 GLY HA2 H 52 3.852 4.282 -0.430 1 1 480 . 5 1 1 A 53 53 THR N N 53 114.003 112.097 1.906 1 1 481 . 5 1 1 A 53 53 THR H H 53 8.049 8.670 -0.621 1 1 482 . 5 1 1 A 53 53 THR CA C 53 62.352 61.933 0.419 1 1 483 . 5 1 1 A 53 53 THR HA H 53 4.436 4.427 0.009 1 1 484 . 5 1 1 A 53 53 THR CB C 53 69.631 68.805 0.826 1 1 490 . 5 1 1 A 54 54 LEU CA C 54 53.891 53.885 0.006 1 1 491 . 5 1 1 A 54 54 LEU HA H 54 5.077 5.001 0.076 1 1 492 . 5 1 1 A 54 54 LEU CB C 54 44.515 44.331 0.184 1 1 503 . 5 1 1 A 55 55 SER N N 55 120.726 122.696 -1.970 1 1 504 . 5 1 1 A 55 55 SER H H 55 8.783 8.798 -0.015 1 1 505 . 5 1 1 A 55 55 SER CA C 55 56.249 56.920 -0.671 1 1 506 . 5 1 1 A 55 55 SER HA H 55 5.092 5.052 0.040 1 1 507 . 5 1 1 A 55 55 SER CB C 55 65.032 64.077 0.955 1 1 509 . 5 1 1 A 55 55 SER C C 55 173.165 173.227 -0.062 1 1 511 . 5 1 1 A 56 56 VAL N N 56 126.234 126.765 -0.531 1 1 512 . 5 1 1 A 56 56 VAL H H 56 8.336 8.713 -0.377 1 1 513 . 5 1 1 A 56 56 VAL CA C 56 60.515 60.347 0.168 1 1 514 . 5 1 1 A 56 56 VAL HA H 56 5.134 4.992 0.142 1 1 515 . 5 1 1 A 56 56 VAL CB C 56 34.463 34.860 -0.397 1 1 520 . 5 1 1 A 56 56 VAL C C 56 174.718 174.296 0.422 1 1 521 . 5 1 1 A 57 57 THR N N 57 120.539 124.784 -4.245 1 1 522 . 5 1 1 A 57 57 THR H H 57 8.828 8.904 -0.076 1 1 523 . 5 1 1 A 57 57 THR CA C 57 60.580 61.904 -1.324 1 1 524 . 5 1 1 A 57 57 THR HA H 57 5.132 5.087 0.045 1 1 525 . 5 1 1 A 57 57 THR CB C 57 72.187 70.874 1.313 1 1 531 . 5 1 1 A 57 57 THR C C 57 172.970 173.151 -0.181 1 1 532 . 5 1 1 A 58 58 ILE N N 58 123.949 128.590 -4.641 1 1 533 . 5 1 1 A 58 58 ILE H H 58 9.249 9.028 0.221 1 1 534 . 5 1 1 A 58 58 ILE CA C 58 61.297 59.776 1.521 1 1 535 . 5 1 1 A 58 58 ILE HA H 58 5.001 5.053 -0.052 1 1 536 . 5 1 1 A 58 58 ILE CB C 58 39.755 40.063 -0.308 1 1 548 . 5 1 1 A 58 58 ILE C C 58 174.848 174.614 0.234 1 1 550 . 5 1 1 A 59 59 GLU N N 59 129.027 126.733 2.294 1 1 551 . 5 1 1 A 59 59 GLU H H 59 8.966 9.219 -0.253 1 1 552 . 5 1 1 A 59 59 GLU CA C 59 53.911 54.752 -0.841 1 1 553 . 5 1 1 A 59 59 GLU HA H 59 5.427 5.339 0.088 1 1 554 . 5 1 1 A 59 59 GLU CB C 59 33.843 33.491 0.352 1 1 558 . 5 1 1 A 59 59 GLU C C 59 175.342 175.196 0.146 1 1 561 . 5 1 1 A 60 60 GLY N N 60 110.765 110.401 0.364 1 1 562 . 5 1 1 A 60 60 GLY H H 60 8.597 8.235 0.362 1 1 563 . 5 1 1 A 60 60 GLY CA C 60 45.997 44.656 1.341 1 1 564 . 5 1 1 A 60 60 GLY HA3 H 60 3.908 3.840 0.068 1 1 565 . 5 1 1 A 60 60 GLY C C 60 171.205 173.972 -2.767 1 1 566 . 5 1 1 A 60 60 GLY HA2 H 60 3.685 3.284 0.401 1 1 567 . 5 1 1 A 61 61 PRO CA C 61 64.057 64.300 -0.243 1 1 568 . 5 1 1 A 61 61 PRO HA H 61 4.415 4.324 0.091 1 1 569 . 5 1 1 A 61 61 PRO CB C 61 32.143 32.130 0.013 1 1 575 . 5 1 1 A 61 61 PRO C C 61 175.925 176.427 -0.502 1 1 579 . 5 1 1 A 62 62 SER N N 62 108.413 114.038 -5.625 1 1 580 . 5 1 1 A 62 62 SER H H 62 7.144 7.786 -0.642 1 1 581 . 5 1 1 A 62 62 SER CA C 62 57.037 57.967 -0.930 1 1 582 . 5 1 1 A 62 62 SER HA H 62 4.596 4.882 -0.286 1 1 583 . 5 1 1 A 62 62 SER CB C 62 66.522 64.909 1.613 1 1 585 . 5 1 1 A 62 62 SER C C 62 172.446 174.081 -1.635 1 1 587 . 5 1 1 A 63 63 LYS N N 63 122.539 125.778 -3.239 1 1 588 . 5 1 1 A 63 63 LYS H H 63 8.620 8.444 0.176 1 1 589 . 5 1 1 A 63 63 LYS CA C 63 56.407 56.479 -0.072 1 1 590 . 5 1 1 A 63 63 LYS HA H 63 4.267 4.189 0.078 1 1 591 . 5 1 1 A 63 63 LYS CB C 63 32.576 32.906 -0.330 1 1 596 . 5 1 1 A 63 63 LYS C C 63 176.658 176.513 0.145 1 1 601 . 5 1 1 A 64 64 VAL N N 64 120.278 114.407 5.871 1 1 602 . 5 1 1 A 64 64 VAL H H 64 8.554 8.798 -0.244 1 1 603 . 5 1 1 A 64 64 VAL CA C 64 60.425 59.087 1.338 1 1 604 . 5 1 1 A 64 64 VAL HA H 64 4.460 4.864 -0.404 1 1 605 . 5 1 1 A 64 64 VAL CB C 64 32.938 36.047 -3.109 1 1 615 . 5 1 1 A 64 64 VAL C C 64 176.629 174.387 2.242 1 1 616 . 5 1 1 A 65 65 LYS N N 65 121.529 122.734 -1.205 1 1 617 . 5 1 1 A 65 65 LYS H H 65 8.139 8.360 -0.221 1 1 618 . 5 1 1 A 65 65 LYS CA C 65 56.181 55.958 0.223 1 1 619 . 5 1 1 A 65 65 LYS HA H 65 4.474 4.768 -0.294 1 1 620 . 5 1 1 A 65 65 LYS CB C 65 32.960 33.233 -0.273 1 1 627 . 5 1 1 A 65 65 LYS C C 65 176.309 175.704 0.605 1 1 632 . 5 1 1 A 66 66 MET N N 66 125.382 123.331 2.051 1 1 633 . 5 1 1 A 66 66 MET H H 66 8.811 8.831 -0.020 1 1 634 . 5 1 1 A 66 66 MET CA C 66 55.055 54.038 1.017 1 1 635 . 5 1 1 A 66 66 MET HA H 66 5.393 5.529 -0.136 1 1 636 . 5 1 1 A 66 66 MET CB C 66 37.398 34.213 3.185 1 1 644 . 5 1 1 A 66 66 MET C C 66 174.026 175.749 -1.723 1 1 647 . 5 1 1 A 67 67 ASP N N 67 122.714 123.336 -0.622 1 1 648 . 5 1 1 A 67 67 ASP H H 67 8.995 8.588 0.407 1 1 649 . 5 1 1 A 67 67 ASP CA C 67 53.231 57.039 -3.808 1 1 650 . 5 1 1 A 67 67 ASP HA H 67 4.854 4.264 0.590 1 1 651 . 5 1 1 A 67 67 ASP CB C 67 44.980 40.709 4.271 1 1 654 . 5 1 1 A 68 68 CYS H H 68 8.412 7.906 0.506 1 1 655 . 5 1 1 A 68 68 CYS CA C 68 56.390 60.549 -4.159 1 1 656 . 5 1 1 A 68 68 CYS HA H 68 5.288 4.234 1.054 1 1 657 . 5 1 1 A 68 68 CYS CB C 68 28.188 26.016 2.172 1 1 660 . 5 1 1 A 69 69 GLN N N 69 125.044 119.223 5.821 1 1 661 . 5 1 1 A 69 69 GLN H H 69 9.116 7.786 1.330 1 1 662 . 5 1 1 A 69 69 GLN CA C 69 56.403 55.761 0.642 1 1 663 . 5 1 1 A 69 69 GLN HA H 69 5.290 4.286 1.004 1 1 664 . 5 1 1 A 69 69 GLN CB C 69 32.962 29.678 3.284 1 1 671 . 5 1 1 A 70 70 GLU N N 70 125.781 127.041 -1.260 1 1 672 . 5 1 1 A 70 70 GLU H H 70 8.979 8.714 0.265 1 1 673 . 5 1 1 A 70 70 GLU CA C 70 56.418 57.023 -0.605 1 1 674 . 5 1 1 A 70 70 GLU HA H 70 4.029 4.558 -0.529 1 1 675 . 5 1 1 A 70 70 GLU CB C 70 30.585 30.651 -0.066 1 1 681 . 5 1 1 A 71 71 THR N N 71 118.158 116.372 1.786 1 1 682 . 5 1 1 A 71 71 THR H H 71 8.455 7.924 0.531 1 1 683 . 5 1 1 A 71 71 THR CA C 71 59.209 58.381 0.828 1 1 684 . 5 1 1 A 71 71 THR HA H 71 4.902 4.992 -0.090 1 1 685 . 5 1 1 A 71 71 THR CB C 71 68.926 70.132 -1.206 1 1 691 . 5 1 1 A 72 72 PRO CA C 72 65.290 64.618 0.672 1 1 692 . 5 1 1 A 72 72 PRO HA H 72 4.296 4.418 -0.122 1 1 693 . 5 1 1 A 72 72 PRO CB C 72 31.848 31.839 0.009 1 1 699 . 5 1 1 A 72 72 PRO C C 72 177.476 177.748 -0.272 1 1 703 . 5 1 1 A 73 73 GLU N N 73 112.293 118.012 -5.719 1 1 704 . 5 1 1 A 73 73 GLU H H 73 7.562 8.399 -0.837 1 1 705 . 5 1 1 A 73 73 GLU CA C 73 55.577 58.044 -2.467 1 1 706 . 5 1 1 A 73 73 GLU HA H 73 4.370 4.226 0.144 1 1 707 . 5 1 1 A 73 73 GLU CB C 73 30.787 30.872 -0.085 1 1 711 . 5 1 1 A 73 73 GLU C C 73 174.438 176.185 -1.747 1 1 714 . 5 1 1 A 74 74 GLY N N 74 109.223 107.314 1.909 1 1 715 . 5 1 1 A 74 74 GLY H H 74 7.324 7.055 0.269 1 1 716 . 5 1 1 A 74 74 GLY CA C 74 47.146 46.017 1.129 1 1 717 . 5 1 1 A 74 74 GLY HA3 H 74 3.551 4.006 -0.455 1 1 718 . 5 1 1 A 74 74 GLY C C 74 172.589 170.949 1.640 1 1 719 . 5 1 1 A 74 74 GLY HA2 H 74 4.949 3.793 1.156 1 1 720 . 5 1 1 A 75 75 TYR N N 75 123.117 120.338 2.779 1 1 721 . 5 1 1 A 75 75 TYR H H 75 8.883 8.493 0.390 1 1 722 . 5 1 1 A 75 75 TYR CA C 75 57.566 56.483 1.083 1 1 723 . 5 1 1 A 75 75 TYR HA H 75 5.171 5.298 -0.127 1 1 724 . 5 1 1 A 75 75 TYR CB C 75 44.111 41.344 2.767 1 1 734 . 5 1 1 A 75 75 TYR C C 75 173.925 174.241 -0.316 1 1 736 . 5 1 1 A 76 76 LYS N N 76 124.633 125.688 -1.055 1 1 737 . 5 1 1 A 76 76 LYS H H 76 9.390 8.513 0.877 1 1 738 . 5 1 1 A 76 76 LYS CA C 76 55.055 55.723 -0.668 1 1 739 . 5 1 1 A 76 76 LYS HA H 76 4.594 4.553 0.041 1 1 740 . 5 1 1 A 76 76 LYS CB C 76 35.124 33.502 1.622 1 1 748 . 5 1 1 A 76 76 LYS C C 76 174.069 175.024 -0.955 1 1 753 . 5 1 1 A 77 77 VAL N N 77 126.947 126.057 0.890 1 1 754 . 5 1 1 A 77 77 VAL H H 77 8.607 8.424 0.183 1 1 755 . 5 1 1 A 77 77 VAL CA C 77 60.894 60.506 0.388 1 1 756 . 5 1 1 A 77 77 VAL HA H 77 4.280 4.721 -0.441 1 1 757 . 5 1 1 A 77 77 VAL CB C 77 32.115 33.757 -1.642 1 1 767 . 5 1 1 A 77 77 VAL C C 77 173.586 174.691 -1.105 1 1 768 . 5 1 1 A 78 78 MET N N 78 123.986 124.694 -0.708 1 1 769 . 5 1 1 A 78 78 MET H H 78 8.410 8.815 -0.405 1 1 770 . 5 1 1 A 78 78 MET CA C 78 53.236 53.877 -0.641 1 1 771 . 5 1 1 A 78 78 MET HA H 78 5.290 5.209 0.081 1 1 772 . 5 1 1 A 78 78 MET CB C 78 36.873 36.341 0.532 1 1 780 . 5 1 1 A 78 78 MET C C 78 174.665 174.512 0.153 1 1 783 . 5 1 1 A 79 79 TYR N N 79 117.488 119.239 -1.751 1 1 784 . 5 1 1 A 79 79 TYR H H 79 8.739 8.247 0.492 1 1 785 . 5 1 1 A 79 79 TYR CA C 79 56.011 56.477 -0.466 1 1 786 . 5 1 1 A 79 79 TYR HA H 79 5.654 5.243 0.411 1 1 787 . 5 1 1 A 79 79 TYR CB C 79 41.549 41.164 0.385 1 1 797 . 5 1 1 A 79 79 TYR C C 79 172.927 172.936 -0.009 1 1 799 . 5 1 1 A 80 80 THR H H 80 8.383 8.869 -0.486 1 1 800 . 5 1 1 A 80 80 THR CA C 80 58.611 58.959 -0.348 1 1 801 . 5 1 1 A 80 80 THR HA H 80 4.978 4.609 0.369 1 1 802 . 5 1 1 A 80 80 THR CB C 80 70.258 70.828 -0.570 1 1 808 . 5 1 1 A 81 81 PRO CA C 81 61.531 63.015 -1.484 1 1 809 . 5 1 1 A 81 81 PRO HA H 81 4.532 4.742 -0.210 1 1 810 . 5 1 1 A 81 81 PRO CB C 81 32.774 32.125 0.649 1 1 819 . 5 1 1 A 82 82 MET N N 82 117.590 121.890 -4.300 1 1 820 . 5 1 1 A 82 82 MET H H 82 8.299 8.859 -0.560 1 1 821 . 5 1 1 A 82 82 MET CA C 82 53.882 56.931 -3.049 1 1 822 . 5 1 1 A 82 82 MET HA H 82 4.851 4.539 0.312 1 1 823 . 5 1 1 A 82 82 MET CB C 82 33.337 33.909 -0.572 1 1 831 . 5 1 1 A 82 82 MET C C 82 174.339 176.139 -1.800 1 1 834 . 5 1 1 A 83 83 ALA N N 83 119.196 119.887 -0.691 1 1 835 . 5 1 1 A 83 83 ALA H H 83 7.076 7.913 -0.837 1 1 836 . 5 1 1 A 83 83 ALA CA C 83 49.425 49.694 -0.269 1 1 837 . 5 1 1 A 83 83 ALA HA H 83 4.791 4.752 0.039 1 1 838 . 5 1 1 A 83 83 ALA CB C 83 20.682 21.471 -0.789 1 1 842 . 5 1 1 A 83 83 ALA C C 83 174.364 174.503 -0.139 1 1 843 . 5 1 1 A 84 84 PRO CA C 84 62.540 63.337 -0.797 1 1 844 . 5 1 1 A 84 84 PRO HA H 84 4.244 4.639 -0.395 1 1 845 . 5 1 1 A 84 84 PRO CB C 84 32.615 32.823 -0.208 1 1 851 . 5 1 1 A 84 84 PRO C C 84 174.214 175.887 -1.673 1 1 855 . 5 1 1 A 85 85 GLY N N 85 105.436 108.055 -2.619 1 1 856 . 5 1 1 A 85 85 GLY H H 85 8.855 8.213 0.642 1 1 857 . 5 1 1 A 85 85 GLY CA C 85 44.156 45.460 -1.304 1 1 858 . 5 1 1 A 85 85 GLY HA3 H 85 3.761 4.294 -0.533 1 1 859 . 5 1 1 A 85 85 GLY C C 85 171.801 172.314 -0.513 1 1 860 . 5 1 1 A 85 85 GLY HA2 H 85 4.515 4.262 0.253 1 1 861 . 5 1 1 A 86 86 ASN N N 86 119.042 117.139 1.903 1 1 862 . 5 1 1 A 86 86 ASN H H 86 8.573 8.720 -0.147 1 1 863 . 5 1 1 A 86 86 ASN CA C 86 52.499 51.761 0.738 1 1 864 . 5 1 1 A 86 86 ASN HA H 86 5.517 5.800 -0.283 1 1 865 . 5 1 1 A 86 86 ASN CB C 86 39.390 40.457 -1.067 1 1 870 . 5 1 1 A 86 86 ASN C C 86 174.453 174.014 0.439 1 1 872 . 5 1 1 A 87 87 TYR N N 87 122.992 121.951 1.041 1 1 873 . 5 1 1 A 87 87 TYR H H 87 9.369 8.810 0.559 1 1 874 . 5 1 1 A 87 87 TYR CA C 87 56.366 56.241 0.125 1 1 875 . 5 1 1 A 87 87 TYR HA H 87 5.140 5.606 -0.466 1 1 876 . 5 1 1 A 87 87 TYR CB C 87 40.267 41.521 -1.254 1 1 886 . 5 1 1 A 87 87 TYR C C 87 174.332 174.285 0.047 1 1 888 . 5 1 1 A 88 88 LEU N N 88 124.720 123.360 1.360 1 1 889 . 5 1 1 A 88 88 LEU H H 88 9.306 9.066 0.240 1 1 890 . 5 1 1 A 88 88 LEU CA C 88 53.426 53.564 -0.138 1 1 891 . 5 1 1 A 88 88 LEU HA H 88 5.253 5.144 0.109 1 1 892 . 5 1 1 A 88 88 LEU CB C 88 44.487 45.329 -0.842 1 1 904 . 5 1 1 A 88 88 LEU C C 88 177.074 174.467 2.607 1 1 906 . 5 1 1 A 89 89 ILE N N 89 130.469 129.459 1.010 1 1 907 . 5 1 1 A 89 89 ILE H H 89 9.807 9.110 0.697 1 1 908 . 5 1 1 A 89 89 ILE CA C 89 60.792 60.039 0.753 1 1 909 . 5 1 1 A 89 89 ILE HA H 89 4.851 4.958 -0.107 1 1 910 . 5 1 1 A 89 89 ILE CB C 89 39.662 38.753 0.909 1 1 922 . 5 1 1 A 89 89 ILE C C 89 175.605 174.857 0.748 1 1 924 . 5 1 1 A 90 90 SER N N 90 123.845 125.373 -1.528 1 1 925 . 5 1 1 A 90 90 SER H H 90 9.540 9.075 0.465 1 1 926 . 5 1 1 A 90 90 SER CA C 90 58.036 57.808 0.228 1 1 927 . 5 1 1 A 90 90 SER HA H 90 5.199 5.092 0.107 1 1 928 . 5 1 1 A 90 90 SER CB C 90 64.133 64.310 -0.177 1 1 930 . 5 1 1 A 90 90 SER C C 90 173.566 173.686 -0.120 1 1 932 . 5 1 1 A 91 91 VAL N N 91 128.427 126.339 2.088 1 1 933 . 5 1 1 A 91 91 VAL H H 91 9.918 8.996 0.922 1 1 934 . 5 1 1 A 91 91 VAL CA C 91 61.447 61.739 -0.292 1 1 935 . 5 1 1 A 91 91 VAL HA H 91 4.837 4.952 -0.115 1 1 936 . 5 1 1 A 91 91 VAL CB C 91 33.761 33.909 -0.148 1 1 946 . 5 1 1 A 91 91 VAL C C 91 173.296 175.025 -1.729 1 1 947 . 5 1 1 A 92 92 LYS N N 92 125.779 123.625 2.154 1 1 948 . 5 1 1 A 92 92 LYS H H 92 8.892 8.637 0.255 1 1 949 . 5 1 1 A 92 92 LYS CA C 92 54.468 54.567 -0.099 1 1 950 . 5 1 1 A 92 92 LYS HA H 92 5.065 5.275 -0.210 1 1 951 . 5 1 1 A 92 92 LYS CB C 92 36.106 36.300 -0.194 1 1 959 . 5 1 1 A 92 92 LYS C C 92 175.189 174.273 0.916 1 1 964 . 5 1 1 A 93 93 TYR N N 93 120.251 122.491 -2.240 1 1 965 . 5 1 1 A 93 93 TYR H H 93 8.061 9.106 -1.045 1 1 966 . 5 1 1 A 93 93 TYR CA C 93 56.884 56.978 -0.094 1 1 967 . 5 1 1 A 93 93 TYR HA H 93 5.522 5.088 0.434 1 1 968 . 5 1 1 A 93 93 TYR CB C 93 44.120 41.903 2.217 1 1 978 . 5 1 1 A 93 93 TYR C C 93 175.517 175.742 -0.225 1 1 980 . 5 1 1 A 94 94 GLY N N 94 114.148 113.486 0.662 1 1 981 . 5 1 1 A 94 94 GLY H H 94 8.274 8.355 -0.081 1 1 982 . 5 1 1 A 94 94 GLY CA C 94 45.959 46.175 -0.216 1 1 983 . 5 1 1 A 94 94 GLY HA3 H 94 3.705 3.449 0.256 1 1 984 . 5 1 1 A 94 94 GLY C C 94 173.595 173.754 -0.159 1 1 985 . 5 1 1 A 94 94 GLY HA2 H 94 3.877 3.364 0.513 1 1 986 . 5 1 1 A 95 95 GLY N N 95 107.010 107.245 -0.235 1 1 987 . 5 1 1 A 95 95 GLY H H 95 7.452 8.367 -0.915 1 1 988 . 5 1 1 A 95 95 GLY CA C 95 43.954 44.229 -0.275 1 1 989 . 5 1 1 A 95 95 GLY HA3 H 95 3.618 3.963 -0.345 1 1 990 . 5 1 1 A 95 95 GLY C C 95 172.825 174.061 -1.236 1 1 991 . 5 1 1 A 95 95 GLY HA2 H 95 4.507 3.942 0.565 1 1 992 . 5 1 1 A 96 96 PRO CA C 96 63.221 64.251 -1.030 1 1 993 . 5 1 1 A 96 96 PRO HA H 96 4.413 4.405 0.008 1 1 994 . 5 1 1 A 96 96 PRO CB C 96 30.955 31.930 -0.975 1 1 1000 . 5 1 1 A 96 96 PRO C C 96 175.901 176.163 -0.262 1 1 1004 . 5 1 1 A 97 97 ASN N N 97 119.942 117.042 2.900 1 1 1005 . 5 1 1 A 97 97 ASN H H 97 8.172 7.977 0.195 1 1 1006 . 5 1 1 A 97 97 ASN CA C 97 52.914 53.000 -0.086 1 1 1007 . 5 1 1 A 97 97 ASN HA H 97 4.864 4.397 0.467 1 1 1008 . 5 1 1 A 97 97 ASN CB C 97 39.806 38.667 1.139 1 1 1013 . 5 1 1 A 97 97 ASN C C 97 174.285 175.292 -1.007 1 1 1015 . 5 1 1 A 98 98 HIS N N 98 121.803 122.796 -0.993 1 1 1016 . 5 1 1 A 98 98 HIS H H 98 8.456 7.882 0.574 1 1 1017 . 5 1 1 A 98 98 HIS CA C 98 58.023 54.713 3.310 1 1 1018 . 5 1 1 A 98 98 HIS HA H 98 4.475 4.846 -0.371 1 1 1019 . 5 1 1 A 98 98 HIS CB C 98 33.382 31.427 1.955 1 1 1025 . 5 1 1 A 98 98 HIS C C 98 177.938 175.346 2.592 1 1 1027 . 5 1 1 A 99 99 ILE N N 99 115.599 116.578 -0.979 1 1 1028 . 5 1 1 A 99 99 ILE H H 99 8.237 8.039 0.198 1 1 1029 . 5 1 1 A 99 99 ILE CA C 99 60.895 60.012 0.883 1 1 1030 . 5 1 1 A 99 99 ILE HA H 99 4.545 4.257 0.288 1 1 1031 . 5 1 1 A 99 99 ILE CB C 99 38.675 39.870 -1.195 1 1 1043 . 5 1 1 A 99 99 ILE C C 99 176.165 176.017 0.148 1 1 1045 . 5 1 1 A 100 100 VAL H H 100 8.389 8.443 -0.054 1 1 1046 . 5 1 1 A 100 100 VAL CA C 100 65.835 63.520 2.315 1 1 1047 . 5 1 1 A 100 100 VAL HA H 100 3.673 3.837 -0.164 1 1 1048 . 5 1 1 A 100 100 VAL CB C 100 31.169 31.979 -0.810 1 1 1058 . 5 1 1 A 101 101 GLY N N 101 116.014 117.733 -1.719 1 1 1059 . 5 1 1 A 101 101 GLY H H 101 8.297 8.879 -0.582 1 1 1060 . 5 1 1 A 101 101 GLY CA C 101 44.626 45.218 -0.592 1 1 1061 . 5 1 1 A 101 101 GLY HA3 H 101 3.227 4.073 -0.846 1 1 1062 . 5 1 1 A 101 101 GLY C C 101 171.863 173.692 -1.829 1 1 1063 . 5 1 1 A 101 101 GLY HA2 H 101 4.207 3.990 0.217 1 1 1064 . 5 1 1 A 102 102 SER N N 102 111.977 117.227 -5.250 1 1 1065 . 5 1 1 A 102 102 SER H H 102 7.304 7.603 -0.299 1 1 1066 . 5 1 1 A 102 102 SER CA C 102 54.570 56.208 -1.638 1 1 1067 . 5 1 1 A 102 102 SER HA H 102 3.915 3.790 0.125 1 1 1068 . 5 1 1 A 102 102 SER CB C 102 62.569 62.977 -0.408 1 1 1071 . 5 1 1 A 103 103 PRO CA C 103 62.215 62.169 0.046 1 1 1072 . 5 1 1 A 103 103 PRO HA H 103 5.475 4.273 1.202 1 1 1073 . 5 1 1 A 103 103 PRO CB C 103 33.552 32.015 1.537 1 1 1079 . 5 1 1 A 103 103 PRO C C 103 175.646 175.982 -0.336 1 1 1083 . 5 1 1 A 104 104 PHE N N 104 123.291 120.980 2.311 1 1 1084 . 5 1 1 A 104 104 PHE H H 104 9.465 8.409 1.056 1 1 1085 . 5 1 1 A 104 104 PHE CA C 104 57.015 57.506 -0.491 1 1 1086 . 5 1 1 A 104 104 PHE HA H 104 4.531 4.778 -0.247 1 1 1087 . 5 1 1 A 104 104 PHE CB C 104 40.607 40.113 0.494 1 1 1099 . 5 1 1 A 104 104 PHE C C 104 175.305 175.550 -0.245 1 1 1101 . 5 1 1 A 105 105 LYS N N 105 123.989 123.048 0.941 1 1 1102 . 5 1 1 A 105 105 LYS H H 105 8.712 8.893 -0.181 1 1 1103 . 5 1 1 A 105 105 LYS CA C 105 55.868 55.380 0.488 1 1 1104 . 5 1 1 A 105 105 LYS HA H 105 4.913 4.810 0.103 1 1 1105 . 5 1 1 A 105 105 LYS CB C 105 32.762 33.481 -0.719 1 1 1113 . 5 1 1 A 105 105 LYS C C 105 174.065 175.487 -1.422 1 1 1118 . 5 1 1 A 106 106 ALA N N 106 129.654 128.325 1.329 1 1 1119 . 5 1 1 A 106 106 ALA H H 106 8.964 8.701 0.263 1 1 1120 . 5 1 1 A 106 106 ALA CA C 106 50.325 50.170 0.155 1 1 1121 . 5 1 1 A 106 106 ALA HA H 106 4.497 5.321 -0.824 1 1 1122 . 5 1 1 A 106 106 ALA CB C 106 20.496 22.714 -2.218 1 1 1126 . 5 1 1 A 106 106 ALA C C 106 176.111 175.376 0.735 1 1 1127 . 5 1 1 A 107 107 LYS N N 107 124.155 121.846 2.309 1 1 1128 . 5 1 1 A 107 107 LYS H H 107 7.955 8.763 -0.808 1 1 1129 . 5 1 1 A 107 107 LYS CA C 107 55.904 54.784 1.120 1 1 1130 . 5 1 1 A 107 107 LYS HA H 107 4.950 5.142 -0.192 1 1 1131 . 5 1 1 A 107 107 LYS CB C 107 33.755 35.717 -1.962 1 1 1139 . 5 1 1 A 107 107 LYS C C 107 175.350 174.755 0.595 1 1 1144 . 5 1 1 A 108 108 VAL N N 108 128.726 128.187 0.539 1 1 1145 . 5 1 1 A 108 108 VAL H H 108 9.373 9.452 -0.079 1 1 1146 . 5 1 1 A 108 108 VAL CA C 108 60.804 61.330 -0.526 1 1 1147 . 5 1 1 A 108 108 VAL HA H 108 4.851 5.019 -0.168 1 1 1148 . 5 1 1 A 108 108 VAL CB C 108 33.175 32.837 0.338 1 1 1158 . 5 1 1 A 108 108 VAL C C 108 177.017 175.201 1.816 1 1 1159 . 5 1 1 A 109 109 THR N N 109 121.067 117.266 3.801 1 1 1160 . 5 1 1 A 109 109 THR H H 109 8.527 8.665 -0.138 1 1 1161 . 5 1 1 A 109 109 THR CA C 109 60.138 59.904 0.234 1 1 1162 . 5 1 1 A 109 109 THR HA H 109 4.864 4.896 -0.032 1 1 1163 . 5 1 1 A 109 109 THR CB C 109 70.960 71.699 -0.739 1 1 1169 . 5 1 1 A 109 109 THR C C 109 173.130 173.298 -0.168 1 1 1170 . 5 1 1 A 110 110 GLY N N 110 106.893 108.020 -1.127 1 1 1171 . 5 1 1 A 110 110 GLY H H 110 8.404 8.585 -0.181 1 1 1172 . 5 1 1 A 110 110 GLY CA C 110 43.888 44.211 -0.323 1 1 1173 . 5 1 1 A 110 110 GLY HA3 H 110 3.851 4.216 -0.365 1 1 1174 . 5 1 1 A 110 110 GLY C C 110 173.870 173.515 0.355 1 1 1175 . 5 1 1 A 110 110 GLY HA2 H 110 4.773 4.214 0.559 1 1 1176 . 5 1 1 A 111 111 GLN N N 111 116.999 119.996 -2.997 1 1 1177 . 5 1 1 A 111 111 GLN H H 111 8.234 8.378 -0.144 1 1 1178 . 5 1 1 A 111 111 GLN CA C 111 55.230 56.205 -0.975 1 1 1179 . 5 1 1 A 111 111 GLN HA H 111 4.269 4.288 -0.019 1 1 1180 . 5 1 1 A 111 111 GLN CB C 111 30.118 29.030 1.088 1 1 1187 . 5 1 1 A 111 111 GLN C C 111 176.550 175.282 1.268 1 1 1190 . 5 1 1 A 112 112 ARG N N 112 122.131 124.371 -2.240 1 1 1191 . 5 1 1 A 112 112 ARG H H 112 8.832 8.414 0.418 1 1 1192 . 5 1 1 A 112 112 ARG CA C 112 57.384 56.317 1.067 1 1 1193 . 5 1 1 A 112 112 ARG HA H 112 4.300 4.445 -0.145 1 1 1194 . 5 1 1 A 112 112 ARG CB C 112 30.059 31.010 -0.951 1 1 1200 . 5 1 1 A 112 112 ARG C C 112 175.836 175.164 0.672 1 1 1204 . 5 1 1 A 113 113 LEU N N 113 126.764 125.993 0.771 1 1 1205 . 5 1 1 A 113 113 LEU H H 113 8.424 8.464 -0.040 1 1 1206 . 5 1 1 A 113 113 LEU CA C 113 54.919 53.739 1.180 1 1 1207 . 5 1 1 A 113 113 LEU HA H 113 4.517 4.820 -0.303 1 1 1208 . 5 1 1 A 113 113 LEU CB C 113 42.706 43.251 -0.545 1 1 1220 . 5 1 1 A 113 113 LEU C C 113 176.521 175.337 1.184 1 1 1222 . 5 1 1 A 116 116 PRO CA C 116 63.729 64.506 -0.777 1 1 1223 . 5 1 1 A 116 116 PRO HA H 116 4.436 4.458 -0.022 1 1 1224 . 5 1 1 A 116 116 PRO CB C 116 32.182 32.054 0.128 1 1 1233 . 5 1 1 A 117 117 GLY N N 117 110.092 106.336 3.756 1 1 1234 . 5 1 1 A 117 117 GLY H H 117 8.493 7.354 1.139 1 1 1235 . 5 1 1 A 118 118 SER CA C 118 58.420 57.707 0.713 1 1 1236 . 5 1 1 A 118 118 SER HA H 118 4.454 5.331 -0.877 1 1 1237 . 5 1 1 A 118 118 SER CB C 118 64.014 66.687 -2.673 1 1 1239 . 5 1 1 A 118 118 SER C C 118 174.495 172.548 1.947 1 1 1241 . 5 1 1 A 119 119 ALA N N 119 125.244 124.710 0.534 1 1 1242 . 5 1 1 A 119 119 ALA H H 119 8.365 8.786 -0.421 1 1 1243 . 5 1 1 A 119 119 ALA CA C 119 52.697 50.295 2.402 1 1 1244 . 5 1 1 A 119 119 ALA HA H 119 4.333 5.139 -0.806 1 1 1245 . 5 1 1 A 119 119 ALA CB C 119 19.378 20.930 -1.552 1 1 1249 . 5 1 1 A 119 119 ALA C C 119 177.362 175.544 1.818 1 1 1250 . 5 1 1 A 120 120 ASN N N 120 117.122 124.044 -6.922 1 1 1251 . 5 1 1 A 120 120 ASN H H 120 8.311 8.992 -0.681 1 1 1252 . 5 1 1 A 120 120 ASN CA C 120 53.198 52.469 0.729 1 1 1253 . 5 1 1 A 120 120 ASN HA H 120 4.659 5.077 -0.418 1 1 1254 . 5 1 1 A 120 120 ASN CB C 120 38.852 40.090 -1.238 1 1 1259 . 5 1 1 A 120 120 ASN C C 120 175.112 175.170 -0.058 1 1 1261 . 5 1 1 A 122 122 THR CA C 122 61.947 62.171 -0.224 1 1 1262 . 5 1 1 A 122 122 THR HA H 122 4.197 4.404 -0.207 1 1 1263 . 5 1 1 A 122 122 THR CB C 122 69.949 69.433 0.516 1 1 1 . 6 1 1 A 9 9 LYS N N 9 120.806 121.307 -0.501 1 1 2 . 6 1 1 A 9 9 LYS H H 9 8.548 8.569 -0.021 1 1 3 . 6 1 1 A 9 9 LYS CA C 9 56.358 56.568 -0.210 1 1 4 . 6 1 1 A 9 9 LYS HA H 9 4.261 4.216 0.045 1 1 5 . 6 1 1 A 9 9 LYS CB C 9 32.673 32.923 -0.250 1 1 17 . 6 1 1 A 10 10 VAL HA H 10 4.307 4.690 -0.383 1 1 18 . 6 1 1 A 10 10 VAL CB C 10 34.845 35.736 -0.891 1 1 24 . 6 1 1 A 11 11 ARG N N 11 125.757 123.889 1.868 1 1 25 . 6 1 1 A 11 11 ARG H H 11 8.546 8.634 -0.088 1 1 26 . 6 1 1 A 11 11 ARG CA C 11 55.966 55.225 0.741 1 1 27 . 6 1 1 A 11 11 ARG HA H 11 4.463 4.944 -0.481 1 1 28 . 6 1 1 A 11 11 ARG CB C 11 30.834 31.780 -0.946 1 1 37 . 6 1 1 A 12 12 VAL CA C 12 62.370 60.763 1.607 1 1 38 . 6 1 1 A 12 12 VAL HA H 12 4.205 4.695 -0.490 1 1 39 . 6 1 1 A 12 12 VAL CB C 12 32.571 35.734 -3.163 1 1 48 . 6 1 1 A 13 13 GLY N N 13 113.294 114.650 -1.356 1 1 49 . 6 1 1 A 13 13 GLY H H 13 8.608 8.908 -0.300 1 1 50 . 6 1 1 A 13 13 GLY CA C 13 44.973 43.988 0.985 1 1 51 . 6 1 1 A 13 13 GLY HA3 H 13 4.024 4.278 -0.254 1 1 52 . 6 1 1 A 13 13 GLY HA2 H 13 3.891 4.278 -0.387 1 1 53 . 6 1 1 A 14 14 GLU N N 14 120.644 120.345 0.299 1 1 54 . 6 1 1 A 14 14 GLU H H 14 8.139 8.673 -0.534 1 1 55 . 6 1 1 A 14 14 GLU CA C 14 54.101 53.303 0.798 1 1 56 . 6 1 1 A 14 14 GLU HA H 14 4.626 4.808 -0.182 1 1 57 . 6 1 1 A 14 14 GLU CB C 14 30.026 30.696 -0.670 1 1 63 . 6 1 1 A 15 15 PRO CA C 15 63.731 62.512 1.219 1 1 64 . 6 1 1 A 15 15 PRO HA H 15 4.319 4.520 -0.201 1 1 65 . 6 1 1 A 15 15 PRO CB C 15 31.974 32.268 -0.294 1 1 71 . 6 1 1 A 15 15 PRO C C 15 177.450 177.522 -0.072 1 1 75 . 6 1 1 A 16 16 GLY N N 16 109.768 108.034 1.734 1 1 76 . 6 1 1 A 16 16 GLY H H 16 8.577 8.589 -0.012 1 1 77 . 6 1 1 A 16 16 GLY CA C 16 45.424 47.007 -1.583 1 1 78 . 6 1 1 A 16 16 GLY HA3 H 16 3.804 3.825 -0.021 1 1 79 . 6 1 1 A 16 16 GLY C C 16 174.160 174.888 -0.728 1 1 80 . 6 1 1 A 16 16 GLY HA2 H 16 4.086 3.824 0.262 1 1 81 . 6 1 1 A 17 17 GLN N N 17 119.726 118.554 1.172 1 1 82 . 6 1 1 A 17 17 GLN H H 17 7.868 7.881 -0.013 1 1 83 . 6 1 1 A 17 17 GLN CA C 17 55.403 56.269 -0.866 1 1 84 . 6 1 1 A 17 17 GLN HA H 17 4.389 4.240 0.149 1 1 85 . 6 1 1 A 17 17 GLN CB C 17 29.894 29.135 0.759 1 1 92 . 6 1 1 A 17 17 GLN C C 17 175.290 176.079 -0.789 1 1 95 . 6 1 1 A 18 18 ALA N N 18 125.593 125.291 0.302 1 1 96 . 6 1 1 A 18 18 ALA H H 18 8.469 8.475 -0.006 1 1 97 . 6 1 1 A 18 18 ALA CA C 18 52.389 51.799 0.590 1 1 98 . 6 1 1 A 18 18 ALA HA H 18 4.448 4.686 -0.238 1 1 99 . 6 1 1 A 18 18 ALA CB C 18 19.959 20.659 -0.700 1 1 103 . 6 1 1 A 18 18 ALA C C 18 177.464 177.815 -0.351 1 1 104 . 6 1 1 A 19 19 GLY N N 19 109.162 107.768 1.394 1 1 105 . 6 1 1 A 19 19 GLY H H 19 8.294 8.743 -0.449 1 1 106 . 6 1 1 A 19 19 GLY CA C 19 45.270 46.365 -1.095 1 1 107 . 6 1 1 A 19 19 GLY HA3 H 19 3.853 4.299 -0.446 1 1 108 . 6 1 1 A 19 19 GLY C C 19 173.012 174.485 -1.473 1 1 109 . 6 1 1 A 19 19 GLY HA2 H 19 4.207 4.204 0.003 1 1 110 . 6 1 1 A 20 20 ASN N N 20 118.861 119.909 -1.048 1 1 111 . 6 1 1 A 20 20 ASN H H 20 8.479 8.200 0.279 1 1 112 . 6 1 1 A 20 20 ASN CA C 20 50.128 49.784 0.344 1 1 113 . 6 1 1 A 20 20 ASN HA H 20 5.236 5.223 0.013 1 1 114 . 6 1 1 A 20 20 ASN CB C 20 39.697 39.666 0.031 1 1 119 . 6 1 1 A 20 20 ASN C C 20 174.482 174.823 -0.341 1 1 121 . 6 1 1 A 21 21 PRO CA C 21 64.588 64.681 -0.093 1 1 122 . 6 1 1 A 21 21 PRO HA H 21 4.312 4.458 -0.146 1 1 123 . 6 1 1 A 21 21 PRO CB C 21 31.950 32.078 -0.128 1 1 129 . 6 1 1 A 21 21 PRO C C 21 177.141 178.086 -0.945 1 1 133 . 6 1 1 A 22 22 ALA N N 22 118.898 119.140 -0.242 1 1 134 . 6 1 1 A 22 22 ALA H H 22 7.918 8.155 -0.237 1 1 135 . 6 1 1 A 22 22 ALA CA C 22 53.499 55.280 -1.781 1 1 136 . 6 1 1 A 22 22 ALA HA H 22 4.386 4.069 0.317 1 1 137 . 6 1 1 A 22 22 ALA CB C 22 18.288 18.190 0.098 1 1 141 . 6 1 1 A 22 22 ALA C C 22 178.115 180.328 -2.213 1 1 142 . 6 1 1 A 23 23 LEU N N 23 116.219 117.528 -1.309 1 1 143 . 6 1 1 A 23 23 LEU H H 23 7.696 8.119 -0.423 1 1 144 . 6 1 1 A 23 23 LEU CA C 23 53.851 57.985 -4.134 1 1 145 . 6 1 1 A 23 23 LEU HA H 23 4.475 3.996 0.479 1 1 146 . 6 1 1 A 23 23 LEU CB C 23 41.958 41.582 0.376 1 1 158 . 6 1 1 A 23 23 LEU C C 23 176.653 177.781 -1.128 1 1 160 . 6 1 1 A 24 24 VAL N N 24 122.233 119.636 2.597 1 1 161 . 6 1 1 A 24 24 VAL H H 24 7.207 7.222 -0.015 1 1 162 . 6 1 1 A 24 24 VAL CA C 24 62.768 63.353 -0.585 1 1 163 . 6 1 1 A 24 24 VAL HA H 24 4.081 4.251 -0.170 1 1 164 . 6 1 1 A 24 24 VAL CB C 24 32.408 31.547 0.861 1 1 174 . 6 1 1 A 24 24 VAL C C 24 174.702 175.501 -0.799 1 1 175 . 6 1 1 A 25 25 SER N N 25 120.181 122.597 -2.416 1 1 176 . 6 1 1 A 25 25 SER H H 25 8.109 8.887 -0.778 1 1 177 . 6 1 1 A 25 25 SER CA C 25 56.489 56.447 0.042 1 1 178 . 6 1 1 A 25 25 SER HA H 25 5.159 5.408 -0.249 1 1 179 . 6 1 1 A 25 25 SER CB C 25 66.443 67.090 -0.647 1 1 181 . 6 1 1 A 25 25 SER C C 25 172.102 172.947 -0.845 1 1 183 . 6 1 1 A 26 26 ALA N N 26 124.850 124.494 0.356 1 1 184 . 6 1 1 A 26 26 ALA H H 26 8.839 8.908 -0.069 1 1 185 . 6 1 1 A 26 26 ALA CA C 26 50.395 51.239 -0.844 1 1 186 . 6 1 1 A 26 26 ALA HA H 26 5.796 5.415 0.381 1 1 187 . 6 1 1 A 26 26 ALA CB C 26 22.868 22.882 -0.014 1 1 191 . 6 1 1 A 26 26 ALA C C 26 175.694 175.391 0.303 1 1 192 . 6 1 1 A 27 27 TYR N N 27 117.541 117.530 0.011 1 1 193 . 6 1 1 A 27 27 TYR H H 27 8.831 8.506 0.325 1 1 194 . 6 1 1 A 27 27 TYR CA C 27 56.610 55.844 0.766 1 1 195 . 6 1 1 A 27 27 TYR HA H 27 4.851 5.274 -0.423 1 1 196 . 6 1 1 A 27 27 TYR CB C 27 39.737 41.637 -1.900 1 1 206 . 6 1 1 A 27 27 TYR C C 27 173.299 173.897 -0.598 1 1 208 . 6 1 1 A 28 28 GLY N N 28 108.355 105.861 2.494 1 1 209 . 6 1 1 A 28 28 GLY H H 28 8.788 8.523 0.265 1 1 210 . 6 1 1 A 28 28 GLY CA C 28 44.056 45.968 -1.912 1 1 211 . 6 1 1 A 28 28 GLY HA3 H 28 4.304 4.244 0.060 1 1 212 . 6 1 1 A 28 28 GLY C C 28 176.208 173.828 2.380 1 1 213 . 6 1 1 A 28 28 GLY HA2 H 28 5.047 4.204 0.843 1 1 214 . 6 1 1 A 29 29 THR N N 29 115.659 112.717 2.942 1 1 215 . 6 1 1 A 29 29 THR H H 29 9.027 8.235 0.792 1 1 216 . 6 1 1 A 29 29 THR CA C 29 65.419 64.935 0.484 1 1 217 . 6 1 1 A 29 29 THR HA H 29 4.171 4.648 -0.477 1 1 218 . 6 1 1 A 29 29 THR CB C 29 68.659 69.441 -0.782 1 1 224 . 6 1 1 A 29 29 THR C C 29 178.141 176.402 1.739 1 1 225 . 6 1 1 A 30 30 GLY N N 30 107.400 108.728 -1.328 1 1 226 . 6 1 1 A 30 30 GLY H H 30 8.747 8.289 0.458 1 1 227 . 6 1 1 A 30 30 GLY CA C 30 46.719 46.200 0.519 1 1 228 . 6 1 1 A 30 30 GLY HA3 H 30 3.556 3.783 -0.227 1 1 229 . 6 1 1 A 30 30 GLY C C 30 173.896 175.148 -1.252 1 1 230 . 6 1 1 A 30 30 GLY HA2 H 30 4.483 3.758 0.725 1 1 231 . 6 1 1 A 31 31 LEU N N 31 118.075 121.927 -3.852 1 1 232 . 6 1 1 A 31 31 LEU H H 31 7.389 7.903 -0.514 1 1 233 . 6 1 1 A 31 31 LEU CA C 31 55.799 57.083 -1.284 1 1 234 . 6 1 1 A 31 31 LEU HA H 31 3.778 4.026 -0.248 1 1 235 . 6 1 1 A 31 31 LEU CB C 31 41.564 41.588 -0.024 1 1 247 . 6 1 1 A 31 31 LEU C C 31 176.045 179.249 -3.204 1 1 249 . 6 1 1 A 32 32 GLU N N 32 112.872 115.934 -3.062 1 1 250 . 6 1 1 A 32 32 GLU H H 32 7.509 8.382 -0.873 1 1 251 . 6 1 1 A 32 32 GLU CA C 32 56.330 57.579 -1.249 1 1 252 . 6 1 1 A 32 32 GLU HA H 32 4.717 4.185 0.532 1 1 253 . 6 1 1 A 32 32 GLU CB C 32 31.924 29.423 2.501 1 1 257 . 6 1 1 A 32 32 GLU C C 32 177.958 176.659 1.299 1 1 260 . 6 1 1 A 33 33 GLY N N 33 107.880 107.422 0.458 1 1 261 . 6 1 1 A 33 33 GLY H H 33 7.822 7.431 0.391 1 1 262 . 6 1 1 A 33 33 GLY CA C 33 45.568 45.400 0.168 1 1 263 . 6 1 1 A 33 33 GLY HA3 H 33 4.125 4.044 0.081 1 1 264 . 6 1 1 A 33 33 GLY C C 33 172.046 172.008 0.038 1 1 265 . 6 1 1 A 33 33 GLY HA2 H 33 4.661 4.034 0.627 1 1 266 . 6 1 1 A 34 34 GLY N N 34 105.841 107.673 -1.832 1 1 267 . 6 1 1 A 34 34 GLY H H 34 7.740 9.011 -1.271 1 1 268 . 6 1 1 A 34 34 GLY CA C 34 45.215 45.291 -0.076 1 1 269 . 6 1 1 A 34 34 GLY HA3 H 34 3.988 4.161 -0.173 1 1 270 . 6 1 1 A 34 34 GLY C C 34 171.280 172.605 -1.325 1 1 271 . 6 1 1 A 34 34 GLY HA2 H 34 4.030 4.154 -0.124 1 1 272 . 6 1 1 A 35 35 THR N N 35 119.173 121.669 -2.496 1 1 273 . 6 1 1 A 35 35 THR H H 35 9.363 9.113 0.250 1 1 274 . 6 1 1 A 35 35 THR CA C 35 60.844 61.535 -0.691 1 1 275 . 6 1 1 A 35 35 THR HA H 35 5.177 4.861 0.316 1 1 276 . 6 1 1 A 35 35 THR CB C 35 72.095 68.985 3.110 1 1 282 . 6 1 1 A 35 35 THR C C 35 173.460 174.065 -0.605 1 1 283 . 6 1 1 A 36 36 THR N N 36 116.864 123.445 -6.581 1 1 284 . 6 1 1 A 36 36 THR H H 36 8.425 8.550 -0.125 1 1 285 . 6 1 1 A 36 36 THR CA C 36 62.841 64.959 -2.118 1 1 286 . 6 1 1 A 36 36 THR HA H 36 3.701 3.924 -0.223 1 1 287 . 6 1 1 A 36 36 THR CB C 36 68.447 68.433 0.014 1 1 293 . 6 1 1 A 36 36 THR C C 36 175.396 175.732 -0.336 1 1 294 . 6 1 1 A 37 37 GLY N N 37 107.461 114.270 -6.809 1 1 295 . 6 1 1 A 37 37 GLY H H 37 8.548 8.874 -0.326 1 1 296 . 6 1 1 A 37 37 GLY CA C 37 45.434 45.012 0.422 1 1 297 . 6 1 1 A 37 37 GLY HA3 H 37 3.386 3.977 -0.591 1 1 298 . 6 1 1 A 37 37 GLY C C 37 172.598 173.764 -1.166 1 1 299 . 6 1 1 A 37 37 GLY HA2 H 37 4.024 3.975 0.049 1 1 300 . 6 1 1 A 38 38 ILE N N 38 122.313 121.974 0.339 1 1 301 . 6 1 1 A 38 38 ILE H H 38 7.871 7.515 0.356 1 1 302 . 6 1 1 A 38 38 ILE CA C 38 58.566 59.739 -1.173 1 1 303 . 6 1 1 A 38 38 ILE HA H 38 4.274 4.441 -0.167 1 1 304 . 6 1 1 A 38 38 ILE CB C 38 38.476 39.469 -0.993 1 1 316 . 6 1 1 A 38 38 ILE C C 38 175.081 174.677 0.404 1 1 318 . 6 1 1 A 39 39 GLN N N 39 127.942 126.160 1.782 1 1 319 . 6 1 1 A 39 39 GLN H H 39 8.487 8.492 -0.005 1 1 320 . 6 1 1 A 39 39 GLN CA C 39 57.394 54.971 2.423 1 1 321 . 6 1 1 A 39 39 GLN HA H 39 4.312 4.805 -0.493 1 1 322 . 6 1 1 A 39 39 GLN CB C 39 31.057 29.513 1.544 1 1 329 . 6 1 1 A 39 39 GLN C C 39 176.011 175.510 0.501 1 1 332 . 6 1 1 A 40 40 SER N N 40 125.784 119.141 6.643 1 1 333 . 6 1 1 A 40 40 SER H H 40 9.167 7.894 1.273 1 1 334 . 6 1 1 A 40 40 SER CA C 40 58.188 56.753 1.435 1 1 335 . 6 1 1 A 40 40 SER HA H 40 4.633 4.842 -0.209 1 1 336 . 6 1 1 A 40 40 SER CB C 40 66.149 64.753 1.396 1 1 338 . 6 1 1 A 40 40 SER C C 40 172.625 173.797 -1.172 1 1 340 . 6 1 1 A 41 41 GLU N N 41 117.679 118.451 -0.772 1 1 341 . 6 1 1 A 41 41 GLU H H 41 8.773 9.036 -0.263 1 1 342 . 6 1 1 A 41 41 GLU CA C 41 54.060 54.728 -0.668 1 1 343 . 6 1 1 A 41 41 GLU HA H 41 5.629 5.076 0.553 1 1 344 . 6 1 1 A 41 41 GLU CB C 41 34.053 33.380 0.673 1 1 348 . 6 1 1 A 41 41 GLU C C 41 175.607 174.701 0.906 1 1 351 . 6 1 1 A 42 42 PHE N N 42 116.557 117.352 -0.795 1 1 352 . 6 1 1 A 42 42 PHE H H 42 8.753 8.430 0.323 1 1 353 . 6 1 1 A 42 42 PHE CA C 42 56.847 55.357 1.490 1 1 354 . 6 1 1 A 42 42 PHE HA H 42 4.743 5.401 -0.658 1 1 355 . 6 1 1 A 42 42 PHE CB C 42 40.908 42.386 -1.478 1 1 367 . 6 1 1 A 42 42 PHE C C 42 170.204 172.709 -2.505 1 1 369 . 6 1 1 A 43 43 PHE N N 43 118.643 120.386 -1.743 1 1 370 . 6 1 1 A 43 43 PHE H H 43 9.234 8.461 0.773 1 1 371 . 6 1 1 A 43 43 PHE CA C 43 57.292 57.492 -0.200 1 1 372 . 6 1 1 A 43 43 PHE HA H 43 5.041 4.849 0.192 1 1 373 . 6 1 1 A 43 43 PHE CB C 43 42.583 40.359 2.224 1 1 385 . 6 1 1 A 43 43 PHE C C 43 174.177 175.472 -1.295 1 1 387 . 6 1 1 A 44 44 ILE N N 44 120.124 120.593 -0.469 1 1 388 . 6 1 1 A 44 44 ILE H H 44 8.876 8.499 0.377 1 1 389 . 6 1 1 A 44 44 ILE CA C 44 59.698 60.437 -0.739 1 1 390 . 6 1 1 A 44 44 ILE HA H 44 4.717 4.894 -0.177 1 1 391 . 6 1 1 A 44 44 ILE CB C 44 40.591 39.933 0.658 1 1 403 . 6 1 1 A 44 44 ILE C C 44 174.483 175.596 -1.113 1 1 405 . 6 1 1 A 45 45 ASN N N 45 127.058 127.427 -0.369 1 1 406 . 6 1 1 A 45 45 ASN H H 45 9.553 8.914 0.639 1 1 407 . 6 1 1 A 45 45 ASN CA C 45 52.099 53.341 -1.242 1 1 408 . 6 1 1 A 45 45 ASN HA H 45 5.380 4.914 0.466 1 1 409 . 6 1 1 A 45 45 ASN CB C 45 39.596 37.302 2.294 1 1 414 . 6 1 1 A 45 45 ASN C C 45 176.821 174.696 2.125 1 1 416 . 6 1 1 A 46 46 THR H H 46 9.223 8.500 0.723 1 1 417 . 6 1 1 A 46 46 THR CA C 46 61.534 60.949 0.585 1 1 418 . 6 1 1 A 46 46 THR HA H 46 4.368 4.629 -0.261 1 1 419 . 6 1 1 A 46 46 THR CB C 46 68.352 69.760 -1.408 1 1 425 . 6 1 1 A 46 46 THR C C 46 176.816 174.383 2.433 1 1 426 . 6 1 1 A 47 47 THR N N 47 116.732 116.378 0.354 1 1 427 . 6 1 1 A 47 47 THR H H 47 8.368 8.070 0.298 1 1 428 . 6 1 1 A 47 47 THR CA C 47 65.916 64.418 1.498 1 1 429 . 6 1 1 A 47 47 THR HA H 47 4.032 4.149 -0.117 1 1 430 . 6 1 1 A 47 47 THR CB C 47 69.870 69.091 0.779 1 1 436 . 6 1 1 A 47 47 THR C C 47 176.865 177.040 -0.175 1 1 437 . 6 1 1 A 48 48 ARG N N 48 119.205 121.428 -2.223 1 1 438 . 6 1 1 A 48 48 ARG H H 48 8.785 7.662 1.123 1 1 439 . 6 1 1 A 48 48 ARG CA C 48 56.273 59.396 -3.123 1 1 440 . 6 1 1 A 48 48 ARG HA H 48 4.488 4.008 0.480 1 1 441 . 6 1 1 A 48 48 ARG CB C 48 30.862 29.484 1.378 1 1 447 . 6 1 1 A 48 48 ARG C C 48 176.314 178.813 -2.499 1 1 451 . 6 1 1 A 49 49 ALA N N 49 120.807 120.973 -0.166 1 1 452 . 6 1 1 A 49 49 ALA H H 49 7.440 7.651 -0.211 1 1 453 . 6 1 1 A 49 49 ALA CA C 49 53.138 54.466 -1.328 1 1 454 . 6 1 1 A 49 49 ALA HA H 49 4.341 4.051 0.290 1 1 455 . 6 1 1 A 49 49 ALA CB C 49 22.427 19.034 3.393 1 1 459 . 6 1 1 A 49 49 ALA C C 49 177.914 177.559 0.355 1 1 460 . 6 1 1 A 50 50 GLY N N 50 105.941 101.711 4.230 1 1 461 . 6 1 1 A 50 50 GLY H H 50 7.924 6.762 1.162 1 1 462 . 6 1 1 A 50 50 GLY CA C 50 44.229 45.499 -1.270 1 1 463 . 6 1 1 A 50 50 GLY HA3 H 50 4.325 4.190 0.135 1 1 464 . 6 1 1 A 50 50 GLY C C 50 171.089 174.237 -3.148 1 1 465 . 6 1 1 A 50 50 GLY HA2 H 50 3.948 4.103 -0.155 1 1 466 . 6 1 1 A 51 51 PRO CA C 51 63.140 63.552 -0.412 1 1 467 . 6 1 1 A 51 51 PRO HA H 51 4.588 4.524 0.064 1 1 468 . 6 1 1 A 51 51 PRO CB C 51 33.004 31.686 1.318 1 1 477 . 6 1 1 A 52 52 GLY CA C 52 45.195 45.212 -0.017 1 1 478 . 6 1 1 A 52 52 GLY HA3 H 52 3.275 4.187 -0.912 1 1 479 . 6 1 1 A 52 52 GLY HA2 H 52 3.852 4.152 -0.300 1 1 480 . 6 1 1 A 53 53 THR N N 53 114.003 111.726 2.277 1 1 481 . 6 1 1 A 53 53 THR H H 53 8.049 8.478 -0.429 1 1 482 . 6 1 1 A 53 53 THR CA C 53 62.352 61.202 1.150 1 1 483 . 6 1 1 A 53 53 THR HA H 53 4.436 4.848 -0.412 1 1 484 . 6 1 1 A 53 53 THR CB C 53 69.631 69.983 -0.352 1 1 490 . 6 1 1 A 54 54 LEU CA C 54 53.891 53.522 0.369 1 1 491 . 6 1 1 A 54 54 LEU HA H 54 5.077 5.003 0.074 1 1 492 . 6 1 1 A 54 54 LEU CB C 54 44.515 43.981 0.534 1 1 503 . 6 1 1 A 55 55 SER N N 55 120.726 116.900 3.826 1 1 504 . 6 1 1 A 55 55 SER H H 55 8.783 8.981 -0.198 1 1 505 . 6 1 1 A 55 55 SER CA C 55 56.249 57.202 -0.953 1 1 506 . 6 1 1 A 55 55 SER HA H 55 5.092 5.375 -0.283 1 1 507 . 6 1 1 A 55 55 SER CB C 55 65.032 65.645 -0.613 1 1 509 . 6 1 1 A 55 55 SER C C 55 173.165 173.627 -0.462 1 1 511 . 6 1 1 A 56 56 VAL N N 56 126.234 119.382 6.852 1 1 512 . 6 1 1 A 56 56 VAL H H 56 8.336 8.842 -0.506 1 1 513 . 6 1 1 A 56 56 VAL CA C 56 60.515 59.613 0.902 1 1 514 . 6 1 1 A 56 56 VAL HA H 56 5.134 5.260 -0.126 1 1 515 . 6 1 1 A 56 56 VAL CB C 56 34.463 36.184 -1.721 1 1 520 . 6 1 1 A 56 56 VAL C C 56 174.718 174.928 -0.210 1 1 521 . 6 1 1 A 57 57 THR N N 57 120.539 118.308 2.231 1 1 522 . 6 1 1 A 57 57 THR H H 57 8.828 8.424 0.404 1 1 523 . 6 1 1 A 57 57 THR CA C 57 60.580 61.760 -1.180 1 1 524 . 6 1 1 A 57 57 THR HA H 57 5.132 4.958 0.174 1 1 525 . 6 1 1 A 57 57 THR CB C 57 72.187 71.450 0.737 1 1 531 . 6 1 1 A 57 57 THR C C 57 172.970 173.043 -0.073 1 1 532 . 6 1 1 A 58 58 ILE N N 58 123.949 128.662 -4.713 1 1 533 . 6 1 1 A 58 58 ILE H H 58 9.249 9.074 0.175 1 1 534 . 6 1 1 A 58 58 ILE CA C 58 61.297 59.907 1.390 1 1 535 . 6 1 1 A 58 58 ILE HA H 58 5.001 5.055 -0.054 1 1 536 . 6 1 1 A 58 58 ILE CB C 58 39.755 39.049 0.706 1 1 548 . 6 1 1 A 58 58 ILE C C 58 174.848 175.083 -0.235 1 1 550 . 6 1 1 A 59 59 GLU N N 59 129.027 125.007 4.020 1 1 551 . 6 1 1 A 59 59 GLU H H 59 8.966 8.947 0.019 1 1 552 . 6 1 1 A 59 59 GLU CA C 59 53.911 55.191 -1.280 1 1 553 . 6 1 1 A 59 59 GLU HA H 59 5.427 5.178 0.249 1 1 554 . 6 1 1 A 59 59 GLU CB C 59 33.843 33.673 0.170 1 1 558 . 6 1 1 A 59 59 GLU C C 59 175.342 175.032 0.310 1 1 561 . 6 1 1 A 60 60 GLY N N 60 110.765 110.238 0.527 1 1 562 . 6 1 1 A 60 60 GLY H H 60 8.597 8.240 0.357 1 1 563 . 6 1 1 A 60 60 GLY CA C 60 45.997 44.727 1.270 1 1 564 . 6 1 1 A 60 60 GLY HA3 H 60 3.908 3.861 0.047 1 1 565 . 6 1 1 A 60 60 GLY C C 60 171.205 174.038 -2.833 1 1 566 . 6 1 1 A 60 60 GLY HA2 H 60 3.685 3.516 0.169 1 1 567 . 6 1 1 A 61 61 PRO CA C 61 64.057 64.329 -0.272 1 1 568 . 6 1 1 A 61 61 PRO HA H 61 4.415 4.334 0.081 1 1 569 . 6 1 1 A 61 61 PRO CB C 61 32.143 31.987 0.156 1 1 575 . 6 1 1 A 61 61 PRO C C 61 175.925 176.346 -0.421 1 1 579 . 6 1 1 A 62 62 SER N N 62 108.413 114.356 -5.943 1 1 580 . 6 1 1 A 62 62 SER H H 62 7.144 7.966 -0.822 1 1 581 . 6 1 1 A 62 62 SER CA C 62 57.037 58.107 -1.070 1 1 582 . 6 1 1 A 62 62 SER HA H 62 4.596 4.851 -0.255 1 1 583 . 6 1 1 A 62 62 SER CB C 62 66.522 64.734 1.788 1 1 585 . 6 1 1 A 62 62 SER C C 62 172.446 173.453 -1.007 1 1 587 . 6 1 1 A 63 63 LYS N N 63 122.539 126.808 -4.269 1 1 588 . 6 1 1 A 63 63 LYS H H 63 8.620 8.533 0.087 1 1 589 . 6 1 1 A 63 63 LYS CA C 63 56.407 56.537 -0.130 1 1 590 . 6 1 1 A 63 63 LYS HA H 63 4.267 4.450 -0.183 1 1 591 . 6 1 1 A 63 63 LYS CB C 63 32.576 33.156 -0.580 1 1 596 . 6 1 1 A 63 63 LYS C C 63 176.658 176.477 0.181 1 1 601 . 6 1 1 A 64 64 VAL N N 64 120.278 120.995 -0.717 1 1 602 . 6 1 1 A 64 64 VAL H H 64 8.554 8.942 -0.388 1 1 603 . 6 1 1 A 64 64 VAL CA C 64 60.425 59.212 1.213 1 1 604 . 6 1 1 A 64 64 VAL HA H 64 4.460 4.934 -0.474 1 1 605 . 6 1 1 A 64 64 VAL CB C 64 32.938 34.543 -1.605 1 1 615 . 6 1 1 A 64 64 VAL C C 64 176.629 175.430 1.199 1 1 616 . 6 1 1 A 65 65 LYS N N 65 121.529 121.914 -0.385 1 1 617 . 6 1 1 A 65 65 LYS H H 65 8.139 8.714 -0.575 1 1 618 . 6 1 1 A 65 65 LYS CA C 65 56.181 55.548 0.633 1 1 619 . 6 1 1 A 65 65 LYS HA H 65 4.474 4.600 -0.126 1 1 620 . 6 1 1 A 65 65 LYS CB C 65 32.960 31.997 0.963 1 1 627 . 6 1 1 A 65 65 LYS C C 65 176.309 175.504 0.805 1 1 632 . 6 1 1 A 66 66 MET N N 66 125.382 118.696 6.686 1 1 633 . 6 1 1 A 66 66 MET H H 66 8.811 7.635 1.176 1 1 634 . 6 1 1 A 66 66 MET CA C 66 55.055 55.570 -0.515 1 1 635 . 6 1 1 A 66 66 MET HA H 66 5.393 4.857 0.536 1 1 636 . 6 1 1 A 66 66 MET CB C 66 37.398 33.116 4.282 1 1 644 . 6 1 1 A 66 66 MET C C 66 174.026 175.628 -1.602 1 1 647 . 6 1 1 A 67 67 ASP N N 67 122.714 118.716 3.998 1 1 648 . 6 1 1 A 67 67 ASP H H 67 8.995 8.616 0.379 1 1 649 . 6 1 1 A 67 67 ASP CA C 67 53.231 52.710 0.521 1 1 650 . 6 1 1 A 67 67 ASP HA H 67 4.854 5.314 -0.460 1 1 651 . 6 1 1 A 67 67 ASP CB C 67 44.980 45.113 -0.133 1 1 654 . 6 1 1 A 68 68 CYS H H 68 8.412 8.751 -0.339 1 1 655 . 6 1 1 A 68 68 CYS CA C 68 56.390 57.264 -0.874 1 1 656 . 6 1 1 A 68 68 CYS HA H 68 5.288 5.193 0.095 1 1 657 . 6 1 1 A 68 68 CYS CB C 68 28.188 28.666 -0.478 1 1 660 . 6 1 1 A 69 69 GLN N N 69 125.044 124.424 0.620 1 1 661 . 6 1 1 A 69 69 GLN H H 69 9.116 8.472 0.644 1 1 662 . 6 1 1 A 69 69 GLN CA C 69 56.403 55.045 1.358 1 1 663 . 6 1 1 A 69 69 GLN HA H 69 5.290 4.798 0.492 1 1 664 . 6 1 1 A 69 69 GLN CB C 69 32.962 30.161 2.801 1 1 671 . 6 1 1 A 70 70 GLU N N 70 125.781 125.054 0.727 1 1 672 . 6 1 1 A 70 70 GLU H H 70 8.979 8.656 0.323 1 1 673 . 6 1 1 A 70 70 GLU CA C 70 56.418 56.868 -0.450 1 1 674 . 6 1 1 A 70 70 GLU HA H 70 4.029 4.463 -0.434 1 1 675 . 6 1 1 A 70 70 GLU CB C 70 30.585 30.064 0.521 1 1 681 . 6 1 1 A 71 71 THR N N 71 118.158 111.902 6.256 1 1 682 . 6 1 1 A 71 71 THR H H 71 8.455 8.508 -0.053 1 1 683 . 6 1 1 A 71 71 THR CA C 71 59.209 58.704 0.505 1 1 684 . 6 1 1 A 71 71 THR HA H 71 4.902 4.853 0.049 1 1 685 . 6 1 1 A 71 71 THR CB C 71 68.926 70.819 -1.893 1 1 691 . 6 1 1 A 72 72 PRO CA C 72 65.290 64.411 0.879 1 1 692 . 6 1 1 A 72 72 PRO HA H 72 4.296 4.452 -0.156 1 1 693 . 6 1 1 A 72 72 PRO CB C 72 31.848 31.677 0.171 1 1 699 . 6 1 1 A 72 72 PRO C C 72 177.476 177.726 -0.250 1 1 703 . 6 1 1 A 73 73 GLU N N 73 112.293 118.030 -5.737 1 1 704 . 6 1 1 A 73 73 GLU H H 73 7.562 8.374 -0.812 1 1 705 . 6 1 1 A 73 73 GLU CA C 73 55.577 57.407 -1.830 1 1 706 . 6 1 1 A 73 73 GLU HA H 73 4.370 4.269 0.101 1 1 707 . 6 1 1 A 73 73 GLU CB C 73 30.787 30.569 0.218 1 1 711 . 6 1 1 A 73 73 GLU C C 73 174.438 176.256 -1.818 1 1 714 . 6 1 1 A 74 74 GLY N N 74 109.223 106.971 2.252 1 1 715 . 6 1 1 A 74 74 GLY H H 74 7.324 7.516 -0.192 1 1 716 . 6 1 1 A 74 74 GLY CA C 74 47.146 45.964 1.182 1 1 717 . 6 1 1 A 74 74 GLY HA3 H 74 3.551 4.103 -0.552 1 1 718 . 6 1 1 A 74 74 GLY C C 74 172.589 171.468 1.121 1 1 719 . 6 1 1 A 74 74 GLY HA2 H 74 4.949 3.980 0.969 1 1 720 . 6 1 1 A 75 75 TYR N N 75 123.117 120.298 2.819 1 1 721 . 6 1 1 A 75 75 TYR H H 75 8.883 8.463 0.420 1 1 722 . 6 1 1 A 75 75 TYR CA C 75 57.566 56.505 1.061 1 1 723 . 6 1 1 A 75 75 TYR HA H 75 5.171 5.334 -0.163 1 1 724 . 6 1 1 A 75 75 TYR CB C 75 44.111 42.644 1.467 1 1 734 . 6 1 1 A 75 75 TYR C C 75 173.925 173.847 0.078 1 1 736 . 6 1 1 A 76 76 LYS N N 76 124.633 125.252 -0.619 1 1 737 . 6 1 1 A 76 76 LYS H H 76 9.390 8.814 0.576 1 1 738 . 6 1 1 A 76 76 LYS CA C 76 55.055 54.791 0.264 1 1 739 . 6 1 1 A 76 76 LYS HA H 76 4.594 4.655 -0.061 1 1 740 . 6 1 1 A 76 76 LYS CB C 76 35.124 34.919 0.205 1 1 748 . 6 1 1 A 76 76 LYS C C 76 174.069 174.800 -0.731 1 1 753 . 6 1 1 A 77 77 VAL N N 77 126.947 126.179 0.768 1 1 754 . 6 1 1 A 77 77 VAL H H 77 8.607 8.028 0.579 1 1 755 . 6 1 1 A 77 77 VAL CA C 77 60.894 60.994 -0.100 1 1 756 . 6 1 1 A 77 77 VAL HA H 77 4.280 4.701 -0.421 1 1 757 . 6 1 1 A 77 77 VAL CB C 77 32.115 32.735 -0.620 1 1 767 . 6 1 1 A 77 77 VAL C C 77 173.586 174.557 -0.971 1 1 768 . 6 1 1 A 78 78 MET N N 78 123.986 126.604 -2.618 1 1 769 . 6 1 1 A 78 78 MET H H 78 8.410 8.350 0.060 1 1 770 . 6 1 1 A 78 78 MET CA C 78 53.236 53.543 -0.307 1 1 771 . 6 1 1 A 78 78 MET HA H 78 5.290 5.218 0.072 1 1 772 . 6 1 1 A 78 78 MET CB C 78 36.873 33.940 2.933 1 1 780 . 6 1 1 A 78 78 MET C C 78 174.665 174.935 -0.270 1 1 783 . 6 1 1 A 79 79 TYR N N 79 117.488 119.794 -2.306 1 1 784 . 6 1 1 A 79 79 TYR H H 79 8.739 8.122 0.617 1 1 785 . 6 1 1 A 79 79 TYR CA C 79 56.011 56.174 -0.163 1 1 786 . 6 1 1 A 79 79 TYR HA H 79 5.654 5.375 0.279 1 1 787 . 6 1 1 A 79 79 TYR CB C 79 41.549 41.640 -0.091 1 1 797 . 6 1 1 A 79 79 TYR C C 79 172.927 172.921 0.006 1 1 799 . 6 1 1 A 80 80 THR H H 80 8.383 8.891 -0.508 1 1 800 . 6 1 1 A 80 80 THR CA C 80 58.611 58.968 -0.357 1 1 801 . 6 1 1 A 80 80 THR HA H 80 4.978 4.749 0.229 1 1 802 . 6 1 1 A 80 80 THR CB C 80 70.258 71.187 -0.929 1 1 808 . 6 1 1 A 81 81 PRO CA C 81 61.531 62.991 -1.460 1 1 809 . 6 1 1 A 81 81 PRO HA H 81 4.532 4.680 -0.148 1 1 810 . 6 1 1 A 81 81 PRO CB C 81 32.774 32.144 0.630 1 1 819 . 6 1 1 A 82 82 MET N N 82 117.590 121.732 -4.142 1 1 820 . 6 1 1 A 82 82 MET H H 82 8.299 8.848 -0.549 1 1 821 . 6 1 1 A 82 82 MET CA C 82 53.882 57.092 -3.210 1 1 822 . 6 1 1 A 82 82 MET HA H 82 4.851 4.525 0.326 1 1 823 . 6 1 1 A 82 82 MET CB C 82 33.337 33.841 -0.504 1 1 831 . 6 1 1 A 82 82 MET C C 82 174.339 176.105 -1.766 1 1 834 . 6 1 1 A 83 83 ALA N N 83 119.196 119.167 0.029 1 1 835 . 6 1 1 A 83 83 ALA H H 83 7.076 7.940 -0.864 1 1 836 . 6 1 1 A 83 83 ALA CA C 83 49.425 49.907 -0.482 1 1 837 . 6 1 1 A 83 83 ALA HA H 83 4.791 4.785 0.006 1 1 838 . 6 1 1 A 83 83 ALA CB C 83 20.682 21.465 -0.783 1 1 842 . 6 1 1 A 83 83 ALA C C 83 174.364 174.670 -0.306 1 1 843 . 6 1 1 A 84 84 PRO CA C 84 62.540 63.389 -0.849 1 1 844 . 6 1 1 A 84 84 PRO HA H 84 4.244 4.525 -0.281 1 1 845 . 6 1 1 A 84 84 PRO CB C 84 32.615 33.483 -0.868 1 1 851 . 6 1 1 A 84 84 PRO C C 84 174.214 176.124 -1.910 1 1 855 . 6 1 1 A 85 85 GLY N N 85 105.436 107.881 -2.445 1 1 856 . 6 1 1 A 85 85 GLY H H 85 8.855 8.260 0.595 1 1 857 . 6 1 1 A 85 85 GLY CA C 85 44.156 44.366 -0.210 1 1 858 . 6 1 1 A 85 85 GLY HA3 H 85 3.761 4.164 -0.403 1 1 859 . 6 1 1 A 85 85 GLY C C 85 171.801 172.829 -1.028 1 1 860 . 6 1 1 A 85 85 GLY HA2 H 85 4.515 4.144 0.371 1 1 861 . 6 1 1 A 86 86 ASN N N 86 119.042 117.099 1.943 1 1 862 . 6 1 1 A 86 86 ASN H H 86 8.573 8.426 0.147 1 1 863 . 6 1 1 A 86 86 ASN CA C 86 52.499 51.655 0.844 1 1 864 . 6 1 1 A 86 86 ASN HA H 86 5.517 5.678 -0.161 1 1 865 . 6 1 1 A 86 86 ASN CB C 86 39.390 40.376 -0.986 1 1 870 . 6 1 1 A 86 86 ASN C C 86 174.453 174.035 0.418 1 1 872 . 6 1 1 A 87 87 TYR N N 87 122.992 122.164 0.828 1 1 873 . 6 1 1 A 87 87 TYR H H 87 9.369 8.960 0.409 1 1 874 . 6 1 1 A 87 87 TYR CA C 87 56.366 55.950 0.416 1 1 875 . 6 1 1 A 87 87 TYR HA H 87 5.140 5.433 -0.293 1 1 876 . 6 1 1 A 87 87 TYR CB C 87 40.267 41.558 -1.291 1 1 886 . 6 1 1 A 87 87 TYR C C 87 174.332 174.383 -0.051 1 1 888 . 6 1 1 A 88 88 LEU N N 88 124.720 123.458 1.262 1 1 889 . 6 1 1 A 88 88 LEU H H 88 9.306 8.749 0.557 1 1 890 . 6 1 1 A 88 88 LEU CA C 88 53.426 53.573 -0.147 1 1 891 . 6 1 1 A 88 88 LEU HA H 88 5.253 5.292 -0.039 1 1 892 . 6 1 1 A 88 88 LEU CB C 88 44.487 45.361 -0.874 1 1 904 . 6 1 1 A 88 88 LEU C C 88 177.074 174.584 2.490 1 1 906 . 6 1 1 A 89 89 ILE N N 89 130.469 127.739 2.730 1 1 907 . 6 1 1 A 89 89 ILE H H 89 9.807 9.203 0.604 1 1 908 . 6 1 1 A 89 89 ILE CA C 89 60.792 60.084 0.708 1 1 909 . 6 1 1 A 89 89 ILE HA H 89 4.851 4.843 0.008 1 1 910 . 6 1 1 A 89 89 ILE CB C 89 39.662 40.150 -0.488 1 1 922 . 6 1 1 A 89 89 ILE C C 89 175.605 174.555 1.050 1 1 924 . 6 1 1 A 90 90 SER N N 90 123.845 123.439 0.406 1 1 925 . 6 1 1 A 90 90 SER H H 90 9.540 8.591 0.949 1 1 926 . 6 1 1 A 90 90 SER CA C 90 58.036 56.367 1.669 1 1 927 . 6 1 1 A 90 90 SER HA H 90 5.199 5.275 -0.076 1 1 928 . 6 1 1 A 90 90 SER CB C 90 64.133 66.091 -1.958 1 1 930 . 6 1 1 A 90 90 SER C C 90 173.566 173.734 -0.168 1 1 932 . 6 1 1 A 91 91 VAL N N 91 128.427 123.594 4.833 1 1 933 . 6 1 1 A 91 91 VAL H H 91 9.918 8.755 1.163 1 1 934 . 6 1 1 A 91 91 VAL CA C 91 61.447 61.396 0.051 1 1 935 . 6 1 1 A 91 91 VAL HA H 91 4.837 4.887 -0.050 1 1 936 . 6 1 1 A 91 91 VAL CB C 91 33.761 35.015 -1.254 1 1 946 . 6 1 1 A 91 91 VAL C C 91 173.296 174.706 -1.410 1 1 947 . 6 1 1 A 92 92 LYS N N 92 125.779 126.693 -0.914 1 1 948 . 6 1 1 A 92 92 LYS H H 92 8.892 9.364 -0.472 1 1 949 . 6 1 1 A 92 92 LYS CA C 92 54.468 54.726 -0.258 1 1 950 . 6 1 1 A 92 92 LYS HA H 92 5.065 5.088 -0.023 1 1 951 . 6 1 1 A 92 92 LYS CB C 92 36.106 35.778 0.328 1 1 959 . 6 1 1 A 92 92 LYS C C 92 175.189 173.976 1.213 1 1 964 . 6 1 1 A 93 93 TYR N N 93 120.251 125.439 -5.188 1 1 965 . 6 1 1 A 93 93 TYR H H 93 8.061 9.034 -0.973 1 1 966 . 6 1 1 A 93 93 TYR CA C 93 56.884 57.012 -0.128 1 1 967 . 6 1 1 A 93 93 TYR HA H 93 5.522 4.994 0.528 1 1 968 . 6 1 1 A 93 93 TYR CB C 93 44.120 40.367 3.753 1 1 978 . 6 1 1 A 93 93 TYR C C 93 175.517 175.425 0.092 1 1 980 . 6 1 1 A 94 94 GLY N N 94 114.148 114.196 -0.048 1 1 981 . 6 1 1 A 94 94 GLY H H 94 8.274 8.971 -0.697 1 1 982 . 6 1 1 A 94 94 GLY CA C 94 45.959 46.859 -0.900 1 1 983 . 6 1 1 A 94 94 GLY HA3 H 94 3.705 3.769 -0.064 1 1 984 . 6 1 1 A 94 94 GLY C C 94 173.595 173.748 -0.153 1 1 985 . 6 1 1 A 94 94 GLY HA2 H 94 3.877 3.544 0.333 1 1 986 . 6 1 1 A 95 95 GLY N N 95 107.010 106.754 0.256 1 1 987 . 6 1 1 A 95 95 GLY H H 95 7.452 7.634 -0.182 1 1 988 . 6 1 1 A 95 95 GLY CA C 95 43.954 45.329 -1.375 1 1 989 . 6 1 1 A 95 95 GLY HA3 H 95 3.618 4.076 -0.458 1 1 990 . 6 1 1 A 95 95 GLY C C 95 172.825 174.129 -1.304 1 1 991 . 6 1 1 A 95 95 GLY HA2 H 95 4.507 4.072 0.435 1 1 992 . 6 1 1 A 96 96 PRO CA C 96 63.221 63.708 -0.487 1 1 993 . 6 1 1 A 96 96 PRO HA H 96 4.413 4.531 -0.118 1 1 994 . 6 1 1 A 96 96 PRO CB C 96 30.955 31.587 -0.632 1 1 1000 . 6 1 1 A 96 96 PRO C C 96 175.901 176.429 -0.528 1 1 1004 . 6 1 1 A 97 97 ASN N N 97 119.942 118.473 1.469 1 1 1005 . 6 1 1 A 97 97 ASN H H 97 8.172 8.099 0.073 1 1 1006 . 6 1 1 A 97 97 ASN CA C 97 52.914 52.541 0.373 1 1 1007 . 6 1 1 A 97 97 ASN HA H 97 4.864 4.926 -0.062 1 1 1008 . 6 1 1 A 97 97 ASN CB C 97 39.806 40.178 -0.372 1 1 1013 . 6 1 1 A 97 97 ASN C C 97 174.285 175.298 -1.013 1 1 1015 . 6 1 1 A 98 98 HIS N N 98 121.803 120.609 1.194 1 1 1016 . 6 1 1 A 98 98 HIS H H 98 8.456 8.571 -0.115 1 1 1017 . 6 1 1 A 98 98 HIS CA C 98 58.023 54.983 3.040 1 1 1018 . 6 1 1 A 98 98 HIS HA H 98 4.475 5.035 -0.560 1 1 1019 . 6 1 1 A 98 98 HIS CB C 98 33.382 31.512 1.870 1 1 1025 . 6 1 1 A 98 98 HIS C C 98 177.938 175.491 2.447 1 1 1027 . 6 1 1 A 99 99 ILE N N 99 115.599 116.275 -0.676 1 1 1028 . 6 1 1 A 99 99 ILE H H 99 8.237 8.249 -0.012 1 1 1029 . 6 1 1 A 99 99 ILE CA C 99 60.895 59.695 1.200 1 1 1030 . 6 1 1 A 99 99 ILE HA H 99 4.545 4.269 0.276 1 1 1031 . 6 1 1 A 99 99 ILE CB C 99 38.675 39.622 -0.947 1 1 1043 . 6 1 1 A 99 99 ILE C C 99 176.165 175.879 0.286 1 1 1045 . 6 1 1 A 100 100 VAL H H 100 8.389 8.417 -0.028 1 1 1046 . 6 1 1 A 100 100 VAL CA C 100 65.835 65.037 0.798 1 1 1047 . 6 1 1 A 100 100 VAL HA H 100 3.673 3.712 -0.039 1 1 1048 . 6 1 1 A 100 100 VAL CB C 100 31.169 31.805 -0.636 1 1 1058 . 6 1 1 A 101 101 GLY N N 101 116.014 115.328 0.686 1 1 1059 . 6 1 1 A 101 101 GLY H H 101 8.297 8.966 -0.669 1 1 1060 . 6 1 1 A 101 101 GLY CA C 101 44.626 45.417 -0.791 1 1 1061 . 6 1 1 A 101 101 GLY HA3 H 101 3.227 4.086 -0.859 1 1 1062 . 6 1 1 A 101 101 GLY C C 101 171.863 173.997 -2.134 1 1 1063 . 6 1 1 A 101 101 GLY HA2 H 101 4.207 4.016 0.191 1 1 1064 . 6 1 1 A 102 102 SER N N 102 111.977 117.174 -5.197 1 1 1065 . 6 1 1 A 102 102 SER H H 102 7.304 7.647 -0.343 1 1 1066 . 6 1 1 A 102 102 SER CA C 102 54.570 57.234 -2.664 1 1 1067 . 6 1 1 A 102 102 SER HA H 102 3.915 3.641 0.274 1 1 1068 . 6 1 1 A 102 102 SER CB C 102 62.569 63.369 -0.800 1 1 1071 . 6 1 1 A 103 103 PRO CA C 103 62.215 62.249 -0.034 1 1 1072 . 6 1 1 A 103 103 PRO HA H 103 5.475 4.298 1.177 1 1 1073 . 6 1 1 A 103 103 PRO CB C 103 33.552 32.199 1.353 1 1 1079 . 6 1 1 A 103 103 PRO C C 103 175.646 176.189 -0.543 1 1 1083 . 6 1 1 A 104 104 PHE N N 104 123.291 120.986 2.305 1 1 1084 . 6 1 1 A 104 104 PHE H H 104 9.465 8.357 1.108 1 1 1085 . 6 1 1 A 104 104 PHE CA C 104 57.015 57.591 -0.576 1 1 1086 . 6 1 1 A 104 104 PHE HA H 104 4.531 4.808 -0.277 1 1 1087 . 6 1 1 A 104 104 PHE CB C 104 40.607 40.246 0.361 1 1 1099 . 6 1 1 A 104 104 PHE C C 104 175.305 175.389 -0.084 1 1 1101 . 6 1 1 A 105 105 LYS N N 105 123.989 123.263 0.726 1 1 1102 . 6 1 1 A 105 105 LYS H H 105 8.712 8.997 -0.285 1 1 1103 . 6 1 1 A 105 105 LYS CA C 105 55.868 55.068 0.800 1 1 1104 . 6 1 1 A 105 105 LYS HA H 105 4.913 4.698 0.215 1 1 1105 . 6 1 1 A 105 105 LYS CB C 105 32.762 32.439 0.323 1 1 1113 . 6 1 1 A 105 105 LYS C C 105 174.065 175.510 -1.445 1 1 1118 . 6 1 1 A 106 106 ALA N N 106 129.654 128.361 1.293 1 1 1119 . 6 1 1 A 106 106 ALA H H 106 8.964 8.489 0.475 1 1 1120 . 6 1 1 A 106 106 ALA CA C 106 50.325 50.792 -0.467 1 1 1121 . 6 1 1 A 106 106 ALA HA H 106 4.497 5.258 -0.761 1 1 1122 . 6 1 1 A 106 106 ALA CB C 106 20.496 21.128 -0.632 1 1 1126 . 6 1 1 A 106 106 ALA C C 106 176.111 175.916 0.195 1 1 1127 . 6 1 1 A 107 107 LYS N N 107 124.155 122.813 1.342 1 1 1128 . 6 1 1 A 107 107 LYS H H 107 7.955 8.673 -0.718 1 1 1129 . 6 1 1 A 107 107 LYS CA C 107 55.904 54.740 1.164 1 1 1130 . 6 1 1 A 107 107 LYS HA H 107 4.950 5.082 -0.132 1 1 1131 . 6 1 1 A 107 107 LYS CB C 107 33.755 35.642 -1.887 1 1 1139 . 6 1 1 A 107 107 LYS C C 107 175.350 175.105 0.245 1 1 1144 . 6 1 1 A 108 108 VAL N N 108 128.726 127.384 1.342 1 1 1145 . 6 1 1 A 108 108 VAL H H 108 9.373 9.109 0.264 1 1 1146 . 6 1 1 A 108 108 VAL CA C 108 60.804 61.091 -0.287 1 1 1147 . 6 1 1 A 108 108 VAL HA H 108 4.851 4.791 0.060 1 1 1148 . 6 1 1 A 108 108 VAL CB C 108 33.175 33.886 -0.711 1 1 1158 . 6 1 1 A 108 108 VAL C C 108 177.017 176.281 0.736 1 1 1159 . 6 1 1 A 109 109 THR N N 109 121.067 118.480 2.587 1 1 1160 . 6 1 1 A 109 109 THR H H 109 8.527 8.429 0.098 1 1 1161 . 6 1 1 A 109 109 THR CA C 109 60.138 60.532 -0.394 1 1 1162 . 6 1 1 A 109 109 THR HA H 109 4.864 4.683 0.181 1 1 1163 . 6 1 1 A 109 109 THR CB C 109 70.960 70.970 -0.010 1 1 1169 . 6 1 1 A 109 109 THR C C 109 173.130 175.935 -2.805 1 1 1170 . 6 1 1 A 110 110 GLY N N 110 106.893 109.627 -2.734 1 1 1171 . 6 1 1 A 110 110 GLY H H 110 8.404 8.798 -0.394 1 1 1172 . 6 1 1 A 110 110 GLY CA C 110 43.888 47.300 -3.412 1 1 1173 . 6 1 1 A 110 110 GLY HA3 H 110 3.851 3.779 0.072 1 1 1174 . 6 1 1 A 110 110 GLY C C 110 173.870 175.479 -1.609 1 1 1175 . 6 1 1 A 110 110 GLY HA2 H 110 4.773 3.772 1.001 1 1 1176 . 6 1 1 A 111 111 GLN N N 111 116.999 118.754 -1.755 1 1 1177 . 6 1 1 A 111 111 GLN H H 111 8.234 7.869 0.365 1 1 1178 . 6 1 1 A 111 111 GLN CA C 111 55.230 56.800 -1.570 1 1 1179 . 6 1 1 A 111 111 GLN HA H 111 4.269 3.845 0.424 1 1 1180 . 6 1 1 A 111 111 GLN CB C 111 30.118 26.952 3.166 1 1 1187 . 6 1 1 A 111 111 GLN C C 111 176.550 175.201 1.349 1 1 1190 . 6 1 1 A 112 112 ARG N N 112 122.131 119.342 2.789 1 1 1191 . 6 1 1 A 112 112 ARG H H 112 8.832 8.024 0.808 1 1 1192 . 6 1 1 A 112 112 ARG CA C 112 57.384 56.934 0.450 1 1 1193 . 6 1 1 A 112 112 ARG HA H 112 4.300 4.295 0.005 1 1 1194 . 6 1 1 A 112 112 ARG CB C 112 30.059 31.494 -1.435 1 1 1200 . 6 1 1 A 112 112 ARG C C 112 175.836 175.525 0.311 1 1 1204 . 6 1 1 A 113 113 LEU N N 113 126.764 123.445 3.319 1 1 1205 . 6 1 1 A 113 113 LEU H H 113 8.424 8.684 -0.260 1 1 1206 . 6 1 1 A 113 113 LEU CA C 113 54.919 53.815 1.104 1 1 1207 . 6 1 1 A 113 113 LEU HA H 113 4.517 4.819 -0.302 1 1 1208 . 6 1 1 A 113 113 LEU CB C 113 42.706 41.966 0.740 1 1 1220 . 6 1 1 A 113 113 LEU C C 113 176.521 175.280 1.241 1 1 1222 . 6 1 1 A 116 116 PRO CA C 116 63.729 64.931 -1.202 1 1 1223 . 6 1 1 A 116 116 PRO HA H 116 4.436 4.421 0.015 1 1 1224 . 6 1 1 A 116 116 PRO CB C 116 32.182 32.120 0.062 1 1 1233 . 6 1 1 A 117 117 GLY N N 117 110.092 107.325 2.767 1 1 1234 . 6 1 1 A 117 117 GLY H H 117 8.493 8.250 0.243 1 1 1235 . 6 1 1 A 118 118 SER CA C 118 58.420 57.166 1.254 1 1 1236 . 6 1 1 A 118 118 SER HA H 118 4.454 4.834 -0.380 1 1 1237 . 6 1 1 A 118 118 SER CB C 118 64.014 63.631 0.383 1 1 1239 . 6 1 1 A 118 118 SER C C 118 174.495 173.592 0.903 1 1 1241 . 6 1 1 A 119 119 ALA N N 119 125.244 129.435 -4.191 1 1 1242 . 6 1 1 A 119 119 ALA H H 119 8.365 8.456 -0.091 1 1 1243 . 6 1 1 A 119 119 ALA CA C 119 52.697 51.460 1.237 1 1 1244 . 6 1 1 A 119 119 ALA HA H 119 4.333 4.981 -0.648 1 1 1245 . 6 1 1 A 119 119 ALA CB C 119 19.378 22.901 -3.523 1 1 1249 . 6 1 1 A 119 119 ALA C C 119 177.362 175.195 2.167 1 1 1250 . 6 1 1 A 120 120 ASN N N 120 117.122 122.068 -4.946 1 1 1251 . 6 1 1 A 120 120 ASN H H 120 8.311 8.955 -0.644 1 1 1252 . 6 1 1 A 120 120 ASN CA C 120 53.198 52.610 0.588 1 1 1253 . 6 1 1 A 120 120 ASN HA H 120 4.659 4.924 -0.265 1 1 1254 . 6 1 1 A 120 120 ASN CB C 120 38.852 39.361 -0.509 1 1 1259 . 6 1 1 A 120 120 ASN C C 120 175.112 174.497 0.615 1 1 1261 . 6 1 1 A 122 122 THR CA C 122 61.947 60.282 1.665 1 1 1262 . 6 1 1 A 122 122 THR HA H 122 4.197 4.746 -0.549 1 1 1263 . 6 1 1 A 122 122 THR CB C 122 69.949 70.356 -0.407 1 1 1 . 7 1 1 A 9 9 LYS N N 9 120.806 123.910 -3.104 1 1 2 . 7 1 1 A 9 9 LYS H H 9 8.548 8.517 0.031 1 1 3 . 7 1 1 A 9 9 LYS CA C 9 56.358 56.648 -0.290 1 1 4 . 7 1 1 A 9 9 LYS HA H 9 4.261 4.237 0.024 1 1 5 . 7 1 1 A 9 9 LYS CB C 9 32.673 32.773 -0.100 1 1 17 . 7 1 1 A 10 10 VAL HA H 10 4.307 4.888 -0.581 1 1 18 . 7 1 1 A 10 10 VAL CB C 10 34.845 35.308 -0.463 1 1 24 . 7 1 1 A 11 11 ARG N N 11 125.757 124.041 1.716 1 1 25 . 7 1 1 A 11 11 ARG H H 11 8.546 8.927 -0.381 1 1 26 . 7 1 1 A 11 11 ARG CA C 11 55.966 54.577 1.389 1 1 27 . 7 1 1 A 11 11 ARG HA H 11 4.463 4.966 -0.503 1 1 28 . 7 1 1 A 11 11 ARG CB C 11 30.834 33.167 -2.333 1 1 37 . 7 1 1 A 12 12 VAL CA C 12 62.370 60.012 2.358 1 1 38 . 7 1 1 A 12 12 VAL HA H 12 4.205 4.957 -0.752 1 1 39 . 7 1 1 A 12 12 VAL CB C 12 32.571 34.638 -2.067 1 1 48 . 7 1 1 A 13 13 GLY N N 13 113.294 114.502 -1.208 1 1 49 . 7 1 1 A 13 13 GLY H H 13 8.608 8.271 0.337 1 1 50 . 7 1 1 A 13 13 GLY CA C 13 44.973 45.545 -0.572 1 1 51 . 7 1 1 A 13 13 GLY HA3 H 13 4.024 4.017 0.007 1 1 52 . 7 1 1 A 13 13 GLY HA2 H 13 3.891 4.015 -0.124 1 1 53 . 7 1 1 A 14 14 GLU N N 14 120.644 120.244 0.400 1 1 54 . 7 1 1 A 14 14 GLU H H 14 8.139 7.913 0.226 1 1 55 . 7 1 1 A 14 14 GLU CA C 14 54.101 54.512 -0.411 1 1 56 . 7 1 1 A 14 14 GLU HA H 14 4.626 4.495 0.131 1 1 57 . 7 1 1 A 14 14 GLU CB C 14 30.026 30.250 -0.224 1 1 63 . 7 1 1 A 15 15 PRO CA C 15 63.731 62.901 0.830 1 1 64 . 7 1 1 A 15 15 PRO HA H 15 4.319 4.578 -0.259 1 1 65 . 7 1 1 A 15 15 PRO CB C 15 31.974 33.695 -1.721 1 1 71 . 7 1 1 A 15 15 PRO C C 15 177.450 176.525 0.925 1 1 75 . 7 1 1 A 16 16 GLY N N 16 109.768 108.347 1.421 1 1 76 . 7 1 1 A 16 16 GLY H H 16 8.577 8.123 0.454 1 1 77 . 7 1 1 A 16 16 GLY CA C 16 45.424 45.819 -0.395 1 1 78 . 7 1 1 A 16 16 GLY HA3 H 16 3.804 4.040 -0.236 1 1 79 . 7 1 1 A 16 16 GLY C C 16 174.160 173.920 0.240 1 1 80 . 7 1 1 A 16 16 GLY HA2 H 16 4.086 4.038 0.048 1 1 81 . 7 1 1 A 17 17 GLN N N 17 119.726 116.867 2.859 1 1 82 . 7 1 1 A 17 17 GLN H H 17 7.868 8.179 -0.311 1 1 83 . 7 1 1 A 17 17 GLN CA C 17 55.403 54.644 0.759 1 1 84 . 7 1 1 A 17 17 GLN HA H 17 4.389 4.630 -0.241 1 1 85 . 7 1 1 A 17 17 GLN CB C 17 29.894 28.713 1.181 1 1 92 . 7 1 1 A 17 17 GLN C C 17 175.290 175.220 0.070 1 1 95 . 7 1 1 A 18 18 ALA N N 18 125.593 125.600 -0.007 1 1 96 . 7 1 1 A 18 18 ALA H H 18 8.469 8.349 0.120 1 1 97 . 7 1 1 A 18 18 ALA CA C 18 52.389 53.873 -1.484 1 1 98 . 7 1 1 A 18 18 ALA HA H 18 4.448 4.051 0.397 1 1 99 . 7 1 1 A 18 18 ALA CB C 18 19.959 18.569 1.390 1 1 103 . 7 1 1 A 18 18 ALA C C 18 177.464 178.724 -1.260 1 1 104 . 7 1 1 A 19 19 GLY N N 19 109.162 110.436 -1.274 1 1 105 . 7 1 1 A 19 19 GLY H H 19 8.294 8.885 -0.591 1 1 106 . 7 1 1 A 19 19 GLY CA C 19 45.270 47.014 -1.744 1 1 107 . 7 1 1 A 19 19 GLY HA3 H 19 3.853 4.094 -0.241 1 1 108 . 7 1 1 A 19 19 GLY C C 19 173.012 174.777 -1.765 1 1 109 . 7 1 1 A 19 19 GLY HA2 H 19 4.207 3.962 0.245 1 1 110 . 7 1 1 A 20 20 ASN N N 20 118.861 118.431 0.430 1 1 111 . 7 1 1 A 20 20 ASN H H 20 8.479 8.178 0.301 1 1 112 . 7 1 1 A 20 20 ASN CA C 20 50.128 49.847 0.281 1 1 113 . 7 1 1 A 20 20 ASN HA H 20 5.236 5.127 0.109 1 1 114 . 7 1 1 A 20 20 ASN CB C 20 39.697 39.586 0.111 1 1 119 . 7 1 1 A 20 20 ASN C C 20 174.482 174.815 -0.333 1 1 121 . 7 1 1 A 21 21 PRO CA C 21 64.588 65.097 -0.509 1 1 122 . 7 1 1 A 21 21 PRO HA H 21 4.312 4.382 -0.070 1 1 123 . 7 1 1 A 21 21 PRO CB C 21 31.950 32.142 -0.192 1 1 129 . 7 1 1 A 21 21 PRO C C 21 177.141 178.150 -1.009 1 1 133 . 7 1 1 A 22 22 ALA N N 22 118.898 119.145 -0.247 1 1 134 . 7 1 1 A 22 22 ALA H H 22 7.918 8.058 -0.140 1 1 135 . 7 1 1 A 22 22 ALA CA C 22 53.499 55.333 -1.834 1 1 136 . 7 1 1 A 22 22 ALA HA H 22 4.386 4.012 0.374 1 1 137 . 7 1 1 A 22 22 ALA CB C 22 18.288 18.195 0.093 1 1 141 . 7 1 1 A 22 22 ALA C C 22 178.115 180.352 -2.237 1 1 142 . 7 1 1 A 23 23 LEU N N 23 116.219 117.515 -1.296 1 1 143 . 7 1 1 A 23 23 LEU H H 23 7.696 8.498 -0.802 1 1 144 . 7 1 1 A 23 23 LEU CA C 23 53.851 58.028 -4.177 1 1 145 . 7 1 1 A 23 23 LEU HA H 23 4.475 3.916 0.559 1 1 146 . 7 1 1 A 23 23 LEU CB C 23 41.958 41.798 0.160 1 1 158 . 7 1 1 A 23 23 LEU C C 23 176.653 177.970 -1.317 1 1 160 . 7 1 1 A 24 24 VAL N N 24 122.233 119.469 2.764 1 1 161 . 7 1 1 A 24 24 VAL H H 24 7.207 7.522 -0.315 1 1 162 . 7 1 1 A 24 24 VAL CA C 24 62.768 63.630 -0.862 1 1 163 . 7 1 1 A 24 24 VAL HA H 24 4.081 3.870 0.211 1 1 164 . 7 1 1 A 24 24 VAL CB C 24 32.408 31.539 0.869 1 1 174 . 7 1 1 A 24 24 VAL C C 24 174.702 176.140 -1.438 1 1 175 . 7 1 1 A 25 25 SER N N 25 120.181 121.419 -1.238 1 1 176 . 7 1 1 A 25 25 SER H H 25 8.109 8.455 -0.346 1 1 177 . 7 1 1 A 25 25 SER CA C 25 56.489 57.845 -1.356 1 1 178 . 7 1 1 A 25 25 SER HA H 25 5.159 5.316 -0.157 1 1 179 . 7 1 1 A 25 25 SER CB C 25 66.443 66.539 -0.096 1 1 181 . 7 1 1 A 25 25 SER C C 25 172.102 172.687 -0.585 1 1 183 . 7 1 1 A 26 26 ALA N N 26 124.850 124.240 0.610 1 1 184 . 7 1 1 A 26 26 ALA H H 26 8.839 8.737 0.102 1 1 185 . 7 1 1 A 26 26 ALA CA C 26 50.395 51.006 -0.611 1 1 186 . 7 1 1 A 26 26 ALA HA H 26 5.796 5.118 0.678 1 1 187 . 7 1 1 A 26 26 ALA CB C 26 22.868 22.724 0.144 1 1 191 . 7 1 1 A 26 26 ALA C C 26 175.694 175.282 0.412 1 1 192 . 7 1 1 A 27 27 TYR N N 27 117.541 117.574 -0.033 1 1 193 . 7 1 1 A 27 27 TYR H H 27 8.831 8.568 0.263 1 1 194 . 7 1 1 A 27 27 TYR CA C 27 56.610 55.767 0.843 1 1 195 . 7 1 1 A 27 27 TYR HA H 27 4.851 5.372 -0.521 1 1 196 . 7 1 1 A 27 27 TYR CB C 27 39.737 41.794 -2.057 1 1 206 . 7 1 1 A 27 27 TYR C C 27 173.299 173.946 -0.647 1 1 208 . 7 1 1 A 28 28 GLY N N 28 108.355 106.416 1.939 1 1 209 . 7 1 1 A 28 28 GLY H H 28 8.788 8.551 0.237 1 1 210 . 7 1 1 A 28 28 GLY CA C 28 44.056 46.044 -1.988 1 1 211 . 7 1 1 A 28 28 GLY HA3 H 28 4.304 4.433 -0.129 1 1 212 . 7 1 1 A 28 28 GLY C C 28 176.208 173.714 2.494 1 1 213 . 7 1 1 A 28 28 GLY HA2 H 28 5.047 4.430 0.617 1 1 214 . 7 1 1 A 29 29 THR N N 29 115.659 114.200 1.459 1 1 215 . 7 1 1 A 29 29 THR H H 29 9.027 8.039 0.988 1 1 216 . 7 1 1 A 29 29 THR CA C 29 65.419 64.445 0.974 1 1 217 . 7 1 1 A 29 29 THR HA H 29 4.171 4.424 -0.253 1 1 218 . 7 1 1 A 29 29 THR CB C 29 68.659 69.387 -0.728 1 1 224 . 7 1 1 A 29 29 THR C C 29 178.141 177.422 0.719 1 1 225 . 7 1 1 A 30 30 GLY N N 30 107.400 107.998 -0.598 1 1 226 . 7 1 1 A 30 30 GLY H H 30 8.747 8.397 0.350 1 1 227 . 7 1 1 A 30 30 GLY CA C 30 46.719 46.619 0.100 1 1 228 . 7 1 1 A 30 30 GLY HA3 H 30 3.556 4.040 -0.484 1 1 229 . 7 1 1 A 30 30 GLY C C 30 173.896 175.091 -1.195 1 1 230 . 7 1 1 A 30 30 GLY HA2 H 30 4.483 3.925 0.558 1 1 231 . 7 1 1 A 31 31 LEU N N 31 118.075 121.572 -3.497 1 1 232 . 7 1 1 A 31 31 LEU H H 31 7.389 8.001 -0.612 1 1 233 . 7 1 1 A 31 31 LEU CA C 31 55.799 56.689 -0.890 1 1 234 . 7 1 1 A 31 31 LEU HA H 31 3.778 4.119 -0.341 1 1 235 . 7 1 1 A 31 31 LEU CB C 31 41.564 42.048 -0.484 1 1 247 . 7 1 1 A 31 31 LEU C C 31 176.045 178.594 -2.549 1 1 249 . 7 1 1 A 32 32 GLU N N 32 112.872 117.259 -4.387 1 1 250 . 7 1 1 A 32 32 GLU H H 32 7.509 7.858 -0.349 1 1 251 . 7 1 1 A 32 32 GLU CA C 32 56.330 58.042 -1.712 1 1 252 . 7 1 1 A 32 32 GLU HA H 32 4.717 4.159 0.558 1 1 253 . 7 1 1 A 32 32 GLU CB C 32 31.924 30.398 1.526 1 1 257 . 7 1 1 A 32 32 GLU C C 32 177.958 176.521 1.437 1 1 260 . 7 1 1 A 33 33 GLY N N 33 107.880 105.032 2.848 1 1 261 . 7 1 1 A 33 33 GLY H H 33 7.822 7.311 0.511 1 1 262 . 7 1 1 A 33 33 GLY CA C 33 45.568 45.571 -0.003 1 1 263 . 7 1 1 A 33 33 GLY HA3 H 33 4.125 4.120 0.005 1 1 264 . 7 1 1 A 33 33 GLY C C 33 172.046 172.109 -0.063 1 1 265 . 7 1 1 A 33 33 GLY HA2 H 33 4.661 4.107 0.554 1 1 266 . 7 1 1 A 34 34 GLY N N 34 105.841 108.314 -2.473 1 1 267 . 7 1 1 A 34 34 GLY H H 34 7.740 8.655 -0.915 1 1 268 . 7 1 1 A 34 34 GLY CA C 34 45.215 45.345 -0.130 1 1 269 . 7 1 1 A 34 34 GLY HA3 H 34 3.988 4.197 -0.209 1 1 270 . 7 1 1 A 34 34 GLY C C 34 171.280 172.831 -1.551 1 1 271 . 7 1 1 A 34 34 GLY HA2 H 34 4.030 4.175 -0.145 1 1 272 . 7 1 1 A 35 35 THR N N 35 119.173 115.999 3.174 1 1 273 . 7 1 1 A 35 35 THR H H 35 9.363 8.670 0.693 1 1 274 . 7 1 1 A 35 35 THR CA C 35 60.844 60.757 0.087 1 1 275 . 7 1 1 A 35 35 THR HA H 35 5.177 4.998 0.179 1 1 276 . 7 1 1 A 35 35 THR CB C 35 72.095 70.057 2.038 1 1 282 . 7 1 1 A 35 35 THR C C 35 173.460 173.890 -0.430 1 1 283 . 7 1 1 A 36 36 THR N N 36 116.864 121.856 -4.992 1 1 284 . 7 1 1 A 36 36 THR H H 36 8.425 8.656 -0.231 1 1 285 . 7 1 1 A 36 36 THR CA C 36 62.841 64.544 -1.703 1 1 286 . 7 1 1 A 36 36 THR HA H 36 3.701 3.975 -0.274 1 1 287 . 7 1 1 A 36 36 THR CB C 36 68.447 68.464 -0.017 1 1 293 . 7 1 1 A 36 36 THR C C 36 175.396 175.729 -0.333 1 1 294 . 7 1 1 A 37 37 GLY N N 37 107.461 114.266 -6.805 1 1 295 . 7 1 1 A 37 37 GLY H H 37 8.548 8.416 0.132 1 1 296 . 7 1 1 A 37 37 GLY CA C 37 45.434 44.954 0.480 1 1 297 . 7 1 1 A 37 37 GLY HA3 H 37 3.386 3.975 -0.589 1 1 298 . 7 1 1 A 37 37 GLY C C 37 172.598 174.349 -1.751 1 1 299 . 7 1 1 A 37 37 GLY HA2 H 37 4.024 3.975 0.049 1 1 300 . 7 1 1 A 38 38 ILE N N 38 122.313 121.540 0.773 1 1 301 . 7 1 1 A 38 38 ILE H H 38 7.871 7.909 -0.038 1 1 302 . 7 1 1 A 38 38 ILE CA C 38 58.566 60.120 -1.554 1 1 303 . 7 1 1 A 38 38 ILE HA H 38 4.274 4.492 -0.218 1 1 304 . 7 1 1 A 38 38 ILE CB C 38 38.476 39.386 -0.910 1 1 316 . 7 1 1 A 38 38 ILE C C 38 175.081 174.931 0.150 1 1 318 . 7 1 1 A 39 39 GLN N N 39 127.942 124.929 3.013 1 1 319 . 7 1 1 A 39 39 GLN H H 39 8.487 8.633 -0.146 1 1 320 . 7 1 1 A 39 39 GLN CA C 39 57.394 54.153 3.241 1 1 321 . 7 1 1 A 39 39 GLN HA H 39 4.312 4.649 -0.337 1 1 322 . 7 1 1 A 39 39 GLN CB C 39 31.057 30.285 0.772 1 1 329 . 7 1 1 A 39 39 GLN C C 39 176.011 175.222 0.789 1 1 332 . 7 1 1 A 40 40 SER N N 40 125.784 120.175 5.609 1 1 333 . 7 1 1 A 40 40 SER H H 40 9.167 8.503 0.664 1 1 334 . 7 1 1 A 40 40 SER CA C 40 58.188 57.145 1.043 1 1 335 . 7 1 1 A 40 40 SER HA H 40 4.633 4.851 -0.218 1 1 336 . 7 1 1 A 40 40 SER CB C 40 66.149 65.017 1.132 1 1 338 . 7 1 1 A 40 40 SER C C 40 172.625 173.853 -1.228 1 1 340 . 7 1 1 A 41 41 GLU N N 41 117.679 118.826 -1.147 1 1 341 . 7 1 1 A 41 41 GLU H H 41 8.773 9.158 -0.385 1 1 342 . 7 1 1 A 41 41 GLU CA C 41 54.060 54.882 -0.822 1 1 343 . 7 1 1 A 41 41 GLU HA H 41 5.629 5.098 0.531 1 1 344 . 7 1 1 A 41 41 GLU CB C 41 34.053 32.953 1.100 1 1 348 . 7 1 1 A 41 41 GLU C C 41 175.607 175.393 0.214 1 1 351 . 7 1 1 A 42 42 PHE N N 42 116.557 118.629 -2.072 1 1 352 . 7 1 1 A 42 42 PHE H H 42 8.753 8.343 0.410 1 1 353 . 7 1 1 A 42 42 PHE CA C 42 56.847 55.411 1.436 1 1 354 . 7 1 1 A 42 42 PHE HA H 42 4.743 5.843 -1.100 1 1 355 . 7 1 1 A 42 42 PHE CB C 42 40.908 42.516 -1.608 1 1 367 . 7 1 1 A 42 42 PHE C C 42 170.204 173.396 -3.192 1 1 369 . 7 1 1 A 43 43 PHE N N 43 118.643 121.017 -2.374 1 1 370 . 7 1 1 A 43 43 PHE H H 43 9.234 8.824 0.410 1 1 371 . 7 1 1 A 43 43 PHE CA C 43 57.292 57.569 -0.277 1 1 372 . 7 1 1 A 43 43 PHE HA H 43 5.041 4.721 0.320 1 1 373 . 7 1 1 A 43 43 PHE CB C 43 42.583 40.622 1.961 1 1 385 . 7 1 1 A 43 43 PHE C C 43 174.177 175.848 -1.671 1 1 387 . 7 1 1 A 44 44 ILE N N 44 120.124 120.282 -0.158 1 1 388 . 7 1 1 A 44 44 ILE H H 44 8.876 8.766 0.110 1 1 389 . 7 1 1 A 44 44 ILE CA C 44 59.698 60.166 -0.468 1 1 390 . 7 1 1 A 44 44 ILE HA H 44 4.717 4.559 0.158 1 1 391 . 7 1 1 A 44 44 ILE CB C 44 40.591 40.836 -0.245 1 1 403 . 7 1 1 A 44 44 ILE C C 44 174.483 175.241 -0.758 1 1 405 . 7 1 1 A 45 45 ASN N N 45 127.058 125.712 1.346 1 1 406 . 7 1 1 A 45 45 ASN H H 45 9.553 9.073 0.480 1 1 407 . 7 1 1 A 45 45 ASN CA C 45 52.099 52.566 -0.467 1 1 408 . 7 1 1 A 45 45 ASN HA H 45 5.380 4.780 0.600 1 1 409 . 7 1 1 A 45 45 ASN CB C 45 39.596 37.540 2.056 1 1 414 . 7 1 1 A 45 45 ASN C C 45 176.821 174.989 1.832 1 1 416 . 7 1 1 A 46 46 THR H H 46 9.223 8.623 0.600 1 1 417 . 7 1 1 A 46 46 THR CA C 46 61.534 60.466 1.068 1 1 418 . 7 1 1 A 46 46 THR HA H 46 4.368 4.662 -0.294 1 1 419 . 7 1 1 A 46 46 THR CB C 46 68.352 68.586 -0.234 1 1 425 . 7 1 1 A 46 46 THR C C 46 176.816 174.840 1.976 1 1 426 . 7 1 1 A 47 47 THR N N 47 116.732 113.890 2.842 1 1 427 . 7 1 1 A 47 47 THR H H 47 8.368 7.599 0.769 1 1 428 . 7 1 1 A 47 47 THR CA C 47 65.916 62.879 3.037 1 1 429 . 7 1 1 A 47 47 THR HA H 47 4.032 4.469 -0.437 1 1 430 . 7 1 1 A 47 47 THR CB C 47 69.870 69.703 0.167 1 1 436 . 7 1 1 A 47 47 THR C C 47 176.865 176.368 0.497 1 1 437 . 7 1 1 A 48 48 ARG N N 48 119.205 120.633 -1.428 1 1 438 . 7 1 1 A 48 48 ARG H H 48 8.785 8.230 0.555 1 1 439 . 7 1 1 A 48 48 ARG CA C 48 56.273 57.787 -1.514 1 1 440 . 7 1 1 A 48 48 ARG HA H 48 4.488 4.178 0.310 1 1 441 . 7 1 1 A 48 48 ARG CB C 48 30.862 28.982 1.880 1 1 447 . 7 1 1 A 48 48 ARG C C 48 176.314 178.116 -1.802 1 1 451 . 7 1 1 A 49 49 ALA N N 49 120.807 121.134 -0.327 1 1 452 . 7 1 1 A 49 49 ALA H H 49 7.440 7.723 -0.283 1 1 453 . 7 1 1 A 49 49 ALA CA C 49 53.138 52.930 0.208 1 1 454 . 7 1 1 A 49 49 ALA HA H 49 4.341 4.223 0.118 1 1 455 . 7 1 1 A 49 49 ALA CB C 49 22.427 19.638 2.789 1 1 459 . 7 1 1 A 49 49 ALA C C 49 177.914 178.220 -0.306 1 1 460 . 7 1 1 A 50 50 GLY N N 50 105.941 103.207 2.734 1 1 461 . 7 1 1 A 50 50 GLY H H 50 7.924 7.575 0.349 1 1 462 . 7 1 1 A 50 50 GLY CA C 50 44.229 44.676 -0.447 1 1 463 . 7 1 1 A 50 50 GLY HA3 H 50 4.325 4.142 0.183 1 1 464 . 7 1 1 A 50 50 GLY C C 50 171.089 172.869 -1.780 1 1 465 . 7 1 1 A 50 50 GLY HA2 H 50 3.948 4.109 -0.161 1 1 466 . 7 1 1 A 51 51 PRO CA C 51 63.140 62.802 0.338 1 1 467 . 7 1 1 A 51 51 PRO HA H 51 4.588 4.806 -0.218 1 1 468 . 7 1 1 A 51 51 PRO CB C 51 33.004 30.557 2.447 1 1 477 . 7 1 1 A 52 52 GLY CA C 52 45.195 44.909 0.286 1 1 478 . 7 1 1 A 52 52 GLY HA3 H 52 3.275 4.267 -0.992 1 1 479 . 7 1 1 A 52 52 GLY HA2 H 52 3.852 4.253 -0.401 1 1 480 . 7 1 1 A 53 53 THR N N 53 114.003 116.198 -2.195 1 1 481 . 7 1 1 A 53 53 THR H H 53 8.049 8.387 -0.338 1 1 482 . 7 1 1 A 53 53 THR CA C 53 62.352 61.835 0.517 1 1 483 . 7 1 1 A 53 53 THR HA H 53 4.436 4.895 -0.459 1 1 484 . 7 1 1 A 53 53 THR CB C 53 69.631 70.263 -0.632 1 1 490 . 7 1 1 A 54 54 LEU CA C 54 53.891 52.728 1.163 1 1 491 . 7 1 1 A 54 54 LEU HA H 54 5.077 5.370 -0.293 1 1 492 . 7 1 1 A 54 54 LEU CB C 54 44.515 46.087 -1.572 1 1 503 . 7 1 1 A 55 55 SER N N 55 120.726 115.075 5.651 1 1 504 . 7 1 1 A 55 55 SER H H 55 8.783 8.609 0.174 1 1 505 . 7 1 1 A 55 55 SER CA C 55 56.249 56.813 -0.564 1 1 506 . 7 1 1 A 55 55 SER HA H 55 5.092 5.027 0.065 1 1 507 . 7 1 1 A 55 55 SER CB C 55 65.032 65.138 -0.106 1 1 509 . 7 1 1 A 55 55 SER C C 55 173.165 172.932 0.233 1 1 511 . 7 1 1 A 56 56 VAL N N 56 126.234 128.213 -1.979 1 1 512 . 7 1 1 A 56 56 VAL H H 56 8.336 9.140 -0.804 1 1 513 . 7 1 1 A 56 56 VAL CA C 56 60.515 61.255 -0.740 1 1 514 . 7 1 1 A 56 56 VAL HA H 56 5.134 4.817 0.317 1 1 515 . 7 1 1 A 56 56 VAL CB C 56 34.463 33.255 1.208 1 1 520 . 7 1 1 A 56 56 VAL C C 56 174.718 175.201 -0.483 1 1 521 . 7 1 1 A 57 57 THR N N 57 120.539 123.539 -3.000 1 1 522 . 7 1 1 A 57 57 THR H H 57 8.828 8.860 -0.032 1 1 523 . 7 1 1 A 57 57 THR CA C 57 60.580 61.738 -1.158 1 1 524 . 7 1 1 A 57 57 THR HA H 57 5.132 5.013 0.119 1 1 525 . 7 1 1 A 57 57 THR CB C 57 72.187 71.265 0.922 1 1 531 . 7 1 1 A 57 57 THR C C 57 172.970 172.913 0.057 1 1 532 . 7 1 1 A 58 58 ILE N N 58 123.949 128.024 -4.075 1 1 533 . 7 1 1 A 58 58 ILE H H 58 9.249 9.012 0.237 1 1 534 . 7 1 1 A 58 58 ILE CA C 58 61.297 59.741 1.556 1 1 535 . 7 1 1 A 58 58 ILE HA H 58 5.001 5.374 -0.373 1 1 536 . 7 1 1 A 58 58 ILE CB C 58 39.755 40.520 -0.765 1 1 548 . 7 1 1 A 58 58 ILE C C 58 174.848 174.873 -0.025 1 1 550 . 7 1 1 A 59 59 GLU N N 59 129.027 123.689 5.338 1 1 551 . 7 1 1 A 59 59 GLU H H 59 8.966 8.803 0.163 1 1 552 . 7 1 1 A 59 59 GLU CA C 59 53.911 54.223 -0.312 1 1 553 . 7 1 1 A 59 59 GLU HA H 59 5.427 4.990 0.437 1 1 554 . 7 1 1 A 59 59 GLU CB C 59 33.843 32.306 1.537 1 1 558 . 7 1 1 A 59 59 GLU C C 59 175.342 174.978 0.364 1 1 561 . 7 1 1 A 60 60 GLY N N 60 110.765 107.034 3.731 1 1 562 . 7 1 1 A 60 60 GLY H H 60 8.597 8.364 0.233 1 1 563 . 7 1 1 A 60 60 GLY CA C 60 45.997 44.013 1.984 1 1 564 . 7 1 1 A 60 60 GLY HA3 H 60 3.908 3.774 0.134 1 1 565 . 7 1 1 A 60 60 GLY C C 60 171.205 173.699 -2.494 1 1 566 . 7 1 1 A 60 60 GLY HA2 H 60 3.685 3.277 0.408 1 1 567 . 7 1 1 A 61 61 PRO CA C 61 64.057 64.362 -0.305 1 1 568 . 7 1 1 A 61 61 PRO HA H 61 4.415 4.339 0.076 1 1 569 . 7 1 1 A 61 61 PRO CB C 61 32.143 32.065 0.078 1 1 575 . 7 1 1 A 61 61 PRO C C 61 175.925 176.275 -0.350 1 1 579 . 7 1 1 A 62 62 SER N N 62 108.413 114.343 -5.930 1 1 580 . 7 1 1 A 62 62 SER H H 62 7.144 7.849 -0.705 1 1 581 . 7 1 1 A 62 62 SER CA C 62 57.037 57.924 -0.887 1 1 582 . 7 1 1 A 62 62 SER HA H 62 4.596 4.826 -0.230 1 1 583 . 7 1 1 A 62 62 SER CB C 62 66.522 65.398 1.124 1 1 585 . 7 1 1 A 62 62 SER C C 62 172.446 173.021 -0.575 1 1 587 . 7 1 1 A 63 63 LYS N N 63 122.539 125.452 -2.913 1 1 588 . 7 1 1 A 63 63 LYS H H 63 8.620 8.552 0.068 1 1 589 . 7 1 1 A 63 63 LYS CA C 63 56.407 56.440 -0.033 1 1 590 . 7 1 1 A 63 63 LYS HA H 63 4.267 4.565 -0.298 1 1 591 . 7 1 1 A 63 63 LYS CB C 63 32.576 33.251 -0.675 1 1 596 . 7 1 1 A 63 63 LYS C C 63 176.658 176.304 0.354 1 1 601 . 7 1 1 A 64 64 VAL N N 64 120.278 122.191 -1.913 1 1 602 . 7 1 1 A 64 64 VAL H H 64 8.554 8.998 -0.444 1 1 603 . 7 1 1 A 64 64 VAL CA C 64 60.425 60.510 -0.085 1 1 604 . 7 1 1 A 64 64 VAL HA H 64 4.460 4.938 -0.478 1 1 605 . 7 1 1 A 64 64 VAL CB C 64 32.938 34.397 -1.459 1 1 615 . 7 1 1 A 64 64 VAL C C 64 176.629 174.557 2.072 1 1 616 . 7 1 1 A 65 65 LYS N N 65 121.529 126.560 -5.031 1 1 617 . 7 1 1 A 65 65 LYS H H 65 8.139 8.515 -0.376 1 1 618 . 7 1 1 A 65 65 LYS CA C 65 56.181 55.788 0.393 1 1 619 . 7 1 1 A 65 65 LYS HA H 65 4.474 4.357 0.117 1 1 620 . 7 1 1 A 65 65 LYS CB C 65 32.960 31.307 1.653 1 1 627 . 7 1 1 A 65 65 LYS C C 65 176.309 175.631 0.678 1 1 632 . 7 1 1 A 66 66 MET N N 66 125.382 127.239 -1.857 1 1 633 . 7 1 1 A 66 66 MET H H 66 8.811 9.181 -0.370 1 1 634 . 7 1 1 A 66 66 MET CA C 66 55.055 56.231 -1.176 1 1 635 . 7 1 1 A 66 66 MET HA H 66 5.393 4.457 0.936 1 1 636 . 7 1 1 A 66 66 MET CB C 66 37.398 33.350 4.048 1 1 644 . 7 1 1 A 66 66 MET C C 66 174.026 175.279 -1.253 1 1 647 . 7 1 1 A 67 67 ASP N N 67 122.714 122.236 0.478 1 1 648 . 7 1 1 A 67 67 ASP H H 67 8.995 8.789 0.206 1 1 649 . 7 1 1 A 67 67 ASP CA C 67 53.231 53.410 -0.179 1 1 650 . 7 1 1 A 67 67 ASP HA H 67 4.854 5.192 -0.338 1 1 651 . 7 1 1 A 67 67 ASP CB C 67 44.980 45.104 -0.124 1 1 654 . 7 1 1 A 68 68 CYS H H 68 8.412 8.784 -0.372 1 1 655 . 7 1 1 A 68 68 CYS CA C 68 56.390 58.128 -1.738 1 1 656 . 7 1 1 A 68 68 CYS HA H 68 5.288 5.155 0.133 1 1 657 . 7 1 1 A 68 68 CYS CB C 68 28.188 28.672 -0.484 1 1 660 . 7 1 1 A 69 69 GLN N N 69 125.044 123.836 1.208 1 1 661 . 7 1 1 A 69 69 GLN H H 69 9.116 8.636 0.480 1 1 662 . 7 1 1 A 69 69 GLN CA C 69 56.403 54.322 2.081 1 1 663 . 7 1 1 A 69 69 GLN HA H 69 5.290 4.945 0.345 1 1 664 . 7 1 1 A 69 69 GLN CB C 69 32.962 32.611 0.351 1 1 671 . 7 1 1 A 70 70 GLU N N 70 125.781 128.315 -2.534 1 1 672 . 7 1 1 A 70 70 GLU H H 70 8.979 8.891 0.088 1 1 673 . 7 1 1 A 70 70 GLU CA C 70 56.418 56.490 -0.072 1 1 674 . 7 1 1 A 70 70 GLU HA H 70 4.029 4.731 -0.702 1 1 675 . 7 1 1 A 70 70 GLU CB C 70 30.585 30.839 -0.254 1 1 681 . 7 1 1 A 71 71 THR N N 71 118.158 116.539 1.619 1 1 682 . 7 1 1 A 71 71 THR H H 71 8.455 7.883 0.572 1 1 683 . 7 1 1 A 71 71 THR CA C 71 59.209 58.385 0.824 1 1 684 . 7 1 1 A 71 71 THR HA H 71 4.902 4.988 -0.086 1 1 685 . 7 1 1 A 71 71 THR CB C 71 68.926 70.295 -1.369 1 1 691 . 7 1 1 A 72 72 PRO CA C 72 65.290 64.281 1.009 1 1 692 . 7 1 1 A 72 72 PRO HA H 72 4.296 4.488 -0.192 1 1 693 . 7 1 1 A 72 72 PRO CB C 72 31.848 31.686 0.162 1 1 699 . 7 1 1 A 72 72 PRO C C 72 177.476 177.103 0.373 1 1 703 . 7 1 1 A 73 73 GLU N N 73 112.293 116.796 -4.503 1 1 704 . 7 1 1 A 73 73 GLU H H 73 7.562 8.815 -1.253 1 1 705 . 7 1 1 A 73 73 GLU CA C 73 55.577 56.421 -0.844 1 1 706 . 7 1 1 A 73 73 GLU HA H 73 4.370 4.461 -0.091 1 1 707 . 7 1 1 A 73 73 GLU CB C 73 30.787 31.470 -0.683 1 1 711 . 7 1 1 A 73 73 GLU C C 73 174.438 176.532 -2.094 1 1 714 . 7 1 1 A 74 74 GLY N N 74 109.223 106.234 2.989 1 1 715 . 7 1 1 A 74 74 GLY H H 74 7.324 7.147 0.177 1 1 716 . 7 1 1 A 74 74 GLY CA C 74 47.146 45.798 1.348 1 1 717 . 7 1 1 A 74 74 GLY HA3 H 74 3.551 4.082 -0.531 1 1 718 . 7 1 1 A 74 74 GLY C C 74 172.589 171.032 1.557 1 1 719 . 7 1 1 A 74 74 GLY HA2 H 74 4.949 3.824 1.125 1 1 720 . 7 1 1 A 75 75 TYR N N 75 123.117 120.096 3.021 1 1 721 . 7 1 1 A 75 75 TYR H H 75 8.883 8.385 0.498 1 1 722 . 7 1 1 A 75 75 TYR CA C 75 57.566 56.348 1.218 1 1 723 . 7 1 1 A 75 75 TYR HA H 75 5.171 5.158 0.013 1 1 724 . 7 1 1 A 75 75 TYR CB C 75 44.111 42.186 1.925 1 1 734 . 7 1 1 A 75 75 TYR C C 75 173.925 174.002 -0.077 1 1 736 . 7 1 1 A 76 76 LYS N N 76 124.633 124.600 0.033 1 1 737 . 7 1 1 A 76 76 LYS H H 76 9.390 8.230 1.160 1 1 738 . 7 1 1 A 76 76 LYS CA C 76 55.055 55.740 -0.685 1 1 739 . 7 1 1 A 76 76 LYS HA H 76 4.594 3.919 0.675 1 1 740 . 7 1 1 A 76 76 LYS CB C 76 35.124 32.523 2.601 1 1 748 . 7 1 1 A 76 76 LYS C C 76 174.069 175.093 -1.024 1 1 753 . 7 1 1 A 77 77 VAL N N 77 126.947 127.358 -0.411 1 1 754 . 7 1 1 A 77 77 VAL H H 77 8.607 7.972 0.635 1 1 755 . 7 1 1 A 77 77 VAL CA C 77 60.894 60.836 0.058 1 1 756 . 7 1 1 A 77 77 VAL HA H 77 4.280 4.537 -0.257 1 1 757 . 7 1 1 A 77 77 VAL CB C 77 32.115 32.938 -0.823 1 1 767 . 7 1 1 A 77 77 VAL C C 77 173.586 174.960 -1.374 1 1 768 . 7 1 1 A 78 78 MET N N 78 123.986 124.665 -0.679 1 1 769 . 7 1 1 A 78 78 MET H H 78 8.410 8.835 -0.425 1 1 770 . 7 1 1 A 78 78 MET CA C 78 53.236 54.340 -1.104 1 1 771 . 7 1 1 A 78 78 MET HA H 78 5.290 5.253 0.037 1 1 772 . 7 1 1 A 78 78 MET CB C 78 36.873 36.810 0.063 1 1 780 . 7 1 1 A 78 78 MET C C 78 174.665 174.465 0.200 1 1 783 . 7 1 1 A 79 79 TYR N N 79 117.488 118.603 -1.115 1 1 784 . 7 1 1 A 79 79 TYR H H 79 8.739 8.809 -0.070 1 1 785 . 7 1 1 A 79 79 TYR CA C 79 56.011 56.004 0.007 1 1 786 . 7 1 1 A 79 79 TYR HA H 79 5.654 5.386 0.268 1 1 787 . 7 1 1 A 79 79 TYR CB C 79 41.549 41.420 0.129 1 1 797 . 7 1 1 A 79 79 TYR C C 79 172.927 172.937 -0.010 1 1 799 . 7 1 1 A 80 80 THR H H 80 8.383 8.989 -0.606 1 1 800 . 7 1 1 A 80 80 THR CA C 80 58.611 59.155 -0.544 1 1 801 . 7 1 1 A 80 80 THR HA H 80 4.978 4.713 0.265 1 1 802 . 7 1 1 A 80 80 THR CB C 80 70.258 70.099 0.159 1 1 808 . 7 1 1 A 81 81 PRO CA C 81 61.531 62.968 -1.437 1 1 809 . 7 1 1 A 81 81 PRO HA H 81 4.532 4.647 -0.115 1 1 810 . 7 1 1 A 81 81 PRO CB C 81 32.774 32.095 0.679 1 1 819 . 7 1 1 A 82 82 MET N N 82 117.590 122.533 -4.943 1 1 820 . 7 1 1 A 82 82 MET H H 82 8.299 8.740 -0.441 1 1 821 . 7 1 1 A 82 82 MET CA C 82 53.882 56.907 -3.025 1 1 822 . 7 1 1 A 82 82 MET HA H 82 4.851 4.512 0.339 1 1 823 . 7 1 1 A 82 82 MET CB C 82 33.337 33.781 -0.444 1 1 831 . 7 1 1 A 82 82 MET C C 82 174.339 175.934 -1.595 1 1 834 . 7 1 1 A 83 83 ALA N N 83 119.196 119.814 -0.618 1 1 835 . 7 1 1 A 83 83 ALA H H 83 7.076 7.885 -0.809 1 1 836 . 7 1 1 A 83 83 ALA CA C 83 49.425 49.269 0.156 1 1 837 . 7 1 1 A 83 83 ALA HA H 83 4.791 4.743 0.048 1 1 838 . 7 1 1 A 83 83 ALA CB C 83 20.682 21.279 -0.597 1 1 842 . 7 1 1 A 83 83 ALA C C 83 174.364 175.107 -0.743 1 1 843 . 7 1 1 A 84 84 PRO CA C 84 62.540 63.196 -0.656 1 1 844 . 7 1 1 A 84 84 PRO HA H 84 4.244 4.549 -0.305 1 1 845 . 7 1 1 A 84 84 PRO CB C 84 32.615 33.120 -0.505 1 1 851 . 7 1 1 A 84 84 PRO C C 84 174.214 176.190 -1.976 1 1 855 . 7 1 1 A 85 85 GLY N N 85 105.436 108.558 -3.122 1 1 856 . 7 1 1 A 85 85 GLY H H 85 8.855 8.349 0.506 1 1 857 . 7 1 1 A 85 85 GLY CA C 85 44.156 44.746 -0.590 1 1 858 . 7 1 1 A 85 85 GLY HA3 H 85 3.761 4.239 -0.478 1 1 859 . 7 1 1 A 85 85 GLY C C 85 171.801 172.064 -0.263 1 1 860 . 7 1 1 A 85 85 GLY HA2 H 85 4.515 4.212 0.303 1 1 861 . 7 1 1 A 86 86 ASN N N 86 119.042 118.912 0.130 1 1 862 . 7 1 1 A 86 86 ASN H H 86 8.573 8.548 0.025 1 1 863 . 7 1 1 A 86 86 ASN CA C 86 52.499 51.733 0.766 1 1 864 . 7 1 1 A 86 86 ASN HA H 86 5.517 5.762 -0.245 1 1 865 . 7 1 1 A 86 86 ASN CB C 86 39.390 40.851 -1.461 1 1 870 . 7 1 1 A 86 86 ASN C C 86 174.453 173.351 1.102 1 1 872 . 7 1 1 A 87 87 TYR N N 87 122.992 121.733 1.259 1 1 873 . 7 1 1 A 87 87 TYR H H 87 9.369 8.954 0.415 1 1 874 . 7 1 1 A 87 87 TYR CA C 87 56.366 56.514 -0.148 1 1 875 . 7 1 1 A 87 87 TYR HA H 87 5.140 5.376 -0.236 1 1 876 . 7 1 1 A 87 87 TYR CB C 87 40.267 42.511 -2.244 1 1 886 . 7 1 1 A 87 87 TYR C C 87 174.332 174.642 -0.310 1 1 888 . 7 1 1 A 88 88 LEU N N 88 124.720 120.787 3.933 1 1 889 . 7 1 1 A 88 88 LEU H H 88 9.306 8.793 0.513 1 1 890 . 7 1 1 A 88 88 LEU CA C 88 53.426 53.574 -0.148 1 1 891 . 7 1 1 A 88 88 LEU HA H 88 5.253 5.176 0.077 1 1 892 . 7 1 1 A 88 88 LEU CB C 88 44.487 46.517 -2.030 1 1 904 . 7 1 1 A 88 88 LEU C C 88 177.074 174.616 2.458 1 1 906 . 7 1 1 A 89 89 ILE N N 89 130.469 125.642 4.827 1 1 907 . 7 1 1 A 89 89 ILE H H 89 9.807 8.738 1.069 1 1 908 . 7 1 1 A 89 89 ILE CA C 89 60.792 60.528 0.264 1 1 909 . 7 1 1 A 89 89 ILE HA H 89 4.851 4.798 0.053 1 1 910 . 7 1 1 A 89 89 ILE CB C 89 39.662 40.515 -0.853 1 1 922 . 7 1 1 A 89 89 ILE C C 89 175.605 175.148 0.457 1 1 924 . 7 1 1 A 90 90 SER N N 90 123.845 124.884 -1.039 1 1 925 . 7 1 1 A 90 90 SER H H 90 9.540 9.257 0.283 1 1 926 . 7 1 1 A 90 90 SER CA C 90 58.036 57.942 0.094 1 1 927 . 7 1 1 A 90 90 SER HA H 90 5.199 5.172 0.027 1 1 928 . 7 1 1 A 90 90 SER CB C 90 64.133 64.716 -0.583 1 1 930 . 7 1 1 A 90 90 SER C C 90 173.566 173.615 -0.049 1 1 932 . 7 1 1 A 91 91 VAL N N 91 128.427 126.622 1.805 1 1 933 . 7 1 1 A 91 91 VAL H H 91 9.918 8.984 0.934 1 1 934 . 7 1 1 A 91 91 VAL CA C 91 61.447 61.545 -0.098 1 1 935 . 7 1 1 A 91 91 VAL HA H 91 4.837 4.736 0.101 1 1 936 . 7 1 1 A 91 91 VAL CB C 91 33.761 34.181 -0.420 1 1 946 . 7 1 1 A 91 91 VAL C C 91 173.296 174.854 -1.558 1 1 947 . 7 1 1 A 92 92 LYS N N 92 125.779 126.758 -0.979 1 1 948 . 7 1 1 A 92 92 LYS H H 92 8.892 8.609 0.283 1 1 949 . 7 1 1 A 92 92 LYS CA C 92 54.468 54.747 -0.279 1 1 950 . 7 1 1 A 92 92 LYS HA H 92 5.065 5.109 -0.044 1 1 951 . 7 1 1 A 92 92 LYS CB C 92 36.106 35.314 0.792 1 1 959 . 7 1 1 A 92 92 LYS C C 92 175.189 175.417 -0.228 1 1 964 . 7 1 1 A 93 93 TYR N N 93 120.251 124.335 -4.084 1 1 965 . 7 1 1 A 93 93 TYR H H 93 8.061 8.582 -0.521 1 1 966 . 7 1 1 A 93 93 TYR CA C 93 56.884 57.552 -0.668 1 1 967 . 7 1 1 A 93 93 TYR HA H 93 5.522 4.885 0.637 1 1 968 . 7 1 1 A 93 93 TYR CB C 93 44.120 41.290 2.830 1 1 978 . 7 1 1 A 93 93 TYR C C 93 175.517 175.411 0.106 1 1 980 . 7 1 1 A 94 94 GLY N N 94 114.148 114.435 -0.287 1 1 981 . 7 1 1 A 94 94 GLY H H 94 8.274 8.723 -0.449 1 1 982 . 7 1 1 A 94 94 GLY CA C 94 45.959 46.877 -0.918 1 1 983 . 7 1 1 A 94 94 GLY HA3 H 94 3.705 3.653 0.052 1 1 984 . 7 1 1 A 94 94 GLY C C 94 173.595 174.219 -0.624 1 1 985 . 7 1 1 A 94 94 GLY HA2 H 94 3.877 3.646 0.231 1 1 986 . 7 1 1 A 95 95 GLY N N 95 107.010 108.768 -1.758 1 1 987 . 7 1 1 A 95 95 GLY H H 95 7.452 8.348 -0.896 1 1 988 . 7 1 1 A 95 95 GLY CA C 95 43.954 44.594 -0.640 1 1 989 . 7 1 1 A 95 95 GLY HA3 H 95 3.618 4.060 -0.442 1 1 990 . 7 1 1 A 95 95 GLY C C 95 172.825 173.893 -1.068 1 1 991 . 7 1 1 A 95 95 GLY HA2 H 95 4.507 4.048 0.459 1 1 992 . 7 1 1 A 96 96 PRO CA C 96 63.221 63.627 -0.406 1 1 993 . 7 1 1 A 96 96 PRO HA H 96 4.413 4.532 -0.119 1 1 994 . 7 1 1 A 96 96 PRO CB C 96 30.955 31.837 -0.882 1 1 1000 . 7 1 1 A 96 96 PRO C C 96 175.901 176.338 -0.437 1 1 1004 . 7 1 1 A 97 97 ASN N N 97 119.942 118.527 1.415 1 1 1005 . 7 1 1 A 97 97 ASN H H 97 8.172 8.126 0.046 1 1 1006 . 7 1 1 A 97 97 ASN CA C 97 52.914 53.268 -0.354 1 1 1007 . 7 1 1 A 97 97 ASN HA H 97 4.864 4.836 0.028 1 1 1008 . 7 1 1 A 97 97 ASN CB C 97 39.806 39.206 0.600 1 1 1013 . 7 1 1 A 97 97 ASN C C 97 174.285 175.311 -1.026 1 1 1015 . 7 1 1 A 98 98 HIS N N 98 121.803 122.599 -0.796 1 1 1016 . 7 1 1 A 98 98 HIS H H 98 8.456 9.045 -0.589 1 1 1017 . 7 1 1 A 98 98 HIS CA C 98 58.023 55.286 2.737 1 1 1018 . 7 1 1 A 98 98 HIS HA H 98 4.475 4.870 -0.395 1 1 1019 . 7 1 1 A 98 98 HIS CB C 98 33.382 31.127 2.255 1 1 1025 . 7 1 1 A 98 98 HIS C C 98 177.938 175.330 2.608 1 1 1027 . 7 1 1 A 99 99 ILE N N 99 115.599 114.135 1.464 1 1 1028 . 7 1 1 A 99 99 ILE H H 99 8.237 7.770 0.467 1 1 1029 . 7 1 1 A 99 99 ILE CA C 99 60.895 58.931 1.964 1 1 1030 . 7 1 1 A 99 99 ILE HA H 99 4.545 4.454 0.091 1 1 1031 . 7 1 1 A 99 99 ILE CB C 99 38.675 39.823 -1.148 1 1 1043 . 7 1 1 A 99 99 ILE C C 99 176.165 175.908 0.257 1 1 1045 . 7 1 1 A 100 100 VAL H H 100 8.389 8.280 0.109 1 1 1046 . 7 1 1 A 100 100 VAL CA C 100 65.835 64.744 1.091 1 1 1047 . 7 1 1 A 100 100 VAL HA H 100 3.673 3.554 0.119 1 1 1048 . 7 1 1 A 100 100 VAL CB C 100 31.169 31.640 -0.471 1 1 1058 . 7 1 1 A 101 101 GLY N N 101 116.014 115.412 0.602 1 1 1059 . 7 1 1 A 101 101 GLY H H 101 8.297 8.790 -0.493 1 1 1060 . 7 1 1 A 101 101 GLY CA C 101 44.626 45.184 -0.558 1 1 1061 . 7 1 1 A 101 101 GLY HA3 H 101 3.227 4.002 -0.775 1 1 1062 . 7 1 1 A 101 101 GLY C C 101 171.863 174.038 -2.175 1 1 1063 . 7 1 1 A 101 101 GLY HA2 H 101 4.207 3.954 0.253 1 1 1064 . 7 1 1 A 102 102 SER N N 102 111.977 116.791 -4.814 1 1 1065 . 7 1 1 A 102 102 SER H H 102 7.304 7.514 -0.210 1 1 1066 . 7 1 1 A 102 102 SER CA C 102 54.570 56.858 -2.288 1 1 1067 . 7 1 1 A 102 102 SER HA H 102 3.915 3.606 0.309 1 1 1068 . 7 1 1 A 102 102 SER CB C 102 62.569 63.135 -0.566 1 1 1071 . 7 1 1 A 103 103 PRO CA C 103 62.215 62.196 0.019 1 1 1072 . 7 1 1 A 103 103 PRO HA H 103 5.475 4.432 1.043 1 1 1073 . 7 1 1 A 103 103 PRO CB C 103 33.552 32.108 1.444 1 1 1079 . 7 1 1 A 103 103 PRO C C 103 175.646 175.286 0.360 1 1 1083 . 7 1 1 A 104 104 PHE N N 104 123.291 120.929 2.362 1 1 1084 . 7 1 1 A 104 104 PHE H H 104 9.465 8.263 1.202 1 1 1085 . 7 1 1 A 104 104 PHE CA C 104 57.015 57.387 -0.372 1 1 1086 . 7 1 1 A 104 104 PHE HA H 104 4.531 4.931 -0.400 1 1 1087 . 7 1 1 A 104 104 PHE CB C 104 40.607 40.687 -0.080 1 1 1099 . 7 1 1 A 104 104 PHE C C 104 175.305 175.004 0.301 1 1 1101 . 7 1 1 A 105 105 LYS N N 105 123.989 124.080 -0.091 1 1 1102 . 7 1 1 A 105 105 LYS H H 105 8.712 8.991 -0.279 1 1 1103 . 7 1 1 A 105 105 LYS CA C 105 55.868 55.382 0.486 1 1 1104 . 7 1 1 A 105 105 LYS HA H 105 4.913 4.842 0.071 1 1 1105 . 7 1 1 A 105 105 LYS CB C 105 32.762 33.481 -0.719 1 1 1113 . 7 1 1 A 105 105 LYS C C 105 174.065 175.496 -1.431 1 1 1118 . 7 1 1 A 106 106 ALA N N 106 129.654 128.740 0.914 1 1 1119 . 7 1 1 A 106 106 ALA H H 106 8.964 8.977 -0.013 1 1 1120 . 7 1 1 A 106 106 ALA CA C 106 50.325 50.188 0.137 1 1 1121 . 7 1 1 A 106 106 ALA HA H 106 4.497 5.185 -0.688 1 1 1122 . 7 1 1 A 106 106 ALA CB C 106 20.496 22.561 -2.065 1 1 1126 . 7 1 1 A 106 106 ALA C C 106 176.111 175.564 0.547 1 1 1127 . 7 1 1 A 107 107 LYS N N 107 124.155 121.791 2.364 1 1 1128 . 7 1 1 A 107 107 LYS H H 107 7.955 8.800 -0.845 1 1 1129 . 7 1 1 A 107 107 LYS CA C 107 55.904 54.727 1.177 1 1 1130 . 7 1 1 A 107 107 LYS HA H 107 4.950 5.166 -0.216 1 1 1131 . 7 1 1 A 107 107 LYS CB C 107 33.755 35.552 -1.797 1 1 1139 . 7 1 1 A 107 107 LYS C C 107 175.350 174.935 0.415 1 1 1144 . 7 1 1 A 108 108 VAL N N 108 128.726 127.844 0.882 1 1 1145 . 7 1 1 A 108 108 VAL H H 108 9.373 9.257 0.116 1 1 1146 . 7 1 1 A 108 108 VAL CA C 108 60.804 61.899 -1.095 1 1 1147 . 7 1 1 A 108 108 VAL HA H 108 4.851 4.875 -0.024 1 1 1148 . 7 1 1 A 108 108 VAL CB C 108 33.175 32.492 0.683 1 1 1158 . 7 1 1 A 108 108 VAL C C 108 177.017 175.507 1.510 1 1 1159 . 7 1 1 A 109 109 THR N N 109 121.067 117.324 3.743 1 1 1160 . 7 1 1 A 109 109 THR H H 109 8.527 8.522 0.005 1 1 1161 . 7 1 1 A 109 109 THR CA C 109 60.138 59.797 0.341 1 1 1162 . 7 1 1 A 109 109 THR HA H 109 4.864 5.036 -0.172 1 1 1163 . 7 1 1 A 109 109 THR CB C 109 70.960 71.553 -0.593 1 1 1169 . 7 1 1 A 109 109 THR C C 109 173.130 173.090 0.040 1 1 1170 . 7 1 1 A 110 110 GLY N N 110 106.893 108.494 -1.601 1 1 1171 . 7 1 1 A 110 110 GLY H H 110 8.404 8.439 -0.035 1 1 1172 . 7 1 1 A 110 110 GLY CA C 110 43.888 44.361 -0.473 1 1 1173 . 7 1 1 A 110 110 GLY HA3 H 110 3.851 4.198 -0.347 1 1 1174 . 7 1 1 A 110 110 GLY C C 110 173.870 173.441 0.429 1 1 1175 . 7 1 1 A 110 110 GLY HA2 H 110 4.773 4.197 0.576 1 1 1176 . 7 1 1 A 111 111 GLN N N 111 116.999 119.350 -2.351 1 1 1177 . 7 1 1 A 111 111 GLN H H 111 8.234 8.317 -0.083 1 1 1178 . 7 1 1 A 111 111 GLN CA C 111 55.230 56.122 -0.892 1 1 1179 . 7 1 1 A 111 111 GLN HA H 111 4.269 4.276 -0.007 1 1 1180 . 7 1 1 A 111 111 GLN CB C 111 30.118 28.903 1.215 1 1 1187 . 7 1 1 A 111 111 GLN C C 111 176.550 175.801 0.749 1 1 1190 . 7 1 1 A 112 112 ARG N N 112 122.131 121.385 0.746 1 1 1191 . 7 1 1 A 112 112 ARG H H 112 8.832 8.483 0.349 1 1 1192 . 7 1 1 A 112 112 ARG CA C 112 57.384 56.257 1.127 1 1 1193 . 7 1 1 A 112 112 ARG HA H 112 4.300 4.204 0.096 1 1 1194 . 7 1 1 A 112 112 ARG CB C 112 30.059 30.460 -0.401 1 1 1200 . 7 1 1 A 112 112 ARG C C 112 175.836 175.790 0.046 1 1 1204 . 7 1 1 A 113 113 LEU N N 113 126.764 125.224 1.540 1 1 1205 . 7 1 1 A 113 113 LEU H H 113 8.424 8.442 -0.018 1 1 1206 . 7 1 1 A 113 113 LEU CA C 113 54.919 53.522 1.397 1 1 1207 . 7 1 1 A 113 113 LEU HA H 113 4.517 4.852 -0.335 1 1 1208 . 7 1 1 A 113 113 LEU CB C 113 42.706 42.496 0.210 1 1 1220 . 7 1 1 A 113 113 LEU C C 113 176.521 176.892 -0.371 1 1 1222 . 7 1 1 A 116 116 PRO CA C 116 63.729 64.434 -0.705 1 1 1223 . 7 1 1 A 116 116 PRO HA H 116 4.436 4.483 -0.047 1 1 1224 . 7 1 1 A 116 116 PRO CB C 116 32.182 31.993 0.189 1 1 1233 . 7 1 1 A 117 117 GLY N N 117 110.092 108.991 1.101 1 1 1234 . 7 1 1 A 117 117 GLY H H 117 8.493 7.917 0.576 1 1 1235 . 7 1 1 A 118 118 SER CA C 118 58.420 60.086 -1.666 1 1 1236 . 7 1 1 A 118 118 SER HA H 118 4.454 4.292 0.162 1 1 1237 . 7 1 1 A 118 118 SER CB C 118 64.014 63.240 0.774 1 1 1239 . 7 1 1 A 118 118 SER C C 118 174.495 174.252 0.243 1 1 1241 . 7 1 1 A 119 119 ALA N N 119 125.244 129.044 -3.800 1 1 1242 . 7 1 1 A 119 119 ALA H H 119 8.365 8.360 0.005 1 1 1243 . 7 1 1 A 119 119 ALA CA C 119 52.697 52.292 0.405 1 1 1244 . 7 1 1 A 119 119 ALA HA H 119 4.333 4.430 -0.097 1 1 1245 . 7 1 1 A 119 119 ALA CB C 119 19.378 18.724 0.654 1 1 1249 . 7 1 1 A 119 119 ALA C C 119 177.362 176.454 0.908 1 1 1250 . 7 1 1 A 120 120 ASN N N 120 117.122 122.406 -5.284 1 1 1251 . 7 1 1 A 120 120 ASN H H 120 8.311 8.988 -0.677 1 1 1252 . 7 1 1 A 120 120 ASN CA C 120 53.198 51.881 1.317 1 1 1253 . 7 1 1 A 120 120 ASN HA H 120 4.659 5.401 -0.742 1 1 1254 . 7 1 1 A 120 120 ASN CB C 120 38.852 42.475 -3.623 1 1 1259 . 7 1 1 A 120 120 ASN C C 120 175.112 173.357 1.755 1 1 1261 . 7 1 1 A 122 122 THR CA C 122 61.947 63.142 -1.195 1 1 1262 . 7 1 1 A 122 122 THR HA H 122 4.197 4.311 -0.114 1 1 1263 . 7 1 1 A 122 122 THR CB C 122 69.949 69.152 0.797 1 1 1 . 8 1 1 A 9 9 LYS N N 9 120.806 121.791 -0.985 1 1 2 . 8 1 1 A 9 9 LYS H H 9 8.548 8.501 0.047 1 1 3 . 8 1 1 A 9 9 LYS CA C 9 56.358 57.492 -1.134 1 1 4 . 8 1 1 A 9 9 LYS HA H 9 4.261 4.169 0.092 1 1 5 . 8 1 1 A 9 9 LYS CB C 9 32.673 33.222 -0.549 1 1 17 . 8 1 1 A 10 10 VAL HA H 10 4.307 4.174 0.133 1 1 18 . 8 1 1 A 10 10 VAL CB C 10 34.845 32.385 2.460 1 1 24 . 8 1 1 A 11 11 ARG N N 11 125.757 126.786 -1.029 1 1 25 . 8 1 1 A 11 11 ARG H H 11 8.546 8.400 0.146 1 1 26 . 8 1 1 A 11 11 ARG CA C 11 55.966 56.386 -0.420 1 1 27 . 8 1 1 A 11 11 ARG HA H 11 4.463 4.189 0.274 1 1 28 . 8 1 1 A 11 11 ARG CB C 11 30.834 30.591 0.243 1 1 37 . 8 1 1 A 12 12 VAL CA C 12 62.370 60.230 2.140 1 1 38 . 8 1 1 A 12 12 VAL HA H 12 4.205 4.569 -0.364 1 1 39 . 8 1 1 A 12 12 VAL CB C 12 32.571 34.459 -1.888 1 1 48 . 8 1 1 A 13 13 GLY N N 13 113.294 115.981 -2.687 1 1 49 . 8 1 1 A 13 13 GLY H H 13 8.608 8.686 -0.078 1 1 50 . 8 1 1 A 13 13 GLY CA C 13 44.973 44.754 0.219 1 1 51 . 8 1 1 A 13 13 GLY HA3 H 13 4.024 4.084 -0.060 1 1 52 . 8 1 1 A 13 13 GLY HA2 H 13 3.891 4.083 -0.192 1 1 53 . 8 1 1 A 14 14 GLU N N 14 120.644 120.795 -0.151 1 1 54 . 8 1 1 A 14 14 GLU H H 14 8.139 8.565 -0.426 1 1 55 . 8 1 1 A 14 14 GLU CA C 14 54.101 55.209 -1.108 1 1 56 . 8 1 1 A 14 14 GLU HA H 14 4.626 4.513 0.113 1 1 57 . 8 1 1 A 14 14 GLU CB C 14 30.026 28.815 1.211 1 1 63 . 8 1 1 A 15 15 PRO CA C 15 63.731 62.958 0.773 1 1 64 . 8 1 1 A 15 15 PRO HA H 15 4.319 4.578 -0.259 1 1 65 . 8 1 1 A 15 15 PRO CB C 15 31.974 32.419 -0.445 1 1 71 . 8 1 1 A 15 15 PRO C C 15 177.450 177.461 -0.011 1 1 75 . 8 1 1 A 16 16 GLY N N 16 109.768 108.264 1.504 1 1 76 . 8 1 1 A 16 16 GLY H H 16 8.577 8.560 0.017 1 1 77 . 8 1 1 A 16 16 GLY CA C 16 45.424 45.156 0.268 1 1 78 . 8 1 1 A 16 16 GLY HA3 H 16 3.804 3.952 -0.148 1 1 79 . 8 1 1 A 16 16 GLY C C 16 174.160 172.310 1.850 1 1 80 . 8 1 1 A 16 16 GLY HA2 H 16 4.086 3.945 0.141 1 1 81 . 8 1 1 A 17 17 GLN N N 17 119.726 121.912 -2.186 1 1 82 . 8 1 1 A 17 17 GLN H H 17 7.868 8.509 -0.641 1 1 83 . 8 1 1 A 17 17 GLN CA C 17 55.403 54.628 0.775 1 1 84 . 8 1 1 A 17 17 GLN HA H 17 4.389 4.471 -0.082 1 1 85 . 8 1 1 A 17 17 GLN CB C 17 29.894 29.315 0.579 1 1 92 . 8 1 1 A 17 17 GLN C C 17 175.290 175.448 -0.158 1 1 95 . 8 1 1 A 18 18 ALA N N 18 125.593 127.759 -2.166 1 1 96 . 8 1 1 A 18 18 ALA H H 18 8.469 8.748 -0.279 1 1 97 . 8 1 1 A 18 18 ALA CA C 18 52.389 53.316 -0.927 1 1 98 . 8 1 1 A 18 18 ALA HA H 18 4.448 3.889 0.559 1 1 99 . 8 1 1 A 18 18 ALA CB C 18 19.959 17.623 2.336 1 1 103 . 8 1 1 A 18 18 ALA C C 18 177.464 176.259 1.205 1 1 104 . 8 1 1 A 19 19 GLY N N 19 109.162 105.218 3.944 1 1 105 . 8 1 1 A 19 19 GLY H H 19 8.294 8.000 0.294 1 1 106 . 8 1 1 A 19 19 GLY CA C 19 45.270 45.031 0.239 1 1 107 . 8 1 1 A 19 19 GLY HA3 H 19 3.853 4.395 -0.542 1 1 108 . 8 1 1 A 19 19 GLY C C 19 173.012 172.064 0.948 1 1 109 . 8 1 1 A 19 19 GLY HA2 H 19 4.207 4.339 -0.132 1 1 110 . 8 1 1 A 20 20 ASN N N 20 118.861 123.385 -4.524 1 1 111 . 8 1 1 A 20 20 ASN H H 20 8.479 8.739 -0.260 1 1 112 . 8 1 1 A 20 20 ASN CA C 20 50.128 49.472 0.656 1 1 113 . 8 1 1 A 20 20 ASN HA H 20 5.236 5.245 -0.009 1 1 114 . 8 1 1 A 20 20 ASN CB C 20 39.697 40.147 -0.450 1 1 119 . 8 1 1 A 20 20 ASN C C 20 174.482 174.114 0.368 1 1 121 . 8 1 1 A 21 21 PRO CA C 21 64.588 64.331 0.257 1 1 122 . 8 1 1 A 21 21 PRO HA H 21 4.312 4.068 0.244 1 1 123 . 8 1 1 A 21 21 PRO CB C 21 31.950 31.913 0.037 1 1 129 . 8 1 1 A 21 21 PRO C C 21 177.141 177.646 -0.505 1 1 133 . 8 1 1 A 22 22 ALA N N 22 118.898 119.072 -0.174 1 1 134 . 8 1 1 A 22 22 ALA H H 22 7.918 7.633 0.285 1 1 135 . 8 1 1 A 22 22 ALA CA C 22 53.499 55.145 -1.646 1 1 136 . 8 1 1 A 22 22 ALA HA H 22 4.386 4.016 0.370 1 1 137 . 8 1 1 A 22 22 ALA CB C 22 18.288 18.399 -0.111 1 1 141 . 8 1 1 A 22 22 ALA C C 22 178.115 180.576 -2.461 1 1 142 . 8 1 1 A 23 23 LEU N N 23 116.219 117.359 -1.140 1 1 143 . 8 1 1 A 23 23 LEU H H 23 7.696 7.792 -0.096 1 1 144 . 8 1 1 A 23 23 LEU CA C 23 53.851 57.855 -4.004 1 1 145 . 8 1 1 A 23 23 LEU HA H 23 4.475 4.032 0.443 1 1 146 . 8 1 1 A 23 23 LEU CB C 23 41.958 42.039 -0.081 1 1 158 . 8 1 1 A 23 23 LEU C C 23 176.653 178.001 -1.348 1 1 160 . 8 1 1 A 24 24 VAL N N 24 122.233 119.478 2.755 1 1 161 . 8 1 1 A 24 24 VAL H H 24 7.207 7.525 -0.318 1 1 162 . 8 1 1 A 24 24 VAL CA C 24 62.768 63.420 -0.652 1 1 163 . 8 1 1 A 24 24 VAL HA H 24 4.081 3.957 0.124 1 1 164 . 8 1 1 A 24 24 VAL CB C 24 32.408 31.673 0.735 1 1 174 . 8 1 1 A 24 24 VAL C C 24 174.702 175.510 -0.808 1 1 175 . 8 1 1 A 25 25 SER N N 25 120.181 122.524 -2.343 1 1 176 . 8 1 1 A 25 25 SER H H 25 8.109 8.899 -0.790 1 1 177 . 8 1 1 A 25 25 SER CA C 25 56.489 56.140 0.349 1 1 178 . 8 1 1 A 25 25 SER HA H 25 5.159 5.237 -0.078 1 1 179 . 8 1 1 A 25 25 SER CB C 25 66.443 67.226 -0.783 1 1 181 . 8 1 1 A 25 25 SER C C 25 172.102 172.645 -0.543 1 1 183 . 8 1 1 A 26 26 ALA N N 26 124.850 124.325 0.525 1 1 184 . 8 1 1 A 26 26 ALA H H 26 8.839 8.808 0.031 1 1 185 . 8 1 1 A 26 26 ALA CA C 26 50.395 50.748 -0.353 1 1 186 . 8 1 1 A 26 26 ALA HA H 26 5.796 5.082 0.714 1 1 187 . 8 1 1 A 26 26 ALA CB C 26 22.868 22.750 0.118 1 1 191 . 8 1 1 A 26 26 ALA C C 26 175.694 175.241 0.453 1 1 192 . 8 1 1 A 27 27 TYR N N 27 117.541 117.285 0.256 1 1 193 . 8 1 1 A 27 27 TYR H H 27 8.831 8.582 0.249 1 1 194 . 8 1 1 A 27 27 TYR CA C 27 56.610 55.900 0.710 1 1 195 . 8 1 1 A 27 27 TYR HA H 27 4.851 5.326 -0.475 1 1 196 . 8 1 1 A 27 27 TYR CB C 27 39.737 41.492 -1.755 1 1 206 . 8 1 1 A 27 27 TYR C C 27 173.299 173.956 -0.657 1 1 208 . 8 1 1 A 28 28 GLY N N 28 108.355 106.789 1.566 1 1 209 . 8 1 1 A 28 28 GLY H H 28 8.788 8.534 0.254 1 1 210 . 8 1 1 A 28 28 GLY CA C 28 44.056 45.626 -1.570 1 1 211 . 8 1 1 A 28 28 GLY HA3 H 28 4.304 4.401 -0.097 1 1 212 . 8 1 1 A 28 28 GLY C C 28 176.208 173.920 2.288 1 1 213 . 8 1 1 A 28 28 GLY HA2 H 28 5.047 4.300 0.747 1 1 214 . 8 1 1 A 29 29 THR N N 29 115.659 114.436 1.223 1 1 215 . 8 1 1 A 29 29 THR H H 29 9.027 7.889 1.138 1 1 216 . 8 1 1 A 29 29 THR CA C 29 65.419 63.383 2.036 1 1 217 . 8 1 1 A 29 29 THR HA H 29 4.171 4.397 -0.226 1 1 218 . 8 1 1 A 29 29 THR CB C 29 68.659 69.785 -1.126 1 1 224 . 8 1 1 A 29 29 THR C C 29 178.141 176.801 1.340 1 1 225 . 8 1 1 A 30 30 GLY N N 30 107.400 108.442 -1.042 1 1 226 . 8 1 1 A 30 30 GLY H H 30 8.747 8.573 0.174 1 1 227 . 8 1 1 A 30 30 GLY CA C 30 46.719 47.176 -0.457 1 1 228 . 8 1 1 A 30 30 GLY HA3 H 30 3.556 3.662 -0.106 1 1 229 . 8 1 1 A 30 30 GLY C C 30 173.896 175.413 -1.517 1 1 230 . 8 1 1 A 30 30 GLY HA2 H 30 4.483 3.594 0.889 1 1 231 . 8 1 1 A 31 31 LEU N N 31 118.075 122.610 -4.535 1 1 232 . 8 1 1 A 31 31 LEU H H 31 7.389 8.240 -0.851 1 1 233 . 8 1 1 A 31 31 LEU CA C 31 55.799 57.559 -1.760 1 1 234 . 8 1 1 A 31 31 LEU HA H 31 3.778 4.026 -0.248 1 1 235 . 8 1 1 A 31 31 LEU CB C 31 41.564 41.159 0.405 1 1 247 . 8 1 1 A 31 31 LEU C C 31 176.045 179.071 -3.026 1 1 249 . 8 1 1 A 32 32 GLU N N 32 112.872 118.490 -5.618 1 1 250 . 8 1 1 A 32 32 GLU H H 32 7.509 8.036 -0.527 1 1 251 . 8 1 1 A 32 32 GLU CA C 32 56.330 58.756 -2.426 1 1 252 . 8 1 1 A 32 32 GLU HA H 32 4.717 4.070 0.647 1 1 253 . 8 1 1 A 32 32 GLU CB C 32 31.924 30.111 1.813 1 1 257 . 8 1 1 A 32 32 GLU C C 32 177.958 176.735 1.223 1 1 260 . 8 1 1 A 33 33 GLY N N 33 107.880 104.450 3.430 1 1 261 . 8 1 1 A 33 33 GLY H H 33 7.822 6.965 0.857 1 1 262 . 8 1 1 A 33 33 GLY CA C 33 45.568 45.659 -0.091 1 1 263 . 8 1 1 A 33 33 GLY HA3 H 33 4.125 4.142 -0.017 1 1 264 . 8 1 1 A 33 33 GLY C C 33 172.046 172.023 0.023 1 1 265 . 8 1 1 A 33 33 GLY HA2 H 33 4.661 4.129 0.532 1 1 266 . 8 1 1 A 34 34 GLY N N 34 105.841 109.134 -3.293 1 1 267 . 8 1 1 A 34 34 GLY H H 34 7.740 8.476 -0.736 1 1 268 . 8 1 1 A 34 34 GLY CA C 34 45.215 45.177 0.038 1 1 269 . 8 1 1 A 34 34 GLY HA3 H 34 3.988 4.217 -0.229 1 1 270 . 8 1 1 A 34 34 GLY C C 34 171.280 172.937 -1.657 1 1 271 . 8 1 1 A 34 34 GLY HA2 H 34 4.030 4.185 -0.155 1 1 272 . 8 1 1 A 35 35 THR N N 35 119.173 116.650 2.523 1 1 273 . 8 1 1 A 35 35 THR H H 35 9.363 8.754 0.609 1 1 274 . 8 1 1 A 35 35 THR CA C 35 60.844 60.766 0.078 1 1 275 . 8 1 1 A 35 35 THR HA H 35 5.177 5.017 0.160 1 1 276 . 8 1 1 A 35 35 THR CB C 35 72.095 70.070 2.025 1 1 282 . 8 1 1 A 35 35 THR C C 35 173.460 173.515 -0.055 1 1 283 . 8 1 1 A 36 36 THR N N 36 116.864 121.927 -5.063 1 1 284 . 8 1 1 A 36 36 THR H H 36 8.425 8.655 -0.230 1 1 285 . 8 1 1 A 36 36 THR CA C 36 62.841 64.309 -1.468 1 1 286 . 8 1 1 A 36 36 THR HA H 36 3.701 4.521 -0.820 1 1 287 . 8 1 1 A 36 36 THR CB C 36 68.447 67.878 0.569 1 1 293 . 8 1 1 A 36 36 THR C C 36 175.396 175.537 -0.141 1 1 294 . 8 1 1 A 37 37 GLY N N 37 107.461 114.181 -6.720 1 1 295 . 8 1 1 A 37 37 GLY H H 37 8.548 8.705 -0.157 1 1 296 . 8 1 1 A 37 37 GLY CA C 37 45.434 45.136 0.298 1 1 297 . 8 1 1 A 37 37 GLY HA3 H 37 3.386 3.992 -0.606 1 1 298 . 8 1 1 A 37 37 GLY C C 37 172.598 174.295 -1.697 1 1 299 . 8 1 1 A 37 37 GLY HA2 H 37 4.024 3.991 0.033 1 1 300 . 8 1 1 A 38 38 ILE N N 38 122.313 121.931 0.382 1 1 301 . 8 1 1 A 38 38 ILE H H 38 7.871 7.988 -0.117 1 1 302 . 8 1 1 A 38 38 ILE CA C 38 58.566 59.972 -1.406 1 1 303 . 8 1 1 A 38 38 ILE HA H 38 4.274 4.394 -0.120 1 1 304 . 8 1 1 A 38 38 ILE CB C 38 38.476 39.256 -0.780 1 1 316 . 8 1 1 A 38 38 ILE C C 38 175.081 174.678 0.403 1 1 318 . 8 1 1 A 39 39 GLN N N 39 127.942 126.381 1.561 1 1 319 . 8 1 1 A 39 39 GLN H H 39 8.487 8.642 -0.155 1 1 320 . 8 1 1 A 39 39 GLN CA C 39 57.394 53.992 3.402 1 1 321 . 8 1 1 A 39 39 GLN HA H 39 4.312 5.161 -0.849 1 1 322 . 8 1 1 A 39 39 GLN CB C 39 31.057 31.039 0.018 1 1 329 . 8 1 1 A 39 39 GLN C C 39 176.011 174.599 1.412 1 1 332 . 8 1 1 A 40 40 SER N N 40 125.784 124.010 1.774 1 1 333 . 8 1 1 A 40 40 SER H H 40 9.167 8.739 0.428 1 1 334 . 8 1 1 A 40 40 SER CA C 40 58.188 57.153 1.035 1 1 335 . 8 1 1 A 40 40 SER HA H 40 4.633 5.170 -0.537 1 1 336 . 8 1 1 A 40 40 SER CB C 40 66.149 65.693 0.456 1 1 338 . 8 1 1 A 40 40 SER C C 40 172.625 173.060 -0.435 1 1 340 . 8 1 1 A 41 41 GLU N N 41 117.679 119.288 -1.609 1 1 341 . 8 1 1 A 41 41 GLU H H 41 8.773 9.070 -0.297 1 1 342 . 8 1 1 A 41 41 GLU CA C 41 54.060 54.449 -0.389 1 1 343 . 8 1 1 A 41 41 GLU HA H 41 5.629 5.015 0.614 1 1 344 . 8 1 1 A 41 41 GLU CB C 41 34.053 32.813 1.240 1 1 348 . 8 1 1 A 41 41 GLU C C 41 175.607 175.117 0.490 1 1 351 . 8 1 1 A 42 42 PHE N N 42 116.557 118.128 -1.571 1 1 352 . 8 1 1 A 42 42 PHE H H 42 8.753 7.765 0.988 1 1 353 . 8 1 1 A 42 42 PHE CA C 42 56.847 55.104 1.743 1 1 354 . 8 1 1 A 42 42 PHE HA H 42 4.743 5.551 -0.808 1 1 355 . 8 1 1 A 42 42 PHE CB C 42 40.908 42.414 -1.506 1 1 367 . 8 1 1 A 42 42 PHE C C 42 170.204 173.140 -2.936 1 1 369 . 8 1 1 A 43 43 PHE N N 43 118.643 119.598 -0.955 1 1 370 . 8 1 1 A 43 43 PHE H H 43 9.234 8.751 0.483 1 1 371 . 8 1 1 A 43 43 PHE CA C 43 57.292 57.426 -0.134 1 1 372 . 8 1 1 A 43 43 PHE HA H 43 5.041 4.942 0.099 1 1 373 . 8 1 1 A 43 43 PHE CB C 43 42.583 41.261 1.322 1 1 385 . 8 1 1 A 43 43 PHE C C 43 174.177 175.376 -1.199 1 1 387 . 8 1 1 A 44 44 ILE N N 44 120.124 120.493 -0.369 1 1 388 . 8 1 1 A 44 44 ILE H H 44 8.876 8.954 -0.078 1 1 389 . 8 1 1 A 44 44 ILE CA C 44 59.698 59.853 -0.155 1 1 390 . 8 1 1 A 44 44 ILE HA H 44 4.717 4.703 0.014 1 1 391 . 8 1 1 A 44 44 ILE CB C 44 40.591 40.987 -0.396 1 1 403 . 8 1 1 A 44 44 ILE C C 44 174.483 175.134 -0.651 1 1 405 . 8 1 1 A 45 45 ASN N N 45 127.058 124.876 2.182 1 1 406 . 8 1 1 A 45 45 ASN H H 45 9.553 8.951 0.602 1 1 407 . 8 1 1 A 45 45 ASN CA C 45 52.099 52.053 0.046 1 1 408 . 8 1 1 A 45 45 ASN HA H 45 5.380 4.835 0.545 1 1 409 . 8 1 1 A 45 45 ASN CB C 45 39.596 37.030 2.566 1 1 414 . 8 1 1 A 45 45 ASN C C 45 176.821 175.570 1.251 1 1 416 . 8 1 1 A 46 46 THR H H 46 9.223 8.506 0.717 1 1 417 . 8 1 1 A 46 46 THR CA C 46 61.534 61.236 0.298 1 1 418 . 8 1 1 A 46 46 THR HA H 46 4.368 4.616 -0.248 1 1 419 . 8 1 1 A 46 46 THR CB C 46 68.352 69.360 -1.008 1 1 425 . 8 1 1 A 46 46 THR C C 46 176.816 175.105 1.711 1 1 426 . 8 1 1 A 47 47 THR N N 47 116.732 114.631 2.101 1 1 427 . 8 1 1 A 47 47 THR H H 47 8.368 8.165 0.203 1 1 428 . 8 1 1 A 47 47 THR CA C 47 65.916 64.447 1.469 1 1 429 . 8 1 1 A 47 47 THR HA H 47 4.032 4.186 -0.154 1 1 430 . 8 1 1 A 47 47 THR CB C 47 69.870 69.079 0.791 1 1 436 . 8 1 1 A 47 47 THR C C 47 176.865 175.818 1.047 1 1 437 . 8 1 1 A 48 48 ARG N N 48 119.205 120.749 -1.544 1 1 438 . 8 1 1 A 48 48 ARG H H 48 8.785 7.831 0.954 1 1 439 . 8 1 1 A 48 48 ARG CA C 48 56.273 56.842 -0.569 1 1 440 . 8 1 1 A 48 48 ARG HA H 48 4.488 4.386 0.102 1 1 441 . 8 1 1 A 48 48 ARG CB C 48 30.862 30.681 0.181 1 1 447 . 8 1 1 A 48 48 ARG C C 48 176.314 178.453 -2.139 1 1 451 . 8 1 1 A 49 49 ALA N N 49 120.807 120.018 0.789 1 1 452 . 8 1 1 A 49 49 ALA H H 49 7.440 7.902 -0.462 1 1 453 . 8 1 1 A 49 49 ALA CA C 49 53.138 53.247 -0.109 1 1 454 . 8 1 1 A 49 49 ALA HA H 49 4.341 4.130 0.211 1 1 455 . 8 1 1 A 49 49 ALA CB C 49 22.427 19.344 3.083 1 1 459 . 8 1 1 A 49 49 ALA C C 49 177.914 178.406 -0.492 1 1 460 . 8 1 1 A 50 50 GLY N N 50 105.941 103.998 1.943 1 1 461 . 8 1 1 A 50 50 GLY H H 50 7.924 7.410 0.514 1 1 462 . 8 1 1 A 50 50 GLY CA C 50 44.229 44.602 -0.373 1 1 463 . 8 1 1 A 50 50 GLY HA3 H 50 4.325 4.142 0.183 1 1 464 . 8 1 1 A 50 50 GLY C C 50 171.089 172.999 -1.910 1 1 465 . 8 1 1 A 50 50 GLY HA2 H 50 3.948 4.103 -0.155 1 1 466 . 8 1 1 A 51 51 PRO CA C 51 63.140 63.218 -0.078 1 1 467 . 8 1 1 A 51 51 PRO HA H 51 4.588 4.463 0.125 1 1 468 . 8 1 1 A 51 51 PRO CB C 51 33.004 33.297 -0.293 1 1 477 . 8 1 1 A 52 52 GLY CA C 52 45.195 45.347 -0.152 1 1 478 . 8 1 1 A 52 52 GLY HA3 H 52 3.275 4.228 -0.953 1 1 479 . 8 1 1 A 52 52 GLY HA2 H 52 3.852 4.197 -0.345 1 1 480 . 8 1 1 A 53 53 THR N N 53 114.003 115.412 -1.409 1 1 481 . 8 1 1 A 53 53 THR H H 53 8.049 8.452 -0.403 1 1 482 . 8 1 1 A 53 53 THR CA C 53 62.352 60.526 1.826 1 1 483 . 8 1 1 A 53 53 THR HA H 53 4.436 5.348 -0.912 1 1 484 . 8 1 1 A 53 53 THR CB C 53 69.631 70.564 -0.933 1 1 490 . 8 1 1 A 54 54 LEU CA C 54 53.891 53.362 0.529 1 1 491 . 8 1 1 A 54 54 LEU HA H 54 5.077 5.260 -0.183 1 1 492 . 8 1 1 A 54 54 LEU CB C 54 44.515 46.401 -1.886 1 1 503 . 8 1 1 A 55 55 SER N N 55 120.726 120.530 0.196 1 1 504 . 8 1 1 A 55 55 SER H H 55 8.783 8.539 0.244 1 1 505 . 8 1 1 A 55 55 SER CA C 55 56.249 56.682 -0.433 1 1 506 . 8 1 1 A 55 55 SER HA H 55 5.092 5.192 -0.100 1 1 507 . 8 1 1 A 55 55 SER CB C 55 65.032 65.275 -0.243 1 1 509 . 8 1 1 A 55 55 SER C C 55 173.165 172.595 0.570 1 1 511 . 8 1 1 A 56 56 VAL N N 56 126.234 124.192 2.042 1 1 512 . 8 1 1 A 56 56 VAL H H 56 8.336 8.881 -0.545 1 1 513 . 8 1 1 A 56 56 VAL CA C 56 60.515 60.023 0.492 1 1 514 . 8 1 1 A 56 56 VAL HA H 56 5.134 5.056 0.078 1 1 515 . 8 1 1 A 56 56 VAL CB C 56 34.463 35.138 -0.675 1 1 520 . 8 1 1 A 56 56 VAL C C 56 174.718 173.457 1.261 1 1 521 . 8 1 1 A 57 57 THR N N 57 120.539 122.413 -1.874 1 1 522 . 8 1 1 A 57 57 THR H H 57 8.828 8.661 0.167 1 1 523 . 8 1 1 A 57 57 THR CA C 57 60.580 61.549 -0.969 1 1 524 . 8 1 1 A 57 57 THR HA H 57 5.132 5.108 0.024 1 1 525 . 8 1 1 A 57 57 THR CB C 57 72.187 72.287 -0.100 1 1 531 . 8 1 1 A 57 57 THR C C 57 172.970 173.673 -0.703 1 1 532 . 8 1 1 A 58 58 ILE N N 58 123.949 125.823 -1.874 1 1 533 . 8 1 1 A 58 58 ILE H H 58 9.249 8.887 0.362 1 1 534 . 8 1 1 A 58 58 ILE CA C 58 61.297 59.522 1.775 1 1 535 . 8 1 1 A 58 58 ILE HA H 58 5.001 5.189 -0.188 1 1 536 . 8 1 1 A 58 58 ILE CB C 58 39.755 41.731 -1.976 1 1 548 . 8 1 1 A 58 58 ILE C C 58 174.848 174.496 0.352 1 1 550 . 8 1 1 A 59 59 GLU N N 59 129.027 122.385 6.642 1 1 551 . 8 1 1 A 59 59 GLU H H 59 8.966 8.748 0.218 1 1 552 . 8 1 1 A 59 59 GLU CA C 59 53.911 54.700 -0.789 1 1 553 . 8 1 1 A 59 59 GLU HA H 59 5.427 5.081 0.346 1 1 554 . 8 1 1 A 59 59 GLU CB C 59 33.843 33.443 0.400 1 1 558 . 8 1 1 A 59 59 GLU C C 59 175.342 175.403 -0.061 1 1 561 . 8 1 1 A 60 60 GLY N N 60 110.765 108.325 2.440 1 1 562 . 8 1 1 A 60 60 GLY H H 60 8.597 8.234 0.363 1 1 563 . 8 1 1 A 60 60 GLY CA C 60 45.997 44.665 1.332 1 1 564 . 8 1 1 A 60 60 GLY HA3 H 60 3.908 3.841 0.067 1 1 565 . 8 1 1 A 60 60 GLY C C 60 171.205 173.967 -2.762 1 1 566 . 8 1 1 A 60 60 GLY HA2 H 60 3.685 3.342 0.343 1 1 567 . 8 1 1 A 61 61 PRO CA C 61 64.057 64.610 -0.553 1 1 568 . 8 1 1 A 61 61 PRO HA H 61 4.415 4.312 0.103 1 1 569 . 8 1 1 A 61 61 PRO CB C 61 32.143 31.968 0.175 1 1 575 . 8 1 1 A 61 61 PRO C C 61 175.925 176.432 -0.507 1 1 579 . 8 1 1 A 62 62 SER N N 62 108.413 113.602 -5.189 1 1 580 . 8 1 1 A 62 62 SER H H 62 7.144 7.924 -0.780 1 1 581 . 8 1 1 A 62 62 SER CA C 62 57.037 57.979 -0.942 1 1 582 . 8 1 1 A 62 62 SER HA H 62 4.596 4.874 -0.278 1 1 583 . 8 1 1 A 62 62 SER CB C 62 66.522 64.792 1.730 1 1 585 . 8 1 1 A 62 62 SER C C 62 172.446 174.277 -1.831 1 1 587 . 8 1 1 A 63 63 LYS N N 63 122.539 125.658 -3.119 1 1 588 . 8 1 1 A 63 63 LYS H H 63 8.620 8.642 -0.022 1 1 589 . 8 1 1 A 63 63 LYS CA C 63 56.407 57.720 -1.313 1 1 590 . 8 1 1 A 63 63 LYS HA H 63 4.267 4.195 0.072 1 1 591 . 8 1 1 A 63 63 LYS CB C 63 32.576 33.178 -0.602 1 1 596 . 8 1 1 A 63 63 LYS C C 63 176.658 176.502 0.156 1 1 601 . 8 1 1 A 64 64 VAL N N 64 120.278 118.394 1.884 1 1 602 . 8 1 1 A 64 64 VAL H H 64 8.554 8.805 -0.251 1 1 603 . 8 1 1 A 64 64 VAL CA C 64 60.425 59.690 0.735 1 1 604 . 8 1 1 A 64 64 VAL HA H 64 4.460 4.848 -0.388 1 1 605 . 8 1 1 A 64 64 VAL CB C 64 32.938 35.171 -2.233 1 1 615 . 8 1 1 A 64 64 VAL C C 64 176.629 174.313 2.316 1 1 616 . 8 1 1 A 65 65 LYS N N 65 121.529 125.013 -3.484 1 1 617 . 8 1 1 A 65 65 LYS H H 65 8.139 8.734 -0.595 1 1 618 . 8 1 1 A 65 65 LYS CA C 65 56.181 55.606 0.575 1 1 619 . 8 1 1 A 65 65 LYS HA H 65 4.474 4.612 -0.138 1 1 620 . 8 1 1 A 65 65 LYS CB C 65 32.960 31.655 1.305 1 1 627 . 8 1 1 A 65 65 LYS C C 65 176.309 176.157 0.152 1 1 632 . 8 1 1 A 66 66 MET N N 66 125.382 123.149 2.233 1 1 633 . 8 1 1 A 66 66 MET H H 66 8.811 8.027 0.784 1 1 634 . 8 1 1 A 66 66 MET CA C 66 55.055 53.726 1.329 1 1 635 . 8 1 1 A 66 66 MET HA H 66 5.393 5.425 -0.032 1 1 636 . 8 1 1 A 66 66 MET CB C 66 37.398 34.360 3.038 1 1 644 . 8 1 1 A 66 66 MET C C 66 174.026 175.562 -1.536 1 1 647 . 8 1 1 A 67 67 ASP N N 67 122.714 122.097 0.617 1 1 648 . 8 1 1 A 67 67 ASP H H 67 8.995 8.606 0.389 1 1 649 . 8 1 1 A 67 67 ASP CA C 67 53.231 52.968 0.263 1 1 650 . 8 1 1 A 67 67 ASP HA H 67 4.854 5.189 -0.335 1 1 651 . 8 1 1 A 67 67 ASP CB C 67 44.980 43.372 1.608 1 1 654 . 8 1 1 A 68 68 CYS H H 68 8.412 8.766 -0.354 1 1 655 . 8 1 1 A 68 68 CYS CA C 68 56.390 58.066 -1.676 1 1 656 . 8 1 1 A 68 68 CYS HA H 68 5.288 5.261 0.027 1 1 657 . 8 1 1 A 68 68 CYS CB C 68 28.188 29.823 -1.635 1 1 660 . 8 1 1 A 69 69 GLN N N 69 125.044 124.939 0.105 1 1 661 . 8 1 1 A 69 69 GLN H H 69 9.116 8.694 0.422 1 1 662 . 8 1 1 A 69 69 GLN CA C 69 56.403 54.430 1.973 1 1 663 . 8 1 1 A 69 69 GLN HA H 69 5.290 4.874 0.416 1 1 664 . 8 1 1 A 69 69 GLN CB C 69 32.962 31.655 1.307 1 1 671 . 8 1 1 A 70 70 GLU N N 70 125.781 120.087 5.694 1 1 672 . 8 1 1 A 70 70 GLU H H 70 8.979 8.672 0.307 1 1 673 . 8 1 1 A 70 70 GLU CA C 70 56.418 55.065 1.353 1 1 674 . 8 1 1 A 70 70 GLU HA H 70 4.029 5.216 -1.187 1 1 675 . 8 1 1 A 70 70 GLU CB C 70 30.585 32.056 -1.471 1 1 681 . 8 1 1 A 71 71 THR N N 71 118.158 115.223 2.935 1 1 682 . 8 1 1 A 71 71 THR H H 71 8.455 8.638 -0.183 1 1 683 . 8 1 1 A 71 71 THR CA C 71 59.209 58.329 0.880 1 1 684 . 8 1 1 A 71 71 THR HA H 71 4.902 5.002 -0.100 1 1 685 . 8 1 1 A 71 71 THR CB C 71 68.926 70.265 -1.339 1 1 691 . 8 1 1 A 72 72 PRO CA C 72 65.290 64.375 0.915 1 1 692 . 8 1 1 A 72 72 PRO HA H 72 4.296 4.493 -0.197 1 1 693 . 8 1 1 A 72 72 PRO CB C 72 31.848 31.662 0.186 1 1 699 . 8 1 1 A 72 72 PRO C C 72 177.476 177.771 -0.295 1 1 703 . 8 1 1 A 73 73 GLU N N 73 112.293 117.997 -5.704 1 1 704 . 8 1 1 A 73 73 GLU H H 73 7.562 8.409 -0.847 1 1 705 . 8 1 1 A 73 73 GLU CA C 73 55.577 57.408 -1.831 1 1 706 . 8 1 1 A 73 73 GLU HA H 73 4.370 4.293 0.077 1 1 707 . 8 1 1 A 73 73 GLU CB C 73 30.787 30.972 -0.185 1 1 711 . 8 1 1 A 73 73 GLU C C 73 174.438 176.306 -1.868 1 1 714 . 8 1 1 A 74 74 GLY N N 74 109.223 106.947 2.276 1 1 715 . 8 1 1 A 74 74 GLY H H 74 7.324 7.196 0.128 1 1 716 . 8 1 1 A 74 74 GLY CA C 74 47.146 46.086 1.060 1 1 717 . 8 1 1 A 74 74 GLY HA3 H 74 3.551 4.101 -0.550 1 1 718 . 8 1 1 A 74 74 GLY C C 74 172.589 171.474 1.115 1 1 719 . 8 1 1 A 74 74 GLY HA2 H 74 4.949 3.973 0.976 1 1 720 . 8 1 1 A 75 75 TYR N N 75 123.117 120.938 2.179 1 1 721 . 8 1 1 A 75 75 TYR H H 75 8.883 8.535 0.348 1 1 722 . 8 1 1 A 75 75 TYR CA C 75 57.566 56.297 1.269 1 1 723 . 8 1 1 A 75 75 TYR HA H 75 5.171 5.382 -0.211 1 1 724 . 8 1 1 A 75 75 TYR CB C 75 44.111 42.287 1.824 1 1 734 . 8 1 1 A 75 75 TYR C C 75 173.925 173.863 0.062 1 1 736 . 8 1 1 A 76 76 LYS N N 76 124.633 125.005 -0.372 1 1 737 . 8 1 1 A 76 76 LYS H H 76 9.390 9.147 0.243 1 1 738 . 8 1 1 A 76 76 LYS CA C 76 55.055 54.724 0.331 1 1 739 . 8 1 1 A 76 76 LYS HA H 76 4.594 4.921 -0.327 1 1 740 . 8 1 1 A 76 76 LYS CB C 76 35.124 35.307 -0.183 1 1 748 . 8 1 1 A 76 76 LYS C C 76 174.069 174.869 -0.800 1 1 753 . 8 1 1 A 77 77 VAL N N 77 126.947 125.467 1.480 1 1 754 . 8 1 1 A 77 77 VAL H H 77 8.607 7.771 0.836 1 1 755 . 8 1 1 A 77 77 VAL CA C 77 60.894 60.230 0.664 1 1 756 . 8 1 1 A 77 77 VAL HA H 77 4.280 4.647 -0.367 1 1 757 . 8 1 1 A 77 77 VAL CB C 77 32.115 34.130 -2.015 1 1 767 . 8 1 1 A 77 77 VAL C C 77 173.586 174.480 -0.894 1 1 768 . 8 1 1 A 78 78 MET N N 78 123.986 124.395 -0.409 1 1 769 . 8 1 1 A 78 78 MET H H 78 8.410 8.503 -0.093 1 1 770 . 8 1 1 A 78 78 MET CA C 78 53.236 53.916 -0.680 1 1 771 . 8 1 1 A 78 78 MET HA H 78 5.290 5.300 -0.010 1 1 772 . 8 1 1 A 78 78 MET CB C 78 36.873 34.915 1.958 1 1 780 . 8 1 1 A 78 78 MET C C 78 174.665 174.583 0.082 1 1 783 . 8 1 1 A 79 79 TYR N N 79 117.488 119.904 -2.416 1 1 784 . 8 1 1 A 79 79 TYR H H 79 8.739 8.591 0.148 1 1 785 . 8 1 1 A 79 79 TYR CA C 79 56.011 55.959 0.052 1 1 786 . 8 1 1 A 79 79 TYR HA H 79 5.654 5.416 0.238 1 1 787 . 8 1 1 A 79 79 TYR CB C 79 41.549 41.903 -0.354 1 1 797 . 8 1 1 A 79 79 TYR C C 79 172.927 173.242 -0.315 1 1 799 . 8 1 1 A 80 80 THR H H 80 8.383 9.030 -0.647 1 1 800 . 8 1 1 A 80 80 THR CA C 80 58.611 58.966 -0.355 1 1 801 . 8 1 1 A 80 80 THR HA H 80 4.978 4.760 0.218 1 1 802 . 8 1 1 A 80 80 THR CB C 80 70.258 71.161 -0.903 1 1 808 . 8 1 1 A 81 81 PRO CA C 81 61.531 62.844 -1.313 1 1 809 . 8 1 1 A 81 81 PRO HA H 81 4.532 4.629 -0.097 1 1 810 . 8 1 1 A 81 81 PRO CB C 81 32.774 31.909 0.865 1 1 819 . 8 1 1 A 82 82 MET N N 82 117.590 122.622 -5.032 1 1 820 . 8 1 1 A 82 82 MET H H 82 8.299 8.796 -0.497 1 1 821 . 8 1 1 A 82 82 MET CA C 82 53.882 57.084 -3.202 1 1 822 . 8 1 1 A 82 82 MET HA H 82 4.851 4.510 0.341 1 1 823 . 8 1 1 A 82 82 MET CB C 82 33.337 33.801 -0.464 1 1 831 . 8 1 1 A 82 82 MET C C 82 174.339 176.040 -1.701 1 1 834 . 8 1 1 A 83 83 ALA N N 83 119.196 119.176 0.020 1 1 835 . 8 1 1 A 83 83 ALA H H 83 7.076 7.927 -0.851 1 1 836 . 8 1 1 A 83 83 ALA CA C 83 49.425 49.945 -0.520 1 1 837 . 8 1 1 A 83 83 ALA HA H 83 4.791 4.761 0.030 1 1 838 . 8 1 1 A 83 83 ALA CB C 83 20.682 21.559 -0.877 1 1 842 . 8 1 1 A 83 83 ALA C C 83 174.364 174.676 -0.312 1 1 843 . 8 1 1 A 84 84 PRO CA C 84 62.540 63.360 -0.820 1 1 844 . 8 1 1 A 84 84 PRO HA H 84 4.244 4.495 -0.251 1 1 845 . 8 1 1 A 84 84 PRO CB C 84 32.615 33.502 -0.887 1 1 851 . 8 1 1 A 84 84 PRO C C 84 174.214 176.077 -1.863 1 1 855 . 8 1 1 A 85 85 GLY N N 85 105.436 108.392 -2.956 1 1 856 . 8 1 1 A 85 85 GLY H H 85 8.855 8.350 0.505 1 1 857 . 8 1 1 A 85 85 GLY CA C 85 44.156 44.626 -0.470 1 1 858 . 8 1 1 A 85 85 GLY HA3 H 85 3.761 4.216 -0.455 1 1 859 . 8 1 1 A 85 85 GLY C C 85 171.801 172.156 -0.355 1 1 860 . 8 1 1 A 85 85 GLY HA2 H 85 4.515 4.204 0.311 1 1 861 . 8 1 1 A 86 86 ASN N N 86 119.042 118.351 0.691 1 1 862 . 8 1 1 A 86 86 ASN H H 86 8.573 8.503 0.070 1 1 863 . 8 1 1 A 86 86 ASN CA C 86 52.499 51.796 0.703 1 1 864 . 8 1 1 A 86 86 ASN HA H 86 5.517 5.698 -0.181 1 1 865 . 8 1 1 A 86 86 ASN CB C 86 39.390 40.678 -1.288 1 1 870 . 8 1 1 A 86 86 ASN C C 86 174.453 173.468 0.985 1 1 872 . 8 1 1 A 87 87 TYR N N 87 122.992 123.336 -0.344 1 1 873 . 8 1 1 A 87 87 TYR H H 87 9.369 8.985 0.384 1 1 874 . 8 1 1 A 87 87 TYR CA C 87 56.366 56.148 0.218 1 1 875 . 8 1 1 A 87 87 TYR HA H 87 5.140 5.454 -0.314 1 1 876 . 8 1 1 A 87 87 TYR CB C 87 40.267 41.302 -1.035 1 1 886 . 8 1 1 A 87 87 TYR C C 87 174.332 174.472 -0.140 1 1 888 . 8 1 1 A 88 88 LEU N N 88 124.720 123.881 0.839 1 1 889 . 8 1 1 A 88 88 LEU H H 88 9.306 8.639 0.667 1 1 890 . 8 1 1 A 88 88 LEU CA C 88 53.426 53.570 -0.144 1 1 891 . 8 1 1 A 88 88 LEU HA H 88 5.253 5.123 0.130 1 1 892 . 8 1 1 A 88 88 LEU CB C 88 44.487 45.508 -1.021 1 1 904 . 8 1 1 A 88 88 LEU C C 88 177.074 174.508 2.566 1 1 906 . 8 1 1 A 89 89 ILE N N 89 130.469 129.471 0.998 1 1 907 . 8 1 1 A 89 89 ILE H H 89 9.807 9.222 0.585 1 1 908 . 8 1 1 A 89 89 ILE CA C 89 60.792 60.168 0.624 1 1 909 . 8 1 1 A 89 89 ILE HA H 89 4.851 4.948 -0.097 1 1 910 . 8 1 1 A 89 89 ILE CB C 89 39.662 38.819 0.843 1 1 922 . 8 1 1 A 89 89 ILE C C 89 175.605 174.933 0.672 1 1 924 . 8 1 1 A 90 90 SER N N 90 123.845 124.281 -0.436 1 1 925 . 8 1 1 A 90 90 SER H H 90 9.540 9.310 0.230 1 1 926 . 8 1 1 A 90 90 SER CA C 90 58.036 57.322 0.714 1 1 927 . 8 1 1 A 90 90 SER HA H 90 5.199 5.404 -0.205 1 1 928 . 8 1 1 A 90 90 SER CB C 90 64.133 66.115 -1.982 1 1 930 . 8 1 1 A 90 90 SER C C 90 173.566 173.313 0.253 1 1 932 . 8 1 1 A 91 91 VAL N N 91 128.427 123.734 4.693 1 1 933 . 8 1 1 A 91 91 VAL H H 91 9.918 8.877 1.041 1 1 934 . 8 1 1 A 91 91 VAL CA C 91 61.447 61.390 0.057 1 1 935 . 8 1 1 A 91 91 VAL HA H 91 4.837 4.738 0.099 1 1 936 . 8 1 1 A 91 91 VAL CB C 91 33.761 34.949 -1.188 1 1 946 . 8 1 1 A 91 91 VAL C C 91 173.296 174.378 -1.082 1 1 947 . 8 1 1 A 92 92 LYS N N 92 125.779 126.731 -0.952 1 1 948 . 8 1 1 A 92 92 LYS H H 92 8.892 8.529 0.363 1 1 949 . 8 1 1 A 92 92 LYS CA C 92 54.468 54.752 -0.284 1 1 950 . 8 1 1 A 92 92 LYS HA H 92 5.065 5.071 -0.006 1 1 951 . 8 1 1 A 92 92 LYS CB C 92 36.106 35.624 0.482 1 1 959 . 8 1 1 A 92 92 LYS C C 92 175.189 175.065 0.124 1 1 964 . 8 1 1 A 93 93 TYR N N 93 120.251 123.943 -3.692 1 1 965 . 8 1 1 A 93 93 TYR H H 93 8.061 9.117 -1.056 1 1 966 . 8 1 1 A 93 93 TYR CA C 93 56.884 57.510 -0.626 1 1 967 . 8 1 1 A 93 93 TYR HA H 93 5.522 4.939 0.583 1 1 968 . 8 1 1 A 93 93 TYR CB C 93 44.120 41.356 2.764 1 1 978 . 8 1 1 A 93 93 TYR C C 93 175.517 175.615 -0.098 1 1 980 . 8 1 1 A 94 94 GLY N N 94 114.148 115.490 -1.342 1 1 981 . 8 1 1 A 94 94 GLY H H 94 8.274 8.695 -0.421 1 1 982 . 8 1 1 A 94 94 GLY CA C 94 45.959 45.561 0.398 1 1 983 . 8 1 1 A 94 94 GLY HA3 H 94 3.705 3.924 -0.219 1 1 984 . 8 1 1 A 94 94 GLY C C 94 173.595 174.069 -0.474 1 1 985 . 8 1 1 A 94 94 GLY HA2 H 94 3.877 3.845 0.032 1 1 986 . 8 1 1 A 95 95 GLY N N 95 107.010 108.373 -1.363 1 1 987 . 8 1 1 A 95 95 GLY H H 95 7.452 8.368 -0.916 1 1 988 . 8 1 1 A 95 95 GLY CA C 95 43.954 44.393 -0.439 1 1 989 . 8 1 1 A 95 95 GLY HA3 H 95 3.618 4.130 -0.512 1 1 990 . 8 1 1 A 95 95 GLY C C 95 172.825 174.671 -1.846 1 1 991 . 8 1 1 A 95 95 GLY HA2 H 95 4.507 4.116 0.391 1 1 992 . 8 1 1 A 96 96 PRO CA C 96 63.221 64.321 -1.100 1 1 993 . 8 1 1 A 96 96 PRO HA H 96 4.413 4.489 -0.076 1 1 994 . 8 1 1 A 96 96 PRO CB C 96 30.955 31.877 -0.922 1 1 1000 . 8 1 1 A 96 96 PRO C C 96 175.901 176.413 -0.512 1 1 1004 . 8 1 1 A 97 97 ASN N N 97 119.942 117.897 2.045 1 1 1005 . 8 1 1 A 97 97 ASN H H 97 8.172 7.964 0.208 1 1 1006 . 8 1 1 A 97 97 ASN CA C 97 52.914 54.020 -1.106 1 1 1007 . 8 1 1 A 97 97 ASN HA H 97 4.864 4.660 0.204 1 1 1008 . 8 1 1 A 97 97 ASN CB C 97 39.806 38.659 1.147 1 1 1013 . 8 1 1 A 97 97 ASN C C 97 174.285 175.344 -1.059 1 1 1015 . 8 1 1 A 98 98 HIS N N 98 121.803 118.692 3.111 1 1 1016 . 8 1 1 A 98 98 HIS H H 98 8.456 8.397 0.059 1 1 1017 . 8 1 1 A 98 98 HIS CA C 98 58.023 53.742 4.281 1 1 1018 . 8 1 1 A 98 98 HIS HA H 98 4.475 5.175 -0.700 1 1 1019 . 8 1 1 A 98 98 HIS CB C 98 33.382 31.342 2.040 1 1 1025 . 8 1 1 A 98 98 HIS C C 98 177.938 175.207 2.731 1 1 1027 . 8 1 1 A 99 99 ILE N N 99 115.599 118.173 -2.574 1 1 1028 . 8 1 1 A 99 99 ILE H H 99 8.237 8.010 0.227 1 1 1029 . 8 1 1 A 99 99 ILE CA C 99 60.895 60.307 0.588 1 1 1030 . 8 1 1 A 99 99 ILE HA H 99 4.545 4.150 0.395 1 1 1031 . 8 1 1 A 99 99 ILE CB C 99 38.675 39.942 -1.267 1 1 1043 . 8 1 1 A 99 99 ILE C C 99 176.165 175.753 0.412 1 1 1045 . 8 1 1 A 100 100 VAL H H 100 8.389 8.346 0.043 1 1 1046 . 8 1 1 A 100 100 VAL CA C 100 65.835 65.171 0.664 1 1 1047 . 8 1 1 A 100 100 VAL HA H 100 3.673 3.631 0.042 1 1 1048 . 8 1 1 A 100 100 VAL CB C 100 31.169 31.458 -0.289 1 1 1058 . 8 1 1 A 101 101 GLY N N 101 116.014 115.790 0.224 1 1 1059 . 8 1 1 A 101 101 GLY H H 101 8.297 8.912 -0.615 1 1 1060 . 8 1 1 A 101 101 GLY CA C 101 44.626 45.084 -0.458 1 1 1061 . 8 1 1 A 101 101 GLY HA3 H 101 3.227 4.099 -0.872 1 1 1062 . 8 1 1 A 101 101 GLY C C 101 171.863 173.916 -2.053 1 1 1063 . 8 1 1 A 101 101 GLY HA2 H 101 4.207 3.988 0.219 1 1 1064 . 8 1 1 A 102 102 SER N N 102 111.977 115.157 -3.180 1 1 1065 . 8 1 1 A 102 102 SER H H 102 7.304 7.539 -0.235 1 1 1066 . 8 1 1 A 102 102 SER CA C 102 54.570 56.300 -1.730 1 1 1067 . 8 1 1 A 102 102 SER HA H 102 3.915 3.531 0.384 1 1 1068 . 8 1 1 A 102 102 SER CB C 102 62.569 63.685 -1.116 1 1 1071 . 8 1 1 A 103 103 PRO CA C 103 62.215 62.477 -0.262 1 1 1072 . 8 1 1 A 103 103 PRO HA H 103 5.475 4.355 1.120 1 1 1073 . 8 1 1 A 103 103 PRO CB C 103 33.552 32.575 0.977 1 1 1079 . 8 1 1 A 103 103 PRO C C 103 175.646 176.317 -0.671 1 1 1083 . 8 1 1 A 104 104 PHE N N 104 123.291 121.642 1.649 1 1 1084 . 8 1 1 A 104 104 PHE H H 104 9.465 8.298 1.167 1 1 1085 . 8 1 1 A 104 104 PHE CA C 104 57.015 57.632 -0.617 1 1 1086 . 8 1 1 A 104 104 PHE HA H 104 4.531 4.848 -0.317 1 1 1087 . 8 1 1 A 104 104 PHE CB C 104 40.607 39.974 0.633 1 1 1099 . 8 1 1 A 104 104 PHE C C 104 175.305 175.241 0.064 1 1 1101 . 8 1 1 A 105 105 LYS N N 105 123.989 124.785 -0.796 1 1 1102 . 8 1 1 A 105 105 LYS H H 105 8.712 8.986 -0.274 1 1 1103 . 8 1 1 A 105 105 LYS CA C 105 55.868 55.776 0.092 1 1 1104 . 8 1 1 A 105 105 LYS HA H 105 4.913 4.770 0.143 1 1 1105 . 8 1 1 A 105 105 LYS CB C 105 32.762 33.082 -0.320 1 1 1113 . 8 1 1 A 105 105 LYS C C 105 174.065 175.265 -1.200 1 1 1118 . 8 1 1 A 106 106 ALA N N 106 129.654 128.563 1.091 1 1 1119 . 8 1 1 A 106 106 ALA H H 106 8.964 8.904 0.060 1 1 1120 . 8 1 1 A 106 106 ALA CA C 106 50.325 50.270 0.055 1 1 1121 . 8 1 1 A 106 106 ALA HA H 106 4.497 5.409 -0.912 1 1 1122 . 8 1 1 A 106 106 ALA CB C 106 20.496 21.043 -0.547 1 1 1126 . 8 1 1 A 106 106 ALA C C 106 176.111 175.432 0.679 1 1 1127 . 8 1 1 A 107 107 LYS N N 107 124.155 123.304 0.851 1 1 1128 . 8 1 1 A 107 107 LYS H H 107 7.955 8.814 -0.859 1 1 1129 . 8 1 1 A 107 107 LYS CA C 107 55.904 54.792 1.112 1 1 1130 . 8 1 1 A 107 107 LYS HA H 107 4.950 4.980 -0.030 1 1 1131 . 8 1 1 A 107 107 LYS CB C 107 33.755 34.937 -1.182 1 1 1139 . 8 1 1 A 107 107 LYS C C 107 175.350 175.336 0.014 1 1 1144 . 8 1 1 A 108 108 VAL N N 108 128.726 127.576 1.150 1 1 1145 . 8 1 1 A 108 108 VAL H H 108 9.373 8.473 0.900 1 1 1146 . 8 1 1 A 108 108 VAL CA C 108 60.804 61.636 -0.832 1 1 1147 . 8 1 1 A 108 108 VAL HA H 108 4.851 4.758 0.093 1 1 1148 . 8 1 1 A 108 108 VAL CB C 108 33.175 32.987 0.188 1 1 1158 . 8 1 1 A 108 108 VAL C C 108 177.017 176.663 0.354 1 1 1159 . 8 1 1 A 109 109 THR N N 109 121.067 117.121 3.946 1 1 1160 . 8 1 1 A 109 109 THR H H 109 8.527 8.349 0.178 1 1 1161 . 8 1 1 A 109 109 THR CA C 109 60.138 60.490 -0.352 1 1 1162 . 8 1 1 A 109 109 THR HA H 109 4.864 4.726 0.138 1 1 1163 . 8 1 1 A 109 109 THR CB C 109 70.960 70.734 0.226 1 1 1169 . 8 1 1 A 109 109 THR C C 109 173.130 174.690 -1.560 1 1 1170 . 8 1 1 A 110 110 GLY N N 110 106.893 108.461 -1.568 1 1 1171 . 8 1 1 A 110 110 GLY H H 110 8.404 8.572 -0.168 1 1 1172 . 8 1 1 A 110 110 GLY CA C 110 43.888 46.680 -2.792 1 1 1173 . 8 1 1 A 110 110 GLY HA3 H 110 3.851 3.952 -0.101 1 1 1174 . 8 1 1 A 110 110 GLY C C 110 173.870 174.410 -0.540 1 1 1175 . 8 1 1 A 110 110 GLY HA2 H 110 4.773 3.946 0.827 1 1 1176 . 8 1 1 A 111 111 GLN N N 111 116.999 123.736 -6.737 1 1 1177 . 8 1 1 A 111 111 GLN H H 111 8.234 8.304 -0.070 1 1 1178 . 8 1 1 A 111 111 GLN CA C 111 55.230 54.809 0.421 1 1 1179 . 8 1 1 A 111 111 GLN HA H 111 4.269 4.542 -0.273 1 1 1180 . 8 1 1 A 111 111 GLN CB C 111 30.118 29.454 0.664 1 1 1187 . 8 1 1 A 111 111 GLN C C 111 176.550 175.160 1.390 1 1 1190 . 8 1 1 A 112 112 ARG N N 112 122.131 123.364 -1.233 1 1 1191 . 8 1 1 A 112 112 ARG H H 112 8.832 7.591 1.241 1 1 1192 . 8 1 1 A 112 112 ARG CA C 112 57.384 57.270 0.114 1 1 1193 . 8 1 1 A 112 112 ARG HA H 112 4.300 4.166 0.134 1 1 1194 . 8 1 1 A 112 112 ARG CB C 112 30.059 30.872 -0.813 1 1 1200 . 8 1 1 A 112 112 ARG C C 112 175.836 176.421 -0.585 1 1 1204 . 8 1 1 A 113 113 LEU N N 113 126.764 127.875 -1.111 1 1 1205 . 8 1 1 A 113 113 LEU H H 113 8.424 9.061 -0.637 1 1 1206 . 8 1 1 A 113 113 LEU CA C 113 54.919 55.389 -0.470 1 1 1207 . 8 1 1 A 113 113 LEU HA H 113 4.517 4.551 -0.034 1 1 1208 . 8 1 1 A 113 113 LEU CB C 113 42.706 43.201 -0.495 1 1 1220 . 8 1 1 A 113 113 LEU C C 113 176.521 176.602 -0.081 1 1 1222 . 8 1 1 A 116 116 PRO CA C 116 63.729 63.007 0.722 1 1 1223 . 8 1 1 A 116 116 PRO HA H 116 4.436 4.552 -0.116 1 1 1224 . 8 1 1 A 116 116 PRO CB C 116 32.182 33.441 -1.259 1 1 1233 . 8 1 1 A 117 117 GLY N N 117 110.092 107.686 2.406 1 1 1234 . 8 1 1 A 117 117 GLY H H 117 8.493 8.134 0.359 1 1 1235 . 8 1 1 A 118 118 SER CA C 118 58.420 57.427 0.993 1 1 1236 . 8 1 1 A 118 118 SER HA H 118 4.454 5.108 -0.654 1 1 1237 . 8 1 1 A 118 118 SER CB C 118 64.014 65.807 -1.793 1 1 1239 . 8 1 1 A 118 118 SER C C 118 174.495 172.968 1.527 1 1 1241 . 8 1 1 A 119 119 ALA N N 119 125.244 127.010 -1.766 1 1 1242 . 8 1 1 A 119 119 ALA H H 119 8.365 8.543 -0.178 1 1 1243 . 8 1 1 A 119 119 ALA CA C 119 52.697 51.584 1.113 1 1 1244 . 8 1 1 A 119 119 ALA HA H 119 4.333 4.441 -0.108 1 1 1245 . 8 1 1 A 119 119 ALA CB C 119 19.378 20.429 -1.051 1 1 1249 . 8 1 1 A 119 119 ALA C C 119 177.362 176.848 0.514 1 1 1250 . 8 1 1 A 120 120 ASN N N 120 117.122 118.200 -1.078 1 1 1251 . 8 1 1 A 120 120 ASN H H 120 8.311 8.645 -0.334 1 1 1252 . 8 1 1 A 120 120 ASN CA C 120 53.198 51.166 2.032 1 1 1253 . 8 1 1 A 120 120 ASN HA H 120 4.659 4.974 -0.315 1 1 1254 . 8 1 1 A 120 120 ASN CB C 120 38.852 41.086 -2.234 1 1 1259 . 8 1 1 A 120 120 ASN C C 120 175.112 174.560 0.552 1 1 1261 . 8 1 1 A 122 122 THR CA C 122 61.947 60.564 1.383 1 1 1262 . 8 1 1 A 122 122 THR HA H 122 4.197 4.990 -0.793 1 1 1263 . 8 1 1 A 122 122 THR CB C 122 69.949 71.658 -1.709 1 1 1 . 9 1 1 A 9 9 LYS N N 9 120.806 123.585 -2.779 1 1 2 . 9 1 1 A 9 9 LYS H H 9 8.548 8.809 -0.261 1 1 3 . 9 1 1 A 9 9 LYS CA C 9 56.358 54.292 2.066 1 1 4 . 9 1 1 A 9 9 LYS HA H 9 4.261 4.891 -0.630 1 1 5 . 9 1 1 A 9 9 LYS CB C 9 32.673 37.169 -4.496 1 1 17 . 9 1 1 A 10 10 VAL HA H 10 4.307 4.952 -0.645 1 1 18 . 9 1 1 A 10 10 VAL CB C 10 34.845 34.842 0.003 1 1 24 . 9 1 1 A 11 11 ARG N N 11 125.757 126.358 -0.601 1 1 25 . 9 1 1 A 11 11 ARG H H 11 8.546 8.554 -0.008 1 1 26 . 9 1 1 A 11 11 ARG CA C 11 55.966 54.920 1.046 1 1 27 . 9 1 1 A 11 11 ARG HA H 11 4.463 4.909 -0.446 1 1 28 . 9 1 1 A 11 11 ARG CB C 11 30.834 32.209 -1.375 1 1 37 . 9 1 1 A 12 12 VAL CA C 12 62.370 65.004 -2.634 1 1 38 . 9 1 1 A 12 12 VAL HA H 12 4.205 3.830 0.375 1 1 39 . 9 1 1 A 12 12 VAL CB C 12 32.571 32.243 0.328 1 1 48 . 9 1 1 A 13 13 GLY N N 13 113.294 107.975 5.319 1 1 49 . 9 1 1 A 13 13 GLY H H 13 8.608 7.840 0.768 1 1 50 . 9 1 1 A 13 13 GLY CA C 13 44.973 44.566 0.407 1 1 51 . 9 1 1 A 13 13 GLY HA3 H 13 4.024 4.073 -0.049 1 1 52 . 9 1 1 A 13 13 GLY HA2 H 13 3.891 4.072 -0.181 1 1 53 . 9 1 1 A 14 14 GLU N N 14 120.644 123.214 -2.570 1 1 54 . 9 1 1 A 14 14 GLU H H 14 8.139 8.391 -0.252 1 1 55 . 9 1 1 A 14 14 GLU CA C 14 54.101 53.371 0.730 1 1 56 . 9 1 1 A 14 14 GLU HA H 14 4.626 4.894 -0.268 1 1 57 . 9 1 1 A 14 14 GLU CB C 14 30.026 30.759 -0.733 1 1 63 . 9 1 1 A 15 15 PRO CA C 15 63.731 63.854 -0.123 1 1 64 . 9 1 1 A 15 15 PRO HA H 15 4.319 4.427 -0.108 1 1 65 . 9 1 1 A 15 15 PRO CB C 15 31.974 32.184 -0.210 1 1 71 . 9 1 1 A 15 15 PRO C C 15 177.450 176.964 0.486 1 1 75 . 9 1 1 A 16 16 GLY N N 16 109.768 108.598 1.170 1 1 76 . 9 1 1 A 16 16 GLY H H 16 8.577 7.748 0.829 1 1 77 . 9 1 1 A 16 16 GLY CA C 16 45.424 43.971 1.453 1 1 78 . 9 1 1 A 16 16 GLY HA3 H 16 3.804 4.086 -0.282 1 1 79 . 9 1 1 A 16 16 GLY C C 16 174.160 172.283 1.877 1 1 80 . 9 1 1 A 16 16 GLY HA2 H 16 4.086 4.085 0.001 1 1 81 . 9 1 1 A 17 17 GLN N N 17 119.726 115.941 3.785 1 1 82 . 9 1 1 A 17 17 GLN H H 17 7.868 8.423 -0.555 1 1 83 . 9 1 1 A 17 17 GLN CA C 17 55.403 53.599 1.804 1 1 84 . 9 1 1 A 17 17 GLN HA H 17 4.389 5.008 -0.619 1 1 85 . 9 1 1 A 17 17 GLN CB C 17 29.894 32.548 -2.654 1 1 92 . 9 1 1 A 17 17 GLN C C 17 175.290 174.332 0.958 1 1 95 . 9 1 1 A 18 18 ALA N N 18 125.593 124.275 1.318 1 1 96 . 9 1 1 A 18 18 ALA H H 18 8.469 8.598 -0.129 1 1 97 . 9 1 1 A 18 18 ALA CA C 18 52.389 51.187 1.202 1 1 98 . 9 1 1 A 18 18 ALA HA H 18 4.448 4.729 -0.281 1 1 99 . 9 1 1 A 18 18 ALA CB C 18 19.959 20.083 -0.124 1 1 103 . 9 1 1 A 18 18 ALA C C 18 177.464 177.399 0.065 1 1 104 . 9 1 1 A 19 19 GLY N N 19 109.162 112.727 -3.565 1 1 105 . 9 1 1 A 19 19 GLY H H 19 8.294 8.773 -0.479 1 1 106 . 9 1 1 A 19 19 GLY CA C 19 45.270 46.255 -0.985 1 1 107 . 9 1 1 A 19 19 GLY HA3 H 19 3.853 4.088 -0.235 1 1 108 . 9 1 1 A 19 19 GLY C C 19 173.012 173.435 -0.423 1 1 109 . 9 1 1 A 19 19 GLY HA2 H 19 4.207 3.967 0.240 1 1 110 . 9 1 1 A 20 20 ASN N N 20 118.861 124.532 -5.671 1 1 111 . 9 1 1 A 20 20 ASN H H 20 8.479 8.424 0.055 1 1 112 . 9 1 1 A 20 20 ASN CA C 20 50.128 49.737 0.391 1 1 113 . 9 1 1 A 20 20 ASN HA H 20 5.236 5.175 0.061 1 1 114 . 9 1 1 A 20 20 ASN CB C 20 39.697 40.659 -0.962 1 1 119 . 9 1 1 A 20 20 ASN C C 20 174.482 174.636 -0.154 1 1 121 . 9 1 1 A 21 21 PRO CA C 21 64.588 65.053 -0.465 1 1 122 . 9 1 1 A 21 21 PRO HA H 21 4.312 4.648 -0.336 1 1 123 . 9 1 1 A 21 21 PRO CB C 21 31.950 32.032 -0.082 1 1 129 . 9 1 1 A 21 21 PRO C C 21 177.141 177.940 -0.799 1 1 133 . 9 1 1 A 22 22 ALA N N 22 118.898 119.014 -0.116 1 1 134 . 9 1 1 A 22 22 ALA H H 22 7.918 7.948 -0.030 1 1 135 . 9 1 1 A 22 22 ALA CA C 22 53.499 55.398 -1.899 1 1 136 . 9 1 1 A 22 22 ALA HA H 22 4.386 4.062 0.324 1 1 137 . 9 1 1 A 22 22 ALA CB C 22 18.288 18.661 -0.373 1 1 141 . 9 1 1 A 22 22 ALA C C 22 178.115 180.549 -2.434 1 1 142 . 9 1 1 A 23 23 LEU N N 23 116.219 117.204 -0.985 1 1 143 . 9 1 1 A 23 23 LEU H H 23 7.696 8.031 -0.335 1 1 144 . 9 1 1 A 23 23 LEU CA C 23 53.851 57.992 -4.141 1 1 145 . 9 1 1 A 23 23 LEU HA H 23 4.475 4.078 0.397 1 1 146 . 9 1 1 A 23 23 LEU CB C 23 41.958 42.102 -0.144 1 1 158 . 9 1 1 A 23 23 LEU C C 23 176.653 178.070 -1.417 1 1 160 . 9 1 1 A 24 24 VAL N N 24 122.233 119.500 2.733 1 1 161 . 9 1 1 A 24 24 VAL H H 24 7.207 7.723 -0.516 1 1 162 . 9 1 1 A 24 24 VAL CA C 24 62.768 63.670 -0.902 1 1 163 . 9 1 1 A 24 24 VAL HA H 24 4.081 4.272 -0.191 1 1 164 . 9 1 1 A 24 24 VAL CB C 24 32.408 31.747 0.661 1 1 174 . 9 1 1 A 24 24 VAL C C 24 174.702 176.307 -1.605 1 1 175 . 9 1 1 A 25 25 SER N N 25 120.181 121.534 -1.353 1 1 176 . 9 1 1 A 25 25 SER H H 25 8.109 8.961 -0.852 1 1 177 . 9 1 1 A 25 25 SER CA C 25 56.489 56.939 -0.450 1 1 178 . 9 1 1 A 25 25 SER HA H 25 5.159 5.311 -0.152 1 1 179 . 9 1 1 A 25 25 SER CB C 25 66.443 66.230 0.213 1 1 181 . 9 1 1 A 25 25 SER C C 25 172.102 173.012 -0.910 1 1 183 . 9 1 1 A 26 26 ALA N N 26 124.850 124.876 -0.026 1 1 184 . 9 1 1 A 26 26 ALA H H 26 8.839 8.954 -0.115 1 1 185 . 9 1 1 A 26 26 ALA CA C 26 50.395 51.075 -0.680 1 1 186 . 9 1 1 A 26 26 ALA HA H 26 5.796 5.270 0.526 1 1 187 . 9 1 1 A 26 26 ALA CB C 26 22.868 22.398 0.470 1 1 191 . 9 1 1 A 26 26 ALA C C 26 175.694 175.477 0.217 1 1 192 . 9 1 1 A 27 27 TYR N N 27 117.541 118.062 -0.521 1 1 193 . 9 1 1 A 27 27 TYR H H 27 8.831 8.331 0.500 1 1 194 . 9 1 1 A 27 27 TYR CA C 27 56.610 55.962 0.648 1 1 195 . 9 1 1 A 27 27 TYR HA H 27 4.851 5.199 -0.348 1 1 196 . 9 1 1 A 27 27 TYR CB C 27 39.737 41.675 -1.938 1 1 206 . 9 1 1 A 27 27 TYR C C 27 173.299 173.853 -0.554 1 1 208 . 9 1 1 A 28 28 GLY N N 28 108.355 106.518 1.837 1 1 209 . 9 1 1 A 28 28 GLY H H 28 8.788 8.481 0.307 1 1 210 . 9 1 1 A 28 28 GLY CA C 28 44.056 45.684 -1.628 1 1 211 . 9 1 1 A 28 28 GLY HA3 H 28 4.304 4.407 -0.103 1 1 212 . 9 1 1 A 28 28 GLY C C 28 176.208 174.123 2.085 1 1 213 . 9 1 1 A 28 28 GLY HA2 H 28 5.047 4.344 0.703 1 1 214 . 9 1 1 A 29 29 THR N N 29 115.659 116.016 -0.357 1 1 215 . 9 1 1 A 29 29 THR H H 29 9.027 7.957 1.070 1 1 216 . 9 1 1 A 29 29 THR CA C 29 65.419 64.475 0.944 1 1 217 . 9 1 1 A 29 29 THR HA H 29 4.171 4.359 -0.188 1 1 218 . 9 1 1 A 29 29 THR CB C 29 68.659 70.027 -1.368 1 1 224 . 9 1 1 A 29 29 THR C C 29 178.141 176.465 1.676 1 1 225 . 9 1 1 A 30 30 GLY N N 30 107.400 107.831 -0.431 1 1 226 . 9 1 1 A 30 30 GLY H H 30 8.747 8.307 0.440 1 1 227 . 9 1 1 A 30 30 GLY CA C 30 46.719 45.885 0.834 1 1 228 . 9 1 1 A 30 30 GLY HA3 H 30 3.556 3.890 -0.334 1 1 229 . 9 1 1 A 30 30 GLY C C 30 173.896 174.696 -0.800 1 1 230 . 9 1 1 A 30 30 GLY HA2 H 30 4.483 3.837 0.646 1 1 231 . 9 1 1 A 31 31 LEU N N 31 118.075 120.745 -2.670 1 1 232 . 9 1 1 A 31 31 LEU H H 31 7.389 7.780 -0.391 1 1 233 . 9 1 1 A 31 31 LEU CA C 31 55.799 55.258 0.541 1 1 234 . 9 1 1 A 31 31 LEU HA H 31 3.778 4.293 -0.515 1 1 235 . 9 1 1 A 31 31 LEU CB C 31 41.564 42.042 -0.478 1 1 247 . 9 1 1 A 31 31 LEU C C 31 176.045 178.649 -2.604 1 1 249 . 9 1 1 A 32 32 GLU N N 32 112.872 116.179 -3.307 1 1 250 . 9 1 1 A 32 32 GLU H H 32 7.509 8.208 -0.699 1 1 251 . 9 1 1 A 32 32 GLU CA C 32 56.330 57.310 -0.980 1 1 252 . 9 1 1 A 32 32 GLU HA H 32 4.717 4.195 0.522 1 1 253 . 9 1 1 A 32 32 GLU CB C 32 31.924 29.055 2.869 1 1 257 . 9 1 1 A 32 32 GLU C C 32 177.958 176.653 1.305 1 1 260 . 9 1 1 A 33 33 GLY N N 33 107.880 107.292 0.588 1 1 261 . 9 1 1 A 33 33 GLY H H 33 7.822 7.358 0.464 1 1 262 . 9 1 1 A 33 33 GLY CA C 33 45.568 45.700 -0.132 1 1 263 . 9 1 1 A 33 33 GLY HA3 H 33 4.125 4.083 0.042 1 1 264 . 9 1 1 A 33 33 GLY C C 33 172.046 171.958 0.088 1 1 265 . 9 1 1 A 33 33 GLY HA2 H 33 4.661 4.072 0.589 1 1 266 . 9 1 1 A 34 34 GLY N N 34 105.841 107.954 -2.113 1 1 267 . 9 1 1 A 34 34 GLY H H 34 7.740 8.372 -0.632 1 1 268 . 9 1 1 A 34 34 GLY CA C 34 45.215 45.191 0.024 1 1 269 . 9 1 1 A 34 34 GLY HA3 H 34 3.988 4.147 -0.159 1 1 270 . 9 1 1 A 34 34 GLY C C 34 171.280 173.041 -1.761 1 1 271 . 9 1 1 A 34 34 GLY HA2 H 34 4.030 4.128 -0.098 1 1 272 . 9 1 1 A 35 35 THR N N 35 119.173 116.728 2.445 1 1 273 . 9 1 1 A 35 35 THR H H 35 9.363 8.652 0.711 1 1 274 . 9 1 1 A 35 35 THR CA C 35 60.844 60.749 0.095 1 1 275 . 9 1 1 A 35 35 THR HA H 35 5.177 4.892 0.285 1 1 276 . 9 1 1 A 35 35 THR CB C 35 72.095 69.491 2.604 1 1 282 . 9 1 1 A 35 35 THR C C 35 173.460 173.699 -0.239 1 1 283 . 9 1 1 A 36 36 THR N N 36 116.864 121.829 -4.965 1 1 284 . 9 1 1 A 36 36 THR H H 36 8.425 8.560 -0.135 1 1 285 . 9 1 1 A 36 36 THR CA C 36 62.841 64.779 -1.938 1 1 286 . 9 1 1 A 36 36 THR HA H 36 3.701 3.942 -0.241 1 1 287 . 9 1 1 A 36 36 THR CB C 36 68.447 68.145 0.302 1 1 293 . 9 1 1 A 36 36 THR C C 36 175.396 175.723 -0.327 1 1 294 . 9 1 1 A 37 37 GLY N N 37 107.461 114.509 -7.048 1 1 295 . 9 1 1 A 37 37 GLY H H 37 8.548 8.272 0.276 1 1 296 . 9 1 1 A 37 37 GLY CA C 37 45.434 44.941 0.493 1 1 297 . 9 1 1 A 37 37 GLY HA3 H 37 3.386 3.984 -0.598 1 1 298 . 9 1 1 A 37 37 GLY C C 37 172.598 173.461 -0.863 1 1 299 . 9 1 1 A 37 37 GLY HA2 H 37 4.024 3.983 0.041 1 1 300 . 9 1 1 A 38 38 ILE N N 38 122.313 122.387 -0.074 1 1 301 . 9 1 1 A 38 38 ILE H H 38 7.871 7.580 0.291 1 1 302 . 9 1 1 A 38 38 ILE CA C 38 58.566 59.593 -1.027 1 1 303 . 9 1 1 A 38 38 ILE HA H 38 4.274 4.491 -0.217 1 1 304 . 9 1 1 A 38 38 ILE CB C 38 38.476 40.086 -1.610 1 1 316 . 9 1 1 A 38 38 ILE C C 38 175.081 174.458 0.623 1 1 318 . 9 1 1 A 39 39 GLN N N 39 127.942 126.166 1.776 1 1 319 . 9 1 1 A 39 39 GLN H H 39 8.487 8.584 -0.097 1 1 320 . 9 1 1 A 39 39 GLN CA C 39 57.394 54.669 2.725 1 1 321 . 9 1 1 A 39 39 GLN HA H 39 4.312 4.657 -0.345 1 1 322 . 9 1 1 A 39 39 GLN CB C 39 31.057 29.918 1.139 1 1 329 . 9 1 1 A 39 39 GLN C C 39 176.011 174.939 1.072 1 1 332 . 9 1 1 A 40 40 SER N N 40 125.784 123.930 1.854 1 1 333 . 9 1 1 A 40 40 SER H H 40 9.167 8.154 1.013 1 1 334 . 9 1 1 A 40 40 SER CA C 40 58.188 57.279 0.909 1 1 335 . 9 1 1 A 40 40 SER HA H 40 4.633 5.206 -0.573 1 1 336 . 9 1 1 A 40 40 SER CB C 40 66.149 65.442 0.707 1 1 338 . 9 1 1 A 40 40 SER C C 40 172.625 172.870 -0.245 1 1 340 . 9 1 1 A 41 41 GLU N N 41 117.679 119.301 -1.622 1 1 341 . 9 1 1 A 41 41 GLU H H 41 8.773 9.205 -0.432 1 1 342 . 9 1 1 A 41 41 GLU CA C 41 54.060 54.810 -0.750 1 1 343 . 9 1 1 A 41 41 GLU HA H 41 5.629 5.111 0.518 1 1 344 . 9 1 1 A 41 41 GLU CB C 41 34.053 33.336 0.717 1 1 348 . 9 1 1 A 41 41 GLU C C 41 175.607 174.971 0.636 1 1 351 . 9 1 1 A 42 42 PHE N N 42 116.557 117.701 -1.144 1 1 352 . 9 1 1 A 42 42 PHE H H 42 8.753 7.858 0.895 1 1 353 . 9 1 1 A 42 42 PHE CA C 42 56.847 55.278 1.569 1 1 354 . 9 1 1 A 42 42 PHE HA H 42 4.743 5.576 -0.833 1 1 355 . 9 1 1 A 42 42 PHE CB C 42 40.908 42.248 -1.340 1 1 367 . 9 1 1 A 42 42 PHE C C 42 170.204 173.215 -3.011 1 1 369 . 9 1 1 A 43 43 PHE N N 43 118.643 121.533 -2.890 1 1 370 . 9 1 1 A 43 43 PHE H H 43 9.234 8.438 0.796 1 1 371 . 9 1 1 A 43 43 PHE CA C 43 57.292 57.580 -0.288 1 1 372 . 9 1 1 A 43 43 PHE HA H 43 5.041 4.788 0.253 1 1 373 . 9 1 1 A 43 43 PHE CB C 43 42.583 40.329 2.254 1 1 385 . 9 1 1 A 43 43 PHE C C 43 174.177 175.703 -1.526 1 1 387 . 9 1 1 A 44 44 ILE N N 44 120.124 120.607 -0.483 1 1 388 . 9 1 1 A 44 44 ILE H H 44 8.876 8.555 0.321 1 1 389 . 9 1 1 A 44 44 ILE CA C 44 59.698 60.311 -0.613 1 1 390 . 9 1 1 A 44 44 ILE HA H 44 4.717 5.001 -0.284 1 1 391 . 9 1 1 A 44 44 ILE CB C 44 40.591 39.851 0.740 1 1 403 . 9 1 1 A 44 44 ILE C C 44 174.483 175.494 -1.011 1 1 405 . 9 1 1 A 45 45 ASN N N 45 127.058 126.823 0.235 1 1 406 . 9 1 1 A 45 45 ASN H H 45 9.553 8.649 0.904 1 1 407 . 9 1 1 A 45 45 ASN CA C 45 52.099 52.858 -0.759 1 1 408 . 9 1 1 A 45 45 ASN HA H 45 5.380 4.733 0.647 1 1 409 . 9 1 1 A 45 45 ASN CB C 45 39.596 37.908 1.688 1 1 414 . 9 1 1 A 45 45 ASN C C 45 176.821 175.780 1.041 1 1 416 . 9 1 1 A 46 46 THR H H 46 9.223 8.934 0.289 1 1 417 . 9 1 1 A 46 46 THR CA C 46 61.534 60.881 0.653 1 1 418 . 9 1 1 A 46 46 THR HA H 46 4.368 4.578 -0.210 1 1 419 . 9 1 1 A 46 46 THR CB C 46 68.352 69.425 -1.073 1 1 425 . 9 1 1 A 46 46 THR C C 46 176.816 174.656 2.160 1 1 426 . 9 1 1 A 47 47 THR N N 47 116.732 115.085 1.647 1 1 427 . 9 1 1 A 47 47 THR H H 47 8.368 8.151 0.217 1 1 428 . 9 1 1 A 47 47 THR CA C 47 65.916 64.172 1.744 1 1 429 . 9 1 1 A 47 47 THR HA H 47 4.032 4.186 -0.154 1 1 430 . 9 1 1 A 47 47 THR CB C 47 69.870 69.026 0.844 1 1 436 . 9 1 1 A 47 47 THR C C 47 176.865 175.979 0.886 1 1 437 . 9 1 1 A 48 48 ARG N N 48 119.205 121.242 -2.037 1 1 438 . 9 1 1 A 48 48 ARG H H 48 8.785 7.640 1.145 1 1 439 . 9 1 1 A 48 48 ARG CA C 48 56.273 58.307 -2.034 1 1 440 . 9 1 1 A 48 48 ARG HA H 48 4.488 4.302 0.186 1 1 441 . 9 1 1 A 48 48 ARG CB C 48 30.862 30.727 0.135 1 1 447 . 9 1 1 A 48 48 ARG C C 48 176.314 178.511 -2.197 1 1 451 . 9 1 1 A 49 49 ALA N N 49 120.807 120.331 0.476 1 1 452 . 9 1 1 A 49 49 ALA H H 49 7.440 7.913 -0.473 1 1 453 . 9 1 1 A 49 49 ALA CA C 49 53.138 53.598 -0.460 1 1 454 . 9 1 1 A 49 49 ALA HA H 49 4.341 4.207 0.134 1 1 455 . 9 1 1 A 49 49 ALA CB C 49 22.427 19.643 2.784 1 1 459 . 9 1 1 A 49 49 ALA C C 49 177.914 178.317 -0.403 1 1 460 . 9 1 1 A 50 50 GLY N N 50 105.941 103.753 2.188 1 1 461 . 9 1 1 A 50 50 GLY H H 50 7.924 7.278 0.646 1 1 462 . 9 1 1 A 50 50 GLY CA C 50 44.229 44.573 -0.344 1 1 463 . 9 1 1 A 50 50 GLY HA3 H 50 4.325 4.115 0.210 1 1 464 . 9 1 1 A 50 50 GLY C C 50 171.089 172.725 -1.636 1 1 465 . 9 1 1 A 50 50 GLY HA2 H 50 3.948 4.082 -0.134 1 1 466 . 9 1 1 A 51 51 PRO CA C 51 63.140 62.894 0.246 1 1 467 . 9 1 1 A 51 51 PRO HA H 51 4.588 4.653 -0.065 1 1 468 . 9 1 1 A 51 51 PRO CB C 51 33.004 31.451 1.553 1 1 477 . 9 1 1 A 52 52 GLY CA C 52 45.195 46.043 -0.848 1 1 478 . 9 1 1 A 52 52 GLY HA3 H 52 3.275 4.255 -0.980 1 1 479 . 9 1 1 A 52 52 GLY HA2 H 52 3.852 4.102 -0.250 1 1 480 . 9 1 1 A 53 53 THR N N 53 114.003 112.223 1.780 1 1 481 . 9 1 1 A 53 53 THR H H 53 8.049 8.229 -0.180 1 1 482 . 9 1 1 A 53 53 THR CA C 53 62.352 61.151 1.201 1 1 483 . 9 1 1 A 53 53 THR HA H 53 4.436 5.234 -0.798 1 1 484 . 9 1 1 A 53 53 THR CB C 53 69.631 71.668 -2.037 1 1 490 . 9 1 1 A 54 54 LEU CA C 54 53.891 53.380 0.511 1 1 491 . 9 1 1 A 54 54 LEU HA H 54 5.077 5.047 0.030 1 1 492 . 9 1 1 A 54 54 LEU CB C 54 44.515 44.228 0.287 1 1 503 . 9 1 1 A 55 55 SER N N 55 120.726 119.904 0.822 1 1 504 . 9 1 1 A 55 55 SER H H 55 8.783 8.896 -0.113 1 1 505 . 9 1 1 A 55 55 SER CA C 55 56.249 56.992 -0.743 1 1 506 . 9 1 1 A 55 55 SER HA H 55 5.092 5.239 -0.147 1 1 507 . 9 1 1 A 55 55 SER CB C 55 65.032 65.224 -0.192 1 1 509 . 9 1 1 A 55 55 SER C C 55 173.165 172.921 0.244 1 1 511 . 9 1 1 A 56 56 VAL N N 56 126.234 121.586 4.648 1 1 512 . 9 1 1 A 56 56 VAL H H 56 8.336 8.927 -0.591 1 1 513 . 9 1 1 A 56 56 VAL CA C 56 60.515 59.724 0.791 1 1 514 . 9 1 1 A 56 56 VAL HA H 56 5.134 5.507 -0.373 1 1 515 . 9 1 1 A 56 56 VAL CB C 56 34.463 35.869 -1.406 1 1 520 . 9 1 1 A 56 56 VAL C C 56 174.718 174.890 -0.172 1 1 521 . 9 1 1 A 57 57 THR N N 57 120.539 117.903 2.636 1 1 522 . 9 1 1 A 57 57 THR H H 57 8.828 8.788 0.040 1 1 523 . 9 1 1 A 57 57 THR CA C 57 60.580 61.740 -1.160 1 1 524 . 9 1 1 A 57 57 THR HA H 57 5.132 4.996 0.136 1 1 525 . 9 1 1 A 57 57 THR CB C 57 72.187 71.854 0.333 1 1 531 . 9 1 1 A 57 57 THR C C 57 172.970 173.168 -0.198 1 1 532 . 9 1 1 A 58 58 ILE N N 58 123.949 129.008 -5.059 1 1 533 . 9 1 1 A 58 58 ILE H H 58 9.249 9.094 0.155 1 1 534 . 9 1 1 A 58 58 ILE CA C 58 61.297 59.955 1.342 1 1 535 . 9 1 1 A 58 58 ILE HA H 58 5.001 5.074 -0.073 1 1 536 . 9 1 1 A 58 58 ILE CB C 58 39.755 39.599 0.156 1 1 548 . 9 1 1 A 58 58 ILE C C 58 174.848 174.745 0.103 1 1 550 . 9 1 1 A 59 59 GLU N N 59 129.027 127.797 1.230 1 1 551 . 9 1 1 A 59 59 GLU H H 59 8.966 9.264 -0.298 1 1 552 . 9 1 1 A 59 59 GLU CA C 59 53.911 54.232 -0.321 1 1 553 . 9 1 1 A 59 59 GLU HA H 59 5.427 5.154 0.273 1 1 554 . 9 1 1 A 59 59 GLU CB C 59 33.843 33.191 0.652 1 1 558 . 9 1 1 A 59 59 GLU C C 59 175.342 174.950 0.392 1 1 561 . 9 1 1 A 60 60 GLY N N 60 110.765 110.119 0.646 1 1 562 . 9 1 1 A 60 60 GLY H H 60 8.597 8.211 0.386 1 1 563 . 9 1 1 A 60 60 GLY CA C 60 45.997 44.413 1.584 1 1 564 . 9 1 1 A 60 60 GLY HA3 H 60 3.908 3.835 0.073 1 1 565 . 9 1 1 A 60 60 GLY C C 60 171.205 174.046 -2.841 1 1 566 . 9 1 1 A 60 60 GLY HA2 H 60 3.685 3.249 0.436 1 1 567 . 9 1 1 A 61 61 PRO CA C 61 64.057 64.530 -0.473 1 1 568 . 9 1 1 A 61 61 PRO HA H 61 4.415 4.343 0.072 1 1 569 . 9 1 1 A 61 61 PRO CB C 61 32.143 32.039 0.104 1 1 575 . 9 1 1 A 61 61 PRO C C 61 175.925 176.459 -0.534 1 1 579 . 9 1 1 A 62 62 SER N N 62 108.413 113.963 -5.550 1 1 580 . 9 1 1 A 62 62 SER H H 62 7.144 8.045 -0.901 1 1 581 . 9 1 1 A 62 62 SER CA C 62 57.037 57.948 -0.911 1 1 582 . 9 1 1 A 62 62 SER HA H 62 4.596 4.895 -0.299 1 1 583 . 9 1 1 A 62 62 SER CB C 62 66.522 64.167 2.355 1 1 585 . 9 1 1 A 62 62 SER C C 62 172.446 173.502 -1.056 1 1 587 . 9 1 1 A 63 63 LYS N N 63 122.539 128.301 -5.762 1 1 588 . 9 1 1 A 63 63 LYS H H 63 8.620 8.727 -0.107 1 1 589 . 9 1 1 A 63 63 LYS CA C 63 56.407 56.804 -0.397 1 1 590 . 9 1 1 A 63 63 LYS HA H 63 4.267 4.387 -0.120 1 1 591 . 9 1 1 A 63 63 LYS CB C 63 32.576 33.228 -0.652 1 1 596 . 9 1 1 A 63 63 LYS C C 63 176.658 176.082 0.576 1 1 601 . 9 1 1 A 64 64 VAL N N 64 120.278 121.048 -0.770 1 1 602 . 9 1 1 A 64 64 VAL H H 64 8.554 8.834 -0.280 1 1 603 . 9 1 1 A 64 64 VAL CA C 64 60.425 60.244 0.181 1 1 604 . 9 1 1 A 64 64 VAL HA H 64 4.460 4.956 -0.496 1 1 605 . 9 1 1 A 64 64 VAL CB C 64 32.938 34.812 -1.874 1 1 615 . 9 1 1 A 64 64 VAL C C 64 176.629 174.048 2.581 1 1 616 . 9 1 1 A 65 65 LYS N N 65 121.529 126.468 -4.939 1 1 617 . 9 1 1 A 65 65 LYS H H 65 8.139 8.586 -0.447 1 1 618 . 9 1 1 A 65 65 LYS CA C 65 56.181 55.162 1.019 1 1 619 . 9 1 1 A 65 65 LYS HA H 65 4.474 4.383 0.091 1 1 620 . 9 1 1 A 65 65 LYS CB C 65 32.960 30.743 2.217 1 1 627 . 9 1 1 A 65 65 LYS C C 65 176.309 175.618 0.691 1 1 632 . 9 1 1 A 66 66 MET N N 66 125.382 119.039 6.343 1 1 633 . 9 1 1 A 66 66 MET H H 66 8.811 7.891 0.920 1 1 634 . 9 1 1 A 66 66 MET CA C 66 55.055 55.321 -0.266 1 1 635 . 9 1 1 A 66 66 MET HA H 66 5.393 4.453 0.940 1 1 636 . 9 1 1 A 66 66 MET CB C 66 37.398 33.728 3.670 1 1 644 . 9 1 1 A 66 66 MET C C 66 174.026 175.269 -1.243 1 1 647 . 9 1 1 A 67 67 ASP N N 67 122.714 119.056 3.658 1 1 648 . 9 1 1 A 67 67 ASP H H 67 8.995 8.265 0.730 1 1 649 . 9 1 1 A 67 67 ASP CA C 67 53.231 52.616 0.615 1 1 650 . 9 1 1 A 67 67 ASP HA H 67 4.854 5.315 -0.461 1 1 651 . 9 1 1 A 67 67 ASP CB C 67 44.980 44.728 0.252 1 1 654 . 9 1 1 A 68 68 CYS H H 68 8.412 8.742 -0.330 1 1 655 . 9 1 1 A 68 68 CYS CA C 68 56.390 57.736 -1.346 1 1 656 . 9 1 1 A 68 68 CYS HA H 68 5.288 4.814 0.474 1 1 657 . 9 1 1 A 68 68 CYS CB C 68 28.188 28.747 -0.559 1 1 660 . 9 1 1 A 69 69 GLN N N 69 125.044 120.684 4.360 1 1 661 . 9 1 1 A 69 69 GLN H H 69 9.116 7.495 1.621 1 1 662 . 9 1 1 A 69 69 GLN CA C 69 56.403 56.834 -0.431 1 1 663 . 9 1 1 A 69 69 GLN HA H 69 5.290 4.242 1.048 1 1 664 . 9 1 1 A 69 69 GLN CB C 69 32.962 29.325 3.637 1 1 671 . 9 1 1 A 70 70 GLU N N 70 125.781 121.194 4.587 1 1 672 . 9 1 1 A 70 70 GLU H H 70 8.979 8.666 0.313 1 1 673 . 9 1 1 A 70 70 GLU CA C 70 56.418 55.339 1.079 1 1 674 . 9 1 1 A 70 70 GLU HA H 70 4.029 4.909 -0.880 1 1 675 . 9 1 1 A 70 70 GLU CB C 70 30.585 31.669 -1.084 1 1 681 . 9 1 1 A 71 71 THR N N 71 118.158 113.164 4.994 1 1 682 . 9 1 1 A 71 71 THR H H 71 8.455 8.694 -0.239 1 1 683 . 9 1 1 A 71 71 THR CA C 71 59.209 58.402 0.807 1 1 684 . 9 1 1 A 71 71 THR HA H 71 4.902 5.007 -0.105 1 1 685 . 9 1 1 A 71 71 THR CB C 71 68.926 70.880 -1.954 1 1 691 . 9 1 1 A 72 72 PRO CA C 72 65.290 64.264 1.026 1 1 692 . 9 1 1 A 72 72 PRO HA H 72 4.296 4.520 -0.224 1 1 693 . 9 1 1 A 72 72 PRO CB C 72 31.848 31.672 0.176 1 1 699 . 9 1 1 A 72 72 PRO C C 72 177.476 177.764 -0.288 1 1 703 . 9 1 1 A 73 73 GLU N N 73 112.293 117.902 -5.609 1 1 704 . 9 1 1 A 73 73 GLU H H 73 7.562 8.562 -1.000 1 1 705 . 9 1 1 A 73 73 GLU CA C 73 55.577 58.160 -2.583 1 1 706 . 9 1 1 A 73 73 GLU HA H 73 4.370 4.224 0.146 1 1 707 . 9 1 1 A 73 73 GLU CB C 73 30.787 30.909 -0.122 1 1 711 . 9 1 1 A 73 73 GLU C C 73 174.438 176.664 -2.226 1 1 714 . 9 1 1 A 74 74 GLY N N 74 109.223 107.040 2.183 1 1 715 . 9 1 1 A 74 74 GLY H H 74 7.324 7.212 0.112 1 1 716 . 9 1 1 A 74 74 GLY CA C 74 47.146 45.649 1.497 1 1 717 . 9 1 1 A 74 74 GLY HA3 H 74 3.551 4.059 -0.508 1 1 718 . 9 1 1 A 74 74 GLY C C 74 172.589 172.922 -0.333 1 1 719 . 9 1 1 A 74 74 GLY HA2 H 74 4.949 4.048 0.901 1 1 720 . 9 1 1 A 75 75 TYR N N 75 123.117 118.309 4.808 1 1 721 . 9 1 1 A 75 75 TYR H H 75 8.883 7.791 1.092 1 1 722 . 9 1 1 A 75 75 TYR CA C 75 57.566 58.373 -0.807 1 1 723 . 9 1 1 A 75 75 TYR HA H 75 5.171 4.772 0.399 1 1 724 . 9 1 1 A 75 75 TYR CB C 75 44.111 41.449 2.662 1 1 734 . 9 1 1 A 75 75 TYR C C 75 173.925 173.195 0.730 1 1 736 . 9 1 1 A 76 76 LYS N N 76 124.633 127.587 -2.954 1 1 737 . 9 1 1 A 76 76 LYS H H 76 9.390 8.578 0.812 1 1 738 . 9 1 1 A 76 76 LYS CA C 76 55.055 54.111 0.944 1 1 739 . 9 1 1 A 76 76 LYS HA H 76 4.594 4.587 0.007 1 1 740 . 9 1 1 A 76 76 LYS CB C 76 35.124 35.600 -0.476 1 1 748 . 9 1 1 A 76 76 LYS C C 76 174.069 173.864 0.205 1 1 753 . 9 1 1 A 77 77 VAL N N 77 126.947 124.629 2.318 1 1 754 . 9 1 1 A 77 77 VAL H H 77 8.607 7.462 1.145 1 1 755 . 9 1 1 A 77 77 VAL CA C 77 60.894 60.746 0.148 1 1 756 . 9 1 1 A 77 77 VAL HA H 77 4.280 4.432 -0.152 1 1 757 . 9 1 1 A 77 77 VAL CB C 77 32.115 34.244 -2.129 1 1 767 . 9 1 1 A 77 77 VAL C C 77 173.586 174.548 -0.962 1 1 768 . 9 1 1 A 78 78 MET N N 78 123.986 126.332 -2.346 1 1 769 . 9 1 1 A 78 78 MET H H 78 8.410 8.773 -0.363 1 1 770 . 9 1 1 A 78 78 MET CA C 78 53.236 53.593 -0.357 1 1 771 . 9 1 1 A 78 78 MET HA H 78 5.290 5.322 -0.032 1 1 772 . 9 1 1 A 78 78 MET CB C 78 36.873 33.851 3.022 1 1 780 . 9 1 1 A 78 78 MET C C 78 174.665 174.980 -0.315 1 1 783 . 9 1 1 A 79 79 TYR N N 79 117.488 119.985 -2.497 1 1 784 . 9 1 1 A 79 79 TYR H H 79 8.739 8.210 0.529 1 1 785 . 9 1 1 A 79 79 TYR CA C 79 56.011 55.682 0.329 1 1 786 . 9 1 1 A 79 79 TYR HA H 79 5.654 5.442 0.212 1 1 787 . 9 1 1 A 79 79 TYR CB C 79 41.549 41.866 -0.317 1 1 797 . 9 1 1 A 79 79 TYR C C 79 172.927 173.211 -0.284 1 1 799 . 9 1 1 A 80 80 THR H H 80 8.383 8.893 -0.510 1 1 800 . 9 1 1 A 80 80 THR CA C 80 58.611 59.156 -0.545 1 1 801 . 9 1 1 A 80 80 THR HA H 80 4.978 4.626 0.352 1 1 802 . 9 1 1 A 80 80 THR CB C 80 70.258 70.211 0.047 1 1 808 . 9 1 1 A 81 81 PRO CA C 81 61.531 62.922 -1.391 1 1 809 . 9 1 1 A 81 81 PRO HA H 81 4.532 4.766 -0.234 1 1 810 . 9 1 1 A 81 81 PRO CB C 81 32.774 32.621 0.153 1 1 819 . 9 1 1 A 82 82 MET N N 82 117.590 118.777 -1.187 1 1 820 . 9 1 1 A 82 82 MET H H 82 8.299 8.925 -0.626 1 1 821 . 9 1 1 A 82 82 MET CA C 82 53.882 56.502 -2.620 1 1 822 . 9 1 1 A 82 82 MET HA H 82 4.851 4.630 0.221 1 1 823 . 9 1 1 A 82 82 MET CB C 82 33.337 34.706 -1.369 1 1 831 . 9 1 1 A 82 82 MET C C 82 174.339 176.063 -1.724 1 1 834 . 9 1 1 A 83 83 ALA N N 83 119.196 120.310 -1.114 1 1 835 . 9 1 1 A 83 83 ALA H H 83 7.076 7.894 -0.818 1 1 836 . 9 1 1 A 83 83 ALA CA C 83 49.425 49.514 -0.089 1 1 837 . 9 1 1 A 83 83 ALA HA H 83 4.791 4.743 0.048 1 1 838 . 9 1 1 A 83 83 ALA CB C 83 20.682 21.687 -1.005 1 1 842 . 9 1 1 A 83 83 ALA C C 83 174.364 174.958 -0.594 1 1 843 . 9 1 1 A 84 84 PRO CA C 84 62.540 63.213 -0.673 1 1 844 . 9 1 1 A 84 84 PRO HA H 84 4.244 4.505 -0.261 1 1 845 . 9 1 1 A 84 84 PRO CB C 84 32.615 33.118 -0.503 1 1 851 . 9 1 1 A 84 84 PRO C C 84 174.214 176.166 -1.952 1 1 855 . 9 1 1 A 85 85 GLY N N 85 105.436 108.411 -2.975 1 1 856 . 9 1 1 A 85 85 GLY H H 85 8.855 8.011 0.844 1 1 857 . 9 1 1 A 85 85 GLY CA C 85 44.156 44.462 -0.306 1 1 858 . 9 1 1 A 85 85 GLY HA3 H 85 3.761 4.252 -0.491 1 1 859 . 9 1 1 A 85 85 GLY C C 85 171.801 172.602 -0.801 1 1 860 . 9 1 1 A 85 85 GLY HA2 H 85 4.515 4.206 0.309 1 1 861 . 9 1 1 A 86 86 ASN N N 86 119.042 118.565 0.477 1 1 862 . 9 1 1 A 86 86 ASN H H 86 8.573 8.589 -0.016 1 1 863 . 9 1 1 A 86 86 ASN CA C 86 52.499 51.815 0.684 1 1 864 . 9 1 1 A 86 86 ASN HA H 86 5.517 5.757 -0.240 1 1 865 . 9 1 1 A 86 86 ASN CB C 86 39.390 40.374 -0.984 1 1 870 . 9 1 1 A 86 86 ASN C C 86 174.453 173.850 0.603 1 1 872 . 9 1 1 A 87 87 TYR N N 87 122.992 122.195 0.797 1 1 873 . 9 1 1 A 87 87 TYR H H 87 9.369 8.834 0.535 1 1 874 . 9 1 1 A 87 87 TYR CA C 87 56.366 55.856 0.510 1 1 875 . 9 1 1 A 87 87 TYR HA H 87 5.140 5.602 -0.462 1 1 876 . 9 1 1 A 87 87 TYR CB C 87 40.267 41.328 -1.061 1 1 886 . 9 1 1 A 87 87 TYR C C 87 174.332 174.286 0.046 1 1 888 . 9 1 1 A 88 88 LEU N N 88 124.720 124.520 0.200 1 1 889 . 9 1 1 A 88 88 LEU H H 88 9.306 8.667 0.639 1 1 890 . 9 1 1 A 88 88 LEU CA C 88 53.426 53.520 -0.094 1 1 891 . 9 1 1 A 88 88 LEU HA H 88 5.253 5.504 -0.251 1 1 892 . 9 1 1 A 88 88 LEU CB C 88 44.487 45.487 -1.000 1 1 904 . 9 1 1 A 88 88 LEU C C 88 177.074 174.486 2.588 1 1 906 . 9 1 1 A 89 89 ILE N N 89 130.469 127.602 2.867 1 1 907 . 9 1 1 A 89 89 ILE H H 89 9.807 9.442 0.365 1 1 908 . 9 1 1 A 89 89 ILE CA C 89 60.792 60.211 0.581 1 1 909 . 9 1 1 A 89 89 ILE HA H 89 4.851 4.956 -0.105 1 1 910 . 9 1 1 A 89 89 ILE CB C 89 39.662 39.584 0.078 1 1 922 . 9 1 1 A 89 89 ILE C C 89 175.605 175.076 0.529 1 1 924 . 9 1 1 A 90 90 SER N N 90 123.845 124.782 -0.937 1 1 925 . 9 1 1 A 90 90 SER H H 90 9.540 9.249 0.291 1 1 926 . 9 1 1 A 90 90 SER CA C 90 58.036 57.965 0.071 1 1 927 . 9 1 1 A 90 90 SER HA H 90 5.199 5.198 0.001 1 1 928 . 9 1 1 A 90 90 SER CB C 90 64.133 64.822 -0.689 1 1 930 . 9 1 1 A 90 90 SER C C 90 173.566 173.347 0.219 1 1 932 . 9 1 1 A 91 91 VAL N N 91 128.427 123.430 4.997 1 1 933 . 9 1 1 A 91 91 VAL H H 91 9.918 8.693 1.225 1 1 934 . 9 1 1 A 91 91 VAL CA C 91 61.447 61.588 -0.141 1 1 935 . 9 1 1 A 91 91 VAL HA H 91 4.837 5.114 -0.277 1 1 936 . 9 1 1 A 91 91 VAL CB C 91 33.761 35.024 -1.263 1 1 946 . 9 1 1 A 91 91 VAL C C 91 173.296 174.092 -0.796 1 1 947 . 9 1 1 A 92 92 LYS N N 92 125.779 129.891 -4.112 1 1 948 . 9 1 1 A 92 92 LYS H H 92 8.892 9.094 -0.202 1 1 949 . 9 1 1 A 92 92 LYS CA C 92 54.468 54.202 0.266 1 1 950 . 9 1 1 A 92 92 LYS HA H 92 5.065 5.473 -0.408 1 1 951 . 9 1 1 A 92 92 LYS CB C 92 36.106 35.889 0.217 1 1 959 . 9 1 1 A 92 92 LYS C C 92 175.189 174.493 0.696 1 1 964 . 9 1 1 A 93 93 TYR N N 93 120.251 126.741 -6.490 1 1 965 . 9 1 1 A 93 93 TYR H H 93 8.061 8.605 -0.544 1 1 966 . 9 1 1 A 93 93 TYR CA C 93 56.884 57.522 -0.638 1 1 967 . 9 1 1 A 93 93 TYR HA H 93 5.522 4.948 0.574 1 1 968 . 9 1 1 A 93 93 TYR CB C 93 44.120 42.010 2.110 1 1 978 . 9 1 1 A 93 93 TYR C C 93 175.517 175.383 0.134 1 1 980 . 9 1 1 A 94 94 GLY N N 94 114.148 113.950 0.198 1 1 981 . 9 1 1 A 94 94 GLY H H 94 8.274 8.975 -0.701 1 1 982 . 9 1 1 A 94 94 GLY CA C 94 45.959 46.773 -0.814 1 1 983 . 9 1 1 A 94 94 GLY HA3 H 94 3.705 3.532 0.173 1 1 984 . 9 1 1 A 94 94 GLY C C 94 173.595 174.245 -0.650 1 1 985 . 9 1 1 A 94 94 GLY HA2 H 94 3.877 3.228 0.649 1 1 986 . 9 1 1 A 95 95 GLY N N 95 107.010 110.012 -3.002 1 1 987 . 9 1 1 A 95 95 GLY H H 95 7.452 8.428 -0.976 1 1 988 . 9 1 1 A 95 95 GLY CA C 95 43.954 44.740 -0.786 1 1 989 . 9 1 1 A 95 95 GLY HA3 H 95 3.618 3.998 -0.380 1 1 990 . 9 1 1 A 95 95 GLY C C 95 172.825 174.046 -1.221 1 1 991 . 9 1 1 A 95 95 GLY HA2 H 95 4.507 3.974 0.533 1 1 992 . 9 1 1 A 96 96 PRO CA C 96 63.221 63.794 -0.573 1 1 993 . 9 1 1 A 96 96 PRO HA H 96 4.413 4.546 -0.133 1 1 994 . 9 1 1 A 96 96 PRO CB C 96 30.955 31.965 -1.010 1 1 1000 . 9 1 1 A 96 96 PRO C C 96 175.901 176.209 -0.308 1 1 1004 . 9 1 1 A 97 97 ASN N N 97 119.942 117.745 2.197 1 1 1005 . 9 1 1 A 97 97 ASN H H 97 8.172 8.058 0.114 1 1 1006 . 9 1 1 A 97 97 ASN CA C 97 52.914 52.769 0.145 1 1 1007 . 9 1 1 A 97 97 ASN HA H 97 4.864 4.621 0.243 1 1 1008 . 9 1 1 A 97 97 ASN CB C 97 39.806 38.595 1.211 1 1 1013 . 9 1 1 A 97 97 ASN C C 97 174.285 175.025 -0.740 1 1 1015 . 9 1 1 A 98 98 HIS N N 98 121.803 123.683 -1.880 1 1 1016 . 9 1 1 A 98 98 HIS H H 98 8.456 8.354 0.102 1 1 1017 . 9 1 1 A 98 98 HIS CA C 98 58.023 54.996 3.027 1 1 1018 . 9 1 1 A 98 98 HIS HA H 98 4.475 4.876 -0.401 1 1 1019 . 9 1 1 A 98 98 HIS CB C 98 33.382 31.502 1.880 1 1 1025 . 9 1 1 A 98 98 HIS C C 98 177.938 175.341 2.597 1 1 1027 . 9 1 1 A 99 99 ILE N N 99 115.599 116.607 -1.008 1 1 1028 . 9 1 1 A 99 99 ILE H H 99 8.237 8.163 0.074 1 1 1029 . 9 1 1 A 99 99 ILE CA C 99 60.895 60.121 0.774 1 1 1030 . 9 1 1 A 99 99 ILE HA H 99 4.545 4.291 0.254 1 1 1031 . 9 1 1 A 99 99 ILE CB C 99 38.675 39.950 -1.275 1 1 1043 . 9 1 1 A 99 99 ILE C C 99 176.165 175.835 0.330 1 1 1045 . 9 1 1 A 100 100 VAL H H 100 8.389 8.436 -0.047 1 1 1046 . 9 1 1 A 100 100 VAL CA C 100 65.835 64.289 1.546 1 1 1047 . 9 1 1 A 100 100 VAL HA H 100 3.673 3.974 -0.301 1 1 1048 . 9 1 1 A 100 100 VAL CB C 100 31.169 32.097 -0.928 1 1 1058 . 9 1 1 A 101 101 GLY N N 101 116.014 115.658 0.356 1 1 1059 . 9 1 1 A 101 101 GLY H H 101 8.297 8.941 -0.644 1 1 1060 . 9 1 1 A 101 101 GLY CA C 101 44.626 44.929 -0.303 1 1 1061 . 9 1 1 A 101 101 GLY HA3 H 101 3.227 4.060 -0.833 1 1 1062 . 9 1 1 A 101 101 GLY C C 101 171.863 173.918 -2.055 1 1 1063 . 9 1 1 A 101 101 GLY HA2 H 101 4.207 3.981 0.226 1 1 1064 . 9 1 1 A 102 102 SER N N 102 111.977 117.221 -5.244 1 1 1065 . 9 1 1 A 102 102 SER H H 102 7.304 7.671 -0.367 1 1 1066 . 9 1 1 A 102 102 SER CA C 102 54.570 56.608 -2.038 1 1 1067 . 9 1 1 A 102 102 SER HA H 102 3.915 3.523 0.392 1 1 1068 . 9 1 1 A 102 102 SER CB C 102 62.569 63.002 -0.433 1 1 1071 . 9 1 1 A 103 103 PRO CA C 103 62.215 62.148 0.067 1 1 1072 . 9 1 1 A 103 103 PRO HA H 103 5.475 4.329 1.146 1 1 1073 . 9 1 1 A 103 103 PRO CB C 103 33.552 32.330 1.222 1 1 1079 . 9 1 1 A 103 103 PRO C C 103 175.646 174.821 0.825 1 1 1083 . 9 1 1 A 104 104 PHE N N 104 123.291 119.676 3.615 1 1 1084 . 9 1 1 A 104 104 PHE H H 104 9.465 8.346 1.119 1 1 1085 . 9 1 1 A 104 104 PHE CA C 104 57.015 56.629 0.386 1 1 1086 . 9 1 1 A 104 104 PHE HA H 104 4.531 4.915 -0.384 1 1 1087 . 9 1 1 A 104 104 PHE CB C 104 40.607 40.171 0.436 1 1 1099 . 9 1 1 A 104 104 PHE C C 104 175.305 174.711 0.594 1 1 1101 . 9 1 1 A 105 105 LYS N N 105 123.989 124.826 -0.837 1 1 1102 . 9 1 1 A 105 105 LYS H H 105 8.712 8.961 -0.249 1 1 1103 . 9 1 1 A 105 105 LYS CA C 105 55.868 55.384 0.484 1 1 1104 . 9 1 1 A 105 105 LYS HA H 105 4.913 4.779 0.134 1 1 1105 . 9 1 1 A 105 105 LYS CB C 105 32.762 32.741 0.021 1 1 1113 . 9 1 1 A 105 105 LYS C C 105 174.065 175.652 -1.587 1 1 1118 . 9 1 1 A 106 106 ALA N N 106 129.654 128.383 1.271 1 1 1119 . 9 1 1 A 106 106 ALA H H 106 8.964 8.773 0.191 1 1 1120 . 9 1 1 A 106 106 ALA CA C 106 50.325 51.052 -0.727 1 1 1121 . 9 1 1 A 106 106 ALA HA H 106 4.497 5.108 -0.611 1 1 1122 . 9 1 1 A 106 106 ALA CB C 106 20.496 21.597 -1.101 1 1 1126 . 9 1 1 A 106 106 ALA C C 106 176.111 176.045 0.066 1 1 1127 . 9 1 1 A 107 107 LYS N N 107 124.155 121.664 2.491 1 1 1128 . 9 1 1 A 107 107 LYS H H 107 7.955 8.690 -0.735 1 1 1129 . 9 1 1 A 107 107 LYS CA C 107 55.904 54.747 1.157 1 1 1130 . 9 1 1 A 107 107 LYS HA H 107 4.950 5.087 -0.137 1 1 1131 . 9 1 1 A 107 107 LYS CB C 107 33.755 35.336 -1.581 1 1 1139 . 9 1 1 A 107 107 LYS C C 107 175.350 174.775 0.575 1 1 1144 . 9 1 1 A 108 108 VAL N N 108 128.726 127.748 0.978 1 1 1145 . 9 1 1 A 108 108 VAL H H 108 9.373 8.834 0.539 1 1 1146 . 9 1 1 A 108 108 VAL CA C 108 60.804 61.628 -0.824 1 1 1147 . 9 1 1 A 108 108 VAL HA H 108 4.851 4.813 0.038 1 1 1148 . 9 1 1 A 108 108 VAL CB C 108 33.175 32.559 0.616 1 1 1158 . 9 1 1 A 108 108 VAL C C 108 177.017 175.393 1.624 1 1 1159 . 9 1 1 A 109 109 THR N N 109 121.067 117.206 3.861 1 1 1160 . 9 1 1 A 109 109 THR H H 109 8.527 8.534 -0.007 1 1 1161 . 9 1 1 A 109 109 THR CA C 109 60.138 59.824 0.314 1 1 1162 . 9 1 1 A 109 109 THR HA H 109 4.864 4.961 -0.097 1 1 1163 . 9 1 1 A 109 109 THR CB C 109 70.960 71.489 -0.529 1 1 1169 . 9 1 1 A 109 109 THR C C 109 173.130 173.044 0.086 1 1 1170 . 9 1 1 A 110 110 GLY N N 110 106.893 108.792 -1.899 1 1 1171 . 9 1 1 A 110 110 GLY H H 110 8.404 8.499 -0.095 1 1 1172 . 9 1 1 A 110 110 GLY CA C 110 43.888 44.649 -0.761 1 1 1173 . 9 1 1 A 110 110 GLY HA3 H 110 3.851 4.199 -0.348 1 1 1174 . 9 1 1 A 110 110 GLY C C 110 173.870 173.552 0.318 1 1 1175 . 9 1 1 A 110 110 GLY HA2 H 110 4.773 4.195 0.578 1 1 1176 . 9 1 1 A 111 111 GLN N N 111 116.999 120.205 -3.206 1 1 1177 . 9 1 1 A 111 111 GLN H H 111 8.234 8.415 -0.181 1 1 1178 . 9 1 1 A 111 111 GLN CA C 111 55.230 56.356 -1.126 1 1 1179 . 9 1 1 A 111 111 GLN HA H 111 4.269 4.243 0.026 1 1 1180 . 9 1 1 A 111 111 GLN CB C 111 30.118 28.800 1.318 1 1 1187 . 9 1 1 A 111 111 GLN C C 111 176.550 175.676 0.874 1 1 1190 . 9 1 1 A 112 112 ARG N N 112 122.131 123.482 -1.351 1 1 1191 . 9 1 1 A 112 112 ARG H H 112 8.832 8.428 0.404 1 1 1192 . 9 1 1 A 112 112 ARG CA C 112 57.384 56.254 1.130 1 1 1193 . 9 1 1 A 112 112 ARG HA H 112 4.300 4.181 0.119 1 1 1194 . 9 1 1 A 112 112 ARG CB C 112 30.059 30.614 -0.555 1 1 1200 . 9 1 1 A 112 112 ARG C C 112 175.836 175.737 0.099 1 1 1204 . 9 1 1 A 113 113 LEU N N 113 126.764 121.987 4.777 1 1 1205 . 9 1 1 A 113 113 LEU H H 113 8.424 8.027 0.397 1 1 1206 . 9 1 1 A 113 113 LEU CA C 113 54.919 53.205 1.714 1 1 1207 . 9 1 1 A 113 113 LEU HA H 113 4.517 5.106 -0.589 1 1 1208 . 9 1 1 A 113 113 LEU CB C 113 42.706 45.298 -2.592 1 1 1220 . 9 1 1 A 113 113 LEU C C 113 176.521 176.542 -0.021 1 1 1222 . 9 1 1 A 116 116 PRO CA C 116 63.729 63.863 -0.134 1 1 1223 . 9 1 1 A 116 116 PRO HA H 116 4.436 4.474 -0.038 1 1 1224 . 9 1 1 A 116 116 PRO CB C 116 32.182 32.062 0.120 1 1 1233 . 9 1 1 A 117 117 GLY N N 117 110.092 104.646 5.446 1 1 1234 . 9 1 1 A 117 117 GLY H H 117 8.493 7.262 1.231 1 1 1235 . 9 1 1 A 118 118 SER CA C 118 58.420 61.455 -3.035 1 1 1236 . 9 1 1 A 118 118 SER HA H 118 4.454 4.307 0.147 1 1 1237 . 9 1 1 A 118 118 SER CB C 118 64.014 63.361 0.653 1 1 1239 . 9 1 1 A 118 118 SER C C 118 174.495 175.603 -1.108 1 1 1241 . 9 1 1 A 119 119 ALA N N 119 125.244 123.212 2.032 1 1 1242 . 9 1 1 A 119 119 ALA H H 119 8.365 7.603 0.762 1 1 1243 . 9 1 1 A 119 119 ALA CA C 119 52.697 53.140 -0.443 1 1 1244 . 9 1 1 A 119 119 ALA HA H 119 4.333 4.189 0.144 1 1 1245 . 9 1 1 A 119 119 ALA CB C 119 19.378 19.150 0.228 1 1 1249 . 9 1 1 A 119 119 ALA C C 119 177.362 177.304 0.058 1 1 1250 . 9 1 1 A 120 120 ASN N N 120 117.122 121.714 -4.592 1 1 1251 . 9 1 1 A 120 120 ASN H H 120 8.311 8.500 -0.189 1 1 1252 . 9 1 1 A 120 120 ASN CA C 120 53.198 52.419 0.779 1 1 1253 . 9 1 1 A 120 120 ASN HA H 120 4.659 4.846 -0.187 1 1 1254 . 9 1 1 A 120 120 ASN CB C 120 38.852 39.438 -0.586 1 1 1259 . 9 1 1 A 120 120 ASN C C 120 175.112 174.625 0.487 1 1 1261 . 9 1 1 A 122 122 THR CA C 122 61.947 61.343 0.604 1 1 1262 . 9 1 1 A 122 122 THR HA H 122 4.197 4.814 -0.617 1 1 1263 . 9 1 1 A 122 122 THR CB C 122 69.949 70.357 -0.408 1 1 1 . 10 1 1 A 9 9 LYS N N 9 120.806 125.238 -4.432 1 1 2 . 10 1 1 A 9 9 LYS H H 9 8.548 8.603 -0.055 1 1 3 . 10 1 1 A 9 9 LYS CA C 9 56.358 56.302 0.056 1 1 4 . 10 1 1 A 9 9 LYS HA H 9 4.261 4.469 -0.208 1 1 5 . 10 1 1 A 9 9 LYS CB C 9 32.673 33.587 -0.914 1 1 17 . 10 1 1 A 10 10 VAL HA H 10 4.307 4.694 -0.387 1 1 18 . 10 1 1 A 10 10 VAL CB C 10 34.845 33.961 0.884 1 1 24 . 10 1 1 A 11 11 ARG N N 11 125.757 127.376 -1.619 1 1 25 . 10 1 1 A 11 11 ARG H H 11 8.546 8.521 0.025 1 1 26 . 10 1 1 A 11 11 ARG CA C 11 55.966 56.132 -0.166 1 1 27 . 10 1 1 A 11 11 ARG HA H 11 4.463 4.462 0.001 1 1 28 . 10 1 1 A 11 11 ARG CB C 11 30.834 30.641 0.193 1 1 37 . 10 1 1 A 12 12 VAL CA C 12 62.370 59.691 2.679 1 1 38 . 10 1 1 A 12 12 VAL HA H 12 4.205 4.749 -0.544 1 1 39 . 10 1 1 A 12 12 VAL CB C 12 32.571 35.846 -3.275 1 1 48 . 10 1 1 A 13 13 GLY N N 13 113.294 115.577 -2.283 1 1 49 . 10 1 1 A 13 13 GLY H H 13 8.608 8.621 -0.013 1 1 50 . 10 1 1 A 13 13 GLY CA C 13 44.973 44.912 0.061 1 1 51 . 10 1 1 A 13 13 GLY HA3 H 13 4.024 4.088 -0.064 1 1 52 . 10 1 1 A 13 13 GLY HA2 H 13 3.891 4.088 -0.197 1 1 53 . 10 1 1 A 14 14 GLU N N 14 120.644 121.098 -0.454 1 1 54 . 10 1 1 A 14 14 GLU H H 14 8.139 8.415 -0.276 1 1 55 . 10 1 1 A 14 14 GLU CA C 14 54.101 54.046 0.055 1 1 56 . 10 1 1 A 14 14 GLU HA H 14 4.626 4.675 -0.049 1 1 57 . 10 1 1 A 14 14 GLU CB C 14 30.026 29.554 0.472 1 1 63 . 10 1 1 A 15 15 PRO CA C 15 63.731 65.098 -1.367 1 1 64 . 10 1 1 A 15 15 PRO HA H 15 4.319 4.365 -0.046 1 1 65 . 10 1 1 A 15 15 PRO CB C 15 31.974 32.177 -0.203 1 1 71 . 10 1 1 A 15 15 PRO C C 15 177.450 176.419 1.031 1 1 75 . 10 1 1 A 16 16 GLY N N 16 109.768 104.487 5.281 1 1 76 . 10 1 1 A 16 16 GLY H H 16 8.577 7.940 0.637 1 1 77 . 10 1 1 A 16 16 GLY CA C 16 45.424 44.828 0.596 1 1 78 . 10 1 1 A 16 16 GLY HA3 H 16 3.804 4.065 -0.261 1 1 79 . 10 1 1 A 16 16 GLY C C 16 174.160 173.019 1.141 1 1 80 . 10 1 1 A 16 16 GLY HA2 H 16 4.086 4.064 0.022 1 1 81 . 10 1 1 A 17 17 GLN N N 17 119.726 121.700 -1.974 1 1 82 . 10 1 1 A 17 17 GLN H H 17 7.868 8.512 -0.644 1 1 83 . 10 1 1 A 17 17 GLN CA C 17 55.403 54.564 0.839 1 1 84 . 10 1 1 A 17 17 GLN HA H 17 4.389 4.863 -0.474 1 1 85 . 10 1 1 A 17 17 GLN CB C 17 29.894 31.196 -1.302 1 1 92 . 10 1 1 A 17 17 GLN C C 17 175.290 174.913 0.377 1 1 95 . 10 1 1 A 18 18 ALA N N 18 125.593 126.442 -0.849 1 1 96 . 10 1 1 A 18 18 ALA H H 18 8.469 8.824 -0.355 1 1 97 . 10 1 1 A 18 18 ALA CA C 18 52.389 51.014 1.375 1 1 98 . 10 1 1 A 18 18 ALA HA H 18 4.448 5.205 -0.757 1 1 99 . 10 1 1 A 18 18 ALA CB C 18 19.959 21.237 -1.278 1 1 103 . 10 1 1 A 18 18 ALA C C 18 177.464 176.826 0.638 1 1 104 . 10 1 1 A 19 19 GLY N N 19 109.162 107.315 1.847 1 1 105 . 10 1 1 A 19 19 GLY H H 19 8.294 8.465 -0.171 1 1 106 . 10 1 1 A 19 19 GLY CA C 19 45.270 45.691 -0.421 1 1 107 . 10 1 1 A 19 19 GLY HA3 H 19 3.853 4.383 -0.530 1 1 108 . 10 1 1 A 19 19 GLY C C 19 173.012 172.632 0.380 1 1 109 . 10 1 1 A 19 19 GLY HA2 H 19 4.207 4.305 -0.098 1 1 110 . 10 1 1 A 20 20 ASN N N 20 118.861 121.886 -3.025 1 1 111 . 10 1 1 A 20 20 ASN H H 20 8.479 8.725 -0.246 1 1 112 . 10 1 1 A 20 20 ASN CA C 20 50.128 49.403 0.725 1 1 113 . 10 1 1 A 20 20 ASN HA H 20 5.236 5.258 -0.022 1 1 114 . 10 1 1 A 20 20 ASN CB C 20 39.697 41.148 -1.451 1 1 119 . 10 1 1 A 20 20 ASN C C 20 174.482 174.702 -0.220 1 1 121 . 10 1 1 A 21 21 PRO CA C 21 64.588 65.080 -0.492 1 1 122 . 10 1 1 A 21 21 PRO HA H 21 4.312 4.077 0.235 1 1 123 . 10 1 1 A 21 21 PRO CB C 21 31.950 32.101 -0.151 1 1 129 . 10 1 1 A 21 21 PRO C C 21 177.141 178.157 -1.016 1 1 133 . 10 1 1 A 22 22 ALA N N 22 118.898 118.854 0.044 1 1 134 . 10 1 1 A 22 22 ALA H H 22 7.918 8.256 -0.338 1 1 135 . 10 1 1 A 22 22 ALA CA C 22 53.499 55.376 -1.877 1 1 136 . 10 1 1 A 22 22 ALA HA H 22 4.386 4.038 0.348 1 1 137 . 10 1 1 A 22 22 ALA CB C 22 18.288 18.425 -0.137 1 1 141 . 10 1 1 A 22 22 ALA C C 22 178.115 180.456 -2.341 1 1 142 . 10 1 1 A 23 23 LEU N N 23 116.219 117.827 -1.608 1 1 143 . 10 1 1 A 23 23 LEU H H 23 7.696 8.050 -0.354 1 1 144 . 10 1 1 A 23 23 LEU CA C 23 53.851 57.939 -4.088 1 1 145 . 10 1 1 A 23 23 LEU HA H 23 4.475 3.883 0.592 1 1 146 . 10 1 1 A 23 23 LEU CB C 23 41.958 41.703 0.255 1 1 158 . 10 1 1 A 23 23 LEU C C 23 176.653 177.911 -1.258 1 1 160 . 10 1 1 A 24 24 VAL N N 24 122.233 119.572 2.661 1 1 161 . 10 1 1 A 24 24 VAL H H 24 7.207 7.080 0.127 1 1 162 . 10 1 1 A 24 24 VAL CA C 24 62.768 63.295 -0.527 1 1 163 . 10 1 1 A 24 24 VAL HA H 24 4.081 3.897 0.184 1 1 164 . 10 1 1 A 24 24 VAL CB C 24 32.408 31.822 0.586 1 1 174 . 10 1 1 A 24 24 VAL C C 24 174.702 175.696 -0.994 1 1 175 . 10 1 1 A 25 25 SER N N 25 120.181 124.203 -4.022 1 1 176 . 10 1 1 A 25 25 SER H H 25 8.109 8.899 -0.790 1 1 177 . 10 1 1 A 25 25 SER CA C 25 56.489 57.288 -0.799 1 1 178 . 10 1 1 A 25 25 SER HA H 25 5.159 5.399 -0.240 1 1 179 . 10 1 1 A 25 25 SER CB C 25 66.443 66.135 0.308 1 1 181 . 10 1 1 A 25 25 SER C C 25 172.102 172.789 -0.687 1 1 183 . 10 1 1 A 26 26 ALA N N 26 124.850 123.976 0.874 1 1 184 . 10 1 1 A 26 26 ALA H H 26 8.839 8.965 -0.126 1 1 185 . 10 1 1 A 26 26 ALA CA C 26 50.395 51.028 -0.633 1 1 186 . 10 1 1 A 26 26 ALA HA H 26 5.796 5.119 0.677 1 1 187 . 10 1 1 A 26 26 ALA CB C 26 22.868 22.160 0.708 1 1 191 . 10 1 1 A 26 26 ALA C C 26 175.694 175.417 0.277 1 1 192 . 10 1 1 A 27 27 TYR N N 27 117.541 118.689 -1.148 1 1 193 . 10 1 1 A 27 27 TYR H H 27 8.831 8.432 0.399 1 1 194 . 10 1 1 A 27 27 TYR CA C 27 56.610 55.996 0.614 1 1 195 . 10 1 1 A 27 27 TYR HA H 27 4.851 5.173 -0.322 1 1 196 . 10 1 1 A 27 27 TYR CB C 27 39.737 41.760 -2.023 1 1 206 . 10 1 1 A 27 27 TYR C C 27 173.299 173.914 -0.615 1 1 208 . 10 1 1 A 28 28 GLY N N 28 108.355 106.757 1.598 1 1 209 . 10 1 1 A 28 28 GLY H H 28 8.788 8.556 0.232 1 1 210 . 10 1 1 A 28 28 GLY CA C 28 44.056 44.994 -0.938 1 1 211 . 10 1 1 A 28 28 GLY HA3 H 28 4.304 4.458 -0.154 1 1 212 . 10 1 1 A 28 28 GLY C C 28 176.208 174.323 1.885 1 1 213 . 10 1 1 A 28 28 GLY HA2 H 28 5.047 4.391 0.656 1 1 214 . 10 1 1 A 29 29 THR N N 29 115.659 113.548 2.111 1 1 215 . 10 1 1 A 29 29 THR H H 29 9.027 8.319 0.708 1 1 216 . 10 1 1 A 29 29 THR CA C 29 65.419 64.916 0.503 1 1 217 . 10 1 1 A 29 29 THR HA H 29 4.171 4.435 -0.264 1 1 218 . 10 1 1 A 29 29 THR CB C 29 68.659 69.266 -0.607 1 1 224 . 10 1 1 A 29 29 THR C C 29 178.141 177.272 0.869 1 1 225 . 10 1 1 A 30 30 GLY N N 30 107.400 107.981 -0.581 1 1 226 . 10 1 1 A 30 30 GLY H H 30 8.747 8.577 0.170 1 1 227 . 10 1 1 A 30 30 GLY CA C 30 46.719 46.947 -0.228 1 1 228 . 10 1 1 A 30 30 GLY HA3 H 30 3.556 3.634 -0.078 1 1 229 . 10 1 1 A 30 30 GLY C C 30 173.896 175.750 -1.854 1 1 230 . 10 1 1 A 30 30 GLY HA2 H 30 4.483 3.620 0.863 1 1 231 . 10 1 1 A 31 31 LEU N N 31 118.075 123.050 -4.975 1 1 232 . 10 1 1 A 31 31 LEU H H 31 7.389 8.072 -0.683 1 1 233 . 10 1 1 A 31 31 LEU CA C 31 55.799 57.643 -1.844 1 1 234 . 10 1 1 A 31 31 LEU HA H 31 3.778 3.959 -0.181 1 1 235 . 10 1 1 A 31 31 LEU CB C 31 41.564 41.482 0.082 1 1 247 . 10 1 1 A 31 31 LEU C C 31 176.045 178.960 -2.915 1 1 249 . 10 1 1 A 32 32 GLU N N 32 112.872 118.068 -5.196 1 1 250 . 10 1 1 A 32 32 GLU H H 32 7.509 8.008 -0.499 1 1 251 . 10 1 1 A 32 32 GLU CA C 32 56.330 58.970 -2.640 1 1 252 . 10 1 1 A 32 32 GLU HA H 32 4.717 4.052 0.665 1 1 253 . 10 1 1 A 32 32 GLU CB C 32 31.924 30.041 1.883 1 1 257 . 10 1 1 A 32 32 GLU C C 32 177.958 176.727 1.231 1 1 260 . 10 1 1 A 33 33 GLY N N 33 107.880 104.385 3.495 1 1 261 . 10 1 1 A 33 33 GLY H H 33 7.822 7.352 0.470 1 1 262 . 10 1 1 A 33 33 GLY CA C 33 45.568 45.617 -0.049 1 1 263 . 10 1 1 A 33 33 GLY HA3 H 33 4.125 4.098 0.027 1 1 264 . 10 1 1 A 33 33 GLY C C 33 172.046 172.084 -0.038 1 1 265 . 10 1 1 A 33 33 GLY HA2 H 33 4.661 4.092 0.569 1 1 266 . 10 1 1 A 34 34 GLY N N 34 105.841 108.617 -2.776 1 1 267 . 10 1 1 A 34 34 GLY H H 34 7.740 8.559 -0.819 1 1 268 . 10 1 1 A 34 34 GLY CA C 34 45.215 45.306 -0.091 1 1 269 . 10 1 1 A 34 34 GLY HA3 H 34 3.988 4.167 -0.179 1 1 270 . 10 1 1 A 34 34 GLY C C 34 171.280 172.817 -1.537 1 1 271 . 10 1 1 A 34 34 GLY HA2 H 34 4.030 4.125 -0.095 1 1 272 . 10 1 1 A 35 35 THR N N 35 119.173 116.035 3.138 1 1 273 . 10 1 1 A 35 35 THR H H 35 9.363 8.687 0.676 1 1 274 . 10 1 1 A 35 35 THR CA C 35 60.844 60.865 -0.021 1 1 275 . 10 1 1 A 35 35 THR HA H 35 5.177 4.995 0.182 1 1 276 . 10 1 1 A 35 35 THR CB C 35 72.095 70.047 2.048 1 1 282 . 10 1 1 A 35 35 THR C C 35 173.460 173.604 -0.144 1 1 283 . 10 1 1 A 36 36 THR N N 36 116.864 122.034 -5.170 1 1 284 . 10 1 1 A 36 36 THR H H 36 8.425 8.670 -0.245 1 1 285 . 10 1 1 A 36 36 THR CA C 36 62.841 64.258 -1.417 1 1 286 . 10 1 1 A 36 36 THR HA H 36 3.701 4.650 -0.949 1 1 287 . 10 1 1 A 36 36 THR CB C 36 68.447 68.249 0.198 1 1 293 . 10 1 1 A 36 36 THR C C 36 175.396 175.618 -0.222 1 1 294 . 10 1 1 A 37 37 GLY N N 37 107.461 114.140 -6.679 1 1 295 . 10 1 1 A 37 37 GLY H H 37 8.548 8.908 -0.360 1 1 296 . 10 1 1 A 37 37 GLY CA C 37 45.434 45.068 0.366 1 1 297 . 10 1 1 A 37 37 GLY HA3 H 37 3.386 3.981 -0.595 1 1 298 . 10 1 1 A 37 37 GLY C C 37 172.598 174.761 -2.163 1 1 299 . 10 1 1 A 37 37 GLY HA2 H 37 4.024 3.978 0.046 1 1 300 . 10 1 1 A 38 38 ILE N N 38 122.313 121.266 1.047 1 1 301 . 10 1 1 A 38 38 ILE H H 38 7.871 7.770 0.101 1 1 302 . 10 1 1 A 38 38 ILE CA C 38 58.566 60.613 -2.047 1 1 303 . 10 1 1 A 38 38 ILE HA H 38 4.274 4.314 -0.040 1 1 304 . 10 1 1 A 38 38 ILE CB C 38 38.476 38.741 -0.265 1 1 316 . 10 1 1 A 38 38 ILE C C 38 175.081 175.447 -0.366 1 1 318 . 10 1 1 A 39 39 GLN N N 39 127.942 126.334 1.608 1 1 319 . 10 1 1 A 39 39 GLN H H 39 8.487 8.534 -0.047 1 1 320 . 10 1 1 A 39 39 GLN CA C 39 57.394 54.290 3.104 1 1 321 . 10 1 1 A 39 39 GLN HA H 39 4.312 5.115 -0.803 1 1 322 . 10 1 1 A 39 39 GLN CB C 39 31.057 30.061 0.996 1 1 329 . 10 1 1 A 39 39 GLN C C 39 176.011 174.710 1.301 1 1 332 . 10 1 1 A 40 40 SER N N 40 125.784 123.988 1.796 1 1 333 . 10 1 1 A 40 40 SER H H 40 9.167 8.302 0.865 1 1 334 . 10 1 1 A 40 40 SER CA C 40 58.188 57.209 0.979 1 1 335 . 10 1 1 A 40 40 SER HA H 40 4.633 5.247 -0.614 1 1 336 . 10 1 1 A 40 40 SER CB C 40 66.149 65.560 0.589 1 1 338 . 10 1 1 A 40 40 SER C C 40 172.625 173.055 -0.430 1 1 340 . 10 1 1 A 41 41 GLU N N 41 117.679 119.388 -1.709 1 1 341 . 10 1 1 A 41 41 GLU H H 41 8.773 9.197 -0.424 1 1 342 . 10 1 1 A 41 41 GLU CA C 41 54.060 54.641 -0.581 1 1 343 . 10 1 1 A 41 41 GLU HA H 41 5.629 5.099 0.530 1 1 344 . 10 1 1 A 41 41 GLU CB C 41 34.053 33.053 1.000 1 1 348 . 10 1 1 A 41 41 GLU C C 41 175.607 174.840 0.767 1 1 351 . 10 1 1 A 42 42 PHE N N 42 116.557 118.256 -1.699 1 1 352 . 10 1 1 A 42 42 PHE H H 42 8.753 8.136 0.617 1 1 353 . 10 1 1 A 42 42 PHE CA C 42 56.847 55.162 1.685 1 1 354 . 10 1 1 A 42 42 PHE HA H 42 4.743 5.799 -1.056 1 1 355 . 10 1 1 A 42 42 PHE CB C 42 40.908 42.512 -1.604 1 1 367 . 10 1 1 A 42 42 PHE C C 42 170.204 173.604 -3.400 1 1 369 . 10 1 1 A 43 43 PHE N N 43 118.643 118.648 -0.005 1 1 370 . 10 1 1 A 43 43 PHE H H 43 9.234 8.798 0.436 1 1 371 . 10 1 1 A 43 43 PHE CA C 43 57.292 56.929 0.363 1 1 372 . 10 1 1 A 43 43 PHE HA H 43 5.041 4.857 0.184 1 1 373 . 10 1 1 A 43 43 PHE CB C 43 42.583 41.678 0.905 1 1 385 . 10 1 1 A 43 43 PHE C C 43 174.177 175.149 -0.972 1 1 387 . 10 1 1 A 44 44 ILE N N 44 120.124 120.162 -0.038 1 1 388 . 10 1 1 A 44 44 ILE H H 44 8.876 8.930 -0.054 1 1 389 . 10 1 1 A 44 44 ILE CA C 44 59.698 59.491 0.207 1 1 390 . 10 1 1 A 44 44 ILE HA H 44 4.717 4.763 -0.046 1 1 391 . 10 1 1 A 44 44 ILE CB C 44 40.591 41.544 -0.953 1 1 403 . 10 1 1 A 44 44 ILE C C 44 174.483 175.314 -0.831 1 1 405 . 10 1 1 A 45 45 ASN N N 45 127.058 124.765 2.293 1 1 406 . 10 1 1 A 45 45 ASN H H 45 9.553 8.839 0.714 1 1 407 . 10 1 1 A 45 45 ASN CA C 45 52.099 51.894 0.205 1 1 408 . 10 1 1 A 45 45 ASN HA H 45 5.380 4.937 0.443 1 1 409 . 10 1 1 A 45 45 ASN CB C 45 39.596 37.227 2.369 1 1 414 . 10 1 1 A 45 45 ASN C C 45 176.821 174.858 1.963 1 1 416 . 10 1 1 A 46 46 THR H H 46 9.223 7.691 1.532 1 1 417 . 10 1 1 A 46 46 THR CA C 46 61.534 61.123 0.411 1 1 418 . 10 1 1 A 46 46 THR HA H 46 4.368 4.409 -0.041 1 1 419 . 10 1 1 A 46 46 THR CB C 46 68.352 67.176 1.176 1 1 425 . 10 1 1 A 46 46 THR C C 46 176.816 174.580 2.236 1 1 426 . 10 1 1 A 47 47 THR N N 47 116.732 118.027 -1.295 1 1 427 . 10 1 1 A 47 47 THR H H 47 8.368 7.579 0.789 1 1 428 . 10 1 1 A 47 47 THR CA C 47 65.916 63.375 2.541 1 1 429 . 10 1 1 A 47 47 THR HA H 47 4.032 4.351 -0.319 1 1 430 . 10 1 1 A 47 47 THR CB C 47 69.870 69.538 0.332 1 1 436 . 10 1 1 A 47 47 THR C C 47 176.865 176.851 0.014 1 1 437 . 10 1 1 A 48 48 ARG N N 48 119.205 121.307 -2.102 1 1 438 . 10 1 1 A 48 48 ARG H H 48 8.785 8.028 0.757 1 1 439 . 10 1 1 A 48 48 ARG CA C 48 56.273 59.284 -3.011 1 1 440 . 10 1 1 A 48 48 ARG HA H 48 4.488 4.056 0.432 1 1 441 . 10 1 1 A 48 48 ARG CB C 48 30.862 29.828 1.034 1 1 447 . 10 1 1 A 48 48 ARG C C 48 176.314 179.115 -2.801 1 1 451 . 10 1 1 A 49 49 ALA N N 49 120.807 120.270 0.537 1 1 452 . 10 1 1 A 49 49 ALA H H 49 7.440 7.860 -0.420 1 1 453 . 10 1 1 A 49 49 ALA CA C 49 53.138 53.528 -0.390 1 1 454 . 10 1 1 A 49 49 ALA HA H 49 4.341 4.067 0.274 1 1 455 . 10 1 1 A 49 49 ALA CB C 49 22.427 19.345 3.082 1 1 459 . 10 1 1 A 49 49 ALA C C 49 177.914 178.219 -0.305 1 1 460 . 10 1 1 A 50 50 GLY N N 50 105.941 104.157 1.784 1 1 461 . 10 1 1 A 50 50 GLY H H 50 7.924 7.786 0.138 1 1 462 . 10 1 1 A 50 50 GLY CA C 50 44.229 44.328 -0.099 1 1 463 . 10 1 1 A 50 50 GLY HA3 H 50 4.325 4.162 0.163 1 1 464 . 10 1 1 A 50 50 GLY C C 50 171.089 173.393 -2.304 1 1 465 . 10 1 1 A 50 50 GLY HA2 H 50 3.948 4.127 -0.179 1 1 466 . 10 1 1 A 51 51 PRO CA C 51 63.140 63.230 -0.090 1 1 467 . 10 1 1 A 51 51 PRO HA H 51 4.588 4.412 0.176 1 1 468 . 10 1 1 A 51 51 PRO CB C 51 33.004 33.214 -0.210 1 1 477 . 10 1 1 A 52 52 GLY CA C 52 45.195 44.147 1.048 1 1 478 . 10 1 1 A 52 52 GLY HA3 H 52 3.275 4.070 -0.795 1 1 479 . 10 1 1 A 52 52 GLY HA2 H 52 3.852 3.916 -0.064 1 1 480 . 10 1 1 A 53 53 THR N N 53 114.003 110.615 3.388 1 1 481 . 10 1 1 A 53 53 THR H H 53 8.049 8.162 -0.113 1 1 482 . 10 1 1 A 53 53 THR CA C 53 62.352 61.580 0.772 1 1 483 . 10 1 1 A 53 53 THR HA H 53 4.436 4.853 -0.417 1 1 484 . 10 1 1 A 53 53 THR CB C 53 69.631 70.328 -0.697 1 1 490 . 10 1 1 A 54 54 LEU CA C 54 53.891 53.361 0.530 1 1 491 . 10 1 1 A 54 54 LEU HA H 54 5.077 5.198 -0.121 1 1 492 . 10 1 1 A 54 54 LEU CB C 54 44.515 46.380 -1.865 1 1 503 . 10 1 1 A 55 55 SER N N 55 120.726 115.524 5.202 1 1 504 . 10 1 1 A 55 55 SER H H 55 8.783 8.636 0.147 1 1 505 . 10 1 1 A 55 55 SER CA C 55 56.249 57.450 -1.201 1 1 506 . 10 1 1 A 55 55 SER HA H 55 5.092 5.168 -0.076 1 1 507 . 10 1 1 A 55 55 SER CB C 55 65.032 66.088 -1.056 1 1 509 . 10 1 1 A 55 55 SER C C 55 173.165 173.028 0.137 1 1 511 . 10 1 1 A 56 56 VAL N N 56 126.234 124.481 1.753 1 1 512 . 10 1 1 A 56 56 VAL H H 56 8.336 8.601 -0.265 1 1 513 . 10 1 1 A 56 56 VAL CA C 56 60.515 61.274 -0.759 1 1 514 . 10 1 1 A 56 56 VAL HA H 56 5.134 4.926 0.208 1 1 515 . 10 1 1 A 56 56 VAL CB C 56 34.463 34.398 0.065 1 1 520 . 10 1 1 A 56 56 VAL C C 56 174.718 174.830 -0.112 1 1 521 . 10 1 1 A 57 57 THR N N 57 120.539 123.150 -2.611 1 1 522 . 10 1 1 A 57 57 THR H H 57 8.828 8.564 0.264 1 1 523 . 10 1 1 A 57 57 THR CA C 57 60.580 61.724 -1.144 1 1 524 . 10 1 1 A 57 57 THR HA H 57 5.132 5.072 0.060 1 1 525 . 10 1 1 A 57 57 THR CB C 57 72.187 71.605 0.582 1 1 531 . 10 1 1 A 57 57 THR C C 57 172.970 173.420 -0.450 1 1 532 . 10 1 1 A 58 58 ILE N N 58 123.949 127.465 -3.516 1 1 533 . 10 1 1 A 58 58 ILE H H 58 9.249 9.028 0.221 1 1 534 . 10 1 1 A 58 58 ILE CA C 58 61.297 59.792 1.505 1 1 535 . 10 1 1 A 58 58 ILE HA H 58 5.001 5.180 -0.179 1 1 536 . 10 1 1 A 58 58 ILE CB C 58 39.755 40.899 -1.144 1 1 548 . 10 1 1 A 58 58 ILE C C 58 174.848 174.837 0.011 1 1 550 . 10 1 1 A 59 59 GLU N N 59 129.027 124.501 4.526 1 1 551 . 10 1 1 A 59 59 GLU H H 59 8.966 8.784 0.182 1 1 552 . 10 1 1 A 59 59 GLU CA C 59 53.911 54.650 -0.739 1 1 553 . 10 1 1 A 59 59 GLU HA H 59 5.427 5.191 0.236 1 1 554 . 10 1 1 A 59 59 GLU CB C 59 33.843 32.898 0.945 1 1 558 . 10 1 1 A 59 59 GLU C C 59 175.342 176.197 -0.855 1 1 561 . 10 1 1 A 60 60 GLY N N 60 110.765 109.209 1.556 1 1 562 . 10 1 1 A 60 60 GLY H H 60 8.597 8.178 0.419 1 1 563 . 10 1 1 A 60 60 GLY CA C 60 45.997 44.757 1.240 1 1 564 . 10 1 1 A 60 60 GLY HA3 H 60 3.908 3.730 0.178 1 1 565 . 10 1 1 A 60 60 GLY C C 60 171.205 173.992 -2.787 1 1 566 . 10 1 1 A 60 60 GLY HA2 H 60 3.685 3.218 0.467 1 1 567 . 10 1 1 A 61 61 PRO CA C 61 64.057 64.187 -0.130 1 1 568 . 10 1 1 A 61 61 PRO HA H 61 4.415 4.328 0.087 1 1 569 . 10 1 1 A 61 61 PRO CB C 61 32.143 32.195 -0.052 1 1 575 . 10 1 1 A 61 61 PRO C C 61 175.925 176.295 -0.370 1 1 579 . 10 1 1 A 62 62 SER N N 62 108.413 114.415 -6.002 1 1 580 . 10 1 1 A 62 62 SER H H 62 7.144 7.689 -0.545 1 1 581 . 10 1 1 A 62 62 SER CA C 62 57.037 57.793 -0.756 1 1 582 . 10 1 1 A 62 62 SER HA H 62 4.596 4.956 -0.360 1 1 583 . 10 1 1 A 62 62 SER CB C 62 66.522 65.571 0.951 1 1 585 . 10 1 1 A 62 62 SER C C 62 172.446 173.134 -0.688 1 1 587 . 10 1 1 A 63 63 LYS N N 63 122.539 126.213 -3.674 1 1 588 . 10 1 1 A 63 63 LYS H H 63 8.620 8.422 0.198 1 1 589 . 10 1 1 A 63 63 LYS CA C 63 56.407 56.567 -0.160 1 1 590 . 10 1 1 A 63 63 LYS HA H 63 4.267 4.443 -0.176 1 1 591 . 10 1 1 A 63 63 LYS CB C 63 32.576 33.186 -0.610 1 1 596 . 10 1 1 A 63 63 LYS C C 63 176.658 176.408 0.250 1 1 601 . 10 1 1 A 64 64 VAL N N 64 120.278 121.547 -1.269 1 1 602 . 10 1 1 A 64 64 VAL H H 64 8.554 8.938 -0.384 1 1 603 . 10 1 1 A 64 64 VAL CA C 64 60.425 59.323 1.102 1 1 604 . 10 1 1 A 64 64 VAL HA H 64 4.460 4.977 -0.517 1 1 605 . 10 1 1 A 64 64 VAL CB C 64 32.938 34.821 -1.883 1 1 615 . 10 1 1 A 64 64 VAL C C 64 176.629 174.630 1.999 1 1 616 . 10 1 1 A 65 65 LYS N N 65 121.529 122.047 -0.518 1 1 617 . 10 1 1 A 65 65 LYS H H 65 8.139 8.501 -0.362 1 1 618 . 10 1 1 A 65 65 LYS CA C 65 56.181 55.816 0.365 1 1 619 . 10 1 1 A 65 65 LYS HA H 65 4.474 4.670 -0.196 1 1 620 . 10 1 1 A 65 65 LYS CB C 65 32.960 33.020 -0.060 1 1 627 . 10 1 1 A 65 65 LYS C C 65 176.309 175.255 1.054 1 1 632 . 10 1 1 A 66 66 MET N N 66 125.382 124.351 1.031 1 1 633 . 10 1 1 A 66 66 MET H H 66 8.811 8.735 0.076 1 1 634 . 10 1 1 A 66 66 MET CA C 66 55.055 53.659 1.396 1 1 635 . 10 1 1 A 66 66 MET HA H 66 5.393 5.486 -0.093 1 1 636 . 10 1 1 A 66 66 MET CB C 66 37.398 33.444 3.954 1 1 644 . 10 1 1 A 66 66 MET C C 66 174.026 174.037 -0.011 1 1 647 . 10 1 1 A 67 67 ASP N N 67 122.714 126.256 -3.542 1 1 648 . 10 1 1 A 67 67 ASP H H 67 8.995 8.705 0.290 1 1 649 . 10 1 1 A 67 67 ASP CA C 67 53.231 52.801 0.430 1 1 650 . 10 1 1 A 67 67 ASP HA H 67 4.854 4.876 -0.022 1 1 651 . 10 1 1 A 67 67 ASP CB C 67 44.980 40.323 4.657 1 1 654 . 10 1 1 A 68 68 CYS H H 68 8.412 8.038 0.374 1 1 655 . 10 1 1 A 68 68 CYS CA C 68 56.390 60.061 -3.671 1 1 656 . 10 1 1 A 68 68 CYS HA H 68 5.288 4.337 0.951 1 1 657 . 10 1 1 A 68 68 CYS CB C 68 28.188 27.864 0.324 1 1 660 . 10 1 1 A 69 69 GLN N N 69 125.044 123.208 1.836 1 1 661 . 10 1 1 A 69 69 GLN H H 69 9.116 8.399 0.717 1 1 662 . 10 1 1 A 69 69 GLN CA C 69 56.403 54.953 1.450 1 1 663 . 10 1 1 A 69 69 GLN HA H 69 5.290 4.707 0.583 1 1 664 . 10 1 1 A 69 69 GLN CB C 69 32.962 32.483 0.479 1 1 671 . 10 1 1 A 70 70 GLU N N 70 125.781 124.420 1.361 1 1 672 . 10 1 1 A 70 70 GLU H H 70 8.979 8.747 0.232 1 1 673 . 10 1 1 A 70 70 GLU CA C 70 56.418 56.453 -0.035 1 1 674 . 10 1 1 A 70 70 GLU HA H 70 4.029 4.667 -0.638 1 1 675 . 10 1 1 A 70 70 GLU CB C 70 30.585 30.324 0.261 1 1 681 . 10 1 1 A 71 71 THR N N 71 118.158 111.895 6.263 1 1 682 . 10 1 1 A 71 71 THR H H 71 8.455 8.704 -0.249 1 1 683 . 10 1 1 A 71 71 THR CA C 71 59.209 58.338 0.871 1 1 684 . 10 1 1 A 71 71 THR HA H 71 4.902 5.062 -0.160 1 1 685 . 10 1 1 A 71 71 THR CB C 71 68.926 69.957 -1.031 1 1 691 . 10 1 1 A 72 72 PRO CA C 72 65.290 64.276 1.014 1 1 692 . 10 1 1 A 72 72 PRO HA H 72 4.296 4.515 -0.219 1 1 693 . 10 1 1 A 72 72 PRO CB C 72 31.848 31.595 0.253 1 1 699 . 10 1 1 A 72 72 PRO C C 72 177.476 177.020 0.456 1 1 703 . 10 1 1 A 73 73 GLU N N 73 112.293 116.786 -4.493 1 1 704 . 10 1 1 A 73 73 GLU H H 73 7.562 8.423 -0.861 1 1 705 . 10 1 1 A 73 73 GLU CA C 73 55.577 57.330 -1.753 1 1 706 . 10 1 1 A 73 73 GLU HA H 73 4.370 4.452 -0.082 1 1 707 . 10 1 1 A 73 73 GLU CB C 73 30.787 32.137 -1.350 1 1 711 . 10 1 1 A 73 73 GLU C C 73 174.438 176.696 -2.258 1 1 714 . 10 1 1 A 74 74 GLY N N 74 109.223 104.383 4.840 1 1 715 . 10 1 1 A 74 74 GLY H H 74 7.324 7.209 0.115 1 1 716 . 10 1 1 A 74 74 GLY CA C 74 47.146 45.828 1.318 1 1 717 . 10 1 1 A 74 74 GLY HA3 H 74 3.551 4.001 -0.450 1 1 718 . 10 1 1 A 74 74 GLY C C 74 172.589 171.066 1.523 1 1 719 . 10 1 1 A 74 74 GLY HA2 H 74 4.949 3.807 1.142 1 1 720 . 10 1 1 A 75 75 TYR N N 75 123.117 119.492 3.625 1 1 721 . 10 1 1 A 75 75 TYR H H 75 8.883 8.190 0.693 1 1 722 . 10 1 1 A 75 75 TYR CA C 75 57.566 56.405 1.161 1 1 723 . 10 1 1 A 75 75 TYR HA H 75 5.171 5.294 -0.123 1 1 724 . 10 1 1 A 75 75 TYR CB C 75 44.111 42.273 1.838 1 1 734 . 10 1 1 A 75 75 TYR C C 75 173.925 173.861 0.064 1 1 736 . 10 1 1 A 76 76 LYS N N 76 124.633 125.132 -0.499 1 1 737 . 10 1 1 A 76 76 LYS H H 76 9.390 8.621 0.769 1 1 738 . 10 1 1 A 76 76 LYS CA C 76 55.055 54.896 0.159 1 1 739 . 10 1 1 A 76 76 LYS HA H 76 4.594 4.485 0.109 1 1 740 . 10 1 1 A 76 76 LYS CB C 76 35.124 34.243 0.881 1 1 748 . 10 1 1 A 76 76 LYS C C 76 174.069 174.842 -0.773 1 1 753 . 10 1 1 A 77 77 VAL N N 77 126.947 126.566 0.381 1 1 754 . 10 1 1 A 77 77 VAL H H 77 8.607 7.901 0.706 1 1 755 . 10 1 1 A 77 77 VAL CA C 77 60.894 60.831 0.063 1 1 756 . 10 1 1 A 77 77 VAL HA H 77 4.280 4.675 -0.395 1 1 757 . 10 1 1 A 77 77 VAL CB C 77 32.115 33.989 -1.874 1 1 767 . 10 1 1 A 77 77 VAL C C 77 173.586 174.974 -1.388 1 1 768 . 10 1 1 A 78 78 MET N N 78 123.986 124.487 -0.501 1 1 769 . 10 1 1 A 78 78 MET H H 78 8.410 8.755 -0.345 1 1 770 . 10 1 1 A 78 78 MET CA C 78 53.236 54.077 -0.841 1 1 771 . 10 1 1 A 78 78 MET HA H 78 5.290 5.208 0.082 1 1 772 . 10 1 1 A 78 78 MET CB C 78 36.873 36.349 0.524 1 1 780 . 10 1 1 A 78 78 MET C C 78 174.665 174.644 0.021 1 1 783 . 10 1 1 A 79 79 TYR N N 79 117.488 119.392 -1.904 1 1 784 . 10 1 1 A 79 79 TYR H H 79 8.739 8.167 0.572 1 1 785 . 10 1 1 A 79 79 TYR CA C 79 56.011 56.123 -0.112 1 1 786 . 10 1 1 A 79 79 TYR HA H 79 5.654 5.734 -0.080 1 1 787 . 10 1 1 A 79 79 TYR CB C 79 41.549 41.948 -0.399 1 1 797 . 10 1 1 A 79 79 TYR C C 79 172.927 173.536 -0.609 1 1 799 . 10 1 1 A 80 80 THR H H 80 8.383 8.952 -0.569 1 1 800 . 10 1 1 A 80 80 THR CA C 80 58.611 59.142 -0.531 1 1 801 . 10 1 1 A 80 80 THR HA H 80 4.978 4.948 0.030 1 1 802 . 10 1 1 A 80 80 THR CB C 80 70.258 71.861 -1.603 1 1 808 . 10 1 1 A 81 81 PRO CA C 81 61.531 62.675 -1.144 1 1 809 . 10 1 1 A 81 81 PRO HA H 81 4.532 4.717 -0.185 1 1 810 . 10 1 1 A 81 81 PRO CB C 81 32.774 31.514 1.260 1 1 819 . 10 1 1 A 82 82 MET N N 82 117.590 123.572 -5.982 1 1 820 . 10 1 1 A 82 82 MET H H 82 8.299 8.874 -0.575 1 1 821 . 10 1 1 A 82 82 MET CA C 82 53.882 57.343 -3.461 1 1 822 . 10 1 1 A 82 82 MET HA H 82 4.851 4.498 0.353 1 1 823 . 10 1 1 A 82 82 MET CB C 82 33.337 33.812 -0.475 1 1 831 . 10 1 1 A 82 82 MET C C 82 174.339 175.848 -1.509 1 1 834 . 10 1 1 A 83 83 ALA N N 83 119.196 119.889 -0.693 1 1 835 . 10 1 1 A 83 83 ALA H H 83 7.076 7.789 -0.713 1 1 836 . 10 1 1 A 83 83 ALA CA C 83 49.425 49.575 -0.150 1 1 837 . 10 1 1 A 83 83 ALA HA H 83 4.791 4.749 0.042 1 1 838 . 10 1 1 A 83 83 ALA CB C 83 20.682 21.867 -1.185 1 1 842 . 10 1 1 A 83 83 ALA C C 83 174.364 174.743 -0.379 1 1 843 . 10 1 1 A 84 84 PRO CA C 84 62.540 63.350 -0.810 1 1 844 . 10 1 1 A 84 84 PRO HA H 84 4.244 4.522 -0.278 1 1 845 . 10 1 1 A 84 84 PRO CB C 84 32.615 33.355 -0.740 1 1 851 . 10 1 1 A 84 84 PRO C C 84 174.214 175.918 -1.704 1 1 855 . 10 1 1 A 85 85 GLY N N 85 105.436 107.871 -2.435 1 1 856 . 10 1 1 A 85 85 GLY H H 85 8.855 8.314 0.541 1 1 857 . 10 1 1 A 85 85 GLY CA C 85 44.156 45.066 -0.910 1 1 858 . 10 1 1 A 85 85 GLY HA3 H 85 3.761 4.307 -0.546 1 1 859 . 10 1 1 A 85 85 GLY C C 85 171.801 172.440 -0.639 1 1 860 . 10 1 1 A 85 85 GLY HA2 H 85 4.515 4.280 0.235 1 1 861 . 10 1 1 A 86 86 ASN N N 86 119.042 118.378 0.664 1 1 862 . 10 1 1 A 86 86 ASN H H 86 8.573 8.611 -0.038 1 1 863 . 10 1 1 A 86 86 ASN CA C 86 52.499 51.663 0.836 1 1 864 . 10 1 1 A 86 86 ASN HA H 86 5.517 5.782 -0.265 1 1 865 . 10 1 1 A 86 86 ASN CB C 86 39.390 40.463 -1.073 1 1 870 . 10 1 1 A 86 86 ASN C C 86 174.453 173.956 0.497 1 1 872 . 10 1 1 A 87 87 TYR N N 87 122.992 122.431 0.561 1 1 873 . 10 1 1 A 87 87 TYR H H 87 9.369 8.803 0.566 1 1 874 . 10 1 1 A 87 87 TYR CA C 87 56.366 56.214 0.152 1 1 875 . 10 1 1 A 87 87 TYR HA H 87 5.140 5.544 -0.404 1 1 876 . 10 1 1 A 87 87 TYR CB C 87 40.267 41.646 -1.379 1 1 886 . 10 1 1 A 87 87 TYR C C 87 174.332 174.465 -0.133 1 1 888 . 10 1 1 A 88 88 LEU N N 88 124.720 123.150 1.570 1 1 889 . 10 1 1 A 88 88 LEU H H 88 9.306 8.893 0.413 1 1 890 . 10 1 1 A 88 88 LEU CA C 88 53.426 53.701 -0.275 1 1 891 . 10 1 1 A 88 88 LEU HA H 88 5.253 5.077 0.176 1 1 892 . 10 1 1 A 88 88 LEU CB C 88 44.487 45.594 -1.107 1 1 904 . 10 1 1 A 88 88 LEU C C 88 177.074 174.401 2.673 1 1 906 . 10 1 1 A 89 89 ILE N N 89 130.469 128.663 1.806 1 1 907 . 10 1 1 A 89 89 ILE H H 89 9.807 9.293 0.514 1 1 908 . 10 1 1 A 89 89 ILE CA C 89 60.792 59.964 0.828 1 1 909 . 10 1 1 A 89 89 ILE HA H 89 4.851 4.814 0.037 1 1 910 . 10 1 1 A 89 89 ILE CB C 89 39.662 38.635 1.027 1 1 922 . 10 1 1 A 89 89 ILE C C 89 175.605 174.700 0.905 1 1 924 . 10 1 1 A 90 90 SER N N 90 123.845 124.538 -0.693 1 1 925 . 10 1 1 A 90 90 SER H H 90 9.540 8.886 0.654 1 1 926 . 10 1 1 A 90 90 SER CA C 90 58.036 57.964 0.072 1 1 927 . 10 1 1 A 90 90 SER HA H 90 5.199 5.030 0.169 1 1 928 . 10 1 1 A 90 90 SER CB C 90 64.133 64.074 0.059 1 1 930 . 10 1 1 A 90 90 SER C C 90 173.566 173.861 -0.295 1 1 932 . 10 1 1 A 91 91 VAL N N 91 128.427 126.747 1.680 1 1 933 . 10 1 1 A 91 91 VAL H H 91 9.918 8.605 1.313 1 1 934 . 10 1 1 A 91 91 VAL CA C 91 61.447 61.418 0.029 1 1 935 . 10 1 1 A 91 91 VAL HA H 91 4.837 4.717 0.120 1 1 936 . 10 1 1 A 91 91 VAL CB C 91 33.761 33.312 0.449 1 1 946 . 10 1 1 A 91 91 VAL C C 91 173.296 175.251 -1.955 1 1 947 . 10 1 1 A 92 92 LYS N N 92 125.779 127.195 -1.416 1 1 948 . 10 1 1 A 92 92 LYS H H 92 8.892 8.699 0.193 1 1 949 . 10 1 1 A 92 92 LYS CA C 92 54.468 55.181 -0.713 1 1 950 . 10 1 1 A 92 92 LYS HA H 92 5.065 5.189 -0.124 1 1 951 . 10 1 1 A 92 92 LYS CB C 92 36.106 35.024 1.082 1 1 959 . 10 1 1 A 92 92 LYS C C 92 175.189 175.534 -0.345 1 1 964 . 10 1 1 A 93 93 TYR N N 93 120.251 123.369 -3.118 1 1 965 . 10 1 1 A 93 93 TYR H H 93 8.061 8.741 -0.680 1 1 966 . 10 1 1 A 93 93 TYR CA C 93 56.884 57.455 -0.571 1 1 967 . 10 1 1 A 93 93 TYR HA H 93 5.522 4.933 0.589 1 1 968 . 10 1 1 A 93 93 TYR CB C 93 44.120 42.069 2.051 1 1 978 . 10 1 1 A 93 93 TYR C C 93 175.517 175.299 0.218 1 1 980 . 10 1 1 A 94 94 GLY N N 94 114.148 112.572 1.576 1 1 981 . 10 1 1 A 94 94 GLY H H 94 8.274 8.452 -0.178 1 1 982 . 10 1 1 A 94 94 GLY CA C 94 45.959 46.787 -0.828 1 1 983 . 10 1 1 A 94 94 GLY HA3 H 94 3.705 3.515 0.190 1 1 984 . 10 1 1 A 94 94 GLY C C 94 173.595 173.785 -0.190 1 1 985 . 10 1 1 A 94 94 GLY HA2 H 94 3.877 3.454 0.423 1 1 986 . 10 1 1 A 95 95 GLY N N 95 107.010 107.043 -0.033 1 1 987 . 10 1 1 A 95 95 GLY H H 95 7.452 8.306 -0.854 1 1 988 . 10 1 1 A 95 95 GLY CA C 95 43.954 44.184 -0.230 1 1 989 . 10 1 1 A 95 95 GLY HA3 H 95 3.618 3.996 -0.378 1 1 990 . 10 1 1 A 95 95 GLY C C 95 172.825 173.888 -1.063 1 1 991 . 10 1 1 A 95 95 GLY HA2 H 95 4.507 3.991 0.516 1 1 992 . 10 1 1 A 96 96 PRO CA C 96 63.221 63.677 -0.456 1 1 993 . 10 1 1 A 96 96 PRO HA H 96 4.413 4.551 -0.138 1 1 994 . 10 1 1 A 96 96 PRO CB C 96 30.955 31.891 -0.936 1 1 1000 . 10 1 1 A 96 96 PRO C C 96 175.901 176.300 -0.399 1 1 1004 . 10 1 1 A 97 97 ASN N N 97 119.942 117.960 1.982 1 1 1005 . 10 1 1 A 97 97 ASN H H 97 8.172 8.053 0.119 1 1 1006 . 10 1 1 A 97 97 ASN CA C 97 52.914 53.414 -0.500 1 1 1007 . 10 1 1 A 97 97 ASN HA H 97 4.864 4.582 0.282 1 1 1008 . 10 1 1 A 97 97 ASN CB C 97 39.806 39.141 0.665 1 1 1013 . 10 1 1 A 97 97 ASN C C 97 174.285 175.513 -1.228 1 1 1015 . 10 1 1 A 98 98 HIS N N 98 121.803 121.186 0.617 1 1 1016 . 10 1 1 A 98 98 HIS H H 98 8.456 8.189 0.267 1 1 1017 . 10 1 1 A 98 98 HIS CA C 98 58.023 55.212 2.811 1 1 1018 . 10 1 1 A 98 98 HIS HA H 98 4.475 4.901 -0.426 1 1 1019 . 10 1 1 A 98 98 HIS CB C 98 33.382 31.369 2.013 1 1 1025 . 10 1 1 A 98 98 HIS C C 98 177.938 175.029 2.909 1 1 1027 . 10 1 1 A 99 99 ILE N N 99 115.599 113.824 1.775 1 1 1028 . 10 1 1 A 99 99 ILE H H 99 8.237 8.489 -0.252 1 1 1029 . 10 1 1 A 99 99 ILE CA C 99 60.895 59.196 1.699 1 1 1030 . 10 1 1 A 99 99 ILE HA H 99 4.545 4.799 -0.254 1 1 1031 . 10 1 1 A 99 99 ILE CB C 99 38.675 40.821 -2.146 1 1 1043 . 10 1 1 A 99 99 ILE C C 99 176.165 175.707 0.458 1 1 1045 . 10 1 1 A 100 100 VAL H H 100 8.389 8.485 -0.096 1 1 1046 . 10 1 1 A 100 100 VAL CA C 100 65.835 65.340 0.495 1 1 1047 . 10 1 1 A 100 100 VAL HA H 100 3.673 3.538 0.135 1 1 1048 . 10 1 1 A 100 100 VAL CB C 100 31.169 31.486 -0.317 1 1 1058 . 10 1 1 A 101 101 GLY N N 101 116.014 115.287 0.727 1 1 1059 . 10 1 1 A 101 101 GLY H H 101 8.297 8.944 -0.647 1 1 1060 . 10 1 1 A 101 101 GLY CA C 101 44.626 45.356 -0.730 1 1 1061 . 10 1 1 A 101 101 GLY HA3 H 101 3.227 4.110 -0.883 1 1 1062 . 10 1 1 A 101 101 GLY C C 101 171.863 173.764 -1.901 1 1 1063 . 10 1 1 A 101 101 GLY HA2 H 101 4.207 3.990 0.217 1 1 1064 . 10 1 1 A 102 102 SER N N 102 111.977 117.377 -5.400 1 1 1065 . 10 1 1 A 102 102 SER H H 102 7.304 7.391 -0.087 1 1 1066 . 10 1 1 A 102 102 SER CA C 102 54.570 55.441 -0.871 1 1 1067 . 10 1 1 A 102 102 SER HA H 102 3.915 3.635 0.280 1 1 1068 . 10 1 1 A 102 102 SER CB C 102 62.569 63.419 -0.850 1 1 1071 . 10 1 1 A 103 103 PRO CA C 103 62.215 62.412 -0.197 1 1 1072 . 10 1 1 A 103 103 PRO HA H 103 5.475 4.314 1.161 1 1 1073 . 10 1 1 A 103 103 PRO CB C 103 33.552 32.583 0.969 1 1 1079 . 10 1 1 A 103 103 PRO C C 103 175.646 176.242 -0.596 1 1 1083 . 10 1 1 A 104 104 PHE N N 104 123.291 121.838 1.453 1 1 1084 . 10 1 1 A 104 104 PHE H H 104 9.465 8.187 1.278 1 1 1085 . 10 1 1 A 104 104 PHE CA C 104 57.015 57.445 -0.430 1 1 1086 . 10 1 1 A 104 104 PHE HA H 104 4.531 4.822 -0.291 1 1 1087 . 10 1 1 A 104 104 PHE CB C 104 40.607 39.076 1.531 1 1 1099 . 10 1 1 A 104 104 PHE C C 104 175.305 174.786 0.519 1 1 1101 . 10 1 1 A 105 105 LYS N N 105 123.989 126.119 -2.130 1 1 1102 . 10 1 1 A 105 105 LYS H H 105 8.712 8.771 -0.059 1 1 1103 . 10 1 1 A 105 105 LYS CA C 105 55.868 55.749 0.119 1 1 1104 . 10 1 1 A 105 105 LYS HA H 105 4.913 4.894 0.019 1 1 1105 . 10 1 1 A 105 105 LYS CB C 105 32.762 33.936 -1.174 1 1 1113 . 10 1 1 A 105 105 LYS C C 105 174.065 175.434 -1.369 1 1 1118 . 10 1 1 A 106 106 ALA N N 106 129.654 129.855 -0.201 1 1 1119 . 10 1 1 A 106 106 ALA H H 106 8.964 8.775 0.189 1 1 1120 . 10 1 1 A 106 106 ALA CA C 106 50.325 50.116 0.209 1 1 1121 . 10 1 1 A 106 106 ALA HA H 106 4.497 5.286 -0.789 1 1 1122 . 10 1 1 A 106 106 ALA CB C 106 20.496 22.375 -1.879 1 1 1126 . 10 1 1 A 106 106 ALA C C 106 176.111 175.453 0.658 1 1 1127 . 10 1 1 A 107 107 LYS N N 107 124.155 122.242 1.913 1 1 1128 . 10 1 1 A 107 107 LYS H H 107 7.955 8.728 -0.773 1 1 1129 . 10 1 1 A 107 107 LYS CA C 107 55.904 54.881 1.023 1 1 1130 . 10 1 1 A 107 107 LYS HA H 107 4.950 4.901 0.049 1 1 1131 . 10 1 1 A 107 107 LYS CB C 107 33.755 34.134 -0.379 1 1 1139 . 10 1 1 A 107 107 LYS C C 107 175.350 174.900 0.450 1 1 1144 . 10 1 1 A 108 108 VAL N N 108 128.726 128.266 0.460 1 1 1145 . 10 1 1 A 108 108 VAL H H 108 9.373 8.533 0.840 1 1 1146 . 10 1 1 A 108 108 VAL CA C 108 60.804 61.777 -0.973 1 1 1147 . 10 1 1 A 108 108 VAL HA H 108 4.851 4.820 0.031 1 1 1148 . 10 1 1 A 108 108 VAL CB C 108 33.175 32.380 0.795 1 1 1158 . 10 1 1 A 108 108 VAL C C 108 177.017 175.565 1.452 1 1 1159 . 10 1 1 A 109 109 THR N N 109 121.067 117.098 3.969 1 1 1160 . 10 1 1 A 109 109 THR H H 109 8.527 8.418 0.109 1 1 1161 . 10 1 1 A 109 109 THR CA C 109 60.138 59.704 0.434 1 1 1162 . 10 1 1 A 109 109 THR HA H 109 4.864 4.890 -0.026 1 1 1163 . 10 1 1 A 109 109 THR CB C 109 70.960 71.484 -0.524 1 1 1169 . 10 1 1 A 109 109 THR C C 109 173.130 173.093 0.037 1 1 1170 . 10 1 1 A 110 110 GLY N N 110 106.893 107.978 -1.085 1 1 1171 . 10 1 1 A 110 110 GLY H H 110 8.404 8.344 0.060 1 1 1172 . 10 1 1 A 110 110 GLY CA C 110 43.888 43.999 -0.111 1 1 1173 . 10 1 1 A 110 110 GLY HA3 H 110 3.851 4.125 -0.274 1 1 1174 . 10 1 1 A 110 110 GLY C C 110 173.870 172.330 1.540 1 1 1175 . 10 1 1 A 110 110 GLY HA2 H 110 4.773 4.124 0.649 1 1 1176 . 10 1 1 A 111 111 GLN N N 111 116.999 120.540 -3.541 1 1 1177 . 10 1 1 A 111 111 GLN H H 111 8.234 8.323 -0.089 1 1 1178 . 10 1 1 A 111 111 GLN CA C 111 55.230 54.135 1.095 1 1 1179 . 10 1 1 A 111 111 GLN HA H 111 4.269 5.015 -0.746 1 1 1180 . 10 1 1 A 111 111 GLN CB C 111 30.118 31.200 -1.082 1 1 1187 . 10 1 1 A 111 111 GLN C C 111 176.550 175.435 1.115 1 1 1190 . 10 1 1 A 112 112 ARG N N 112 122.131 124.668 -2.537 1 1 1191 . 10 1 1 A 112 112 ARG H H 112 8.832 8.378 0.454 1 1 1192 . 10 1 1 A 112 112 ARG CA C 112 57.384 56.014 1.370 1 1 1193 . 10 1 1 A 112 112 ARG HA H 112 4.300 4.362 -0.062 1 1 1194 . 10 1 1 A 112 112 ARG CB C 112 30.059 30.357 -0.298 1 1 1200 . 10 1 1 A 112 112 ARG C C 112 175.836 175.841 -0.005 1 1 1204 . 10 1 1 A 113 113 LEU N N 113 126.764 126.196 0.568 1 1 1205 . 10 1 1 A 113 113 LEU H H 113 8.424 8.453 -0.029 1 1 1206 . 10 1 1 A 113 113 LEU CA C 113 54.919 55.800 -0.881 1 1 1207 . 10 1 1 A 113 113 LEU HA H 113 4.517 4.196 0.321 1 1 1208 . 10 1 1 A 113 113 LEU CB C 113 42.706 41.303 1.403 1 1 1220 . 10 1 1 A 113 113 LEU C C 113 176.521 176.558 -0.037 1 1 1222 . 10 1 1 A 116 116 PRO CA C 116 63.729 63.856 -0.127 1 1 1223 . 10 1 1 A 116 116 PRO HA H 116 4.436 4.414 0.022 1 1 1224 . 10 1 1 A 116 116 PRO CB C 116 32.182 32.122 0.060 1 1 1233 . 10 1 1 A 117 117 GLY N N 117 110.092 106.134 3.958 1 1 1234 . 10 1 1 A 117 117 GLY H H 117 8.493 7.431 1.062 1 1 1235 . 10 1 1 A 118 118 SER CA C 118 58.420 59.522 -1.102 1 1 1236 . 10 1 1 A 118 118 SER HA H 118 4.454 4.627 -0.173 1 1 1237 . 10 1 1 A 118 118 SER CB C 118 64.014 65.403 -1.389 1 1 1239 . 10 1 1 A 118 118 SER C C 118 174.495 174.206 0.289 1 1 1241 . 10 1 1 A 119 119 ALA N N 119 125.244 122.034 3.210 1 1 1242 . 10 1 1 A 119 119 ALA H H 119 8.365 8.020 0.345 1 1 1243 . 10 1 1 A 119 119 ALA CA C 119 52.697 53.012 -0.315 1 1 1244 . 10 1 1 A 119 119 ALA HA H 119 4.333 3.919 0.414 1 1 1245 . 10 1 1 A 119 119 ALA CB C 119 19.378 16.859 2.519 1 1 1249 . 10 1 1 A 119 119 ALA C C 119 177.362 176.019 1.343 1 1 1250 . 10 1 1 A 120 120 ASN N N 120 117.122 115.690 1.432 1 1 1251 . 10 1 1 A 120 120 ASN H H 120 8.311 7.969 0.342 1 1 1252 . 10 1 1 A 120 120 ASN CA C 120 53.198 52.776 0.422 1 1 1253 . 10 1 1 A 120 120 ASN HA H 120 4.659 4.913 -0.254 1 1 1254 . 10 1 1 A 120 120 ASN CB C 120 38.852 39.730 -0.878 1 1 1259 . 10 1 1 A 120 120 ASN C C 120 175.112 174.448 0.664 1 1 1261 . 10 1 1 A 122 122 THR CA C 122 61.947 63.041 -1.094 1 1 1262 . 10 1 1 A 122 122 THR HA H 122 4.197 4.430 -0.233 1 1 1263 . 10 1 1 A 122 122 THR CB C 122 69.949 70.367 -0.418 1 1 1 . 11 1 1 A 9 9 LYS N N 9 120.806 121.784 -0.978 1 1 2 . 11 1 1 A 9 9 LYS H H 9 8.548 7.645 0.903 1 1 3 . 11 1 1 A 9 9 LYS CA C 9 56.358 54.545 1.813 1 1 4 . 11 1 1 A 9 9 LYS HA H 9 4.261 4.991 -0.730 1 1 5 . 11 1 1 A 9 9 LYS CB C 9 32.673 35.409 -2.736 1 1 17 . 11 1 1 A 10 10 VAL HA H 10 4.307 4.882 -0.575 1 1 18 . 11 1 1 A 10 10 VAL CB C 10 34.845 34.651 0.194 1 1 24 . 11 1 1 A 11 11 ARG N N 11 125.757 126.492 -0.735 1 1 25 . 11 1 1 A 11 11 ARG H H 11 8.546 8.858 -0.312 1 1 26 . 11 1 1 A 11 11 ARG CA C 11 55.966 54.361 1.605 1 1 27 . 11 1 1 A 11 11 ARG HA H 11 4.463 5.040 -0.577 1 1 28 . 11 1 1 A 11 11 ARG CB C 11 30.834 33.745 -2.911 1 1 37 . 11 1 1 A 12 12 VAL CA C 12 62.370 60.819 1.551 1 1 38 . 11 1 1 A 12 12 VAL HA H 12 4.205 4.722 -0.517 1 1 39 . 11 1 1 A 12 12 VAL CB C 12 32.571 35.511 -2.940 1 1 48 . 11 1 1 A 13 13 GLY N N 13 113.294 114.426 -1.132 1 1 49 . 11 1 1 A 13 13 GLY H H 13 8.608 8.848 -0.240 1 1 50 . 11 1 1 A 13 13 GLY CA C 13 44.973 44.576 0.397 1 1 51 . 11 1 1 A 13 13 GLY HA3 H 13 4.024 4.301 -0.277 1 1 52 . 11 1 1 A 13 13 GLY HA2 H 13 3.891 4.299 -0.408 1 1 53 . 11 1 1 A 14 14 GLU N N 14 120.644 125.342 -4.698 1 1 54 . 11 1 1 A 14 14 GLU H H 14 8.139 8.643 -0.504 1 1 55 . 11 1 1 A 14 14 GLU CA C 14 54.101 55.046 -0.945 1 1 56 . 11 1 1 A 14 14 GLU HA H 14 4.626 4.554 0.072 1 1 57 . 11 1 1 A 14 14 GLU CB C 14 30.026 29.001 1.025 1 1 63 . 11 1 1 A 15 15 PRO CA C 15 63.731 62.754 0.977 1 1 64 . 11 1 1 A 15 15 PRO HA H 15 4.319 4.749 -0.430 1 1 65 . 11 1 1 A 15 15 PRO CB C 15 31.974 32.228 -0.254 1 1 71 . 11 1 1 A 15 15 PRO C C 15 177.450 176.060 1.390 1 1 75 . 11 1 1 A 16 16 GLY N N 16 109.768 108.284 1.484 1 1 76 . 11 1 1 A 16 16 GLY H H 16 8.577 8.181 0.396 1 1 77 . 11 1 1 A 16 16 GLY CA C 16 45.424 45.589 -0.165 1 1 78 . 11 1 1 A 16 16 GLY HA3 H 16 3.804 4.242 -0.438 1 1 79 . 11 1 1 A 16 16 GLY C C 16 174.160 172.359 1.801 1 1 80 . 11 1 1 A 16 16 GLY HA2 H 16 4.086 4.242 -0.156 1 1 81 . 11 1 1 A 17 17 GLN N N 17 119.726 120.231 -0.505 1 1 82 . 11 1 1 A 17 17 GLN H H 17 7.868 8.320 -0.452 1 1 83 . 11 1 1 A 17 17 GLN CA C 17 55.403 56.556 -1.153 1 1 84 . 11 1 1 A 17 17 GLN HA H 17 4.389 4.199 0.190 1 1 85 . 11 1 1 A 17 17 GLN CB C 17 29.894 29.318 0.576 1 1 92 . 11 1 1 A 17 17 GLN C C 17 175.290 175.401 -0.111 1 1 95 . 11 1 1 A 18 18 ALA N N 18 125.593 129.751 -4.158 1 1 96 . 11 1 1 A 18 18 ALA H H 18 8.469 8.539 -0.070 1 1 97 . 11 1 1 A 18 18 ALA CA C 18 52.389 53.678 -1.289 1 1 98 . 11 1 1 A 18 18 ALA HA H 18 4.448 4.035 0.413 1 1 99 . 11 1 1 A 18 18 ALA CB C 18 19.959 18.661 1.298 1 1 103 . 11 1 1 A 18 18 ALA C C 18 177.464 177.964 -0.500 1 1 104 . 11 1 1 A 19 19 GLY N N 19 109.162 108.275 0.887 1 1 105 . 11 1 1 A 19 19 GLY H H 19 8.294 8.754 -0.460 1 1 106 . 11 1 1 A 19 19 GLY CA C 19 45.270 44.759 0.511 1 1 107 . 11 1 1 A 19 19 GLY HA3 H 19 3.853 4.230 -0.377 1 1 108 . 11 1 1 A 19 19 GLY C C 19 173.012 172.454 0.558 1 1 109 . 11 1 1 A 19 19 GLY HA2 H 19 4.207 4.223 -0.016 1 1 110 . 11 1 1 A 20 20 ASN N N 20 118.861 122.856 -3.995 1 1 111 . 11 1 1 A 20 20 ASN H H 20 8.479 8.725 -0.246 1 1 112 . 11 1 1 A 20 20 ASN CA C 20 50.128 49.605 0.523 1 1 113 . 11 1 1 A 20 20 ASN HA H 20 5.236 5.267 -0.031 1 1 114 . 11 1 1 A 20 20 ASN CB C 20 39.697 41.290 -1.593 1 1 119 . 11 1 1 A 20 20 ASN C C 20 174.482 174.782 -0.300 1 1 121 . 11 1 1 A 21 21 PRO CA C 21 64.588 64.817 -0.229 1 1 122 . 11 1 1 A 21 21 PRO HA H 21 4.312 4.349 -0.037 1 1 123 . 11 1 1 A 21 21 PRO CB C 21 31.950 31.971 -0.021 1 1 129 . 11 1 1 A 21 21 PRO C C 21 177.141 178.408 -1.267 1 1 133 . 11 1 1 A 22 22 ALA N N 22 118.898 119.475 -0.577 1 1 134 . 11 1 1 A 22 22 ALA H H 22 7.918 8.535 -0.617 1 1 135 . 11 1 1 A 22 22 ALA CA C 22 53.499 55.249 -1.750 1 1 136 . 11 1 1 A 22 22 ALA HA H 22 4.386 4.044 0.342 1 1 137 . 11 1 1 A 22 22 ALA CB C 22 18.288 18.282 0.006 1 1 141 . 11 1 1 A 22 22 ALA C C 22 178.115 180.346 -2.231 1 1 142 . 11 1 1 A 23 23 LEU N N 23 116.219 117.564 -1.345 1 1 143 . 11 1 1 A 23 23 LEU H H 23 7.696 8.080 -0.384 1 1 144 . 11 1 1 A 23 23 LEU CA C 23 53.851 58.047 -4.196 1 1 145 . 11 1 1 A 23 23 LEU HA H 23 4.475 3.897 0.578 1 1 146 . 11 1 1 A 23 23 LEU CB C 23 41.958 41.870 0.088 1 1 158 . 11 1 1 A 23 23 LEU C C 23 176.653 177.983 -1.330 1 1 160 . 11 1 1 A 24 24 VAL N N 24 122.233 119.407 2.826 1 1 161 . 11 1 1 A 24 24 VAL H H 24 7.207 7.086 0.121 1 1 162 . 11 1 1 A 24 24 VAL CA C 24 62.768 63.385 -0.617 1 1 163 . 11 1 1 A 24 24 VAL HA H 24 4.081 4.011 0.070 1 1 164 . 11 1 1 A 24 24 VAL CB C 24 32.408 31.523 0.885 1 1 174 . 11 1 1 A 24 24 VAL C C 24 174.702 176.108 -1.406 1 1 175 . 11 1 1 A 25 25 SER N N 25 120.181 122.024 -1.843 1 1 176 . 11 1 1 A 25 25 SER H H 25 8.109 8.565 -0.456 1 1 177 . 11 1 1 A 25 25 SER CA C 25 56.489 56.504 -0.015 1 1 178 . 11 1 1 A 25 25 SER HA H 25 5.159 5.289 -0.130 1 1 179 . 11 1 1 A 25 25 SER CB C 25 66.443 66.877 -0.434 1 1 181 . 11 1 1 A 25 25 SER C C 25 172.102 172.772 -0.670 1 1 183 . 11 1 1 A 26 26 ALA N N 26 124.850 124.362 0.488 1 1 184 . 11 1 1 A 26 26 ALA H H 26 8.839 8.703 0.136 1 1 185 . 11 1 1 A 26 26 ALA CA C 26 50.395 50.992 -0.597 1 1 186 . 11 1 1 A 26 26 ALA HA H 26 5.796 5.008 0.788 1 1 187 . 11 1 1 A 26 26 ALA CB C 26 22.868 22.296 0.572 1 1 191 . 11 1 1 A 26 26 ALA C C 26 175.694 175.079 0.615 1 1 192 . 11 1 1 A 27 27 TYR N N 27 117.541 117.774 -0.233 1 1 193 . 11 1 1 A 27 27 TYR H H 27 8.831 8.307 0.524 1 1 194 . 11 1 1 A 27 27 TYR CA C 27 56.610 55.831 0.779 1 1 195 . 11 1 1 A 27 27 TYR HA H 27 4.851 5.320 -0.469 1 1 196 . 11 1 1 A 27 27 TYR CB C 27 39.737 41.792 -2.055 1 1 206 . 11 1 1 A 27 27 TYR C C 27 173.299 173.936 -0.637 1 1 208 . 11 1 1 A 28 28 GLY N N 28 108.355 106.673 1.682 1 1 209 . 11 1 1 A 28 28 GLY H H 28 8.788 8.528 0.260 1 1 210 . 11 1 1 A 28 28 GLY CA C 28 44.056 45.631 -1.575 1 1 211 . 11 1 1 A 28 28 GLY HA3 H 28 4.304 4.447 -0.143 1 1 212 . 11 1 1 A 28 28 GLY C C 28 176.208 174.085 2.123 1 1 213 . 11 1 1 A 28 28 GLY HA2 H 28 5.047 4.400 0.647 1 1 214 . 11 1 1 A 29 29 THR N N 29 115.659 114.740 0.919 1 1 215 . 11 1 1 A 29 29 THR H H 29 9.027 8.314 0.713 1 1 216 . 11 1 1 A 29 29 THR CA C 29 65.419 63.199 2.220 1 1 217 . 11 1 1 A 29 29 THR HA H 29 4.171 4.460 -0.289 1 1 218 . 11 1 1 A 29 29 THR CB C 29 68.659 70.099 -1.440 1 1 224 . 11 1 1 A 29 29 THR C C 29 178.141 175.370 2.771 1 1 225 . 11 1 1 A 30 30 GLY N N 30 107.400 108.520 -1.120 1 1 226 . 11 1 1 A 30 30 GLY H H 30 8.747 8.244 0.503 1 1 227 . 11 1 1 A 30 30 GLY CA C 30 46.719 45.639 1.080 1 1 228 . 11 1 1 A 30 30 GLY HA3 H 30 3.556 4.026 -0.470 1 1 229 . 11 1 1 A 30 30 GLY C C 30 173.896 174.453 -0.557 1 1 230 . 11 1 1 A 30 30 GLY HA2 H 30 4.483 3.940 0.543 1 1 231 . 11 1 1 A 31 31 LEU N N 31 118.075 119.414 -1.339 1 1 232 . 11 1 1 A 31 31 LEU H H 31 7.389 7.798 -0.409 1 1 233 . 11 1 1 A 31 31 LEU CA C 31 55.799 54.931 0.868 1 1 234 . 11 1 1 A 31 31 LEU HA H 31 3.778 4.364 -0.586 1 1 235 . 11 1 1 A 31 31 LEU CB C 31 41.564 42.175 -0.611 1 1 247 . 11 1 1 A 31 31 LEU C C 31 176.045 177.875 -1.830 1 1 249 . 11 1 1 A 32 32 GLU N N 32 112.872 115.294 -2.422 1 1 250 . 11 1 1 A 32 32 GLU H H 32 7.509 8.234 -0.725 1 1 251 . 11 1 1 A 32 32 GLU CA C 32 56.330 56.251 0.079 1 1 252 . 11 1 1 A 32 32 GLU HA H 32 4.717 4.195 0.522 1 1 253 . 11 1 1 A 32 32 GLU CB C 32 31.924 29.467 2.457 1 1 257 . 11 1 1 A 32 32 GLU C C 32 177.958 176.330 1.628 1 1 260 . 11 1 1 A 33 33 GLY N N 33 107.880 107.697 0.183 1 1 261 . 11 1 1 A 33 33 GLY H H 33 7.822 7.367 0.455 1 1 262 . 11 1 1 A 33 33 GLY CA C 33 45.568 45.518 0.050 1 1 263 . 11 1 1 A 33 33 GLY HA3 H 33 4.125 4.131 -0.006 1 1 264 . 11 1 1 A 33 33 GLY C C 33 172.046 171.903 0.143 1 1 265 . 11 1 1 A 33 33 GLY HA2 H 33 4.661 4.120 0.541 1 1 266 . 11 1 1 A 34 34 GLY N N 34 105.841 106.997 -1.156 1 1 267 . 11 1 1 A 34 34 GLY H H 34 7.740 8.648 -0.908 1 1 268 . 11 1 1 A 34 34 GLY CA C 34 45.215 45.273 -0.058 1 1 269 . 11 1 1 A 34 34 GLY HA3 H 34 3.988 4.182 -0.194 1 1 270 . 11 1 1 A 34 34 GLY C C 34 171.280 172.933 -1.653 1 1 271 . 11 1 1 A 34 34 GLY HA2 H 34 4.030 4.170 -0.140 1 1 272 . 11 1 1 A 35 35 THR N N 35 119.173 116.098 3.075 1 1 273 . 11 1 1 A 35 35 THR H H 35 9.363 8.630 0.733 1 1 274 . 11 1 1 A 35 35 THR CA C 35 60.844 60.767 0.077 1 1 275 . 11 1 1 A 35 35 THR HA H 35 5.177 4.995 0.182 1 1 276 . 11 1 1 A 35 35 THR CB C 35 72.095 70.156 1.939 1 1 282 . 11 1 1 A 35 35 THR C C 35 173.460 173.738 -0.278 1 1 283 . 11 1 1 A 36 36 THR N N 36 116.864 121.795 -4.931 1 1 284 . 11 1 1 A 36 36 THR H H 36 8.425 8.551 -0.126 1 1 285 . 11 1 1 A 36 36 THR CA C 36 62.841 64.761 -1.920 1 1 286 . 11 1 1 A 36 36 THR HA H 36 3.701 4.068 -0.367 1 1 287 . 11 1 1 A 36 36 THR CB C 36 68.447 68.295 0.152 1 1 293 . 11 1 1 A 36 36 THR C C 36 175.396 175.686 -0.290 1 1 294 . 11 1 1 A 37 37 GLY N N 37 107.461 114.277 -6.816 1 1 295 . 11 1 1 A 37 37 GLY H H 37 8.548 8.813 -0.265 1 1 296 . 11 1 1 A 37 37 GLY CA C 37 45.434 45.024 0.410 1 1 297 . 11 1 1 A 37 37 GLY HA3 H 37 3.386 3.970 -0.584 1 1 298 . 11 1 1 A 37 37 GLY C C 37 172.598 173.759 -1.161 1 1 299 . 11 1 1 A 37 37 GLY HA2 H 37 4.024 3.969 0.055 1 1 300 . 11 1 1 A 38 38 ILE N N 38 122.313 122.253 0.060 1 1 301 . 11 1 1 A 38 38 ILE H H 38 7.871 7.486 0.385 1 1 302 . 11 1 1 A 38 38 ILE CA C 38 58.566 59.721 -1.155 1 1 303 . 11 1 1 A 38 38 ILE HA H 38 4.274 4.428 -0.154 1 1 304 . 11 1 1 A 38 38 ILE CB C 38 38.476 39.779 -1.303 1 1 316 . 11 1 1 A 38 38 ILE C C 38 175.081 174.667 0.414 1 1 318 . 11 1 1 A 39 39 GLN N N 39 127.942 126.800 1.142 1 1 319 . 11 1 1 A 39 39 GLN H H 39 8.487 8.522 -0.035 1 1 320 . 11 1 1 A 39 39 GLN CA C 39 57.394 54.881 2.513 1 1 321 . 11 1 1 A 39 39 GLN HA H 39 4.312 4.685 -0.373 1 1 322 . 11 1 1 A 39 39 GLN CB C 39 31.057 29.556 1.501 1 1 329 . 11 1 1 A 39 39 GLN C C 39 176.011 175.591 0.420 1 1 332 . 11 1 1 A 40 40 SER N N 40 125.784 119.226 6.558 1 1 333 . 11 1 1 A 40 40 SER H H 40 9.167 8.239 0.928 1 1 334 . 11 1 1 A 40 40 SER CA C 40 58.188 56.913 1.275 1 1 335 . 11 1 1 A 40 40 SER HA H 40 4.633 4.900 -0.267 1 1 336 . 11 1 1 A 40 40 SER CB C 40 66.149 65.064 1.085 1 1 338 . 11 1 1 A 40 40 SER C C 40 172.625 173.838 -1.213 1 1 340 . 11 1 1 A 41 41 GLU N N 41 117.679 118.522 -0.843 1 1 341 . 11 1 1 A 41 41 GLU H H 41 8.773 9.168 -0.395 1 1 342 . 11 1 1 A 41 41 GLU CA C 41 54.060 54.679 -0.619 1 1 343 . 11 1 1 A 41 41 GLU HA H 41 5.629 5.156 0.473 1 1 344 . 11 1 1 A 41 41 GLU CB C 41 34.053 33.400 0.653 1 1 348 . 11 1 1 A 41 41 GLU C C 41 175.607 174.912 0.695 1 1 351 . 11 1 1 A 42 42 PHE N N 42 116.557 117.208 -0.651 1 1 352 . 11 1 1 A 42 42 PHE H H 42 8.753 8.269 0.484 1 1 353 . 11 1 1 A 42 42 PHE CA C 42 56.847 55.388 1.459 1 1 354 . 11 1 1 A 42 42 PHE HA H 42 4.743 5.538 -0.795 1 1 355 . 11 1 1 A 42 42 PHE CB C 42 40.908 42.516 -1.608 1 1 367 . 11 1 1 A 42 42 PHE C C 42 170.204 172.681 -2.477 1 1 369 . 11 1 1 A 43 43 PHE N N 43 118.643 121.425 -2.782 1 1 370 . 11 1 1 A 43 43 PHE H H 43 9.234 8.773 0.461 1 1 371 . 11 1 1 A 43 43 PHE CA C 43 57.292 57.096 0.196 1 1 372 . 11 1 1 A 43 43 PHE HA H 43 5.041 4.872 0.169 1 1 373 . 11 1 1 A 43 43 PHE CB C 43 42.583 40.740 1.843 1 1 385 . 11 1 1 A 43 43 PHE C C 43 174.177 175.162 -0.985 1 1 387 . 11 1 1 A 44 44 ILE N N 44 120.124 122.390 -2.266 1 1 388 . 11 1 1 A 44 44 ILE H H 44 8.876 8.971 -0.095 1 1 389 . 11 1 1 A 44 44 ILE CA C 44 59.698 60.063 -0.365 1 1 390 . 11 1 1 A 44 44 ILE HA H 44 4.717 4.433 0.284 1 1 391 . 11 1 1 A 44 44 ILE CB C 44 40.591 39.065 1.526 1 1 403 . 11 1 1 A 44 44 ILE C C 44 174.483 174.799 -0.316 1 1 405 . 11 1 1 A 45 45 ASN N N 45 127.058 125.473 1.585 1 1 406 . 11 1 1 A 45 45 ASN H H 45 9.553 9.056 0.497 1 1 407 . 11 1 1 A 45 45 ASN CA C 45 52.099 52.272 -0.173 1 1 408 . 11 1 1 A 45 45 ASN HA H 45 5.380 4.827 0.553 1 1 409 . 11 1 1 A 45 45 ASN CB C 45 39.596 37.895 1.701 1 1 414 . 11 1 1 A 45 45 ASN C C 45 176.821 175.679 1.142 1 1 416 . 11 1 1 A 46 46 THR H H 46 9.223 8.530 0.693 1 1 417 . 11 1 1 A 46 46 THR CA C 46 61.534 63.123 -1.589 1 1 418 . 11 1 1 A 46 46 THR HA H 46 4.368 4.637 -0.269 1 1 419 . 11 1 1 A 46 46 THR CB C 46 68.352 70.579 -2.227 1 1 425 . 11 1 1 A 46 46 THR C C 46 176.816 176.276 0.540 1 1 426 . 11 1 1 A 47 47 THR N N 47 116.732 115.244 1.488 1 1 427 . 11 1 1 A 47 47 THR H H 47 8.368 7.725 0.643 1 1 428 . 11 1 1 A 47 47 THR CA C 47 65.916 64.712 1.204 1 1 429 . 11 1 1 A 47 47 THR HA H 47 4.032 4.033 -0.001 1 1 430 . 11 1 1 A 47 47 THR CB C 47 69.870 68.758 1.112 1 1 436 . 11 1 1 A 47 47 THR C C 47 176.865 175.775 1.090 1 1 437 . 11 1 1 A 48 48 ARG N N 48 119.205 119.495 -0.290 1 1 438 . 11 1 1 A 48 48 ARG H H 48 8.785 8.046 0.739 1 1 439 . 11 1 1 A 48 48 ARG CA C 48 56.273 56.908 -0.635 1 1 440 . 11 1 1 A 48 48 ARG HA H 48 4.488 4.461 0.027 1 1 441 . 11 1 1 A 48 48 ARG CB C 48 30.862 31.144 -0.282 1 1 447 . 11 1 1 A 48 48 ARG C C 48 176.314 178.175 -1.861 1 1 451 . 11 1 1 A 49 49 ALA N N 49 120.807 121.792 -0.985 1 1 452 . 11 1 1 A 49 49 ALA H H 49 7.440 8.111 -0.671 1 1 453 . 11 1 1 A 49 49 ALA CA C 49 53.138 54.160 -1.022 1 1 454 . 11 1 1 A 49 49 ALA HA H 49 4.341 4.200 0.141 1 1 455 . 11 1 1 A 49 49 ALA CB C 49 22.427 19.238 3.189 1 1 459 . 11 1 1 A 49 49 ALA C C 49 177.914 177.671 0.243 1 1 460 . 11 1 1 A 50 50 GLY N N 50 105.941 101.924 4.017 1 1 461 . 11 1 1 A 50 50 GLY H H 50 7.924 7.169 0.755 1 1 462 . 11 1 1 A 50 50 GLY CA C 50 44.229 44.538 -0.309 1 1 463 . 11 1 1 A 50 50 GLY HA3 H 50 4.325 4.113 0.212 1 1 464 . 11 1 1 A 50 50 GLY C C 50 171.089 171.929 -0.840 1 1 465 . 11 1 1 A 50 50 GLY HA2 H 50 3.948 4.106 -0.158 1 1 466 . 11 1 1 A 51 51 PRO CA C 51 63.140 63.248 -0.108 1 1 467 . 11 1 1 A 51 51 PRO HA H 51 4.588 4.476 0.112 1 1 468 . 11 1 1 A 51 51 PRO CB C 51 33.004 33.473 -0.469 1 1 477 . 11 1 1 A 52 52 GLY CA C 52 45.195 44.655 0.540 1 1 478 . 11 1 1 A 52 52 GLY HA3 H 52 3.275 4.187 -0.912 1 1 479 . 11 1 1 A 52 52 GLY HA2 H 52 3.852 4.154 -0.302 1 1 480 . 11 1 1 A 53 53 THR N N 53 114.003 116.351 -2.348 1 1 481 . 11 1 1 A 53 53 THR H H 53 8.049 8.549 -0.500 1 1 482 . 11 1 1 A 53 53 THR CA C 53 62.352 63.498 -1.146 1 1 483 . 11 1 1 A 53 53 THR HA H 53 4.436 4.314 0.122 1 1 484 . 11 1 1 A 53 53 THR CB C 53 69.631 68.766 0.865 1 1 490 . 11 1 1 A 54 54 LEU CA C 54 53.891 53.503 0.388 1 1 491 . 11 1 1 A 54 54 LEU HA H 54 5.077 4.285 0.792 1 1 492 . 11 1 1 A 54 54 LEU CB C 54 44.515 43.124 1.391 1 1 503 . 11 1 1 A 55 55 SER N N 55 120.726 125.133 -4.407 1 1 504 . 11 1 1 A 55 55 SER H H 55 8.783 8.744 0.039 1 1 505 . 11 1 1 A 55 55 SER CA C 55 56.249 57.180 -0.931 1 1 506 . 11 1 1 A 55 55 SER HA H 55 5.092 5.306 -0.214 1 1 507 . 11 1 1 A 55 55 SER CB C 55 65.032 65.531 -0.499 1 1 509 . 11 1 1 A 55 55 SER C C 55 173.165 173.270 -0.105 1 1 511 . 11 1 1 A 56 56 VAL N N 56 126.234 125.558 0.676 1 1 512 . 11 1 1 A 56 56 VAL H H 56 8.336 8.948 -0.612 1 1 513 . 11 1 1 A 56 56 VAL CA C 56 60.515 60.643 -0.128 1 1 514 . 11 1 1 A 56 56 VAL HA H 56 5.134 5.016 0.118 1 1 515 . 11 1 1 A 56 56 VAL CB C 56 34.463 34.249 0.214 1 1 520 . 11 1 1 A 56 56 VAL C C 56 174.718 174.843 -0.125 1 1 521 . 11 1 1 A 57 57 THR N N 57 120.539 121.448 -0.909 1 1 522 . 11 1 1 A 57 57 THR H H 57 8.828 8.836 -0.008 1 1 523 . 11 1 1 A 57 57 THR CA C 57 60.580 61.440 -0.860 1 1 524 . 11 1 1 A 57 57 THR HA H 57 5.132 4.937 0.195 1 1 525 . 11 1 1 A 57 57 THR CB C 57 72.187 72.313 -0.126 1 1 531 . 11 1 1 A 57 57 THR C C 57 172.970 173.575 -0.605 1 1 532 . 11 1 1 A 58 58 ILE N N 58 123.949 125.040 -1.091 1 1 533 . 11 1 1 A 58 58 ILE H H 58 9.249 8.934 0.315 1 1 534 . 11 1 1 A 58 58 ILE CA C 58 61.297 59.680 1.617 1 1 535 . 11 1 1 A 58 58 ILE HA H 58 5.001 5.301 -0.300 1 1 536 . 11 1 1 A 58 58 ILE CB C 58 39.755 42.368 -2.613 1 1 548 . 11 1 1 A 58 58 ILE C C 58 174.848 174.245 0.603 1 1 550 . 11 1 1 A 59 59 GLU N N 59 129.027 124.993 4.034 1 1 551 . 11 1 1 A 59 59 GLU H H 59 8.966 8.891 0.075 1 1 552 . 11 1 1 A 59 59 GLU CA C 59 53.911 55.065 -1.154 1 1 553 . 11 1 1 A 59 59 GLU HA H 59 5.427 5.226 0.201 1 1 554 . 11 1 1 A 59 59 GLU CB C 59 33.843 33.721 0.122 1 1 558 . 11 1 1 A 59 59 GLU C C 59 175.342 174.975 0.367 1 1 561 . 11 1 1 A 60 60 GLY N N 60 110.765 111.372 -0.607 1 1 562 . 11 1 1 A 60 60 GLY H H 60 8.597 8.256 0.341 1 1 563 . 11 1 1 A 60 60 GLY CA C 60 45.997 44.809 1.188 1 1 564 . 11 1 1 A 60 60 GLY HA3 H 60 3.908 3.828 0.080 1 1 565 . 11 1 1 A 60 60 GLY C C 60 171.205 174.020 -2.815 1 1 566 . 11 1 1 A 60 60 GLY HA2 H 60 3.685 3.327 0.358 1 1 567 . 11 1 1 A 61 61 PRO CA C 61 64.057 64.314 -0.257 1 1 568 . 11 1 1 A 61 61 PRO HA H 61 4.415 4.330 0.085 1 1 569 . 11 1 1 A 61 61 PRO CB C 61 32.143 32.095 0.048 1 1 575 . 11 1 1 A 61 61 PRO C C 61 175.925 176.116 -0.191 1 1 579 . 11 1 1 A 62 62 SER N N 62 108.413 112.333 -3.920 1 1 580 . 11 1 1 A 62 62 SER H H 62 7.144 7.613 -0.469 1 1 581 . 11 1 1 A 62 62 SER CA C 62 57.037 56.668 0.369 1 1 582 . 11 1 1 A 62 62 SER HA H 62 4.596 4.903 -0.307 1 1 583 . 11 1 1 A 62 62 SER CB C 62 66.522 65.316 1.206 1 1 585 . 11 1 1 A 62 62 SER C C 62 172.446 172.766 -0.320 1 1 587 . 11 1 1 A 63 63 LYS N N 63 122.539 126.297 -3.758 1 1 588 . 11 1 1 A 63 63 LYS H H 63 8.620 8.570 0.050 1 1 589 . 11 1 1 A 63 63 LYS CA C 63 56.407 56.330 0.077 1 1 590 . 11 1 1 A 63 63 LYS HA H 63 4.267 4.564 -0.297 1 1 591 . 11 1 1 A 63 63 LYS CB C 63 32.576 33.068 -0.492 1 1 596 . 11 1 1 A 63 63 LYS C C 63 176.658 176.414 0.244 1 1 601 . 11 1 1 A 64 64 VAL N N 64 120.278 121.114 -0.836 1 1 602 . 11 1 1 A 64 64 VAL H H 64 8.554 9.027 -0.473 1 1 603 . 11 1 1 A 64 64 VAL CA C 64 60.425 59.399 1.026 1 1 604 . 11 1 1 A 64 64 VAL HA H 64 4.460 5.076 -0.616 1 1 605 . 11 1 1 A 64 64 VAL CB C 64 32.938 34.751 -1.813 1 1 615 . 11 1 1 A 64 64 VAL C C 64 176.629 175.300 1.329 1 1 616 . 11 1 1 A 65 65 LYS N N 65 121.529 120.904 0.625 1 1 617 . 11 1 1 A 65 65 LYS H H 65 8.139 8.697 -0.558 1 1 618 . 11 1 1 A 65 65 LYS CA C 65 56.181 55.268 0.913 1 1 619 . 11 1 1 A 65 65 LYS HA H 65 4.474 4.985 -0.511 1 1 620 . 11 1 1 A 65 65 LYS CB C 65 32.960 34.547 -1.587 1 1 627 . 11 1 1 A 65 65 LYS C C 65 176.309 175.200 1.109 1 1 632 . 11 1 1 A 66 66 MET N N 66 125.382 121.300 4.082 1 1 633 . 11 1 1 A 66 66 MET H H 66 8.811 8.920 -0.109 1 1 634 . 11 1 1 A 66 66 MET CA C 66 55.055 54.037 1.018 1 1 635 . 11 1 1 A 66 66 MET HA H 66 5.393 5.730 -0.337 1 1 636 . 11 1 1 A 66 66 MET CB C 66 37.398 34.571 2.827 1 1 644 . 11 1 1 A 66 66 MET C C 66 174.026 174.926 -0.900 1 1 647 . 11 1 1 A 67 67 ASP N N 67 122.714 123.888 -1.174 1 1 648 . 11 1 1 A 67 67 ASP H H 67 8.995 8.681 0.314 1 1 649 . 11 1 1 A 67 67 ASP CA C 67 53.231 54.278 -1.047 1 1 650 . 11 1 1 A 67 67 ASP HA H 67 4.854 4.941 -0.087 1 1 651 . 11 1 1 A 67 67 ASP CB C 67 44.980 40.803 4.177 1 1 654 . 11 1 1 A 68 68 CYS H H 68 8.412 8.410 0.002 1 1 655 . 11 1 1 A 68 68 CYS CA C 68 56.390 59.536 -3.146 1 1 656 . 11 1 1 A 68 68 CYS HA H 68 5.288 4.545 0.743 1 1 657 . 11 1 1 A 68 68 CYS CB C 68 28.188 28.282 -0.094 1 1 660 . 11 1 1 A 69 69 GLN N N 69 125.044 122.634 2.410 1 1 661 . 11 1 1 A 69 69 GLN H H 69 9.116 8.591 0.525 1 1 662 . 11 1 1 A 69 69 GLN CA C 69 56.403 54.778 1.625 1 1 663 . 11 1 1 A 69 69 GLN HA H 69 5.290 4.749 0.541 1 1 664 . 11 1 1 A 69 69 GLN CB C 69 32.962 33.081 -0.119 1 1 671 . 11 1 1 A 70 70 GLU N N 70 125.781 122.419 3.362 1 1 672 . 11 1 1 A 70 70 GLU H H 70 8.979 8.604 0.375 1 1 673 . 11 1 1 A 70 70 GLU CA C 70 56.418 56.022 0.396 1 1 674 . 11 1 1 A 70 70 GLU HA H 70 4.029 4.765 -0.736 1 1 675 . 11 1 1 A 70 70 GLU CB C 70 30.585 30.597 -0.012 1 1 681 . 11 1 1 A 71 71 THR N N 71 118.158 112.016 6.142 1 1 682 . 11 1 1 A 71 71 THR H H 71 8.455 7.942 0.513 1 1 683 . 11 1 1 A 71 71 THR CA C 71 59.209 58.733 0.476 1 1 684 . 11 1 1 A 71 71 THR HA H 71 4.902 4.820 0.082 1 1 685 . 11 1 1 A 71 71 THR CB C 71 68.926 70.855 -1.929 1 1 691 . 11 1 1 A 72 72 PRO CA C 72 65.290 64.421 0.869 1 1 692 . 11 1 1 A 72 72 PRO HA H 72 4.296 4.484 -0.188 1 1 693 . 11 1 1 A 72 72 PRO CB C 72 31.848 31.703 0.145 1 1 699 . 11 1 1 A 72 72 PRO C C 72 177.476 177.522 -0.046 1 1 703 . 11 1 1 A 73 73 GLU N N 73 112.293 117.795 -5.502 1 1 704 . 11 1 1 A 73 73 GLU H H 73 7.562 8.258 -0.696 1 1 705 . 11 1 1 A 73 73 GLU CA C 73 55.577 56.630 -1.053 1 1 706 . 11 1 1 A 73 73 GLU HA H 73 4.370 4.477 -0.107 1 1 707 . 11 1 1 A 73 73 GLU CB C 73 30.787 30.927 -0.140 1 1 711 . 11 1 1 A 73 73 GLU C C 73 174.438 176.223 -1.785 1 1 714 . 11 1 1 A 74 74 GLY N N 74 109.223 107.225 1.998 1 1 715 . 11 1 1 A 74 74 GLY H H 74 7.324 7.252 0.072 1 1 716 . 11 1 1 A 74 74 GLY CA C 74 47.146 45.419 1.727 1 1 717 . 11 1 1 A 74 74 GLY HA3 H 74 3.551 3.999 -0.448 1 1 718 . 11 1 1 A 74 74 GLY C C 74 172.589 171.505 1.084 1 1 719 . 11 1 1 A 74 74 GLY HA2 H 74 4.949 3.762 1.187 1 1 720 . 11 1 1 A 75 75 TYR N N 75 123.117 121.244 1.873 1 1 721 . 11 1 1 A 75 75 TYR H H 75 8.883 8.448 0.435 1 1 722 . 11 1 1 A 75 75 TYR CA C 75 57.566 56.411 1.155 1 1 723 . 11 1 1 A 75 75 TYR HA H 75 5.171 5.283 -0.112 1 1 724 . 11 1 1 A 75 75 TYR CB C 75 44.111 41.449 2.662 1 1 734 . 11 1 1 A 75 75 TYR C C 75 173.925 174.281 -0.356 1 1 736 . 11 1 1 A 76 76 LYS N N 76 124.633 125.558 -0.925 1 1 737 . 11 1 1 A 76 76 LYS H H 76 9.390 8.419 0.971 1 1 738 . 11 1 1 A 76 76 LYS CA C 76 55.055 55.934 -0.879 1 1 739 . 11 1 1 A 76 76 LYS HA H 76 4.594 4.358 0.236 1 1 740 . 11 1 1 A 76 76 LYS CB C 76 35.124 33.273 1.851 1 1 748 . 11 1 1 A 76 76 LYS C C 76 174.069 175.082 -1.013 1 1 753 . 11 1 1 A 77 77 VAL N N 77 126.947 125.906 1.041 1 1 754 . 11 1 1 A 77 77 VAL H H 77 8.607 7.838 0.769 1 1 755 . 11 1 1 A 77 77 VAL CA C 77 60.894 60.243 0.651 1 1 756 . 11 1 1 A 77 77 VAL HA H 77 4.280 4.682 -0.402 1 1 757 . 11 1 1 A 77 77 VAL CB C 77 32.115 33.926 -1.811 1 1 767 . 11 1 1 A 77 77 VAL C C 77 173.586 174.598 -1.012 1 1 768 . 11 1 1 A 78 78 MET N N 78 123.986 124.531 -0.545 1 1 769 . 11 1 1 A 78 78 MET H H 78 8.410 8.673 -0.263 1 1 770 . 11 1 1 A 78 78 MET CA C 78 53.236 54.098 -0.862 1 1 771 . 11 1 1 A 78 78 MET HA H 78 5.290 5.287 0.003 1 1 772 . 11 1 1 A 78 78 MET CB C 78 36.873 36.541 0.332 1 1 780 . 11 1 1 A 78 78 MET C C 78 174.665 174.385 0.280 1 1 783 . 11 1 1 A 79 79 TYR N N 79 117.488 118.422 -0.934 1 1 784 . 11 1 1 A 79 79 TYR H H 79 8.739 8.339 0.400 1 1 785 . 11 1 1 A 79 79 TYR CA C 79 56.011 56.352 -0.341 1 1 786 . 11 1 1 A 79 79 TYR HA H 79 5.654 5.253 0.401 1 1 787 . 11 1 1 A 79 79 TYR CB C 79 41.549 41.382 0.167 1 1 797 . 11 1 1 A 79 79 TYR C C 79 172.927 172.865 0.062 1 1 799 . 11 1 1 A 80 80 THR H H 80 8.383 8.793 -0.410 1 1 800 . 11 1 1 A 80 80 THR CA C 80 58.611 59.012 -0.401 1 1 801 . 11 1 1 A 80 80 THR HA H 80 4.978 4.646 0.332 1 1 802 . 11 1 1 A 80 80 THR CB C 80 70.258 70.544 -0.286 1 1 808 . 11 1 1 A 81 81 PRO CA C 81 61.531 62.658 -1.127 1 1 809 . 11 1 1 A 81 81 PRO HA H 81 4.532 4.761 -0.229 1 1 810 . 11 1 1 A 81 81 PRO CB C 81 32.774 31.701 1.073 1 1 819 . 11 1 1 A 82 82 MET N N 82 117.590 123.430 -5.840 1 1 820 . 11 1 1 A 82 82 MET H H 82 8.299 8.871 -0.572 1 1 821 . 11 1 1 A 82 82 MET CA C 82 53.882 57.582 -3.700 1 1 822 . 11 1 1 A 82 82 MET HA H 82 4.851 4.512 0.339 1 1 823 . 11 1 1 A 82 82 MET CB C 82 33.337 33.931 -0.594 1 1 831 . 11 1 1 A 82 82 MET C C 82 174.339 176.082 -1.743 1 1 834 . 11 1 1 A 83 83 ALA N N 83 119.196 120.031 -0.835 1 1 835 . 11 1 1 A 83 83 ALA H H 83 7.076 7.815 -0.739 1 1 836 . 11 1 1 A 83 83 ALA CA C 83 49.425 49.474 -0.049 1 1 837 . 11 1 1 A 83 83 ALA HA H 83 4.791 4.775 0.016 1 1 838 . 11 1 1 A 83 83 ALA CB C 83 20.682 20.960 -0.278 1 1 842 . 11 1 1 A 83 83 ALA C C 83 174.364 175.058 -0.694 1 1 843 . 11 1 1 A 84 84 PRO CA C 84 62.540 63.188 -0.648 1 1 844 . 11 1 1 A 84 84 PRO HA H 84 4.244 4.568 -0.324 1 1 845 . 11 1 1 A 84 84 PRO CB C 84 32.615 33.253 -0.638 1 1 851 . 11 1 1 A 84 84 PRO C C 84 174.214 176.105 -1.891 1 1 855 . 11 1 1 A 85 85 GLY N N 85 105.436 108.477 -3.041 1 1 856 . 11 1 1 A 85 85 GLY H H 85 8.855 8.349 0.506 1 1 857 . 11 1 1 A 85 85 GLY CA C 85 44.156 44.569 -0.413 1 1 858 . 11 1 1 A 85 85 GLY HA3 H 85 3.761 4.238 -0.477 1 1 859 . 11 1 1 A 85 85 GLY C C 85 171.801 172.206 -0.405 1 1 860 . 11 1 1 A 85 85 GLY HA2 H 85 4.515 4.212 0.303 1 1 861 . 11 1 1 A 86 86 ASN N N 86 119.042 118.809 0.233 1 1 862 . 11 1 1 A 86 86 ASN H H 86 8.573 8.549 0.024 1 1 863 . 11 1 1 A 86 86 ASN CA C 86 52.499 52.047 0.452 1 1 864 . 11 1 1 A 86 86 ASN HA H 86 5.517 5.696 -0.179 1 1 865 . 11 1 1 A 86 86 ASN CB C 86 39.390 40.480 -1.090 1 1 870 . 11 1 1 A 86 86 ASN C C 86 174.453 173.752 0.701 1 1 872 . 11 1 1 A 87 87 TYR N N 87 122.992 123.301 -0.309 1 1 873 . 11 1 1 A 87 87 TYR H H 87 9.369 9.039 0.330 1 1 874 . 11 1 1 A 87 87 TYR CA C 87 56.366 56.985 -0.619 1 1 875 . 11 1 1 A 87 87 TYR HA H 87 5.140 5.486 -0.346 1 1 876 . 11 1 1 A 87 87 TYR CB C 87 40.267 41.305 -1.038 1 1 886 . 11 1 1 A 87 87 TYR C C 87 174.332 174.648 -0.316 1 1 888 . 11 1 1 A 88 88 LEU N N 88 124.720 121.057 3.663 1 1 889 . 11 1 1 A 88 88 LEU H H 88 9.306 8.933 0.373 1 1 890 . 11 1 1 A 88 88 LEU CA C 88 53.426 54.143 -0.717 1 1 891 . 11 1 1 A 88 88 LEU HA H 88 5.253 5.169 0.084 1 1 892 . 11 1 1 A 88 88 LEU CB C 88 44.487 46.429 -1.942 1 1 904 . 11 1 1 A 88 88 LEU C C 88 177.074 174.240 2.834 1 1 906 . 11 1 1 A 89 89 ILE N N 89 130.469 126.176 4.293 1 1 907 . 11 1 1 A 89 89 ILE H H 89 9.807 8.816 0.991 1 1 908 . 11 1 1 A 89 89 ILE CA C 89 60.792 60.372 0.420 1 1 909 . 11 1 1 A 89 89 ILE HA H 89 4.851 5.113 -0.262 1 1 910 . 11 1 1 A 89 89 ILE CB C 89 39.662 41.009 -1.347 1 1 922 . 11 1 1 A 89 89 ILE C C 89 175.605 174.949 0.656 1 1 924 . 11 1 1 A 90 90 SER N N 90 123.845 125.060 -1.215 1 1 925 . 11 1 1 A 90 90 SER H H 90 9.540 8.804 0.736 1 1 926 . 11 1 1 A 90 90 SER CA C 90 58.036 57.728 0.308 1 1 927 . 11 1 1 A 90 90 SER HA H 90 5.199 5.125 0.074 1 1 928 . 11 1 1 A 90 90 SER CB C 90 64.133 64.221 -0.088 1 1 930 . 11 1 1 A 90 90 SER C C 90 173.566 173.672 -0.106 1 1 932 . 11 1 1 A 91 91 VAL N N 91 128.427 126.854 1.573 1 1 933 . 11 1 1 A 91 91 VAL H H 91 9.918 9.174 0.744 1 1 934 . 11 1 1 A 91 91 VAL CA C 91 61.447 61.277 0.170 1 1 935 . 11 1 1 A 91 91 VAL HA H 91 4.837 4.940 -0.103 1 1 936 . 11 1 1 A 91 91 VAL CB C 91 33.761 34.305 -0.544 1 1 946 . 11 1 1 A 91 91 VAL C C 91 173.296 174.895 -1.599 1 1 947 . 11 1 1 A 92 92 LYS N N 92 125.779 126.719 -0.940 1 1 948 . 11 1 1 A 92 92 LYS H H 92 8.892 9.036 -0.144 1 1 949 . 11 1 1 A 92 92 LYS CA C 92 54.468 54.648 -0.180 1 1 950 . 11 1 1 A 92 92 LYS HA H 92 5.065 5.127 -0.062 1 1 951 . 11 1 1 A 92 92 LYS CB C 92 36.106 35.646 0.460 1 1 959 . 11 1 1 A 92 92 LYS C C 92 175.189 175.633 -0.444 1 1 964 . 11 1 1 A 93 93 TYR N N 93 120.251 121.088 -0.837 1 1 965 . 11 1 1 A 93 93 TYR H H 93 8.061 9.065 -1.004 1 1 966 . 11 1 1 A 93 93 TYR CA C 93 56.884 56.795 0.089 1 1 967 . 11 1 1 A 93 93 TYR HA H 93 5.522 5.313 0.209 1 1 968 . 11 1 1 A 93 93 TYR CB C 93 44.120 40.981 3.139 1 1 978 . 11 1 1 A 93 93 TYR C C 93 175.517 176.343 -0.826 1 1 980 . 11 1 1 A 94 94 GLY N N 94 114.148 113.731 0.417 1 1 981 . 11 1 1 A 94 94 GLY H H 94 8.274 8.643 -0.369 1 1 982 . 11 1 1 A 94 94 GLY CA C 94 45.959 47.081 -1.122 1 1 983 . 11 1 1 A 94 94 GLY HA3 H 94 3.705 3.837 -0.132 1 1 984 . 11 1 1 A 94 94 GLY C C 94 173.595 174.137 -0.542 1 1 985 . 11 1 1 A 94 94 GLY HA2 H 94 3.877 3.805 0.072 1 1 986 . 11 1 1 A 95 95 GLY N N 95 107.010 108.164 -1.154 1 1 987 . 11 1 1 A 95 95 GLY H H 95 7.452 8.438 -0.986 1 1 988 . 11 1 1 A 95 95 GLY CA C 95 43.954 44.501 -0.547 1 1 989 . 11 1 1 A 95 95 GLY HA3 H 95 3.618 4.097 -0.479 1 1 990 . 11 1 1 A 95 95 GLY C C 95 172.825 173.884 -1.059 1 1 991 . 11 1 1 A 95 95 GLY HA2 H 95 4.507 4.092 0.415 1 1 992 . 11 1 1 A 96 96 PRO CA C 96 63.221 64.712 -1.491 1 1 993 . 11 1 1 A 96 96 PRO HA H 96 4.413 4.450 -0.037 1 1 994 . 11 1 1 A 96 96 PRO CB C 96 30.955 31.973 -1.018 1 1 1000 . 11 1 1 A 96 96 PRO C C 96 175.901 176.342 -0.441 1 1 1004 . 11 1 1 A 97 97 ASN N N 97 119.942 117.360 2.582 1 1 1005 . 11 1 1 A 97 97 ASN H H 97 8.172 7.915 0.257 1 1 1006 . 11 1 1 A 97 97 ASN CA C 97 52.914 53.383 -0.469 1 1 1007 . 11 1 1 A 97 97 ASN HA H 97 4.864 4.586 0.278 1 1 1008 . 11 1 1 A 97 97 ASN CB C 97 39.806 38.368 1.438 1 1 1013 . 11 1 1 A 97 97 ASN C C 97 174.285 175.596 -1.311 1 1 1015 . 11 1 1 A 98 98 HIS N N 98 121.803 122.712 -0.909 1 1 1016 . 11 1 1 A 98 98 HIS H H 98 8.456 8.370 0.086 1 1 1017 . 11 1 1 A 98 98 HIS CA C 98 58.023 55.116 2.907 1 1 1018 . 11 1 1 A 98 98 HIS HA H 98 4.475 4.850 -0.375 1 1 1019 . 11 1 1 A 98 98 HIS CB C 98 33.382 31.485 1.897 1 1 1025 . 11 1 1 A 98 98 HIS C C 98 177.938 175.515 2.423 1 1 1027 . 11 1 1 A 99 99 ILE N N 99 115.599 116.364 -0.765 1 1 1028 . 11 1 1 A 99 99 ILE H H 99 8.237 8.385 -0.148 1 1 1029 . 11 1 1 A 99 99 ILE CA C 99 60.895 59.829 1.066 1 1 1030 . 11 1 1 A 99 99 ILE HA H 99 4.545 4.127 0.418 1 1 1031 . 11 1 1 A 99 99 ILE CB C 99 38.675 39.678 -1.003 1 1 1043 . 11 1 1 A 99 99 ILE C C 99 176.165 175.673 0.492 1 1 1045 . 11 1 1 A 100 100 VAL H H 100 8.389 8.331 0.058 1 1 1046 . 11 1 1 A 100 100 VAL CA C 100 65.835 65.048 0.787 1 1 1047 . 11 1 1 A 100 100 VAL HA H 100 3.673 3.672 0.001 1 1 1048 . 11 1 1 A 100 100 VAL CB C 100 31.169 31.469 -0.300 1 1 1058 . 11 1 1 A 101 101 GLY N N 101 116.014 115.537 0.477 1 1 1059 . 11 1 1 A 101 101 GLY H H 101 8.297 8.937 -0.640 1 1 1060 . 11 1 1 A 101 101 GLY CA C 101 44.626 45.295 -0.669 1 1 1061 . 11 1 1 A 101 101 GLY HA3 H 101 3.227 4.048 -0.821 1 1 1062 . 11 1 1 A 101 101 GLY C C 101 171.863 174.237 -2.374 1 1 1063 . 11 1 1 A 101 101 GLY HA2 H 101 4.207 4.002 0.205 1 1 1064 . 11 1 1 A 102 102 SER N N 102 111.977 117.163 -5.186 1 1 1065 . 11 1 1 A 102 102 SER H H 102 7.304 7.641 -0.337 1 1 1066 . 11 1 1 A 102 102 SER CA C 102 54.570 57.368 -2.798 1 1 1067 . 11 1 1 A 102 102 SER HA H 102 3.915 3.622 0.293 1 1 1068 . 11 1 1 A 102 102 SER CB C 102 62.569 63.209 -0.640 1 1 1071 . 11 1 1 A 103 103 PRO CA C 103 62.215 62.217 -0.002 1 1 1072 . 11 1 1 A 103 103 PRO HA H 103 5.475 4.263 1.212 1 1 1073 . 11 1 1 A 103 103 PRO CB C 103 33.552 32.154 1.398 1 1 1079 . 11 1 1 A 103 103 PRO C C 103 175.646 175.819 -0.173 1 1 1083 . 11 1 1 A 104 104 PHE N N 104 123.291 121.151 2.140 1 1 1084 . 11 1 1 A 104 104 PHE H H 104 9.465 8.212 1.253 1 1 1085 . 11 1 1 A 104 104 PHE CA C 104 57.015 57.436 -0.421 1 1 1086 . 11 1 1 A 104 104 PHE HA H 104 4.531 4.872 -0.341 1 1 1087 . 11 1 1 A 104 104 PHE CB C 104 40.607 40.210 0.397 1 1 1099 . 11 1 1 A 104 104 PHE C C 104 175.305 175.212 0.093 1 1 1101 . 11 1 1 A 105 105 LYS N N 105 123.989 121.948 2.041 1 1 1102 . 11 1 1 A 105 105 LYS H H 105 8.712 9.146 -0.434 1 1 1103 . 11 1 1 A 105 105 LYS CA C 105 55.868 55.497 0.371 1 1 1104 . 11 1 1 A 105 105 LYS HA H 105 4.913 5.088 -0.175 1 1 1105 . 11 1 1 A 105 105 LYS CB C 105 32.762 34.116 -1.354 1 1 1113 . 11 1 1 A 105 105 LYS C C 105 174.065 175.438 -1.373 1 1 1118 . 11 1 1 A 106 106 ALA N N 106 129.654 128.377 1.277 1 1 1119 . 11 1 1 A 106 106 ALA H H 106 8.964 8.633 0.331 1 1 1120 . 11 1 1 A 106 106 ALA CA C 106 50.325 50.550 -0.225 1 1 1121 . 11 1 1 A 106 106 ALA HA H 106 4.497 5.309 -0.812 1 1 1122 . 11 1 1 A 106 106 ALA CB C 106 20.496 20.854 -0.358 1 1 1126 . 11 1 1 A 106 106 ALA C C 106 176.111 175.714 0.397 1 1 1127 . 11 1 1 A 107 107 LYS N N 107 124.155 123.230 0.925 1 1 1128 . 11 1 1 A 107 107 LYS H H 107 7.955 8.678 -0.723 1 1 1129 . 11 1 1 A 107 107 LYS CA C 107 55.904 54.896 1.008 1 1 1130 . 11 1 1 A 107 107 LYS HA H 107 4.950 4.882 0.068 1 1 1131 . 11 1 1 A 107 107 LYS CB C 107 33.755 34.259 -0.504 1 1 1139 . 11 1 1 A 107 107 LYS C C 107 175.350 175.338 0.012 1 1 1144 . 11 1 1 A 108 108 VAL N N 108 128.726 127.890 0.836 1 1 1145 . 11 1 1 A 108 108 VAL H H 108 9.373 8.809 0.564 1 1 1146 . 11 1 1 A 108 108 VAL CA C 108 60.804 61.418 -0.614 1 1 1147 . 11 1 1 A 108 108 VAL HA H 108 4.851 4.911 -0.060 1 1 1148 . 11 1 1 A 108 108 VAL CB C 108 33.175 32.715 0.460 1 1 1158 . 11 1 1 A 108 108 VAL C C 108 177.017 175.140 1.877 1 1 1159 . 11 1 1 A 109 109 THR N N 109 121.067 115.987 5.080 1 1 1160 . 11 1 1 A 109 109 THR H H 109 8.527 8.523 0.004 1 1 1161 . 11 1 1 A 109 109 THR CA C 109 60.138 59.898 0.240 1 1 1162 . 11 1 1 A 109 109 THR HA H 109 4.864 4.971 -0.107 1 1 1163 . 11 1 1 A 109 109 THR CB C 109 70.960 71.511 -0.551 1 1 1169 . 11 1 1 A 109 109 THR C C 109 173.130 173.061 0.069 1 1 1170 . 11 1 1 A 110 110 GLY N N 110 106.893 107.972 -1.079 1 1 1171 . 11 1 1 A 110 110 GLY H H 110 8.404 8.319 0.085 1 1 1172 . 11 1 1 A 110 110 GLY CA C 110 43.888 44.256 -0.368 1 1 1173 . 11 1 1 A 110 110 GLY HA3 H 110 3.851 4.161 -0.310 1 1 1174 . 11 1 1 A 110 110 GLY C C 110 173.870 171.704 2.166 1 1 1175 . 11 1 1 A 110 110 GLY HA2 H 110 4.773 4.160 0.613 1 1 1176 . 11 1 1 A 111 111 GLN N N 111 116.999 120.439 -3.440 1 1 1177 . 11 1 1 A 111 111 GLN H H 111 8.234 8.297 -0.063 1 1 1178 . 11 1 1 A 111 111 GLN CA C 111 55.230 54.114 1.116 1 1 1179 . 11 1 1 A 111 111 GLN HA H 111 4.269 5.017 -0.748 1 1 1180 . 11 1 1 A 111 111 GLN CB C 111 30.118 31.416 -1.298 1 1 1187 . 11 1 1 A 111 111 GLN C C 111 176.550 175.731 0.819 1 1 1190 . 11 1 1 A 112 112 ARG N N 112 122.131 125.854 -3.723 1 1 1191 . 11 1 1 A 112 112 ARG H H 112 8.832 8.455 0.377 1 1 1192 . 11 1 1 A 112 112 ARG CA C 112 57.384 57.019 0.365 1 1 1193 . 11 1 1 A 112 112 ARG HA H 112 4.300 4.169 0.131 1 1 1194 . 11 1 1 A 112 112 ARG CB C 112 30.059 30.272 -0.213 1 1 1200 . 11 1 1 A 112 112 ARG C C 112 175.836 176.168 -0.332 1 1 1204 . 11 1 1 A 113 113 LEU N N 113 126.764 126.407 0.357 1 1 1205 . 11 1 1 A 113 113 LEU H H 113 8.424 8.314 0.110 1 1 1206 . 11 1 1 A 113 113 LEU CA C 113 54.919 54.243 0.676 1 1 1207 . 11 1 1 A 113 113 LEU HA H 113 4.517 4.498 0.019 1 1 1208 . 11 1 1 A 113 113 LEU CB C 113 42.706 42.133 0.573 1 1 1220 . 11 1 1 A 113 113 LEU C C 113 176.521 176.506 0.015 1 1 1222 . 11 1 1 A 116 116 PRO CA C 116 63.729 64.932 -1.203 1 1 1223 . 11 1 1 A 116 116 PRO HA H 116 4.436 4.345 0.091 1 1 1224 . 11 1 1 A 116 116 PRO CB C 116 32.182 31.979 0.203 1 1 1233 . 11 1 1 A 117 117 GLY N N 117 110.092 109.849 0.243 1 1 1234 . 11 1 1 A 117 117 GLY H H 117 8.493 8.308 0.185 1 1 1235 . 11 1 1 A 118 118 SER CA C 118 58.420 57.638 0.782 1 1 1236 . 11 1 1 A 118 118 SER HA H 118 4.454 4.750 -0.296 1 1 1237 . 11 1 1 A 118 118 SER CB C 118 64.014 62.259 1.755 1 1 1239 . 11 1 1 A 118 118 SER C C 118 174.495 173.315 1.180 1 1 1241 . 11 1 1 A 119 119 ALA N N 119 125.244 128.541 -3.297 1 1 1242 . 11 1 1 A 119 119 ALA H H 119 8.365 8.642 -0.277 1 1 1243 . 11 1 1 A 119 119 ALA CA C 119 52.697 50.901 1.796 1 1 1244 . 11 1 1 A 119 119 ALA HA H 119 4.333 4.944 -0.611 1 1 1245 . 11 1 1 A 119 119 ALA CB C 119 19.378 20.248 -0.870 1 1 1249 . 11 1 1 A 119 119 ALA C C 119 177.362 176.658 0.704 1 1 1250 . 11 1 1 A 120 120 ASN N N 120 117.122 122.095 -4.973 1 1 1251 . 11 1 1 A 120 120 ASN H H 120 8.311 9.042 -0.731 1 1 1252 . 11 1 1 A 120 120 ASN CA C 120 53.198 51.314 1.884 1 1 1253 . 11 1 1 A 120 120 ASN HA H 120 4.659 5.624 -0.965 1 1 1254 . 11 1 1 A 120 120 ASN CB C 120 38.852 42.284 -3.432 1 1 1259 . 11 1 1 A 120 120 ASN C C 120 175.112 173.123 1.989 1 1 1261 . 11 1 1 A 122 122 THR CA C 122 61.947 61.224 0.723 1 1 1262 . 11 1 1 A 122 122 THR HA H 122 4.197 4.716 -0.519 1 1 1263 . 11 1 1 A 122 122 THR CB C 122 69.949 69.991 -0.042 1 1 1 . 12 1 1 A 9 9 LYS N N 9 120.806 122.058 -1.252 1 1 2 . 12 1 1 A 9 9 LYS H H 9 8.548 8.380 0.168 1 1 3 . 12 1 1 A 9 9 LYS CA C 9 56.358 56.378 -0.020 1 1 4 . 12 1 1 A 9 9 LYS HA H 9 4.261 4.557 -0.296 1 1 5 . 12 1 1 A 9 9 LYS CB C 9 32.673 34.010 -1.337 1 1 17 . 12 1 1 A 10 10 VAL HA H 10 4.307 4.624 -0.317 1 1 18 . 12 1 1 A 10 10 VAL CB C 10 34.845 35.037 -0.192 1 1 24 . 12 1 1 A 11 11 ARG N N 11 125.757 127.568 -1.811 1 1 25 . 12 1 1 A 11 11 ARG H H 11 8.546 8.841 -0.295 1 1 26 . 12 1 1 A 11 11 ARG CA C 11 55.966 56.325 -0.359 1 1 27 . 12 1 1 A 11 11 ARG HA H 11 4.463 4.345 0.118 1 1 28 . 12 1 1 A 11 11 ARG CB C 11 30.834 30.615 0.219 1 1 37 . 12 1 1 A 12 12 VAL CA C 12 62.370 64.473 -2.103 1 1 38 . 12 1 1 A 12 12 VAL HA H 12 4.205 3.934 0.271 1 1 39 . 12 1 1 A 12 12 VAL CB C 12 32.571 32.371 0.200 1 1 48 . 12 1 1 A 13 13 GLY N N 13 113.294 105.363 7.931 1 1 49 . 12 1 1 A 13 13 GLY H H 13 8.608 7.260 1.348 1 1 50 . 12 1 1 A 13 13 GLY CA C 13 44.973 45.736 -0.763 1 1 51 . 12 1 1 A 13 13 GLY HA3 H 13 4.024 4.026 -0.002 1 1 52 . 12 1 1 A 13 13 GLY HA2 H 13 3.891 4.026 -0.135 1 1 53 . 12 1 1 A 14 14 GLU N N 14 120.644 120.296 0.348 1 1 54 . 12 1 1 A 14 14 GLU H H 14 8.139 8.468 -0.329 1 1 55 . 12 1 1 A 14 14 GLU CA C 14 54.101 55.228 -1.127 1 1 56 . 12 1 1 A 14 14 GLU HA H 14 4.626 4.535 0.091 1 1 57 . 12 1 1 A 14 14 GLU CB C 14 30.026 28.893 1.133 1 1 63 . 12 1 1 A 15 15 PRO CA C 15 63.731 63.060 0.671 1 1 64 . 12 1 1 A 15 15 PRO HA H 15 4.319 4.737 -0.418 1 1 65 . 12 1 1 A 15 15 PRO CB C 15 31.974 31.986 -0.012 1 1 71 . 12 1 1 A 15 15 PRO C C 15 177.450 177.040 0.410 1 1 75 . 12 1 1 A 16 16 GLY N N 16 109.768 108.422 1.346 1 1 76 . 12 1 1 A 16 16 GLY H H 16 8.577 8.586 -0.009 1 1 77 . 12 1 1 A 16 16 GLY CA C 16 45.424 43.834 1.590 1 1 78 . 12 1 1 A 16 16 GLY HA3 H 16 3.804 4.155 -0.351 1 1 79 . 12 1 1 A 16 16 GLY C C 16 174.160 174.138 0.022 1 1 80 . 12 1 1 A 16 16 GLY HA2 H 16 4.086 4.152 -0.066 1 1 81 . 12 1 1 A 17 17 GLN N N 17 119.726 116.654 3.072 1 1 82 . 12 1 1 A 17 17 GLN H H 17 7.868 8.787 -0.919 1 1 83 . 12 1 1 A 17 17 GLN CA C 17 55.403 56.752 -1.349 1 1 84 . 12 1 1 A 17 17 GLN HA H 17 4.389 3.833 0.556 1 1 85 . 12 1 1 A 17 17 GLN CB C 17 29.894 26.982 2.912 1 1 92 . 12 1 1 A 17 17 GLN C C 17 175.290 175.348 -0.058 1 1 95 . 12 1 1 A 18 18 ALA N N 18 125.593 120.313 5.280 1 1 96 . 12 1 1 A 18 18 ALA H H 18 8.469 8.141 0.328 1 1 97 . 12 1 1 A 18 18 ALA CA C 18 52.389 51.348 1.041 1 1 98 . 12 1 1 A 18 18 ALA HA H 18 4.448 4.788 -0.340 1 1 99 . 12 1 1 A 18 18 ALA CB C 18 19.959 19.262 0.697 1 1 103 . 12 1 1 A 18 18 ALA C C 18 177.464 177.161 0.303 1 1 104 . 12 1 1 A 19 19 GLY N N 19 109.162 106.558 2.604 1 1 105 . 12 1 1 A 19 19 GLY H H 19 8.294 7.770 0.524 1 1 106 . 12 1 1 A 19 19 GLY CA C 19 45.270 45.847 -0.577 1 1 107 . 12 1 1 A 19 19 GLY HA3 H 19 3.853 4.300 -0.447 1 1 108 . 12 1 1 A 19 19 GLY C C 19 173.012 172.696 0.316 1 1 109 . 12 1 1 A 19 19 GLY HA2 H 19 4.207 4.199 0.008 1 1 110 . 12 1 1 A 20 20 ASN N N 20 118.861 120.463 -1.602 1 1 111 . 12 1 1 A 20 20 ASN H H 20 8.479 8.313 0.166 1 1 112 . 12 1 1 A 20 20 ASN CA C 20 50.128 49.480 0.648 1 1 113 . 12 1 1 A 20 20 ASN HA H 20 5.236 5.324 -0.088 1 1 114 . 12 1 1 A 20 20 ASN CB C 20 39.697 41.421 -1.724 1 1 119 . 12 1 1 A 20 20 ASN C C 20 174.482 175.029 -0.547 1 1 121 . 12 1 1 A 21 21 PRO CA C 21 64.588 65.754 -1.166 1 1 122 . 12 1 1 A 21 21 PRO HA H 21 4.312 4.496 -0.184 1 1 123 . 12 1 1 A 21 21 PRO CB C 21 31.950 31.948 0.002 1 1 129 . 12 1 1 A 21 21 PRO C C 21 177.141 178.638 -1.497 1 1 133 . 12 1 1 A 22 22 ALA N N 22 118.898 118.679 0.219 1 1 134 . 12 1 1 A 22 22 ALA H H 22 7.918 8.502 -0.584 1 1 135 . 12 1 1 A 22 22 ALA CA C 22 53.499 55.467 -1.968 1 1 136 . 12 1 1 A 22 22 ALA HA H 22 4.386 4.066 0.320 1 1 137 . 12 1 1 A 22 22 ALA CB C 22 18.288 18.598 -0.310 1 1 141 . 12 1 1 A 22 22 ALA C C 22 178.115 180.325 -2.210 1 1 142 . 12 1 1 A 23 23 LEU N N 23 116.219 117.942 -1.723 1 1 143 . 12 1 1 A 23 23 LEU H H 23 7.696 8.132 -0.436 1 1 144 . 12 1 1 A 23 23 LEU CA C 23 53.851 58.006 -4.155 1 1 145 . 12 1 1 A 23 23 LEU HA H 23 4.475 3.941 0.534 1 1 146 . 12 1 1 A 23 23 LEU CB C 23 41.958 41.634 0.324 1 1 158 . 12 1 1 A 23 23 LEU C C 23 176.653 177.945 -1.292 1 1 160 . 12 1 1 A 24 24 VAL N N 24 122.233 119.582 2.651 1 1 161 . 12 1 1 A 24 24 VAL H H 24 7.207 7.643 -0.436 1 1 162 . 12 1 1 A 24 24 VAL CA C 24 62.768 63.119 -0.351 1 1 163 . 12 1 1 A 24 24 VAL HA H 24 4.081 3.859 0.222 1 1 164 . 12 1 1 A 24 24 VAL CB C 24 32.408 31.238 1.170 1 1 174 . 12 1 1 A 24 24 VAL C C 24 174.702 175.468 -0.766 1 1 175 . 12 1 1 A 25 25 SER N N 25 120.181 122.742 -2.561 1 1 176 . 12 1 1 A 25 25 SER H H 25 8.109 8.614 -0.505 1 1 177 . 12 1 1 A 25 25 SER CA C 25 56.489 56.340 0.149 1 1 178 . 12 1 1 A 25 25 SER HA H 25 5.159 5.406 -0.247 1 1 179 . 12 1 1 A 25 25 SER CB C 25 66.443 66.740 -0.297 1 1 181 . 12 1 1 A 25 25 SER C C 25 172.102 173.149 -1.047 1 1 183 . 12 1 1 A 26 26 ALA N N 26 124.850 124.918 -0.068 1 1 184 . 12 1 1 A 26 26 ALA H H 26 8.839 8.941 -0.102 1 1 185 . 12 1 1 A 26 26 ALA CA C 26 50.395 51.054 -0.659 1 1 186 . 12 1 1 A 26 26 ALA HA H 26 5.796 5.313 0.483 1 1 187 . 12 1 1 A 26 26 ALA CB C 26 22.868 22.126 0.742 1 1 191 . 12 1 1 A 26 26 ALA C C 26 175.694 175.609 0.085 1 1 192 . 12 1 1 A 27 27 TYR N N 27 117.541 117.901 -0.360 1 1 193 . 12 1 1 A 27 27 TYR H H 27 8.831 8.849 -0.018 1 1 194 . 12 1 1 A 27 27 TYR CA C 27 56.610 55.836 0.774 1 1 195 . 12 1 1 A 27 27 TYR HA H 27 4.851 5.239 -0.388 1 1 196 . 12 1 1 A 27 27 TYR CB C 27 39.737 41.885 -2.148 1 1 206 . 12 1 1 A 27 27 TYR C C 27 173.299 173.951 -0.652 1 1 208 . 12 1 1 A 28 28 GLY N N 28 108.355 106.556 1.799 1 1 209 . 12 1 1 A 28 28 GLY H H 28 8.788 8.448 0.340 1 1 210 . 12 1 1 A 28 28 GLY CA C 28 44.056 45.382 -1.326 1 1 211 . 12 1 1 A 28 28 GLY HA3 H 28 4.304 4.243 0.061 1 1 212 . 12 1 1 A 28 28 GLY C C 28 176.208 173.748 2.460 1 1 213 . 12 1 1 A 28 28 GLY HA2 H 28 5.047 4.237 0.810 1 1 214 . 12 1 1 A 29 29 THR N N 29 115.659 113.597 2.062 1 1 215 . 12 1 1 A 29 29 THR H H 29 9.027 7.999 1.028 1 1 216 . 12 1 1 A 29 29 THR CA C 29 65.419 63.274 2.145 1 1 217 . 12 1 1 A 29 29 THR HA H 29 4.171 4.382 -0.211 1 1 218 . 12 1 1 A 29 29 THR CB C 29 68.659 69.688 -1.029 1 1 224 . 12 1 1 A 29 29 THR C C 29 178.141 176.919 1.222 1 1 225 . 12 1 1 A 30 30 GLY N N 30 107.400 110.692 -3.292 1 1 226 . 12 1 1 A 30 30 GLY H H 30 8.747 8.445 0.302 1 1 227 . 12 1 1 A 30 30 GLY CA C 30 46.719 46.687 0.032 1 1 228 . 12 1 1 A 30 30 GLY HA3 H 30 3.556 4.129 -0.573 1 1 229 . 12 1 1 A 30 30 GLY C C 30 173.896 174.873 -0.977 1 1 230 . 12 1 1 A 30 30 GLY HA2 H 30 4.483 3.969 0.514 1 1 231 . 12 1 1 A 31 31 LEU N N 31 118.075 120.459 -2.384 1 1 232 . 12 1 1 A 31 31 LEU H H 31 7.389 7.801 -0.412 1 1 233 . 12 1 1 A 31 31 LEU CA C 31 55.799 55.755 0.044 1 1 234 . 12 1 1 A 31 31 LEU HA H 31 3.778 4.294 -0.516 1 1 235 . 12 1 1 A 31 31 LEU CB C 31 41.564 42.135 -0.571 1 1 247 . 12 1 1 A 31 31 LEU C C 31 176.045 178.200 -2.155 1 1 249 . 12 1 1 A 32 32 GLU N N 32 112.872 117.278 -4.406 1 1 250 . 12 1 1 A 32 32 GLU H H 32 7.509 8.063 -0.554 1 1 251 . 12 1 1 A 32 32 GLU CA C 32 56.330 58.462 -2.132 1 1 252 . 12 1 1 A 32 32 GLU HA H 32 4.717 4.126 0.591 1 1 253 . 12 1 1 A 32 32 GLU CB C 32 31.924 30.384 1.540 1 1 257 . 12 1 1 A 32 32 GLU C C 32 177.958 176.689 1.269 1 1 260 . 12 1 1 A 33 33 GLY N N 33 107.880 104.673 3.207 1 1 261 . 12 1 1 A 33 33 GLY H H 33 7.822 7.341 0.481 1 1 262 . 12 1 1 A 33 33 GLY CA C 33 45.568 45.664 -0.096 1 1 263 . 12 1 1 A 33 33 GLY HA3 H 33 4.125 4.121 0.004 1 1 264 . 12 1 1 A 33 33 GLY C C 33 172.046 171.865 0.181 1 1 265 . 12 1 1 A 33 33 GLY HA2 H 33 4.661 4.110 0.551 1 1 266 . 12 1 1 A 34 34 GLY N N 34 105.841 108.943 -3.102 1 1 267 . 12 1 1 A 34 34 GLY H H 34 7.740 8.393 -0.653 1 1 268 . 12 1 1 A 34 34 GLY CA C 34 45.215 45.117 0.098 1 1 269 . 12 1 1 A 34 34 GLY HA3 H 34 3.988 4.181 -0.193 1 1 270 . 12 1 1 A 34 34 GLY C C 34 171.280 172.907 -1.627 1 1 271 . 12 1 1 A 34 34 GLY HA2 H 34 4.030 4.135 -0.105 1 1 272 . 12 1 1 A 35 35 THR N N 35 119.173 116.275 2.898 1 1 273 . 12 1 1 A 35 35 THR H H 35 9.363 8.687 0.676 1 1 274 . 12 1 1 A 35 35 THR CA C 35 60.844 60.728 0.116 1 1 275 . 12 1 1 A 35 35 THR HA H 35 5.177 4.987 0.190 1 1 276 . 12 1 1 A 35 35 THR CB C 35 72.095 70.129 1.966 1 1 282 . 12 1 1 A 35 35 THR C C 35 173.460 173.612 -0.152 1 1 283 . 12 1 1 A 36 36 THR N N 36 116.864 122.163 -5.299 1 1 284 . 12 1 1 A 36 36 THR H H 36 8.425 8.532 -0.107 1 1 285 . 12 1 1 A 36 36 THR CA C 36 62.841 64.667 -1.826 1 1 286 . 12 1 1 A 36 36 THR HA H 36 3.701 4.280 -0.579 1 1 287 . 12 1 1 A 36 36 THR CB C 36 68.447 68.269 0.178 1 1 293 . 12 1 1 A 36 36 THR C C 36 175.396 175.668 -0.272 1 1 294 . 12 1 1 A 37 37 GLY N N 37 107.461 114.435 -6.974 1 1 295 . 12 1 1 A 37 37 GLY H H 37 8.548 8.352 0.196 1 1 296 . 12 1 1 A 37 37 GLY CA C 37 45.434 45.029 0.405 1 1 297 . 12 1 1 A 37 37 GLY HA3 H 37 3.386 3.986 -0.600 1 1 298 . 12 1 1 A 37 37 GLY C C 37 172.598 174.730 -2.132 1 1 299 . 12 1 1 A 37 37 GLY HA2 H 37 4.024 3.984 0.040 1 1 300 . 12 1 1 A 38 38 ILE N N 38 122.313 121.467 0.846 1 1 301 . 12 1 1 A 38 38 ILE H H 38 7.871 7.934 -0.063 1 1 302 . 12 1 1 A 38 38 ILE CA C 38 58.566 59.897 -1.331 1 1 303 . 12 1 1 A 38 38 ILE HA H 38 4.274 4.543 -0.269 1 1 304 . 12 1 1 A 38 38 ILE CB C 38 38.476 39.794 -1.318 1 1 316 . 12 1 1 A 38 38 ILE C C 38 175.081 174.913 0.168 1 1 318 . 12 1 1 A 39 39 GLN N N 39 127.942 124.250 3.692 1 1 319 . 12 1 1 A 39 39 GLN H H 39 8.487 8.679 -0.192 1 1 320 . 12 1 1 A 39 39 GLN CA C 39 57.394 53.905 3.489 1 1 321 . 12 1 1 A 39 39 GLN HA H 39 4.312 5.142 -0.830 1 1 322 . 12 1 1 A 39 39 GLN CB C 39 31.057 32.394 -1.337 1 1 329 . 12 1 1 A 39 39 GLN C C 39 176.011 174.400 1.611 1 1 332 . 12 1 1 A 40 40 SER N N 40 125.784 123.179 2.605 1 1 333 . 12 1 1 A 40 40 SER H H 40 9.167 8.598 0.569 1 1 334 . 12 1 1 A 40 40 SER CA C 40 58.188 56.899 1.289 1 1 335 . 12 1 1 A 40 40 SER HA H 40 4.633 5.371 -0.738 1 1 336 . 12 1 1 A 40 40 SER CB C 40 66.149 66.442 -0.293 1 1 338 . 12 1 1 A 40 40 SER C C 40 172.625 172.915 -0.290 1 1 340 . 12 1 1 A 41 41 GLU N N 41 117.679 119.650 -1.971 1 1 341 . 12 1 1 A 41 41 GLU H H 41 8.773 9.088 -0.315 1 1 342 . 12 1 1 A 41 41 GLU CA C 41 54.060 54.466 -0.406 1 1 343 . 12 1 1 A 41 41 GLU HA H 41 5.629 5.124 0.505 1 1 344 . 12 1 1 A 41 41 GLU CB C 41 34.053 33.333 0.720 1 1 348 . 12 1 1 A 41 41 GLU C C 41 175.607 174.834 0.773 1 1 351 . 12 1 1 A 42 42 PHE N N 42 116.557 117.072 -0.515 1 1 352 . 12 1 1 A 42 42 PHE H H 42 8.753 7.883 0.870 1 1 353 . 12 1 1 A 42 42 PHE CA C 42 56.847 55.131 1.716 1 1 354 . 12 1 1 A 42 42 PHE HA H 42 4.743 5.462 -0.719 1 1 355 . 12 1 1 A 42 42 PHE CB C 42 40.908 42.446 -1.538 1 1 367 . 12 1 1 A 42 42 PHE C C 42 170.204 172.404 -2.200 1 1 369 . 12 1 1 A 43 43 PHE N N 43 118.643 118.061 0.582 1 1 370 . 12 1 1 A 43 43 PHE H H 43 9.234 8.359 0.875 1 1 371 . 12 1 1 A 43 43 PHE CA C 43 57.292 56.725 0.567 1 1 372 . 12 1 1 A 43 43 PHE HA H 43 5.041 5.178 -0.137 1 1 373 . 12 1 1 A 43 43 PHE CB C 43 42.583 41.660 0.923 1 1 385 . 12 1 1 A 43 43 PHE C C 43 174.177 174.988 -0.811 1 1 387 . 12 1 1 A 44 44 ILE N N 44 120.124 120.931 -0.807 1 1 388 . 12 1 1 A 44 44 ILE H H 44 8.876 9.266 -0.390 1 1 389 . 12 1 1 A 44 44 ILE CA C 44 59.698 60.394 -0.696 1 1 390 . 12 1 1 A 44 44 ILE HA H 44 4.717 4.795 -0.078 1 1 391 . 12 1 1 A 44 44 ILE CB C 44 40.591 39.849 0.742 1 1 403 . 12 1 1 A 44 44 ILE C C 44 174.483 175.034 -0.551 1 1 405 . 12 1 1 A 45 45 ASN N N 45 127.058 126.133 0.925 1 1 406 . 12 1 1 A 45 45 ASN H H 45 9.553 9.154 0.399 1 1 407 . 12 1 1 A 45 45 ASN CA C 45 52.099 52.373 -0.274 1 1 408 . 12 1 1 A 45 45 ASN HA H 45 5.380 4.844 0.536 1 1 409 . 12 1 1 A 45 45 ASN CB C 45 39.596 37.012 2.584 1 1 414 . 12 1 1 A 45 45 ASN C C 45 176.821 174.892 1.929 1 1 416 . 12 1 1 A 46 46 THR H H 46 9.223 9.117 0.106 1 1 417 . 12 1 1 A 46 46 THR CA C 46 61.534 60.609 0.925 1 1 418 . 12 1 1 A 46 46 THR HA H 46 4.368 4.508 -0.140 1 1 419 . 12 1 1 A 46 46 THR CB C 46 68.352 68.789 -0.437 1 1 425 . 12 1 1 A 46 46 THR C C 46 176.816 174.115 2.701 1 1 426 . 12 1 1 A 47 47 THR N N 47 116.732 120.957 -4.225 1 1 427 . 12 1 1 A 47 47 THR H H 47 8.368 8.214 0.154 1 1 428 . 12 1 1 A 47 47 THR CA C 47 65.916 62.954 2.962 1 1 429 . 12 1 1 A 47 47 THR HA H 47 4.032 4.702 -0.670 1 1 430 . 12 1 1 A 47 47 THR CB C 47 69.870 71.601 -1.731 1 1 436 . 12 1 1 A 47 47 THR C C 47 176.865 176.115 0.750 1 1 437 . 12 1 1 A 48 48 ARG N N 48 119.205 121.328 -2.123 1 1 438 . 12 1 1 A 48 48 ARG H H 48 8.785 8.149 0.636 1 1 439 . 12 1 1 A 48 48 ARG CA C 48 56.273 58.488 -2.215 1 1 440 . 12 1 1 A 48 48 ARG HA H 48 4.488 4.203 0.285 1 1 441 . 12 1 1 A 48 48 ARG CB C 48 30.862 30.161 0.701 1 1 447 . 12 1 1 A 48 48 ARG C C 48 176.314 177.999 -1.685 1 1 451 . 12 1 1 A 49 49 ALA N N 49 120.807 120.899 -0.092 1 1 452 . 12 1 1 A 49 49 ALA H H 49 7.440 7.787 -0.347 1 1 453 . 12 1 1 A 49 49 ALA CA C 49 53.138 53.281 -0.143 1 1 454 . 12 1 1 A 49 49 ALA HA H 49 4.341 4.247 0.094 1 1 455 . 12 1 1 A 49 49 ALA CB C 49 22.427 19.822 2.605 1 1 459 . 12 1 1 A 49 49 ALA C C 49 177.914 177.495 0.419 1 1 460 . 12 1 1 A 50 50 GLY N N 50 105.941 102.032 3.909 1 1 461 . 12 1 1 A 50 50 GLY H H 50 7.924 7.324 0.600 1 1 462 . 12 1 1 A 50 50 GLY CA C 50 44.229 45.254 -1.025 1 1 463 . 12 1 1 A 50 50 GLY HA3 H 50 4.325 4.209 0.116 1 1 464 . 12 1 1 A 50 50 GLY C C 50 171.089 171.999 -0.910 1 1 465 . 12 1 1 A 50 50 GLY HA2 H 50 3.948 4.146 -0.198 1 1 466 . 12 1 1 A 51 51 PRO CA C 51 63.140 63.346 -0.206 1 1 467 . 12 1 1 A 51 51 PRO HA H 51 4.588 4.504 0.084 1 1 468 . 12 1 1 A 51 51 PRO CB C 51 33.004 33.447 -0.443 1 1 477 . 12 1 1 A 52 52 GLY CA C 52 45.195 44.520 0.675 1 1 478 . 12 1 1 A 52 52 GLY HA3 H 52 3.275 4.214 -0.939 1 1 479 . 12 1 1 A 52 52 GLY HA2 H 52 3.852 4.183 -0.331 1 1 480 . 12 1 1 A 53 53 THR N N 53 114.003 116.128 -2.125 1 1 481 . 12 1 1 A 53 53 THR H H 53 8.049 8.448 -0.399 1 1 482 . 12 1 1 A 53 53 THR CA C 53 62.352 62.308 0.044 1 1 483 . 12 1 1 A 53 53 THR HA H 53 4.436 4.784 -0.348 1 1 484 . 12 1 1 A 53 53 THR CB C 53 69.631 70.389 -0.758 1 1 490 . 12 1 1 A 54 54 LEU CA C 54 53.891 52.923 0.968 1 1 491 . 12 1 1 A 54 54 LEU HA H 54 5.077 5.284 -0.207 1 1 492 . 12 1 1 A 54 54 LEU CB C 54 44.515 46.312 -1.797 1 1 503 . 12 1 1 A 55 55 SER N N 55 120.726 116.394 4.332 1 1 504 . 12 1 1 A 55 55 SER H H 55 8.783 8.293 0.490 1 1 505 . 12 1 1 A 55 55 SER CA C 55 56.249 57.994 -1.745 1 1 506 . 12 1 1 A 55 55 SER HA H 55 5.092 5.028 0.064 1 1 507 . 12 1 1 A 55 55 SER CB C 55 65.032 64.278 0.754 1 1 509 . 12 1 1 A 55 55 SER C C 55 173.165 173.863 -0.698 1 1 511 . 12 1 1 A 56 56 VAL N N 56 126.234 127.599 -1.365 1 1 512 . 12 1 1 A 56 56 VAL H H 56 8.336 9.122 -0.786 1 1 513 . 12 1 1 A 56 56 VAL CA C 56 60.515 60.889 -0.374 1 1 514 . 12 1 1 A 56 56 VAL HA H 56 5.134 5.183 -0.049 1 1 515 . 12 1 1 A 56 56 VAL CB C 56 34.463 33.403 1.060 1 1 520 . 12 1 1 A 56 56 VAL C C 56 174.718 175.020 -0.302 1 1 521 . 12 1 1 A 57 57 THR N N 57 120.539 123.022 -2.483 1 1 522 . 12 1 1 A 57 57 THR H H 57 8.828 9.068 -0.240 1 1 523 . 12 1 1 A 57 57 THR CA C 57 60.580 61.796 -1.216 1 1 524 . 12 1 1 A 57 57 THR HA H 57 5.132 4.937 0.195 1 1 525 . 12 1 1 A 57 57 THR CB C 57 72.187 71.676 0.511 1 1 531 . 12 1 1 A 57 57 THR C C 57 172.970 172.885 0.085 1 1 532 . 12 1 1 A 58 58 ILE N N 58 123.949 128.790 -4.841 1 1 533 . 12 1 1 A 58 58 ILE H H 58 9.249 9.120 0.129 1 1 534 . 12 1 1 A 58 58 ILE CA C 58 61.297 60.097 1.200 1 1 535 . 12 1 1 A 58 58 ILE HA H 58 5.001 5.133 -0.132 1 1 536 . 12 1 1 A 58 58 ILE CB C 58 39.755 39.598 0.157 1 1 548 . 12 1 1 A 58 58 ILE C C 58 174.848 175.261 -0.413 1 1 550 . 12 1 1 A 59 59 GLU N N 59 129.027 123.317 5.710 1 1 551 . 12 1 1 A 59 59 GLU H H 59 8.966 9.038 -0.072 1 1 552 . 12 1 1 A 59 59 GLU CA C 59 53.911 54.780 -0.869 1 1 553 . 12 1 1 A 59 59 GLU HA H 59 5.427 5.157 0.270 1 1 554 . 12 1 1 A 59 59 GLU CB C 59 33.843 33.423 0.420 1 1 558 . 12 1 1 A 59 59 GLU C C 59 175.342 175.944 -0.602 1 1 561 . 12 1 1 A 60 60 GLY N N 60 110.765 109.128 1.637 1 1 562 . 12 1 1 A 60 60 GLY H H 60 8.597 8.192 0.405 1 1 563 . 12 1 1 A 60 60 GLY CA C 60 45.997 44.794 1.203 1 1 564 . 12 1 1 A 60 60 GLY HA3 H 60 3.908 3.839 0.069 1 1 565 . 12 1 1 A 60 60 GLY C C 60 171.205 173.835 -2.630 1 1 566 . 12 1 1 A 60 60 GLY HA2 H 60 3.685 3.318 0.367 1 1 567 . 12 1 1 A 61 61 PRO CA C 61 64.057 64.398 -0.341 1 1 568 . 12 1 1 A 61 61 PRO HA H 61 4.415 4.330 0.085 1 1 569 . 12 1 1 A 61 61 PRO CB C 61 32.143 32.073 0.070 1 1 575 . 12 1 1 A 61 61 PRO C C 61 175.925 176.413 -0.488 1 1 579 . 12 1 1 A 62 62 SER N N 62 108.413 112.559 -4.146 1 1 580 . 12 1 1 A 62 62 SER H H 62 7.144 7.714 -0.570 1 1 581 . 12 1 1 A 62 62 SER CA C 62 57.037 57.154 -0.117 1 1 582 . 12 1 1 A 62 62 SER HA H 62 4.596 4.820 -0.224 1 1 583 . 12 1 1 A 62 62 SER CB C 62 66.522 64.722 1.800 1 1 585 . 12 1 1 A 62 62 SER C C 62 172.446 173.480 -1.034 1 1 587 . 12 1 1 A 63 63 LYS N N 63 122.539 129.061 -6.522 1 1 588 . 12 1 1 A 63 63 LYS H H 63 8.620 8.627 -0.007 1 1 589 . 12 1 1 A 63 63 LYS CA C 63 56.407 56.834 -0.427 1 1 590 . 12 1 1 A 63 63 LYS HA H 63 4.267 4.433 -0.166 1 1 591 . 12 1 1 A 63 63 LYS CB C 63 32.576 32.708 -0.132 1 1 596 . 12 1 1 A 63 63 LYS C C 63 176.658 176.199 0.459 1 1 601 . 12 1 1 A 64 64 VAL N N 64 120.278 121.303 -1.025 1 1 602 . 12 1 1 A 64 64 VAL H H 64 8.554 8.960 -0.406 1 1 603 . 12 1 1 A 64 64 VAL CA C 64 60.425 59.839 0.586 1 1 604 . 12 1 1 A 64 64 VAL HA H 64 4.460 4.982 -0.522 1 1 605 . 12 1 1 A 64 64 VAL CB C 64 32.938 34.758 -1.820 1 1 615 . 12 1 1 A 64 64 VAL C C 64 176.629 174.592 2.037 1 1 616 . 12 1 1 A 65 65 LYS N N 65 121.529 123.373 -1.844 1 1 617 . 12 1 1 A 65 65 LYS H H 65 8.139 8.570 -0.431 1 1 618 . 12 1 1 A 65 65 LYS CA C 65 56.181 55.802 0.379 1 1 619 . 12 1 1 A 65 65 LYS HA H 65 4.474 4.617 -0.143 1 1 620 . 12 1 1 A 65 65 LYS CB C 65 32.960 32.343 0.617 1 1 627 . 12 1 1 A 65 65 LYS C C 65 176.309 175.594 0.715 1 1 632 . 12 1 1 A 66 66 MET N N 66 125.382 124.696 0.686 1 1 633 . 12 1 1 A 66 66 MET H H 66 8.811 7.957 0.854 1 1 634 . 12 1 1 A 66 66 MET CA C 66 55.055 54.269 0.786 1 1 635 . 12 1 1 A 66 66 MET HA H 66 5.393 4.863 0.530 1 1 636 . 12 1 1 A 66 66 MET CB C 66 37.398 32.457 4.941 1 1 644 . 12 1 1 A 66 66 MET C C 66 174.026 174.949 -0.923 1 1 647 . 12 1 1 A 67 67 ASP N N 67 122.714 124.171 -1.457 1 1 648 . 12 1 1 A 67 67 ASP H H 67 8.995 8.828 0.167 1 1 649 . 12 1 1 A 67 67 ASP CA C 67 53.231 52.591 0.640 1 1 650 . 12 1 1 A 67 67 ASP HA H 67 4.854 5.387 -0.533 1 1 651 . 12 1 1 A 67 67 ASP CB C 67 44.980 43.466 1.514 1 1 654 . 12 1 1 A 68 68 CYS H H 68 8.412 8.995 -0.583 1 1 655 . 12 1 1 A 68 68 CYS CA C 68 56.390 57.180 -0.790 1 1 656 . 12 1 1 A 68 68 CYS HA H 68 5.288 5.703 -0.415 1 1 657 . 12 1 1 A 68 68 CYS CB C 68 28.188 30.628 -2.440 1 1 660 . 12 1 1 A 69 69 GLN N N 69 125.044 120.623 4.421 1 1 661 . 12 1 1 A 69 69 GLN H H 69 9.116 8.515 0.601 1 1 662 . 12 1 1 A 69 69 GLN CA C 69 56.403 53.561 2.842 1 1 663 . 12 1 1 A 69 69 GLN HA H 69 5.290 5.078 0.212 1 1 664 . 12 1 1 A 69 69 GLN CB C 69 32.962 30.634 2.328 1 1 671 . 12 1 1 A 70 70 GLU N N 70 125.781 119.541 6.240 1 1 672 . 12 1 1 A 70 70 GLU H H 70 8.979 8.348 0.631 1 1 673 . 12 1 1 A 70 70 GLU CA C 70 56.418 56.057 0.361 1 1 674 . 12 1 1 A 70 70 GLU HA H 70 4.029 4.695 -0.666 1 1 675 . 12 1 1 A 70 70 GLU CB C 70 30.585 30.356 0.229 1 1 681 . 12 1 1 A 71 71 THR N N 71 118.158 112.952 5.206 1 1 682 . 12 1 1 A 71 71 THR H H 71 8.455 8.328 0.127 1 1 683 . 12 1 1 A 71 71 THR CA C 71 59.209 58.402 0.807 1 1 684 . 12 1 1 A 71 71 THR HA H 71 4.902 4.907 -0.005 1 1 685 . 12 1 1 A 71 71 THR CB C 71 68.926 70.814 -1.888 1 1 691 . 12 1 1 A 72 72 PRO CA C 72 65.290 64.218 1.072 1 1 692 . 12 1 1 A 72 72 PRO HA H 72 4.296 4.463 -0.167 1 1 693 . 12 1 1 A 72 72 PRO CB C 72 31.848 31.549 0.299 1 1 699 . 12 1 1 A 72 72 PRO C C 72 177.476 176.947 0.529 1 1 703 . 12 1 1 A 73 73 GLU N N 73 112.293 116.656 -4.363 1 1 704 . 12 1 1 A 73 73 GLU H H 73 7.562 8.574 -1.012 1 1 705 . 12 1 1 A 73 73 GLU CA C 73 55.577 56.519 -0.942 1 1 706 . 12 1 1 A 73 73 GLU HA H 73 4.370 4.450 -0.080 1 1 707 . 12 1 1 A 73 73 GLU CB C 73 30.787 32.022 -1.235 1 1 711 . 12 1 1 A 73 73 GLU C C 73 174.438 176.463 -2.025 1 1 714 . 12 1 1 A 74 74 GLY N N 74 109.223 106.118 3.105 1 1 715 . 12 1 1 A 74 74 GLY H H 74 7.324 7.192 0.132 1 1 716 . 12 1 1 A 74 74 GLY CA C 74 47.146 45.952 1.194 1 1 717 . 12 1 1 A 74 74 GLY HA3 H 74 3.551 4.160 -0.609 1 1 718 . 12 1 1 A 74 74 GLY C C 74 172.589 171.283 1.306 1 1 719 . 12 1 1 A 74 74 GLY HA2 H 74 4.949 3.959 0.990 1 1 720 . 12 1 1 A 75 75 TYR N N 75 123.117 120.512 2.605 1 1 721 . 12 1 1 A 75 75 TYR H H 75 8.883 8.513 0.370 1 1 722 . 12 1 1 A 75 75 TYR CA C 75 57.566 56.621 0.945 1 1 723 . 12 1 1 A 75 75 TYR HA H 75 5.171 5.259 -0.088 1 1 724 . 12 1 1 A 75 75 TYR CB C 75 44.111 41.799 2.312 1 1 734 . 12 1 1 A 75 75 TYR C C 75 173.925 174.260 -0.335 1 1 736 . 12 1 1 A 76 76 LYS N N 76 124.633 125.742 -1.109 1 1 737 . 12 1 1 A 76 76 LYS H H 76 9.390 8.844 0.546 1 1 738 . 12 1 1 A 76 76 LYS CA C 76 55.055 56.132 -1.077 1 1 739 . 12 1 1 A 76 76 LYS HA H 76 4.594 4.482 0.112 1 1 740 . 12 1 1 A 76 76 LYS CB C 76 35.124 33.128 1.996 1 1 748 . 12 1 1 A 76 76 LYS C C 76 174.069 175.096 -1.027 1 1 753 . 12 1 1 A 77 77 VAL N N 77 126.947 125.696 1.251 1 1 754 . 12 1 1 A 77 77 VAL H H 77 8.607 7.871 0.736 1 1 755 . 12 1 1 A 77 77 VAL CA C 77 60.894 60.863 0.031 1 1 756 . 12 1 1 A 77 77 VAL HA H 77 4.280 4.538 -0.258 1 1 757 . 12 1 1 A 77 77 VAL CB C 77 32.115 33.637 -1.522 1 1 767 . 12 1 1 A 77 77 VAL C C 77 173.586 174.689 -1.103 1 1 768 . 12 1 1 A 78 78 MET N N 78 123.986 124.750 -0.764 1 1 769 . 12 1 1 A 78 78 MET H H 78 8.410 8.637 -0.227 1 1 770 . 12 1 1 A 78 78 MET CA C 78 53.236 53.794 -0.558 1 1 771 . 12 1 1 A 78 78 MET HA H 78 5.290 5.305 -0.015 1 1 772 . 12 1 1 A 78 78 MET CB C 78 36.873 35.306 1.567 1 1 780 . 12 1 1 A 78 78 MET C C 78 174.665 174.706 -0.041 1 1 783 . 12 1 1 A 79 79 TYR N N 79 117.488 119.648 -2.160 1 1 784 . 12 1 1 A 79 79 TYR H H 79 8.739 8.301 0.438 1 1 785 . 12 1 1 A 79 79 TYR CA C 79 56.011 56.262 -0.251 1 1 786 . 12 1 1 A 79 79 TYR HA H 79 5.654 5.420 0.234 1 1 787 . 12 1 1 A 79 79 TYR CB C 79 41.549 41.817 -0.268 1 1 797 . 12 1 1 A 79 79 TYR C C 79 172.927 173.301 -0.374 1 1 799 . 12 1 1 A 80 80 THR H H 80 8.383 8.764 -0.381 1 1 800 . 12 1 1 A 80 80 THR CA C 80 58.611 58.970 -0.359 1 1 801 . 12 1 1 A 80 80 THR HA H 80 4.978 4.672 0.306 1 1 802 . 12 1 1 A 80 80 THR CB C 80 70.258 70.814 -0.556 1 1 808 . 12 1 1 A 81 81 PRO CA C 81 61.531 62.935 -1.404 1 1 809 . 12 1 1 A 81 81 PRO HA H 81 4.532 4.783 -0.251 1 1 810 . 12 1 1 A 81 81 PRO CB C 81 32.774 31.961 0.813 1 1 819 . 12 1 1 A 82 82 MET N N 82 117.590 119.120 -1.530 1 1 820 . 12 1 1 A 82 82 MET H H 82 8.299 8.932 -0.633 1 1 821 . 12 1 1 A 82 82 MET CA C 82 53.882 57.268 -3.386 1 1 822 . 12 1 1 A 82 82 MET HA H 82 4.851 4.562 0.289 1 1 823 . 12 1 1 A 82 82 MET CB C 82 33.337 34.556 -1.219 1 1 831 . 12 1 1 A 82 82 MET C C 82 174.339 176.162 -1.823 1 1 834 . 12 1 1 A 83 83 ALA N N 83 119.196 120.337 -1.141 1 1 835 . 12 1 1 A 83 83 ALA H H 83 7.076 7.875 -0.799 1 1 836 . 12 1 1 A 83 83 ALA CA C 83 49.425 49.521 -0.096 1 1 837 . 12 1 1 A 83 83 ALA HA H 83 4.791 4.734 0.057 1 1 838 . 12 1 1 A 83 83 ALA CB C 83 20.682 21.999 -1.317 1 1 842 . 12 1 1 A 83 83 ALA C C 83 174.364 174.694 -0.330 1 1 843 . 12 1 1 A 84 84 PRO CA C 84 62.540 63.371 -0.831 1 1 844 . 12 1 1 A 84 84 PRO HA H 84 4.244 4.519 -0.275 1 1 845 . 12 1 1 A 84 84 PRO CB C 84 32.615 33.466 -0.851 1 1 851 . 12 1 1 A 84 84 PRO C C 84 174.214 176.108 -1.894 1 1 855 . 12 1 1 A 85 85 GLY N N 85 105.436 108.275 -2.839 1 1 856 . 12 1 1 A 85 85 GLY H H 85 8.855 7.873 0.982 1 1 857 . 12 1 1 A 85 85 GLY CA C 85 44.156 44.634 -0.478 1 1 858 . 12 1 1 A 85 85 GLY HA3 H 85 3.761 4.253 -0.492 1 1 859 . 12 1 1 A 85 85 GLY C C 85 171.801 172.300 -0.499 1 1 860 . 12 1 1 A 85 85 GLY HA2 H 85 4.515 4.218 0.297 1 1 861 . 12 1 1 A 86 86 ASN N N 86 119.042 120.050 -1.008 1 1 862 . 12 1 1 A 86 86 ASN H H 86 8.573 8.451 0.122 1 1 863 . 12 1 1 A 86 86 ASN CA C 86 52.499 52.340 0.159 1 1 864 . 12 1 1 A 86 86 ASN HA H 86 5.517 5.592 -0.075 1 1 865 . 12 1 1 A 86 86 ASN CB C 86 39.390 40.687 -1.297 1 1 870 . 12 1 1 A 86 86 ASN C C 86 174.453 174.275 0.178 1 1 872 . 12 1 1 A 87 87 TYR N N 87 122.992 123.078 -0.086 1 1 873 . 12 1 1 A 87 87 TYR H H 87 9.369 8.817 0.552 1 1 874 . 12 1 1 A 87 87 TYR CA C 87 56.366 56.483 -0.117 1 1 875 . 12 1 1 A 87 87 TYR HA H 87 5.140 5.582 -0.442 1 1 876 . 12 1 1 A 87 87 TYR CB C 87 40.267 41.604 -1.337 1 1 886 . 12 1 1 A 87 87 TYR C C 87 174.332 174.456 -0.124 1 1 888 . 12 1 1 A 88 88 LEU N N 88 124.720 122.340 2.380 1 1 889 . 12 1 1 A 88 88 LEU H H 88 9.306 9.066 0.240 1 1 890 . 12 1 1 A 88 88 LEU CA C 88 53.426 53.867 -0.441 1 1 891 . 12 1 1 A 88 88 LEU HA H 88 5.253 5.184 0.069 1 1 892 . 12 1 1 A 88 88 LEU CB C 88 44.487 46.120 -1.633 1 1 904 . 12 1 1 A 88 88 LEU C C 88 177.074 174.488 2.586 1 1 906 . 12 1 1 A 89 89 ILE N N 89 130.469 127.169 3.300 1 1 907 . 12 1 1 A 89 89 ILE H H 89 9.807 8.912 0.895 1 1 908 . 12 1 1 A 89 89 ILE CA C 89 60.792 60.075 0.717 1 1 909 . 12 1 1 A 89 89 ILE HA H 89 4.851 4.850 0.001 1 1 910 . 12 1 1 A 89 89 ILE CB C 89 39.662 40.118 -0.456 1 1 922 . 12 1 1 A 89 89 ILE C C 89 175.605 174.148 1.457 1 1 924 . 12 1 1 A 90 90 SER N N 90 123.845 123.282 0.563 1 1 925 . 12 1 1 A 90 90 SER H H 90 9.540 8.517 1.023 1 1 926 . 12 1 1 A 90 90 SER CA C 90 58.036 57.202 0.834 1 1 927 . 12 1 1 A 90 90 SER HA H 90 5.199 5.162 0.037 1 1 928 . 12 1 1 A 90 90 SER CB C 90 64.133 64.089 0.044 1 1 930 . 12 1 1 A 90 90 SER C C 90 173.566 173.800 -0.234 1 1 932 . 12 1 1 A 91 91 VAL N N 91 128.427 127.250 1.177 1 1 933 . 12 1 1 A 91 91 VAL H H 91 9.918 8.586 1.332 1 1 934 . 12 1 1 A 91 91 VAL CA C 91 61.447 61.800 -0.353 1 1 935 . 12 1 1 A 91 91 VAL HA H 91 4.837 4.637 0.200 1 1 936 . 12 1 1 A 91 91 VAL CB C 91 33.761 33.877 -0.116 1 1 946 . 12 1 1 A 91 91 VAL C C 91 173.296 174.894 -1.598 1 1 947 . 12 1 1 A 92 92 LYS N N 92 125.779 126.948 -1.169 1 1 948 . 12 1 1 A 92 92 LYS H H 92 8.892 8.672 0.220 1 1 949 . 12 1 1 A 92 92 LYS CA C 92 54.468 55.118 -0.650 1 1 950 . 12 1 1 A 92 92 LYS HA H 92 5.065 5.089 -0.024 1 1 951 . 12 1 1 A 92 92 LYS CB C 92 36.106 35.020 1.086 1 1 959 . 12 1 1 A 92 92 LYS C C 92 175.189 175.577 -0.388 1 1 964 . 12 1 1 A 93 93 TYR N N 93 120.251 124.272 -4.021 1 1 965 . 12 1 1 A 93 93 TYR H H 93 8.061 9.159 -1.098 1 1 966 . 12 1 1 A 93 93 TYR CA C 93 56.884 57.222 -0.338 1 1 967 . 12 1 1 A 93 93 TYR HA H 93 5.522 4.995 0.527 1 1 968 . 12 1 1 A 93 93 TYR CB C 93 44.120 42.254 1.866 1 1 978 . 12 1 1 A 93 93 TYR C C 93 175.517 175.472 0.045 1 1 980 . 12 1 1 A 94 94 GLY N N 94 114.148 113.249 0.899 1 1 981 . 12 1 1 A 94 94 GLY H H 94 8.274 8.157 0.117 1 1 982 . 12 1 1 A 94 94 GLY CA C 94 45.959 46.620 -0.661 1 1 983 . 12 1 1 A 94 94 GLY HA3 H 94 3.705 3.534 0.171 1 1 984 . 12 1 1 A 94 94 GLY C C 94 173.595 174.215 -0.620 1 1 985 . 12 1 1 A 94 94 GLY HA2 H 94 3.877 3.467 0.410 1 1 986 . 12 1 1 A 95 95 GLY N N 95 107.010 106.736 0.274 1 1 987 . 12 1 1 A 95 95 GLY H H 95 7.452 8.323 -0.871 1 1 988 . 12 1 1 A 95 95 GLY CA C 95 43.954 44.467 -0.513 1 1 989 . 12 1 1 A 95 95 GLY HA3 H 95 3.618 3.964 -0.346 1 1 990 . 12 1 1 A 95 95 GLY C C 95 172.825 174.047 -1.222 1 1 991 . 12 1 1 A 95 95 GLY HA2 H 95 4.507 3.961 0.546 1 1 992 . 12 1 1 A 96 96 PRO CA C 96 63.221 64.787 -1.566 1 1 993 . 12 1 1 A 96 96 PRO HA H 96 4.413 4.411 0.002 1 1 994 . 12 1 1 A 96 96 PRO CB C 96 30.955 31.897 -0.942 1 1 1000 . 12 1 1 A 96 96 PRO C C 96 175.901 176.279 -0.378 1 1 1004 . 12 1 1 A 97 97 ASN N N 97 119.942 117.307 2.635 1 1 1005 . 12 1 1 A 97 97 ASN H H 97 8.172 7.729 0.443 1 1 1006 . 12 1 1 A 97 97 ASN CA C 97 52.914 53.580 -0.666 1 1 1007 . 12 1 1 A 97 97 ASN HA H 97 4.864 4.450 0.414 1 1 1008 . 12 1 1 A 97 97 ASN CB C 97 39.806 38.259 1.547 1 1 1013 . 12 1 1 A 97 97 ASN C C 97 174.285 175.502 -1.217 1 1 1015 . 12 1 1 A 98 98 HIS N N 98 121.803 122.012 -0.209 1 1 1016 . 12 1 1 A 98 98 HIS H H 98 8.456 8.104 0.352 1 1 1017 . 12 1 1 A 98 98 HIS CA C 98 58.023 55.094 2.929 1 1 1018 . 12 1 1 A 98 98 HIS HA H 98 4.475 4.897 -0.422 1 1 1019 . 12 1 1 A 98 98 HIS CB C 98 33.382 31.273 2.109 1 1 1025 . 12 1 1 A 98 98 HIS C C 98 177.938 175.177 2.761 1 1 1027 . 12 1 1 A 99 99 ILE N N 99 115.599 114.996 0.603 1 1 1028 . 12 1 1 A 99 99 ILE H H 99 8.237 8.477 -0.240 1 1 1029 . 12 1 1 A 99 99 ILE CA C 99 60.895 59.194 1.701 1 1 1030 . 12 1 1 A 99 99 ILE HA H 99 4.545 4.613 -0.068 1 1 1031 . 12 1 1 A 99 99 ILE CB C 99 38.675 40.606 -1.931 1 1 1043 . 12 1 1 A 99 99 ILE C C 99 176.165 176.183 -0.018 1 1 1045 . 12 1 1 A 100 100 VAL H H 100 8.389 8.510 -0.121 1 1 1046 . 12 1 1 A 100 100 VAL CA C 100 65.835 65.382 0.453 1 1 1047 . 12 1 1 A 100 100 VAL HA H 100 3.673 3.553 0.120 1 1 1048 . 12 1 1 A 100 100 VAL CB C 100 31.169 31.499 -0.330 1 1 1058 . 12 1 1 A 101 101 GLY N N 101 116.014 115.246 0.768 1 1 1059 . 12 1 1 A 101 101 GLY H H 101 8.297 8.922 -0.625 1 1 1060 . 12 1 1 A 101 101 GLY CA C 101 44.626 45.300 -0.674 1 1 1061 . 12 1 1 A 101 101 GLY HA3 H 101 3.227 4.001 -0.774 1 1 1062 . 12 1 1 A 101 101 GLY C C 101 171.863 173.731 -1.868 1 1 1063 . 12 1 1 A 101 101 GLY HA2 H 101 4.207 3.923 0.284 1 1 1064 . 12 1 1 A 102 102 SER N N 102 111.977 117.342 -5.365 1 1 1065 . 12 1 1 A 102 102 SER H H 102 7.304 7.618 -0.314 1 1 1066 . 12 1 1 A 102 102 SER CA C 102 54.570 55.294 -0.724 1 1 1067 . 12 1 1 A 102 102 SER HA H 102 3.915 3.422 0.493 1 1 1068 . 12 1 1 A 102 102 SER CB C 102 62.569 63.471 -0.902 1 1 1071 . 12 1 1 A 103 103 PRO CA C 103 62.215 62.087 0.128 1 1 1072 . 12 1 1 A 103 103 PRO HA H 103 5.475 4.333 1.142 1 1 1073 . 12 1 1 A 103 103 PRO CB C 103 33.552 32.299 1.253 1 1 1079 . 12 1 1 A 103 103 PRO C C 103 175.646 174.817 0.829 1 1 1083 . 12 1 1 A 104 104 PHE N N 104 123.291 119.496 3.795 1 1 1084 . 12 1 1 A 104 104 PHE H H 104 9.465 8.361 1.104 1 1 1085 . 12 1 1 A 104 104 PHE CA C 104 57.015 57.185 -0.170 1 1 1086 . 12 1 1 A 104 104 PHE HA H 104 4.531 4.837 -0.306 1 1 1087 . 12 1 1 A 104 104 PHE CB C 104 40.607 40.637 -0.030 1 1 1099 . 12 1 1 A 104 104 PHE C C 104 175.305 174.695 0.610 1 1 1101 . 12 1 1 A 105 105 LYS N N 105 123.989 124.338 -0.349 1 1 1102 . 12 1 1 A 105 105 LYS H H 105 8.712 8.994 -0.282 1 1 1103 . 12 1 1 A 105 105 LYS CA C 105 55.868 55.503 0.365 1 1 1104 . 12 1 1 A 105 105 LYS HA H 105 4.913 4.822 0.091 1 1 1105 . 12 1 1 A 105 105 LYS CB C 105 32.762 33.492 -0.730 1 1 1113 . 12 1 1 A 105 105 LYS C C 105 174.065 175.443 -1.378 1 1 1118 . 12 1 1 A 106 106 ALA N N 106 129.654 128.727 0.927 1 1 1119 . 12 1 1 A 106 106 ALA H H 106 8.964 8.914 0.050 1 1 1120 . 12 1 1 A 106 106 ALA CA C 106 50.325 50.196 0.129 1 1 1121 . 12 1 1 A 106 106 ALA HA H 106 4.497 5.246 -0.749 1 1 1122 . 12 1 1 A 106 106 ALA CB C 106 20.496 22.720 -2.224 1 1 1126 . 12 1 1 A 106 106 ALA C C 106 176.111 175.486 0.625 1 1 1127 . 12 1 1 A 107 107 LYS N N 107 124.155 121.879 2.276 1 1 1128 . 12 1 1 A 107 107 LYS H H 107 7.955 8.832 -0.877 1 1 1129 . 12 1 1 A 107 107 LYS CA C 107 55.904 54.670 1.234 1 1 1130 . 12 1 1 A 107 107 LYS HA H 107 4.950 5.100 -0.150 1 1 1131 . 12 1 1 A 107 107 LYS CB C 107 33.755 35.338 -1.583 1 1 1139 . 12 1 1 A 107 107 LYS C C 107 175.350 174.741 0.609 1 1 1144 . 12 1 1 A 108 108 VAL N N 108 128.726 127.687 1.039 1 1 1145 . 12 1 1 A 108 108 VAL H H 108 9.373 8.983 0.390 1 1 1146 . 12 1 1 A 108 108 VAL CA C 108 60.804 61.502 -0.698 1 1 1147 . 12 1 1 A 108 108 VAL HA H 108 4.851 4.696 0.155 1 1 1148 . 12 1 1 A 108 108 VAL CB C 108 33.175 32.711 0.464 1 1 1158 . 12 1 1 A 108 108 VAL C C 108 177.017 175.310 1.707 1 1 1159 . 12 1 1 A 109 109 THR N N 109 121.067 116.962 4.105 1 1 1160 . 12 1 1 A 109 109 THR H H 109 8.527 8.637 -0.110 1 1 1161 . 12 1 1 A 109 109 THR CA C 109 60.138 59.767 0.371 1 1 1162 . 12 1 1 A 109 109 THR HA H 109 4.864 4.897 -0.033 1 1 1163 . 12 1 1 A 109 109 THR CB C 109 70.960 71.538 -0.578 1 1 1169 . 12 1 1 A 109 109 THR C C 109 173.130 173.074 0.056 1 1 1170 . 12 1 1 A 110 110 GLY N N 110 106.893 107.652 -0.759 1 1 1171 . 12 1 1 A 110 110 GLY H H 110 8.404 8.939 -0.535 1 1 1172 . 12 1 1 A 110 110 GLY CA C 110 43.888 43.690 0.198 1 1 1173 . 12 1 1 A 110 110 GLY HA3 H 110 3.851 4.444 -0.593 1 1 1174 . 12 1 1 A 110 110 GLY C C 110 173.870 173.506 0.364 1 1 1175 . 12 1 1 A 110 110 GLY HA2 H 110 4.773 4.441 0.332 1 1 1176 . 12 1 1 A 111 111 GLN N N 111 116.999 118.256 -1.257 1 1 1177 . 12 1 1 A 111 111 GLN H H 111 8.234 8.424 -0.190 1 1 1178 . 12 1 1 A 111 111 GLN CA C 111 55.230 55.858 -0.628 1 1 1179 . 12 1 1 A 111 111 GLN HA H 111 4.269 4.402 -0.133 1 1 1180 . 12 1 1 A 111 111 GLN CB C 111 30.118 28.853 1.265 1 1 1187 . 12 1 1 A 111 111 GLN C C 111 176.550 175.242 1.308 1 1 1190 . 12 1 1 A 112 112 ARG N N 112 122.131 125.369 -3.238 1 1 1191 . 12 1 1 A 112 112 ARG H H 112 8.832 8.213 0.619 1 1 1192 . 12 1 1 A 112 112 ARG CA C 112 57.384 56.845 0.539 1 1 1193 . 12 1 1 A 112 112 ARG HA H 112 4.300 4.286 0.014 1 1 1194 . 12 1 1 A 112 112 ARG CB C 112 30.059 30.850 -0.791 1 1 1200 . 12 1 1 A 112 112 ARG C C 112 175.836 175.849 -0.013 1 1 1204 . 12 1 1 A 113 113 LEU N N 113 126.764 125.306 1.458 1 1 1205 . 12 1 1 A 113 113 LEU H H 113 8.424 8.181 0.243 1 1 1206 . 12 1 1 A 113 113 LEU CA C 113 54.919 53.635 1.284 1 1 1207 . 12 1 1 A 113 113 LEU HA H 113 4.517 4.855 -0.338 1 1 1208 . 12 1 1 A 113 113 LEU CB C 113 42.706 41.935 0.771 1 1 1220 . 12 1 1 A 113 113 LEU C C 113 176.521 176.078 0.443 1 1 1222 . 12 1 1 A 116 116 PRO CA C 116 63.729 63.956 -0.227 1 1 1223 . 12 1 1 A 116 116 PRO HA H 116 4.436 4.452 -0.016 1 1 1224 . 12 1 1 A 116 116 PRO CB C 116 32.182 32.257 -0.075 1 1 1233 . 12 1 1 A 117 117 GLY N N 117 110.092 107.626 2.466 1 1 1234 . 12 1 1 A 117 117 GLY H H 117 8.493 7.383 1.110 1 1 1235 . 12 1 1 A 118 118 SER CA C 118 58.420 56.906 1.514 1 1 1236 . 12 1 1 A 118 118 SER HA H 118 4.454 5.385 -0.931 1 1 1237 . 12 1 1 A 118 118 SER CB C 118 64.014 65.997 -1.983 1 1 1239 . 12 1 1 A 118 118 SER C C 118 174.495 173.159 1.336 1 1 1241 . 12 1 1 A 119 119 ALA N N 119 125.244 126.541 -1.297 1 1 1242 . 12 1 1 A 119 119 ALA H H 119 8.365 9.005 -0.640 1 1 1243 . 12 1 1 A 119 119 ALA CA C 119 52.697 50.545 2.152 1 1 1244 . 12 1 1 A 119 119 ALA HA H 119 4.333 4.920 -0.587 1 1 1245 . 12 1 1 A 119 119 ALA CB C 119 19.378 19.675 -0.297 1 1 1249 . 12 1 1 A 119 119 ALA C C 119 177.362 176.050 1.312 1 1 1250 . 12 1 1 A 120 120 ASN N N 120 117.122 122.811 -5.689 1 1 1251 . 12 1 1 A 120 120 ASN H H 120 8.311 9.002 -0.691 1 1 1252 . 12 1 1 A 120 120 ASN CA C 120 53.198 52.141 1.057 1 1 1253 . 12 1 1 A 120 120 ASN HA H 120 4.659 5.311 -0.652 1 1 1254 . 12 1 1 A 120 120 ASN CB C 120 38.852 39.756 -0.904 1 1 1259 . 12 1 1 A 120 120 ASN C C 120 175.112 174.440 0.672 1 1 1261 . 12 1 1 A 122 122 THR CA C 122 61.947 59.560 2.387 1 1 1262 . 12 1 1 A 122 122 THR HA H 122 4.197 5.040 -0.843 1 1 1263 . 12 1 1 A 122 122 THR CB C 122 69.949 72.062 -2.113 1 1 1 . 13 1 1 A 9 9 LYS N N 9 120.806 121.570 -0.764 1 1 2 . 13 1 1 A 9 9 LYS H H 9 8.548 7.609 0.939 1 1 3 . 13 1 1 A 9 9 LYS CA C 9 56.358 54.769 1.589 1 1 4 . 13 1 1 A 9 9 LYS HA H 9 4.261 4.821 -0.560 1 1 5 . 13 1 1 A 9 9 LYS CB C 9 32.673 34.710 -2.037 1 1 17 . 13 1 1 A 10 10 VAL HA H 10 4.307 4.824 -0.517 1 1 18 . 13 1 1 A 10 10 VAL CB C 10 34.845 34.081 0.764 1 1 24 . 13 1 1 A 11 11 ARG N N 11 125.757 127.336 -1.579 1 1 25 . 13 1 1 A 11 11 ARG H H 11 8.546 8.516 0.030 1 1 26 . 13 1 1 A 11 11 ARG CA C 11 55.966 56.161 -0.195 1 1 27 . 13 1 1 A 11 11 ARG HA H 11 4.463 4.597 -0.134 1 1 28 . 13 1 1 A 11 11 ARG CB C 11 30.834 30.568 0.266 1 1 37 . 13 1 1 A 12 12 VAL CA C 12 62.370 59.829 2.541 1 1 38 . 13 1 1 A 12 12 VAL HA H 12 4.205 4.933 -0.728 1 1 39 . 13 1 1 A 12 12 VAL CB C 12 32.571 35.756 -3.185 1 1 48 . 13 1 1 A 13 13 GLY N N 13 113.294 110.772 2.522 1 1 49 . 13 1 1 A 13 13 GLY H H 13 8.608 8.655 -0.047 1 1 50 . 13 1 1 A 13 13 GLY CA C 13 44.973 45.171 -0.198 1 1 51 . 13 1 1 A 13 13 GLY HA3 H 13 4.024 4.230 -0.206 1 1 52 . 13 1 1 A 13 13 GLY HA2 H 13 3.891 4.229 -0.338 1 1 53 . 13 1 1 A 14 14 GLU N N 14 120.644 118.852 1.792 1 1 54 . 13 1 1 A 14 14 GLU H H 14 8.139 8.531 -0.392 1 1 55 . 13 1 1 A 14 14 GLU CA C 14 54.101 55.408 -1.307 1 1 56 . 13 1 1 A 14 14 GLU HA H 14 4.626 4.331 0.295 1 1 57 . 13 1 1 A 14 14 GLU CB C 14 30.026 29.649 0.377 1 1 63 . 13 1 1 A 15 15 PRO CA C 15 63.731 62.669 1.062 1 1 64 . 13 1 1 A 15 15 PRO HA H 15 4.319 4.540 -0.221 1 1 65 . 13 1 1 A 15 15 PRO CB C 15 31.974 32.212 -0.238 1 1 71 . 13 1 1 A 15 15 PRO C C 15 177.450 177.353 0.097 1 1 75 . 13 1 1 A 16 16 GLY N N 16 109.768 107.667 2.101 1 1 76 . 13 1 1 A 16 16 GLY H H 16 8.577 8.296 0.281 1 1 77 . 13 1 1 A 16 16 GLY CA C 16 45.424 44.364 1.060 1 1 78 . 13 1 1 A 16 16 GLY HA3 H 16 3.804 4.060 -0.256 1 1 79 . 13 1 1 A 16 16 GLY C C 16 174.160 173.578 0.582 1 1 80 . 13 1 1 A 16 16 GLY HA2 H 16 4.086 4.058 0.028 1 1 81 . 13 1 1 A 17 17 GLN N N 17 119.726 120.815 -1.089 1 1 82 . 13 1 1 A 17 17 GLN H H 17 7.868 8.296 -0.428 1 1 83 . 13 1 1 A 17 17 GLN CA C 17 55.403 54.331 1.072 1 1 84 . 13 1 1 A 17 17 GLN HA H 17 4.389 5.019 -0.630 1 1 85 . 13 1 1 A 17 17 GLN CB C 17 29.894 31.502 -1.608 1 1 92 . 13 1 1 A 17 17 GLN C C 17 175.290 174.951 0.339 1 1 95 . 13 1 1 A 18 18 ALA N N 18 125.593 122.831 2.762 1 1 96 . 13 1 1 A 18 18 ALA H H 18 8.469 8.696 -0.227 1 1 97 . 13 1 1 A 18 18 ALA CA C 18 52.389 51.254 1.135 1 1 98 . 13 1 1 A 18 18 ALA HA H 18 4.448 4.750 -0.302 1 1 99 . 13 1 1 A 18 18 ALA CB C 18 19.959 22.184 -2.225 1 1 103 . 13 1 1 A 18 18 ALA C C 18 177.464 176.489 0.975 1 1 104 . 13 1 1 A 19 19 GLY N N 19 109.162 107.797 1.365 1 1 105 . 13 1 1 A 19 19 GLY H H 19 8.294 8.576 -0.282 1 1 106 . 13 1 1 A 19 19 GLY CA C 19 45.270 46.475 -1.205 1 1 107 . 13 1 1 A 19 19 GLY HA3 H 19 3.853 4.312 -0.459 1 1 108 . 13 1 1 A 19 19 GLY C C 19 173.012 174.108 -1.096 1 1 109 . 13 1 1 A 19 19 GLY HA2 H 19 4.207 4.082 0.125 1 1 110 . 13 1 1 A 20 20 ASN N N 20 118.861 120.171 -1.310 1 1 111 . 13 1 1 A 20 20 ASN H H 20 8.479 8.214 0.265 1 1 112 . 13 1 1 A 20 20 ASN CA C 20 50.128 49.525 0.603 1 1 113 . 13 1 1 A 20 20 ASN HA H 20 5.236 5.299 -0.063 1 1 114 . 13 1 1 A 20 20 ASN CB C 20 39.697 40.812 -1.115 1 1 119 . 13 1 1 A 20 20 ASN C C 20 174.482 175.415 -0.933 1 1 121 . 13 1 1 A 21 21 PRO CA C 21 64.588 65.877 -1.289 1 1 122 . 13 1 1 A 21 21 PRO HA H 21 4.312 4.518 -0.206 1 1 123 . 13 1 1 A 21 21 PRO CB C 21 31.950 31.809 0.141 1 1 129 . 13 1 1 A 21 21 PRO C C 21 177.141 178.583 -1.442 1 1 133 . 13 1 1 A 22 22 ALA N N 22 118.898 118.469 0.429 1 1 134 . 13 1 1 A 22 22 ALA H H 22 7.918 8.289 -0.371 1 1 135 . 13 1 1 A 22 22 ALA CA C 22 53.499 55.446 -1.947 1 1 136 . 13 1 1 A 22 22 ALA HA H 22 4.386 4.075 0.311 1 1 137 . 13 1 1 A 22 22 ALA CB C 22 18.288 18.751 -0.463 1 1 141 . 13 1 1 A 22 22 ALA C C 22 178.115 180.250 -2.135 1 1 142 . 13 1 1 A 23 23 LEU N N 23 116.219 117.470 -1.251 1 1 143 . 13 1 1 A 23 23 LEU H H 23 7.696 8.074 -0.378 1 1 144 . 13 1 1 A 23 23 LEU CA C 23 53.851 58.071 -4.220 1 1 145 . 13 1 1 A 23 23 LEU HA H 23 4.475 3.900 0.575 1 1 146 . 13 1 1 A 23 23 LEU CB C 23 41.958 42.143 -0.185 1 1 158 . 13 1 1 A 23 23 LEU C C 23 176.653 178.073 -1.420 1 1 160 . 13 1 1 A 24 24 VAL N N 24 122.233 119.373 2.860 1 1 161 . 13 1 1 A 24 24 VAL H H 24 7.207 7.178 0.029 1 1 162 . 13 1 1 A 24 24 VAL CA C 24 62.768 63.593 -0.825 1 1 163 . 13 1 1 A 24 24 VAL HA H 24 4.081 3.933 0.148 1 1 164 . 13 1 1 A 24 24 VAL CB C 24 32.408 31.781 0.627 1 1 174 . 13 1 1 A 24 24 VAL C C 24 174.702 176.211 -1.509 1 1 175 . 13 1 1 A 25 25 SER N N 25 120.181 121.702 -1.521 1 1 176 . 13 1 1 A 25 25 SER H H 25 8.109 8.956 -0.847 1 1 177 . 13 1 1 A 25 25 SER CA C 25 56.489 56.562 -0.073 1 1 178 . 13 1 1 A 25 25 SER HA H 25 5.159 5.085 0.074 1 1 179 . 13 1 1 A 25 25 SER CB C 25 66.443 65.868 0.575 1 1 181 . 13 1 1 A 25 25 SER C C 25 172.102 172.246 -0.144 1 1 183 . 13 1 1 A 26 26 ALA N N 26 124.850 124.482 0.368 1 1 184 . 13 1 1 A 26 26 ALA H H 26 8.839 8.876 -0.037 1 1 185 . 13 1 1 A 26 26 ALA CA C 26 50.395 50.901 -0.506 1 1 186 . 13 1 1 A 26 26 ALA HA H 26 5.796 5.372 0.424 1 1 187 . 13 1 1 A 26 26 ALA CB C 26 22.868 23.112 -0.244 1 1 191 . 13 1 1 A 26 26 ALA C C 26 175.694 175.459 0.235 1 1 192 . 13 1 1 A 27 27 TYR N N 27 117.541 116.726 0.815 1 1 193 . 13 1 1 A 27 27 TYR H H 27 8.831 8.544 0.287 1 1 194 . 13 1 1 A 27 27 TYR CA C 27 56.610 55.848 0.762 1 1 195 . 13 1 1 A 27 27 TYR HA H 27 4.851 5.284 -0.433 1 1 196 . 13 1 1 A 27 27 TYR CB C 27 39.737 41.441 -1.704 1 1 206 . 13 1 1 A 27 27 TYR C C 27 173.299 173.894 -0.595 1 1 208 . 13 1 1 A 28 28 GLY N N 28 108.355 106.454 1.901 1 1 209 . 13 1 1 A 28 28 GLY H H 28 8.788 8.436 0.352 1 1 210 . 13 1 1 A 28 28 GLY CA C 28 44.056 45.685 -1.629 1 1 211 . 13 1 1 A 28 28 GLY HA3 H 28 4.304 4.226 0.078 1 1 212 . 13 1 1 A 28 28 GLY C C 28 176.208 173.808 2.400 1 1 213 . 13 1 1 A 28 28 GLY HA2 H 28 5.047 4.146 0.901 1 1 214 . 13 1 1 A 29 29 THR N N 29 115.659 114.572 1.087 1 1 215 . 13 1 1 A 29 29 THR H H 29 9.027 7.978 1.049 1 1 216 . 13 1 1 A 29 29 THR CA C 29 65.419 63.535 1.884 1 1 217 . 13 1 1 A 29 29 THR HA H 29 4.171 4.405 -0.234 1 1 218 . 13 1 1 A 29 29 THR CB C 29 68.659 69.821 -1.162 1 1 224 . 13 1 1 A 29 29 THR C C 29 178.141 176.703 1.438 1 1 225 . 13 1 1 A 30 30 GLY N N 30 107.400 108.512 -1.112 1 1 226 . 13 1 1 A 30 30 GLY H H 30 8.747 8.342 0.405 1 1 227 . 13 1 1 A 30 30 GLY CA C 30 46.719 46.864 -0.145 1 1 228 . 13 1 1 A 30 30 GLY HA3 H 30 3.556 3.811 -0.255 1 1 229 . 13 1 1 A 30 30 GLY C C 30 173.896 175.611 -1.715 1 1 230 . 13 1 1 A 30 30 GLY HA2 H 30 4.483 3.748 0.735 1 1 231 . 13 1 1 A 31 31 LEU N N 31 118.075 122.821 -4.746 1 1 232 . 13 1 1 A 31 31 LEU H H 31 7.389 8.045 -0.656 1 1 233 . 13 1 1 A 31 31 LEU CA C 31 55.799 57.469 -1.670 1 1 234 . 13 1 1 A 31 31 LEU HA H 31 3.778 3.944 -0.166 1 1 235 . 13 1 1 A 31 31 LEU CB C 31 41.564 41.075 0.489 1 1 247 . 13 1 1 A 31 31 LEU C C 31 176.045 179.245 -3.200 1 1 249 . 13 1 1 A 32 32 GLU N N 32 112.872 116.658 -3.786 1 1 250 . 13 1 1 A 32 32 GLU H H 32 7.509 8.581 -1.072 1 1 251 . 13 1 1 A 32 32 GLU CA C 32 56.330 58.617 -2.287 1 1 252 . 13 1 1 A 32 32 GLU HA H 32 4.717 4.071 0.646 1 1 253 . 13 1 1 A 32 32 GLU CB C 32 31.924 29.184 2.740 1 1 257 . 13 1 1 A 32 32 GLU C C 32 177.958 176.494 1.464 1 1 260 . 13 1 1 A 33 33 GLY N N 33 107.880 107.704 0.176 1 1 261 . 13 1 1 A 33 33 GLY H H 33 7.822 7.067 0.755 1 1 262 . 13 1 1 A 33 33 GLY CA C 33 45.568 45.291 0.277 1 1 263 . 13 1 1 A 33 33 GLY HA3 H 33 4.125 4.046 0.079 1 1 264 . 13 1 1 A 33 33 GLY C C 33 172.046 171.837 0.209 1 1 265 . 13 1 1 A 33 33 GLY HA2 H 33 4.661 4.031 0.630 1 1 266 . 13 1 1 A 34 34 GLY N N 34 105.841 107.882 -2.041 1 1 267 . 13 1 1 A 34 34 GLY H H 34 7.740 8.814 -1.074 1 1 268 . 13 1 1 A 34 34 GLY CA C 34 45.215 45.267 -0.052 1 1 269 . 13 1 1 A 34 34 GLY HA3 H 34 3.988 4.172 -0.184 1 1 270 . 13 1 1 A 34 34 GLY C C 34 171.280 172.940 -1.660 1 1 271 . 13 1 1 A 34 34 GLY HA2 H 34 4.030 4.152 -0.122 1 1 272 . 13 1 1 A 35 35 THR N N 35 119.173 116.742 2.431 1 1 273 . 13 1 1 A 35 35 THR H H 35 9.363 8.629 0.734 1 1 274 . 13 1 1 A 35 35 THR CA C 35 60.844 60.825 0.019 1 1 275 . 13 1 1 A 35 35 THR HA H 35 5.177 4.882 0.295 1 1 276 . 13 1 1 A 35 35 THR CB C 35 72.095 69.520 2.575 1 1 282 . 13 1 1 A 35 35 THR C C 35 173.460 173.935 -0.475 1 1 283 . 13 1 1 A 36 36 THR N N 36 116.864 121.725 -4.861 1 1 284 . 13 1 1 A 36 36 THR H H 36 8.425 8.550 -0.125 1 1 285 . 13 1 1 A 36 36 THR CA C 36 62.841 64.742 -1.901 1 1 286 . 13 1 1 A 36 36 THR HA H 36 3.701 3.930 -0.229 1 1 287 . 13 1 1 A 36 36 THR CB C 36 68.447 68.310 0.137 1 1 293 . 13 1 1 A 36 36 THR C C 36 175.396 175.823 -0.427 1 1 294 . 13 1 1 A 37 37 GLY N N 37 107.461 114.293 -6.832 1 1 295 . 13 1 1 A 37 37 GLY H H 37 8.548 8.361 0.187 1 1 296 . 13 1 1 A 37 37 GLY CA C 37 45.434 44.940 0.494 1 1 297 . 13 1 1 A 37 37 GLY HA3 H 37 3.386 3.974 -0.588 1 1 298 . 13 1 1 A 37 37 GLY C C 37 172.598 173.612 -1.014 1 1 299 . 13 1 1 A 37 37 GLY HA2 H 37 4.024 3.973 0.051 1 1 300 . 13 1 1 A 38 38 ILE N N 38 122.313 122.356 -0.043 1 1 301 . 13 1 1 A 38 38 ILE H H 38 7.871 7.868 0.003 1 1 302 . 13 1 1 A 38 38 ILE CA C 38 58.566 59.622 -1.056 1 1 303 . 13 1 1 A 38 38 ILE HA H 38 4.274 4.465 -0.191 1 1 304 . 13 1 1 A 38 38 ILE CB C 38 38.476 39.829 -1.353 1 1 316 . 13 1 1 A 38 38 ILE C C 38 175.081 174.780 0.301 1 1 318 . 13 1 1 A 39 39 GLN N N 39 127.942 125.743 2.199 1 1 319 . 13 1 1 A 39 39 GLN H H 39 8.487 8.484 0.003 1 1 320 . 13 1 1 A 39 39 GLN CA C 39 57.394 54.550 2.844 1 1 321 . 13 1 1 A 39 39 GLN HA H 39 4.312 4.683 -0.371 1 1 322 . 13 1 1 A 39 39 GLN CB C 39 31.057 29.647 1.410 1 1 329 . 13 1 1 A 39 39 GLN C C 39 176.011 174.883 1.128 1 1 332 . 13 1 1 A 40 40 SER N N 40 125.784 123.650 2.134 1 1 333 . 13 1 1 A 40 40 SER H H 40 9.167 8.168 0.999 1 1 334 . 13 1 1 A 40 40 SER CA C 40 58.188 58.032 0.156 1 1 335 . 13 1 1 A 40 40 SER HA H 40 4.633 4.727 -0.094 1 1 336 . 13 1 1 A 40 40 SER CB C 40 66.149 64.172 1.977 1 1 338 . 13 1 1 A 40 40 SER C C 40 172.625 173.572 -0.947 1 1 340 . 13 1 1 A 41 41 GLU N N 41 117.679 119.270 -1.591 1 1 341 . 13 1 1 A 41 41 GLU H H 41 8.773 8.938 -0.165 1 1 342 . 13 1 1 A 41 41 GLU CA C 41 54.060 54.562 -0.502 1 1 343 . 13 1 1 A 41 41 GLU HA H 41 5.629 5.200 0.429 1 1 344 . 13 1 1 A 41 41 GLU CB C 41 34.053 33.381 0.672 1 1 348 . 13 1 1 A 41 41 GLU C C 41 175.607 174.175 1.432 1 1 351 . 13 1 1 A 42 42 PHE N N 42 116.557 117.082 -0.525 1 1 352 . 13 1 1 A 42 42 PHE H H 42 8.753 8.062 0.691 1 1 353 . 13 1 1 A 42 42 PHE CA C 42 56.847 54.913 1.934 1 1 354 . 13 1 1 A 42 42 PHE HA H 42 4.743 5.168 -0.425 1 1 355 . 13 1 1 A 42 42 PHE CB C 42 40.908 42.369 -1.461 1 1 367 . 13 1 1 A 42 42 PHE C C 42 170.204 172.223 -2.019 1 1 369 . 13 1 1 A 43 43 PHE N N 43 118.643 118.443 0.200 1 1 370 . 13 1 1 A 43 43 PHE H H 43 9.234 8.219 1.015 1 1 371 . 13 1 1 A 43 43 PHE CA C 43 57.292 57.260 0.032 1 1 372 . 13 1 1 A 43 43 PHE HA H 43 5.041 4.846 0.195 1 1 373 . 13 1 1 A 43 43 PHE CB C 43 42.583 41.019 1.564 1 1 385 . 13 1 1 A 43 43 PHE C C 43 174.177 175.257 -1.080 1 1 387 . 13 1 1 A 44 44 ILE N N 44 120.124 120.548 -0.424 1 1 388 . 13 1 1 A 44 44 ILE H H 44 8.876 9.011 -0.135 1 1 389 . 13 1 1 A 44 44 ILE CA C 44 59.698 60.456 -0.758 1 1 390 . 13 1 1 A 44 44 ILE HA H 44 4.717 4.740 -0.023 1 1 391 . 13 1 1 A 44 44 ILE CB C 44 40.591 40.217 0.374 1 1 403 . 13 1 1 A 44 44 ILE C C 44 174.483 174.880 -0.397 1 1 405 . 13 1 1 A 45 45 ASN N N 45 127.058 125.928 1.130 1 1 406 . 13 1 1 A 45 45 ASN H H 45 9.553 8.596 0.957 1 1 407 . 13 1 1 A 45 45 ASN CA C 45 52.099 52.128 -0.029 1 1 408 . 13 1 1 A 45 45 ASN HA H 45 5.380 4.868 0.512 1 1 409 . 13 1 1 A 45 45 ASN CB C 45 39.596 36.882 2.714 1 1 414 . 13 1 1 A 45 45 ASN C C 45 176.821 175.620 1.201 1 1 416 . 13 1 1 A 46 46 THR H H 46 9.223 8.342 0.881 1 1 417 . 13 1 1 A 46 46 THR CA C 46 61.534 60.902 0.632 1 1 418 . 13 1 1 A 46 46 THR HA H 46 4.368 4.487 -0.119 1 1 419 . 13 1 1 A 46 46 THR CB C 46 68.352 68.374 -0.022 1 1 425 . 13 1 1 A 46 46 THR C C 46 176.816 174.829 1.987 1 1 426 . 13 1 1 A 47 47 THR N N 47 116.732 116.996 -0.264 1 1 427 . 13 1 1 A 47 47 THR H H 47 8.368 7.805 0.563 1 1 428 . 13 1 1 A 47 47 THR CA C 47 65.916 63.595 2.321 1 1 429 . 13 1 1 A 47 47 THR HA H 47 4.032 4.305 -0.273 1 1 430 . 13 1 1 A 47 47 THR CB C 47 69.870 69.339 0.531 1 1 436 . 13 1 1 A 47 47 THR C C 47 176.865 176.324 0.541 1 1 437 . 13 1 1 A 48 48 ARG N N 48 119.205 120.813 -1.608 1 1 438 . 13 1 1 A 48 48 ARG H H 48 8.785 8.188 0.597 1 1 439 . 13 1 1 A 48 48 ARG CA C 48 56.273 58.766 -2.493 1 1 440 . 13 1 1 A 48 48 ARG HA H 48 4.488 4.103 0.385 1 1 441 . 13 1 1 A 48 48 ARG CB C 48 30.862 29.721 1.141 1 1 447 . 13 1 1 A 48 48 ARG C C 48 176.314 178.358 -2.044 1 1 451 . 13 1 1 A 49 49 ALA N N 49 120.807 120.419 0.388 1 1 452 . 13 1 1 A 49 49 ALA H H 49 7.440 7.759 -0.319 1 1 453 . 13 1 1 A 49 49 ALA CA C 49 53.138 53.359 -0.221 1 1 454 . 13 1 1 A 49 49 ALA HA H 49 4.341 4.136 0.205 1 1 455 . 13 1 1 A 49 49 ALA CB C 49 22.427 19.483 2.944 1 1 459 . 13 1 1 A 49 49 ALA C C 49 177.914 178.005 -0.091 1 1 460 . 13 1 1 A 50 50 GLY N N 50 105.941 103.295 2.646 1 1 461 . 13 1 1 A 50 50 GLY H H 50 7.924 7.554 0.370 1 1 462 . 13 1 1 A 50 50 GLY CA C 50 44.229 44.202 0.027 1 1 463 . 13 1 1 A 50 50 GLY HA3 H 50 4.325 4.183 0.142 1 1 464 . 13 1 1 A 50 50 GLY C C 50 171.089 172.845 -1.756 1 1 465 . 13 1 1 A 50 50 GLY HA2 H 50 3.948 4.120 -0.172 1 1 466 . 13 1 1 A 51 51 PRO CA C 51 63.140 63.335 -0.195 1 1 467 . 13 1 1 A 51 51 PRO HA H 51 4.588 4.421 0.167 1 1 468 . 13 1 1 A 51 51 PRO CB C 51 33.004 33.331 -0.327 1 1 477 . 13 1 1 A 52 52 GLY CA C 52 45.195 44.536 0.659 1 1 478 . 13 1 1 A 52 52 GLY HA3 H 52 3.275 4.226 -0.951 1 1 479 . 13 1 1 A 52 52 GLY HA2 H 52 3.852 4.203 -0.351 1 1 480 . 13 1 1 A 53 53 THR N N 53 114.003 112.534 1.469 1 1 481 . 13 1 1 A 53 53 THR H H 53 8.049 8.451 -0.402 1 1 482 . 13 1 1 A 53 53 THR CA C 53 62.352 62.165 0.187 1 1 483 . 13 1 1 A 53 53 THR HA H 53 4.436 4.588 -0.152 1 1 484 . 13 1 1 A 53 53 THR CB C 53 69.631 69.835 -0.204 1 1 490 . 13 1 1 A 54 54 LEU CA C 54 53.891 53.025 0.866 1 1 491 . 13 1 1 A 54 54 LEU HA H 54 5.077 5.601 -0.524 1 1 492 . 13 1 1 A 54 54 LEU CB C 54 44.515 46.397 -1.882 1 1 503 . 13 1 1 A 55 55 SER N N 55 120.726 115.066 5.660 1 1 504 . 13 1 1 A 55 55 SER H H 55 8.783 8.719 0.064 1 1 505 . 13 1 1 A 55 55 SER CA C 55 56.249 56.720 -0.471 1 1 506 . 13 1 1 A 55 55 SER HA H 55 5.092 5.119 -0.027 1 1 507 . 13 1 1 A 55 55 SER CB C 55 65.032 65.028 0.004 1 1 509 . 13 1 1 A 55 55 SER C C 55 173.165 172.567 0.598 1 1 511 . 13 1 1 A 56 56 VAL N N 56 126.234 128.021 -1.787 1 1 512 . 13 1 1 A 56 56 VAL H H 56 8.336 9.181 -0.845 1 1 513 . 13 1 1 A 56 56 VAL CA C 56 60.515 59.645 0.870 1 1 514 . 13 1 1 A 56 56 VAL HA H 56 5.134 5.247 -0.113 1 1 515 . 13 1 1 A 56 56 VAL CB C 56 34.463 34.697 -0.234 1 1 520 . 13 1 1 A 56 56 VAL C C 56 174.718 173.798 0.920 1 1 521 . 13 1 1 A 57 57 THR N N 57 120.539 124.079 -3.540 1 1 522 . 13 1 1 A 57 57 THR H H 57 8.828 9.076 -0.248 1 1 523 . 13 1 1 A 57 57 THR CA C 57 60.580 61.939 -1.359 1 1 524 . 13 1 1 A 57 57 THR HA H 57 5.132 5.100 0.032 1 1 525 . 13 1 1 A 57 57 THR CB C 57 72.187 70.822 1.365 1 1 531 . 13 1 1 A 57 57 THR C C 57 172.970 173.462 -0.492 1 1 532 . 13 1 1 A 58 58 ILE N N 58 123.949 128.849 -4.900 1 1 533 . 13 1 1 A 58 58 ILE H H 58 9.249 9.173 0.076 1 1 534 . 13 1 1 A 58 58 ILE CA C 58 61.297 59.929 1.368 1 1 535 . 13 1 1 A 58 58 ILE HA H 58 5.001 5.185 -0.184 1 1 536 . 13 1 1 A 58 58 ILE CB C 58 39.755 38.999 0.756 1 1 548 . 13 1 1 A 58 58 ILE C C 58 174.848 175.106 -0.258 1 1 550 . 13 1 1 A 59 59 GLU N N 59 129.027 125.854 3.173 1 1 551 . 13 1 1 A 59 59 GLU H H 59 8.966 9.013 -0.047 1 1 552 . 13 1 1 A 59 59 GLU CA C 59 53.911 54.589 -0.678 1 1 553 . 13 1 1 A 59 59 GLU HA H 59 5.427 5.186 0.241 1 1 554 . 13 1 1 A 59 59 GLU CB C 59 33.843 32.926 0.917 1 1 558 . 13 1 1 A 59 59 GLU C C 59 175.342 175.924 -0.582 1 1 561 . 13 1 1 A 60 60 GLY N N 60 110.765 109.062 1.703 1 1 562 . 13 1 1 A 60 60 GLY H H 60 8.597 8.171 0.426 1 1 563 . 13 1 1 A 60 60 GLY CA C 60 45.997 44.646 1.351 1 1 564 . 13 1 1 A 60 60 GLY HA3 H 60 3.908 3.830 0.078 1 1 565 . 13 1 1 A 60 60 GLY C C 60 171.205 174.041 -2.836 1 1 566 . 13 1 1 A 60 60 GLY HA2 H 60 3.685 3.220 0.465 1 1 567 . 13 1 1 A 61 61 PRO CA C 61 64.057 64.362 -0.305 1 1 568 . 13 1 1 A 61 61 PRO HA H 61 4.415 4.331 0.084 1 1 569 . 13 1 1 A 61 61 PRO CB C 61 32.143 32.163 -0.020 1 1 575 . 13 1 1 A 61 61 PRO C C 61 175.925 176.478 -0.553 1 1 579 . 13 1 1 A 62 62 SER N N 62 108.413 114.036 -5.623 1 1 580 . 13 1 1 A 62 62 SER H H 62 7.144 7.888 -0.744 1 1 581 . 13 1 1 A 62 62 SER CA C 62 57.037 57.946 -0.909 1 1 582 . 13 1 1 A 62 62 SER HA H 62 4.596 4.814 -0.218 1 1 583 . 13 1 1 A 62 62 SER CB C 62 66.522 64.739 1.783 1 1 585 . 13 1 1 A 62 62 SER C C 62 172.446 173.845 -1.399 1 1 587 . 13 1 1 A 63 63 LYS N N 63 122.539 125.623 -3.084 1 1 588 . 13 1 1 A 63 63 LYS H H 63 8.620 8.453 0.167 1 1 589 . 13 1 1 A 63 63 LYS CA C 63 56.407 56.575 -0.168 1 1 590 . 13 1 1 A 63 63 LYS HA H 63 4.267 4.237 0.030 1 1 591 . 13 1 1 A 63 63 LYS CB C 63 32.576 32.878 -0.302 1 1 596 . 13 1 1 A 63 63 LYS C C 63 176.658 176.751 -0.093 1 1 601 . 13 1 1 A 64 64 VAL N N 64 120.278 115.450 4.828 1 1 602 . 13 1 1 A 64 64 VAL H H 64 8.554 8.832 -0.278 1 1 603 . 13 1 1 A 64 64 VAL CA C 64 60.425 58.965 1.460 1 1 604 . 13 1 1 A 64 64 VAL HA H 64 4.460 4.932 -0.472 1 1 605 . 13 1 1 A 64 64 VAL CB C 64 32.938 35.782 -2.844 1 1 615 . 13 1 1 A 64 64 VAL C C 64 176.629 174.439 2.190 1 1 616 . 13 1 1 A 65 65 LYS N N 65 121.529 123.431 -1.902 1 1 617 . 13 1 1 A 65 65 LYS H H 65 8.139 8.420 -0.281 1 1 618 . 13 1 1 A 65 65 LYS CA C 65 56.181 55.733 0.448 1 1 619 . 13 1 1 A 65 65 LYS HA H 65 4.474 4.637 -0.163 1 1 620 . 13 1 1 A 65 65 LYS CB C 65 32.960 32.572 0.388 1 1 627 . 13 1 1 A 65 65 LYS C C 65 176.309 176.012 0.297 1 1 632 . 13 1 1 A 66 66 MET N N 66 125.382 125.560 -0.178 1 1 633 . 13 1 1 A 66 66 MET H H 66 8.811 8.822 -0.011 1 1 634 . 13 1 1 A 66 66 MET CA C 66 55.055 54.237 0.818 1 1 635 . 13 1 1 A 66 66 MET HA H 66 5.393 5.100 0.293 1 1 636 . 13 1 1 A 66 66 MET CB C 66 37.398 33.745 3.653 1 1 644 . 13 1 1 A 66 66 MET C C 66 174.026 175.381 -1.355 1 1 647 . 13 1 1 A 67 67 ASP N N 67 122.714 123.743 -1.029 1 1 648 . 13 1 1 A 67 67 ASP H H 67 8.995 8.797 0.198 1 1 649 . 13 1 1 A 67 67 ASP CA C 67 53.231 52.578 0.653 1 1 650 . 13 1 1 A 67 67 ASP HA H 67 4.854 5.079 -0.225 1 1 651 . 13 1 1 A 67 67 ASP CB C 67 44.980 42.288 2.692 1 1 654 . 13 1 1 A 68 68 CYS H H 68 8.412 8.681 -0.269 1 1 655 . 13 1 1 A 68 68 CYS CA C 68 56.390 59.921 -3.531 1 1 656 . 13 1 1 A 68 68 CYS HA H 68 5.288 4.531 0.757 1 1 657 . 13 1 1 A 68 68 CYS CB C 68 28.188 28.020 0.168 1 1 660 . 13 1 1 A 69 69 GLN N N 69 125.044 121.424 3.620 1 1 661 . 13 1 1 A 69 69 GLN H H 69 9.116 8.805 0.311 1 1 662 . 13 1 1 A 69 69 GLN CA C 69 56.403 55.751 0.652 1 1 663 . 13 1 1 A 69 69 GLN HA H 69 5.290 4.651 0.639 1 1 664 . 13 1 1 A 69 69 GLN CB C 69 32.962 31.511 1.451 1 1 671 . 13 1 1 A 70 70 GLU N N 70 125.781 128.460 -2.679 1 1 672 . 13 1 1 A 70 70 GLU H H 70 8.979 8.839 0.140 1 1 673 . 13 1 1 A 70 70 GLU CA C 70 56.418 57.024 -0.606 1 1 674 . 13 1 1 A 70 70 GLU HA H 70 4.029 4.787 -0.758 1 1 675 . 13 1 1 A 70 70 GLU CB C 70 30.585 30.448 0.137 1 1 681 . 13 1 1 A 71 71 THR N N 71 118.158 117.564 0.594 1 1 682 . 13 1 1 A 71 71 THR H H 71 8.455 8.762 -0.307 1 1 683 . 13 1 1 A 71 71 THR CA C 71 59.209 58.687 0.522 1 1 684 . 13 1 1 A 71 71 THR HA H 71 4.902 4.996 -0.094 1 1 685 . 13 1 1 A 71 71 THR CB C 71 68.926 69.637 -0.711 1 1 691 . 13 1 1 A 72 72 PRO CA C 72 65.290 64.332 0.958 1 1 692 . 13 1 1 A 72 72 PRO HA H 72 4.296 4.552 -0.256 1 1 693 . 13 1 1 A 72 72 PRO CB C 72 31.848 31.694 0.154 1 1 699 . 13 1 1 A 72 72 PRO C C 72 177.476 177.304 0.172 1 1 703 . 13 1 1 A 73 73 GLU N N 73 112.293 117.086 -4.793 1 1 704 . 13 1 1 A 73 73 GLU H H 73 7.562 8.679 -1.117 1 1 705 . 13 1 1 A 73 73 GLU CA C 73 55.577 57.915 -2.338 1 1 706 . 13 1 1 A 73 73 GLU HA H 73 4.370 4.402 -0.032 1 1 707 . 13 1 1 A 73 73 GLU CB C 73 30.787 31.502 -0.715 1 1 711 . 13 1 1 A 73 73 GLU C C 73 174.438 176.947 -2.509 1 1 714 . 13 1 1 A 74 74 GLY N N 74 109.223 104.564 4.659 1 1 715 . 13 1 1 A 74 74 GLY H H 74 7.324 7.247 0.077 1 1 716 . 13 1 1 A 74 74 GLY CA C 74 47.146 46.199 0.947 1 1 717 . 13 1 1 A 74 74 GLY HA3 H 74 3.551 4.219 -0.668 1 1 718 . 13 1 1 A 74 74 GLY C C 74 172.589 171.647 0.942 1 1 719 . 13 1 1 A 74 74 GLY HA2 H 74 4.949 4.205 0.744 1 1 720 . 13 1 1 A 75 75 TYR N N 75 123.117 119.316 3.801 1 1 721 . 13 1 1 A 75 75 TYR H H 75 8.883 8.129 0.754 1 1 722 . 13 1 1 A 75 75 TYR CA C 75 57.566 57.803 -0.237 1 1 723 . 13 1 1 A 75 75 TYR HA H 75 5.171 4.956 0.215 1 1 724 . 13 1 1 A 75 75 TYR CB C 75 44.111 41.735 2.376 1 1 734 . 13 1 1 A 75 75 TYR C C 75 173.925 173.069 0.856 1 1 736 . 13 1 1 A 76 76 LYS N N 76 124.633 128.784 -4.151 1 1 737 . 13 1 1 A 76 76 LYS H H 76 9.390 8.551 0.839 1 1 738 . 13 1 1 A 76 76 LYS CA C 76 55.055 54.425 0.630 1 1 739 . 13 1 1 A 76 76 LYS HA H 76 4.594 4.672 -0.078 1 1 740 . 13 1 1 A 76 76 LYS CB C 76 35.124 34.925 0.199 1 1 748 . 13 1 1 A 76 76 LYS C C 76 174.069 174.405 -0.336 1 1 753 . 13 1 1 A 77 77 VAL N N 77 126.947 125.143 1.804 1 1 754 . 13 1 1 A 77 77 VAL H H 77 8.607 7.649 0.958 1 1 755 . 13 1 1 A 77 77 VAL CA C 77 60.894 59.894 1.000 1 1 756 . 13 1 1 A 77 77 VAL HA H 77 4.280 4.418 -0.138 1 1 757 . 13 1 1 A 77 77 VAL CB C 77 32.115 33.945 -1.830 1 1 767 . 13 1 1 A 77 77 VAL C C 77 173.586 174.250 -0.664 1 1 768 . 13 1 1 A 78 78 MET N N 78 123.986 124.732 -0.746 1 1 769 . 13 1 1 A 78 78 MET H H 78 8.410 8.477 -0.067 1 1 770 . 13 1 1 A 78 78 MET CA C 78 53.236 54.413 -1.177 1 1 771 . 13 1 1 A 78 78 MET HA H 78 5.290 5.110 0.180 1 1 772 . 13 1 1 A 78 78 MET CB C 78 36.873 36.748 0.125 1 1 780 . 13 1 1 A 78 78 MET C C 78 174.665 174.368 0.297 1 1 783 . 13 1 1 A 79 79 TYR N N 79 117.488 119.551 -2.063 1 1 784 . 13 1 1 A 79 79 TYR H H 79 8.739 8.375 0.364 1 1 785 . 13 1 1 A 79 79 TYR CA C 79 56.011 56.067 -0.056 1 1 786 . 13 1 1 A 79 79 TYR HA H 79 5.654 5.478 0.176 1 1 787 . 13 1 1 A 79 79 TYR CB C 79 41.549 41.944 -0.395 1 1 797 . 13 1 1 A 79 79 TYR C C 79 172.927 173.241 -0.314 1 1 799 . 13 1 1 A 80 80 THR H H 80 8.383 8.783 -0.400 1 1 800 . 13 1 1 A 80 80 THR CA C 80 58.611 58.972 -0.361 1 1 801 . 13 1 1 A 80 80 THR HA H 80 4.978 4.704 0.274 1 1 802 . 13 1 1 A 80 80 THR CB C 80 70.258 70.826 -0.568 1 1 808 . 13 1 1 A 81 81 PRO CA C 81 61.531 62.975 -1.444 1 1 809 . 13 1 1 A 81 81 PRO HA H 81 4.532 4.738 -0.206 1 1 810 . 13 1 1 A 81 81 PRO CB C 81 32.774 32.344 0.430 1 1 819 . 13 1 1 A 82 82 MET N N 82 117.590 121.206 -3.616 1 1 820 . 13 1 1 A 82 82 MET H H 82 8.299 8.845 -0.546 1 1 821 . 13 1 1 A 82 82 MET CA C 82 53.882 56.895 -3.013 1 1 822 . 13 1 1 A 82 82 MET HA H 82 4.851 4.538 0.313 1 1 823 . 13 1 1 A 82 82 MET CB C 82 33.337 33.956 -0.619 1 1 831 . 13 1 1 A 82 82 MET C C 82 174.339 175.977 -1.638 1 1 834 . 13 1 1 A 83 83 ALA N N 83 119.196 119.855 -0.659 1 1 835 . 13 1 1 A 83 83 ALA H H 83 7.076 7.909 -0.833 1 1 836 . 13 1 1 A 83 83 ALA CA C 83 49.425 49.758 -0.333 1 1 837 . 13 1 1 A 83 83 ALA HA H 83 4.791 4.749 0.042 1 1 838 . 13 1 1 A 83 83 ALA CB C 83 20.682 21.415 -0.733 1 1 842 . 13 1 1 A 83 83 ALA C C 83 174.364 174.615 -0.251 1 1 843 . 13 1 1 A 84 84 PRO CA C 84 62.540 63.349 -0.809 1 1 844 . 13 1 1 A 84 84 PRO HA H 84 4.244 4.556 -0.312 1 1 845 . 13 1 1 A 84 84 PRO CB C 84 32.615 33.353 -0.738 1 1 851 . 13 1 1 A 84 84 PRO C C 84 174.214 175.929 -1.715 1 1 855 . 13 1 1 A 85 85 GLY N N 85 105.436 107.845 -2.409 1 1 856 . 13 1 1 A 85 85 GLY H H 85 8.855 8.237 0.618 1 1 857 . 13 1 1 A 85 85 GLY CA C 85 44.156 44.830 -0.674 1 1 858 . 13 1 1 A 85 85 GLY HA3 H 85 3.761 4.302 -0.541 1 1 859 . 13 1 1 A 85 85 GLY C C 85 171.801 172.167 -0.366 1 1 860 . 13 1 1 A 85 85 GLY HA2 H 85 4.515 4.262 0.253 1 1 861 . 13 1 1 A 86 86 ASN N N 86 119.042 119.280 -0.238 1 1 862 . 13 1 1 A 86 86 ASN H H 86 8.573 8.416 0.157 1 1 863 . 13 1 1 A 86 86 ASN CA C 86 52.499 52.642 -0.143 1 1 864 . 13 1 1 A 86 86 ASN HA H 86 5.517 5.576 -0.059 1 1 865 . 13 1 1 A 86 86 ASN CB C 86 39.390 40.505 -1.115 1 1 870 . 13 1 1 A 86 86 ASN C C 86 174.453 174.383 0.070 1 1 872 . 13 1 1 A 87 87 TYR N N 87 122.992 123.079 -0.087 1 1 873 . 13 1 1 A 87 87 TYR H H 87 9.369 8.824 0.545 1 1 874 . 13 1 1 A 87 87 TYR CA C 87 56.366 56.569 -0.203 1 1 875 . 13 1 1 A 87 87 TYR HA H 87 5.140 5.385 -0.245 1 1 876 . 13 1 1 A 87 87 TYR CB C 87 40.267 41.297 -1.030 1 1 886 . 13 1 1 A 87 87 TYR C C 87 174.332 174.512 -0.180 1 1 888 . 13 1 1 A 88 88 LEU N N 88 124.720 124.274 0.446 1 1 889 . 13 1 1 A 88 88 LEU H H 88 9.306 8.768 0.538 1 1 890 . 13 1 1 A 88 88 LEU CA C 88 53.426 53.643 -0.217 1 1 891 . 13 1 1 A 88 88 LEU HA H 88 5.253 5.360 -0.107 1 1 892 . 13 1 1 A 88 88 LEU CB C 88 44.487 45.163 -0.676 1 1 904 . 13 1 1 A 88 88 LEU C C 88 177.074 174.741 2.333 1 1 906 . 13 1 1 A 89 89 ILE N N 89 130.469 128.641 1.828 1 1 907 . 13 1 1 A 89 89 ILE H H 89 9.807 9.270 0.537 1 1 908 . 13 1 1 A 89 89 ILE CA C 89 60.792 59.949 0.843 1 1 909 . 13 1 1 A 89 89 ILE HA H 89 4.851 4.927 -0.076 1 1 910 . 13 1 1 A 89 89 ILE CB C 89 39.662 39.694 -0.032 1 1 922 . 13 1 1 A 89 89 ILE C C 89 175.605 175.133 0.472 1 1 924 . 13 1 1 A 90 90 SER N N 90 123.845 123.786 0.059 1 1 925 . 13 1 1 A 90 90 SER H H 90 9.540 8.740 0.800 1 1 926 . 13 1 1 A 90 90 SER CA C 90 58.036 57.656 0.380 1 1 927 . 13 1 1 A 90 90 SER HA H 90 5.199 5.251 -0.052 1 1 928 . 13 1 1 A 90 90 SER CB C 90 64.133 65.665 -1.532 1 1 930 . 13 1 1 A 90 90 SER C C 90 173.566 173.335 0.231 1 1 932 . 13 1 1 A 91 91 VAL N N 91 128.427 123.351 5.076 1 1 933 . 13 1 1 A 91 91 VAL H H 91 9.918 8.750 1.168 1 1 934 . 13 1 1 A 91 91 VAL CA C 91 61.447 61.626 -0.179 1 1 935 . 13 1 1 A 91 91 VAL HA H 91 4.837 4.805 0.032 1 1 936 . 13 1 1 A 91 91 VAL CB C 91 33.761 34.968 -1.207 1 1 946 . 13 1 1 A 91 91 VAL C C 91 173.296 174.751 -1.455 1 1 947 . 13 1 1 A 92 92 LYS N N 92 125.779 126.311 -0.532 1 1 948 . 13 1 1 A 92 92 LYS H H 92 8.892 8.757 0.135 1 1 949 . 13 1 1 A 92 92 LYS CA C 92 54.468 54.930 -0.462 1 1 950 . 13 1 1 A 92 92 LYS HA H 92 5.065 5.165 -0.100 1 1 951 . 13 1 1 A 92 92 LYS CB C 92 36.106 35.482 0.624 1 1 959 . 13 1 1 A 92 92 LYS C C 92 175.189 174.280 0.909 1 1 964 . 13 1 1 A 93 93 TYR N N 93 120.251 125.048 -4.797 1 1 965 . 13 1 1 A 93 93 TYR H H 93 8.061 9.091 -1.030 1 1 966 . 13 1 1 A 93 93 TYR CA C 93 56.884 56.924 -0.040 1 1 967 . 13 1 1 A 93 93 TYR HA H 93 5.522 5.080 0.442 1 1 968 . 13 1 1 A 93 93 TYR CB C 93 44.120 41.591 2.529 1 1 978 . 13 1 1 A 93 93 TYR C C 93 175.517 175.896 -0.379 1 1 980 . 13 1 1 A 94 94 GLY N N 94 114.148 114.903 -0.755 1 1 981 . 13 1 1 A 94 94 GLY H H 94 8.274 8.139 0.135 1 1 982 . 13 1 1 A 94 94 GLY CA C 94 45.959 45.482 0.477 1 1 983 . 13 1 1 A 94 94 GLY HA3 H 94 3.705 3.630 0.075 1 1 984 . 13 1 1 A 94 94 GLY C C 94 173.595 174.118 -0.523 1 1 985 . 13 1 1 A 94 94 GLY HA2 H 94 3.877 3.516 0.361 1 1 986 . 13 1 1 A 95 95 GLY N N 95 107.010 108.243 -1.233 1 1 987 . 13 1 1 A 95 95 GLY H H 95 7.452 8.010 -0.558 1 1 988 . 13 1 1 A 95 95 GLY CA C 95 43.954 44.307 -0.353 1 1 989 . 13 1 1 A 95 95 GLY HA3 H 95 3.618 4.083 -0.465 1 1 990 . 13 1 1 A 95 95 GLY C C 95 172.825 174.728 -1.903 1 1 991 . 13 1 1 A 95 95 GLY HA2 H 95 4.507 4.080 0.427 1 1 992 . 13 1 1 A 96 96 PRO CA C 96 63.221 64.428 -1.207 1 1 993 . 13 1 1 A 96 96 PRO HA H 96 4.413 4.382 0.031 1 1 994 . 13 1 1 A 96 96 PRO CB C 96 30.955 31.903 -0.948 1 1 1000 . 13 1 1 A 96 96 PRO C C 96 175.901 176.253 -0.352 1 1 1004 . 13 1 1 A 97 97 ASN N N 97 119.942 117.142 2.800 1 1 1005 . 13 1 1 A 97 97 ASN H H 97 8.172 7.953 0.219 1 1 1006 . 13 1 1 A 97 97 ASN CA C 97 52.914 52.908 0.006 1 1 1007 . 13 1 1 A 97 97 ASN HA H 97 4.864 4.488 0.376 1 1 1008 . 13 1 1 A 97 97 ASN CB C 97 39.806 38.652 1.154 1 1 1013 . 13 1 1 A 97 97 ASN C C 97 174.285 175.257 -0.972 1 1 1015 . 13 1 1 A 98 98 HIS N N 98 121.803 123.310 -1.507 1 1 1016 . 13 1 1 A 98 98 HIS H H 98 8.456 8.278 0.178 1 1 1017 . 13 1 1 A 98 98 HIS CA C 98 58.023 55.513 2.510 1 1 1018 . 13 1 1 A 98 98 HIS HA H 98 4.475 4.634 -0.159 1 1 1019 . 13 1 1 A 98 98 HIS CB C 98 33.382 30.987 2.395 1 1 1025 . 13 1 1 A 98 98 HIS C C 98 177.938 175.436 2.502 1 1 1027 . 13 1 1 A 99 99 ILE N N 99 115.599 116.280 -0.681 1 1 1028 . 13 1 1 A 99 99 ILE H H 99 8.237 8.131 0.106 1 1 1029 . 13 1 1 A 99 99 ILE CA C 99 60.895 59.395 1.500 1 1 1030 . 13 1 1 A 99 99 ILE HA H 99 4.545 4.430 0.115 1 1 1031 . 13 1 1 A 99 99 ILE CB C 99 38.675 39.902 -1.227 1 1 1043 . 13 1 1 A 99 99 ILE C C 99 176.165 176.046 0.119 1 1 1045 . 13 1 1 A 100 100 VAL H H 100 8.389 8.519 -0.130 1 1 1046 . 13 1 1 A 100 100 VAL CA C 100 65.835 63.612 2.223 1 1 1047 . 13 1 1 A 100 100 VAL HA H 100 3.673 3.853 -0.180 1 1 1048 . 13 1 1 A 100 100 VAL CB C 100 31.169 31.821 -0.652 1 1 1058 . 13 1 1 A 101 101 GLY N N 101 116.014 117.815 -1.801 1 1 1059 . 13 1 1 A 101 101 GLY H H 101 8.297 8.842 -0.545 1 1 1060 . 13 1 1 A 101 101 GLY CA C 101 44.626 45.179 -0.553 1 1 1061 . 13 1 1 A 101 101 GLY HA3 H 101 3.227 3.880 -0.653 1 1 1062 . 13 1 1 A 101 101 GLY C C 101 171.863 173.626 -1.763 1 1 1063 . 13 1 1 A 101 101 GLY HA2 H 101 4.207 3.871 0.336 1 1 1064 . 13 1 1 A 102 102 SER N N 102 111.977 117.429 -5.452 1 1 1065 . 13 1 1 A 102 102 SER H H 102 7.304 7.350 -0.046 1 1 1066 . 13 1 1 A 102 102 SER CA C 102 54.570 55.347 -0.777 1 1 1067 . 13 1 1 A 102 102 SER HA H 102 3.915 3.788 0.127 1 1 1068 . 13 1 1 A 102 102 SER CB C 102 62.569 63.639 -1.070 1 1 1071 . 13 1 1 A 103 103 PRO CA C 103 62.215 62.266 -0.051 1 1 1072 . 13 1 1 A 103 103 PRO HA H 103 5.475 4.409 1.066 1 1 1073 . 13 1 1 A 103 103 PRO CB C 103 33.552 32.525 1.027 1 1 1079 . 13 1 1 A 103 103 PRO C C 103 175.646 176.145 -0.499 1 1 1083 . 13 1 1 A 104 104 PHE N N 104 123.291 121.093 2.198 1 1 1084 . 13 1 1 A 104 104 PHE H H 104 9.465 8.666 0.799 1 1 1085 . 13 1 1 A 104 104 PHE CA C 104 57.015 57.600 -0.585 1 1 1086 . 13 1 1 A 104 104 PHE HA H 104 4.531 4.813 -0.282 1 1 1087 . 13 1 1 A 104 104 PHE CB C 104 40.607 40.152 0.455 1 1 1099 . 13 1 1 A 104 104 PHE C C 104 175.305 174.779 0.526 1 1 1101 . 13 1 1 A 105 105 LYS N N 105 123.989 124.741 -0.752 1 1 1102 . 13 1 1 A 105 105 LYS H H 105 8.712 9.028 -0.316 1 1 1103 . 13 1 1 A 105 105 LYS CA C 105 55.868 55.130 0.738 1 1 1104 . 13 1 1 A 105 105 LYS HA H 105 4.913 4.903 0.010 1 1 1105 . 13 1 1 A 105 105 LYS CB C 105 32.762 33.347 -0.585 1 1 1113 . 13 1 1 A 105 105 LYS C C 105 174.065 174.933 -0.868 1 1 1118 . 13 1 1 A 106 106 ALA N N 106 129.654 129.311 0.343 1 1 1119 . 13 1 1 A 106 106 ALA H H 106 8.964 8.162 0.802 1 1 1120 . 13 1 1 A 106 106 ALA CA C 106 50.325 51.831 -1.506 1 1 1121 . 13 1 1 A 106 106 ALA HA H 106 4.497 4.722 -0.225 1 1 1122 . 13 1 1 A 106 106 ALA CB C 106 20.496 20.304 0.192 1 1 1126 . 13 1 1 A 106 106 ALA C C 106 176.111 176.954 -0.843 1 1 1127 . 13 1 1 A 107 107 LYS N N 107 124.155 122.591 1.564 1 1 1128 . 13 1 1 A 107 107 LYS H H 107 7.955 8.597 -0.642 1 1 1129 . 13 1 1 A 107 107 LYS CA C 107 55.904 54.892 1.012 1 1 1130 . 13 1 1 A 107 107 LYS HA H 107 4.950 4.880 0.070 1 1 1131 . 13 1 1 A 107 107 LYS CB C 107 33.755 34.223 -0.468 1 1 1139 . 13 1 1 A 107 107 LYS C C 107 175.350 174.852 0.498 1 1 1144 . 13 1 1 A 108 108 VAL N N 108 128.726 127.982 0.744 1 1 1145 . 13 1 1 A 108 108 VAL H H 108 9.373 9.225 0.148 1 1 1146 . 13 1 1 A 108 108 VAL CA C 108 60.804 62.061 -1.257 1 1 1147 . 13 1 1 A 108 108 VAL HA H 108 4.851 4.696 0.155 1 1 1148 . 13 1 1 A 108 108 VAL CB C 108 33.175 31.654 1.521 1 1 1158 . 13 1 1 A 108 108 VAL C C 108 177.017 175.699 1.318 1 1 1159 . 13 1 1 A 109 109 THR N N 109 121.067 117.716 3.351 1 1 1160 . 13 1 1 A 109 109 THR H H 109 8.527 8.427 0.100 1 1 1161 . 13 1 1 A 109 109 THR CA C 109 60.138 59.585 0.553 1 1 1162 . 13 1 1 A 109 109 THR HA H 109 4.864 5.107 -0.243 1 1 1163 . 13 1 1 A 109 109 THR CB C 109 70.960 71.572 -0.612 1 1 1169 . 13 1 1 A 109 109 THR C C 109 173.130 173.499 -0.369 1 1 1170 . 13 1 1 A 110 110 GLY N N 110 106.893 108.899 -2.006 1 1 1171 . 13 1 1 A 110 110 GLY H H 110 8.404 8.398 0.006 1 1 1172 . 13 1 1 A 110 110 GLY CA C 110 43.888 45.205 -1.317 1 1 1173 . 13 1 1 A 110 110 GLY HA3 H 110 3.851 4.161 -0.310 1 1 1174 . 13 1 1 A 110 110 GLY C C 110 173.870 173.386 0.484 1 1 1175 . 13 1 1 A 110 110 GLY HA2 H 110 4.773 4.159 0.614 1 1 1176 . 13 1 1 A 111 111 GLN N N 111 116.999 121.637 -4.638 1 1 1177 . 13 1 1 A 111 111 GLN H H 111 8.234 8.305 -0.071 1 1 1178 . 13 1 1 A 111 111 GLN CA C 111 55.230 56.229 -0.999 1 1 1179 . 13 1 1 A 111 111 GLN HA H 111 4.269 4.263 0.006 1 1 1180 . 13 1 1 A 111 111 GLN CB C 111 30.118 28.805 1.313 1 1 1187 . 13 1 1 A 111 111 GLN C C 111 176.550 175.230 1.320 1 1 1190 . 13 1 1 A 112 112 ARG N N 112 122.131 125.423 -3.292 1 1 1191 . 13 1 1 A 112 112 ARG H H 112 8.832 8.072 0.760 1 1 1192 . 13 1 1 A 112 112 ARG CA C 112 57.384 57.105 0.279 1 1 1193 . 13 1 1 A 112 112 ARG HA H 112 4.300 4.211 0.089 1 1 1194 . 13 1 1 A 112 112 ARG CB C 112 30.059 30.744 -0.685 1 1 1200 . 13 1 1 A 112 112 ARG C C 112 175.836 176.360 -0.524 1 1 1204 . 13 1 1 A 113 113 LEU N N 113 126.764 127.142 -0.378 1 1 1205 . 13 1 1 A 113 113 LEU H H 113 8.424 8.742 -0.318 1 1 1206 . 13 1 1 A 113 113 LEU CA C 113 54.919 54.988 -0.069 1 1 1207 . 13 1 1 A 113 113 LEU HA H 113 4.517 4.430 0.087 1 1 1208 . 13 1 1 A 113 113 LEU CB C 113 42.706 42.177 0.529 1 1 1220 . 13 1 1 A 113 113 LEU C C 113 176.521 177.187 -0.666 1 1 1222 . 13 1 1 A 116 116 PRO CA C 116 63.729 64.551 -0.822 1 1 1223 . 13 1 1 A 116 116 PRO HA H 116 4.436 4.414 0.022 1 1 1224 . 13 1 1 A 116 116 PRO CB C 116 32.182 32.141 0.041 1 1 1233 . 13 1 1 A 117 117 GLY N N 117 110.092 104.645 5.447 1 1 1234 . 13 1 1 A 117 117 GLY H H 117 8.493 7.458 1.035 1 1 1235 . 13 1 1 A 118 118 SER CA C 118 58.420 57.510 0.910 1 1 1236 . 13 1 1 A 118 118 SER HA H 118 4.454 5.083 -0.629 1 1 1237 . 13 1 1 A 118 118 SER CB C 118 64.014 67.127 -3.113 1 1 1239 . 13 1 1 A 118 118 SER C C 118 174.495 172.522 1.973 1 1 1241 . 13 1 1 A 119 119 ALA N N 119 125.244 123.899 1.345 1 1 1242 . 13 1 1 A 119 119 ALA H H 119 8.365 8.475 -0.110 1 1 1243 . 13 1 1 A 119 119 ALA CA C 119 52.697 51.762 0.935 1 1 1244 . 13 1 1 A 119 119 ALA HA H 119 4.333 4.963 -0.630 1 1 1245 . 13 1 1 A 119 119 ALA CB C 119 19.378 20.636 -1.258 1 1 1249 . 13 1 1 A 119 119 ALA C C 119 177.362 176.004 1.358 1 1 1250 . 13 1 1 A 120 120 ASN N N 120 117.122 119.901 -2.779 1 1 1251 . 13 1 1 A 120 120 ASN H H 120 8.311 9.102 -0.791 1 1 1252 . 13 1 1 A 120 120 ASN CA C 120 53.198 51.639 1.559 1 1 1253 . 13 1 1 A 120 120 ASN HA H 120 4.659 5.674 -1.015 1 1 1254 . 13 1 1 A 120 120 ASN CB C 120 38.852 41.225 -2.373 1 1 1259 . 13 1 1 A 120 120 ASN C C 120 175.112 173.708 1.404 1 1 1261 . 13 1 1 A 122 122 THR CA C 122 61.947 59.832 2.115 1 1 1262 . 13 1 1 A 122 122 THR HA H 122 4.197 5.182 -0.985 1 1 1263 . 13 1 1 A 122 122 THR CB C 122 69.949 71.396 -1.447 1 1 1 . 14 1 1 A 9 9 LYS N N 9 120.806 119.760 1.046 1 1 2 . 14 1 1 A 9 9 LYS H H 9 8.548 8.749 -0.201 1 1 3 . 14 1 1 A 9 9 LYS CA C 9 56.358 55.143 1.215 1 1 4 . 14 1 1 A 9 9 LYS HA H 9 4.261 4.785 -0.524 1 1 5 . 14 1 1 A 9 9 LYS CB C 9 32.673 33.158 -0.485 1 1 17 . 14 1 1 A 10 10 VAL HA H 10 4.307 4.670 -0.363 1 1 18 . 14 1 1 A 10 10 VAL CB C 10 34.845 34.462 0.383 1 1 24 . 14 1 1 A 11 11 ARG N N 11 125.757 127.006 -1.249 1 1 25 . 14 1 1 A 11 11 ARG H H 11 8.546 8.738 -0.192 1 1 26 . 14 1 1 A 11 11 ARG CA C 11 55.966 55.425 0.541 1 1 27 . 14 1 1 A 11 11 ARG HA H 11 4.463 5.055 -0.592 1 1 28 . 14 1 1 A 11 11 ARG CB C 11 30.834 32.417 -1.583 1 1 37 . 14 1 1 A 12 12 VAL CA C 12 62.370 59.832 2.538 1 1 38 . 14 1 1 A 12 12 VAL HA H 12 4.205 4.940 -0.735 1 1 39 . 14 1 1 A 12 12 VAL CB C 12 32.571 35.265 -2.694 1 1 48 . 14 1 1 A 13 13 GLY N N 13 113.294 112.829 0.465 1 1 49 . 14 1 1 A 13 13 GLY H H 13 8.608 8.370 0.238 1 1 50 . 14 1 1 A 13 13 GLY CA C 13 44.973 46.007 -1.034 1 1 51 . 14 1 1 A 13 13 GLY HA3 H 13 4.024 4.235 -0.211 1 1 52 . 14 1 1 A 13 13 GLY HA2 H 13 3.891 4.235 -0.344 1 1 53 . 14 1 1 A 14 14 GLU N N 14 120.644 122.172 -1.528 1 1 54 . 14 1 1 A 14 14 GLU H H 14 8.139 8.426 -0.287 1 1 55 . 14 1 1 A 14 14 GLU CA C 14 54.101 53.292 0.809 1 1 56 . 14 1 1 A 14 14 GLU HA H 14 4.626 4.774 -0.148 1 1 57 . 14 1 1 A 14 14 GLU CB C 14 30.026 30.443 -0.417 1 1 63 . 14 1 1 A 15 15 PRO CA C 15 63.731 65.039 -1.308 1 1 64 . 14 1 1 A 15 15 PRO HA H 15 4.319 4.409 -0.090 1 1 65 . 14 1 1 A 15 15 PRO CB C 15 31.974 31.991 -0.017 1 1 71 . 14 1 1 A 15 15 PRO C C 15 177.450 176.691 0.759 1 1 75 . 14 1 1 A 16 16 GLY N N 16 109.768 105.234 4.534 1 1 76 . 14 1 1 A 16 16 GLY H H 16 8.577 8.055 0.522 1 1 77 . 14 1 1 A 16 16 GLY CA C 16 45.424 44.554 0.870 1 1 78 . 14 1 1 A 16 16 GLY HA3 H 16 3.804 4.119 -0.315 1 1 79 . 14 1 1 A 16 16 GLY C C 16 174.160 172.411 1.749 1 1 80 . 14 1 1 A 16 16 GLY HA2 H 16 4.086 4.119 -0.033 1 1 81 . 14 1 1 A 17 17 GLN N N 17 119.726 123.712 -3.986 1 1 82 . 14 1 1 A 17 17 GLN H H 17 7.868 8.752 -0.884 1 1 83 . 14 1 1 A 17 17 GLN CA C 17 55.403 55.622 -0.219 1 1 84 . 14 1 1 A 17 17 GLN HA H 17 4.389 4.641 -0.252 1 1 85 . 14 1 1 A 17 17 GLN CB C 17 29.894 29.587 0.307 1 1 92 . 14 1 1 A 17 17 GLN C C 17 175.290 175.038 0.252 1 1 95 . 14 1 1 A 18 18 ALA N N 18 125.593 127.713 -2.120 1 1 96 . 14 1 1 A 18 18 ALA H H 18 8.469 8.811 -0.342 1 1 97 . 14 1 1 A 18 18 ALA CA C 18 52.389 50.974 1.415 1 1 98 . 14 1 1 A 18 18 ALA HA H 18 4.448 4.836 -0.388 1 1 99 . 14 1 1 A 18 18 ALA CB C 18 19.959 19.809 0.150 1 1 103 . 14 1 1 A 18 18 ALA C C 18 177.464 177.728 -0.264 1 1 104 . 14 1 1 A 19 19 GLY N N 19 109.162 110.719 -1.557 1 1 105 . 14 1 1 A 19 19 GLY H H 19 8.294 8.674 -0.380 1 1 106 . 14 1 1 A 19 19 GLY CA C 19 45.270 45.490 -0.220 1 1 107 . 14 1 1 A 19 19 GLY HA3 H 19 3.853 4.218 -0.365 1 1 108 . 14 1 1 A 19 19 GLY C C 19 173.012 172.567 0.445 1 1 109 . 14 1 1 A 19 19 GLY HA2 H 19 4.207 4.093 0.114 1 1 110 . 14 1 1 A 20 20 ASN N N 20 118.861 119.436 -0.575 1 1 111 . 14 1 1 A 20 20 ASN H H 20 8.479 8.460 0.019 1 1 112 . 14 1 1 A 20 20 ASN CA C 20 50.128 49.459 0.669 1 1 113 . 14 1 1 A 20 20 ASN HA H 20 5.236 5.252 -0.016 1 1 114 . 14 1 1 A 20 20 ASN CB C 20 39.697 41.347 -1.650 1 1 119 . 14 1 1 A 20 20 ASN C C 20 174.482 174.658 -0.176 1 1 121 . 14 1 1 A 21 21 PRO CA C 21 64.588 65.734 -1.146 1 1 122 . 14 1 1 A 21 21 PRO HA H 21 4.312 4.212 0.100 1 1 123 . 14 1 1 A 21 21 PRO CB C 21 31.950 31.791 0.159 1 1 129 . 14 1 1 A 21 21 PRO C C 21 177.141 178.711 -1.570 1 1 133 . 14 1 1 A 22 22 ALA N N 22 118.898 118.698 0.200 1 1 134 . 14 1 1 A 22 22 ALA H H 22 7.918 8.277 -0.359 1 1 135 . 14 1 1 A 22 22 ALA CA C 22 53.499 55.407 -1.908 1 1 136 . 14 1 1 A 22 22 ALA HA H 22 4.386 4.038 0.348 1 1 137 . 14 1 1 A 22 22 ALA CB C 22 18.288 18.294 -0.006 1 1 141 . 14 1 1 A 22 22 ALA C C 22 178.115 180.278 -2.163 1 1 142 . 14 1 1 A 23 23 LEU N N 23 116.219 117.445 -1.226 1 1 143 . 14 1 1 A 23 23 LEU H H 23 7.696 7.989 -0.293 1 1 144 . 14 1 1 A 23 23 LEU CA C 23 53.851 58.093 -4.242 1 1 145 . 14 1 1 A 23 23 LEU HA H 23 4.475 3.972 0.503 1 1 146 . 14 1 1 A 23 23 LEU CB C 23 41.958 41.646 0.312 1 1 158 . 14 1 1 A 23 23 LEU C C 23 176.653 177.884 -1.231 1 1 160 . 14 1 1 A 24 24 VAL N N 24 122.233 119.747 2.486 1 1 161 . 14 1 1 A 24 24 VAL H H 24 7.207 7.326 -0.119 1 1 162 . 14 1 1 A 24 24 VAL CA C 24 62.768 63.639 -0.871 1 1 163 . 14 1 1 A 24 24 VAL HA H 24 4.081 3.906 0.175 1 1 164 . 14 1 1 A 24 24 VAL CB C 24 32.408 31.728 0.680 1 1 174 . 14 1 1 A 24 24 VAL C C 24 174.702 175.825 -1.123 1 1 175 . 14 1 1 A 25 25 SER N N 25 120.181 121.037 -0.856 1 1 176 . 14 1 1 A 25 25 SER H H 25 8.109 8.439 -0.330 1 1 177 . 14 1 1 A 25 25 SER CA C 25 56.489 57.388 -0.899 1 1 178 . 14 1 1 A 25 25 SER HA H 25 5.159 5.511 -0.352 1 1 179 . 14 1 1 A 25 25 SER CB C 25 66.443 66.680 -0.237 1 1 181 . 14 1 1 A 25 25 SER C C 25 172.102 172.950 -0.848 1 1 183 . 14 1 1 A 26 26 ALA N N 26 124.850 124.176 0.674 1 1 184 . 14 1 1 A 26 26 ALA H H 26 8.839 8.845 -0.006 1 1 185 . 14 1 1 A 26 26 ALA CA C 26 50.395 51.190 -0.795 1 1 186 . 14 1 1 A 26 26 ALA HA H 26 5.796 5.105 0.691 1 1 187 . 14 1 1 A 26 26 ALA CB C 26 22.868 22.260 0.608 1 1 191 . 14 1 1 A 26 26 ALA C C 26 175.694 175.496 0.198 1 1 192 . 14 1 1 A 27 27 TYR N N 27 117.541 118.036 -0.495 1 1 193 . 14 1 1 A 27 27 TYR H H 27 8.831 8.336 0.495 1 1 194 . 14 1 1 A 27 27 TYR CA C 27 56.610 55.812 0.798 1 1 195 . 14 1 1 A 27 27 TYR HA H 27 4.851 5.397 -0.546 1 1 196 . 14 1 1 A 27 27 TYR CB C 27 39.737 41.471 -1.734 1 1 206 . 14 1 1 A 27 27 TYR C C 27 173.299 173.950 -0.651 1 1 208 . 14 1 1 A 28 28 GLY N N 28 108.355 106.372 1.983 1 1 209 . 14 1 1 A 28 28 GLY H H 28 8.788 8.526 0.262 1 1 210 . 14 1 1 A 28 28 GLY CA C 28 44.056 46.126 -2.070 1 1 211 . 14 1 1 A 28 28 GLY HA3 H 28 4.304 4.450 -0.146 1 1 212 . 14 1 1 A 28 28 GLY C C 28 176.208 173.775 2.433 1 1 213 . 14 1 1 A 28 28 GLY HA2 H 28 5.047 4.314 0.733 1 1 214 . 14 1 1 A 29 29 THR N N 29 115.659 114.430 1.229 1 1 215 . 14 1 1 A 29 29 THR H H 29 9.027 7.896 1.131 1 1 216 . 14 1 1 A 29 29 THR CA C 29 65.419 62.787 2.632 1 1 217 . 14 1 1 A 29 29 THR HA H 29 4.171 4.672 -0.501 1 1 218 . 14 1 1 A 29 29 THR CB C 29 68.659 70.239 -1.580 1 1 224 . 14 1 1 A 29 29 THR C C 29 178.141 175.855 2.286 1 1 225 . 14 1 1 A 30 30 GLY N N 30 107.400 108.559 -1.159 1 1 226 . 14 1 1 A 30 30 GLY H H 30 8.747 8.428 0.319 1 1 227 . 14 1 1 A 30 30 GLY CA C 30 46.719 46.940 -0.221 1 1 228 . 14 1 1 A 30 30 GLY HA3 H 30 3.556 3.690 -0.134 1 1 229 . 14 1 1 A 30 30 GLY C C 30 173.896 175.612 -1.716 1 1 230 . 14 1 1 A 30 30 GLY HA2 H 30 4.483 3.679 0.804 1 1 231 . 14 1 1 A 31 31 LEU N N 31 118.075 122.841 -4.766 1 1 232 . 14 1 1 A 31 31 LEU H H 31 7.389 8.119 -0.730 1 1 233 . 14 1 1 A 31 31 LEU CA C 31 55.799 57.454 -1.655 1 1 234 . 14 1 1 A 31 31 LEU HA H 31 3.778 4.056 -0.278 1 1 235 . 14 1 1 A 31 31 LEU CB C 31 41.564 41.162 0.402 1 1 247 . 14 1 1 A 31 31 LEU C C 31 176.045 178.924 -2.879 1 1 249 . 14 1 1 A 32 32 GLU N N 32 112.872 117.427 -4.555 1 1 250 . 14 1 1 A 32 32 GLU H H 32 7.509 7.962 -0.453 1 1 251 . 14 1 1 A 32 32 GLU CA C 32 56.330 58.962 -2.632 1 1 252 . 14 1 1 A 32 32 GLU HA H 32 4.717 4.079 0.638 1 1 253 . 14 1 1 A 32 32 GLU CB C 32 31.924 30.216 1.708 1 1 257 . 14 1 1 A 32 32 GLU C C 32 177.958 176.801 1.157 1 1 260 . 14 1 1 A 33 33 GLY N N 33 107.880 104.324 3.556 1 1 261 . 14 1 1 A 33 33 GLY H H 33 7.822 7.393 0.429 1 1 262 . 14 1 1 A 33 33 GLY CA C 33 45.568 45.775 -0.207 1 1 263 . 14 1 1 A 33 33 GLY HA3 H 33 4.125 4.107 0.018 1 1 264 . 14 1 1 A 33 33 GLY C C 33 172.046 171.928 0.118 1 1 265 . 14 1 1 A 33 33 GLY HA2 H 33 4.661 4.096 0.565 1 1 266 . 14 1 1 A 34 34 GLY N N 34 105.841 108.866 -3.025 1 1 267 . 14 1 1 A 34 34 GLY H H 34 7.740 8.435 -0.695 1 1 268 . 14 1 1 A 34 34 GLY CA C 34 45.215 45.182 0.033 1 1 269 . 14 1 1 A 34 34 GLY HA3 H 34 3.988 4.243 -0.255 1 1 270 . 14 1 1 A 34 34 GLY C C 34 171.280 172.791 -1.511 1 1 271 . 14 1 1 A 34 34 GLY HA2 H 34 4.030 4.201 -0.171 1 1 272 . 14 1 1 A 35 35 THR N N 35 119.173 116.363 2.810 1 1 273 . 14 1 1 A 35 35 THR H H 35 9.363 8.716 0.647 1 1 274 . 14 1 1 A 35 35 THR CA C 35 60.844 60.768 0.076 1 1 275 . 14 1 1 A 35 35 THR HA H 35 5.177 5.020 0.157 1 1 276 . 14 1 1 A 35 35 THR CB C 35 72.095 70.174 1.921 1 1 282 . 14 1 1 A 35 35 THR C C 35 173.460 173.413 0.047 1 1 283 . 14 1 1 A 36 36 THR N N 36 116.864 122.043 -5.179 1 1 284 . 14 1 1 A 36 36 THR H H 36 8.425 8.696 -0.271 1 1 285 . 14 1 1 A 36 36 THR CA C 36 62.841 64.433 -1.592 1 1 286 . 14 1 1 A 36 36 THR HA H 36 3.701 4.633 -0.932 1 1 287 . 14 1 1 A 36 36 THR CB C 36 68.447 67.877 0.570 1 1 293 . 14 1 1 A 36 36 THR C C 36 175.396 175.532 -0.136 1 1 294 . 14 1 1 A 37 37 GLY N N 37 107.461 114.175 -6.714 1 1 295 . 14 1 1 A 37 37 GLY H H 37 8.548 8.694 -0.146 1 1 296 . 14 1 1 A 37 37 GLY CA C 37 45.434 45.177 0.257 1 1 297 . 14 1 1 A 37 37 GLY HA3 H 37 3.386 4.020 -0.634 1 1 298 . 14 1 1 A 37 37 GLY C C 37 172.598 174.488 -1.890 1 1 299 . 14 1 1 A 37 37 GLY HA2 H 37 4.024 4.019 0.005 1 1 300 . 14 1 1 A 38 38 ILE N N 38 122.313 121.564 0.749 1 1 301 . 14 1 1 A 38 38 ILE H H 38 7.871 8.029 -0.158 1 1 302 . 14 1 1 A 38 38 ILE CA C 38 58.566 59.875 -1.309 1 1 303 . 14 1 1 A 38 38 ILE HA H 38 4.274 4.582 -0.308 1 1 304 . 14 1 1 A 38 38 ILE CB C 38 38.476 40.053 -1.577 1 1 316 . 14 1 1 A 38 38 ILE C C 38 175.081 174.524 0.557 1 1 318 . 14 1 1 A 39 39 GLN N N 39 127.942 124.233 3.709 1 1 319 . 14 1 1 A 39 39 GLN H H 39 8.487 8.745 -0.258 1 1 320 . 14 1 1 A 39 39 GLN CA C 39 57.394 53.837 3.557 1 1 321 . 14 1 1 A 39 39 GLN HA H 39 4.312 5.206 -0.894 1 1 322 . 14 1 1 A 39 39 GLN CB C 39 31.057 32.578 -1.521 1 1 329 . 14 1 1 A 39 39 GLN C C 39 176.011 174.579 1.432 1 1 332 . 14 1 1 A 40 40 SER N N 40 125.784 123.822 1.962 1 1 333 . 14 1 1 A 40 40 SER H H 40 9.167 8.635 0.532 1 1 334 . 14 1 1 A 40 40 SER CA C 40 58.188 57.023 1.165 1 1 335 . 14 1 1 A 40 40 SER HA H 40 4.633 5.189 -0.556 1 1 336 . 14 1 1 A 40 40 SER CB C 40 66.149 65.901 0.248 1 1 338 . 14 1 1 A 40 40 SER C C 40 172.625 172.859 -0.234 1 1 340 . 14 1 1 A 41 41 GLU N N 41 117.679 119.315 -1.636 1 1 341 . 14 1 1 A 41 41 GLU H H 41 8.773 9.041 -0.268 1 1 342 . 14 1 1 A 41 41 GLU CA C 41 54.060 54.468 -0.408 1 1 343 . 14 1 1 A 41 41 GLU HA H 41 5.629 4.958 0.671 1 1 344 . 14 1 1 A 41 41 GLU CB C 41 34.053 32.777 1.276 1 1 348 . 14 1 1 A 41 41 GLU C C 41 175.607 175.065 0.542 1 1 351 . 14 1 1 A 42 42 PHE N N 42 116.557 118.089 -1.532 1 1 352 . 14 1 1 A 42 42 PHE H H 42 8.753 7.976 0.777 1 1 353 . 14 1 1 A 42 42 PHE CA C 42 56.847 55.099 1.748 1 1 354 . 14 1 1 A 42 42 PHE HA H 42 4.743 5.401 -0.658 1 1 355 . 14 1 1 A 42 42 PHE CB C 42 40.908 41.792 -0.884 1 1 367 . 14 1 1 A 42 42 PHE C C 42 170.204 173.469 -3.265 1 1 369 . 14 1 1 A 43 43 PHE N N 43 118.643 121.407 -2.764 1 1 370 . 14 1 1 A 43 43 PHE H H 43 9.234 8.314 0.920 1 1 371 . 14 1 1 A 43 43 PHE CA C 43 57.292 57.240 0.052 1 1 372 . 14 1 1 A 43 43 PHE HA H 43 5.041 4.838 0.203 1 1 373 . 14 1 1 A 43 43 PHE CB C 43 42.583 41.036 1.547 1 1 385 . 14 1 1 A 43 43 PHE C C 43 174.177 175.303 -1.126 1 1 387 . 14 1 1 A 44 44 ILE N N 44 120.124 120.705 -0.581 1 1 388 . 14 1 1 A 44 44 ILE H H 44 8.876 8.569 0.307 1 1 389 . 14 1 1 A 44 44 ILE CA C 44 59.698 60.306 -0.608 1 1 390 . 14 1 1 A 44 44 ILE HA H 44 4.717 4.701 0.016 1 1 391 . 14 1 1 A 44 44 ILE CB C 44 40.591 39.614 0.977 1 1 403 . 14 1 1 A 44 44 ILE C C 44 174.483 175.146 -0.663 1 1 405 . 14 1 1 A 45 45 ASN N N 45 127.058 126.573 0.485 1 1 406 . 14 1 1 A 45 45 ASN H H 45 9.553 8.525 1.028 1 1 407 . 14 1 1 A 45 45 ASN CA C 45 52.099 52.749 -0.650 1 1 408 . 14 1 1 A 45 45 ASN HA H 45 5.380 4.809 0.571 1 1 409 . 14 1 1 A 45 45 ASN CB C 45 39.596 38.053 1.543 1 1 414 . 14 1 1 A 45 45 ASN C C 45 176.821 175.526 1.295 1 1 416 . 14 1 1 A 46 46 THR H H 46 9.223 8.167 1.056 1 1 417 . 14 1 1 A 46 46 THR CA C 46 61.534 60.892 0.642 1 1 418 . 14 1 1 A 46 46 THR HA H 46 4.368 4.693 -0.325 1 1 419 . 14 1 1 A 46 46 THR CB C 46 68.352 68.642 -0.290 1 1 425 . 14 1 1 A 46 46 THR C C 46 176.816 175.357 1.459 1 1 426 . 14 1 1 A 47 47 THR N N 47 116.732 116.130 0.602 1 1 427 . 14 1 1 A 47 47 THR H H 47 8.368 8.052 0.316 1 1 428 . 14 1 1 A 47 47 THR CA C 47 65.916 65.021 0.895 1 1 429 . 14 1 1 A 47 47 THR HA H 47 4.032 4.102 -0.070 1 1 430 . 14 1 1 A 47 47 THR CB C 47 69.870 68.857 1.013 1 1 436 . 14 1 1 A 47 47 THR C C 47 176.865 177.190 -0.325 1 1 437 . 14 1 1 A 48 48 ARG N N 48 119.205 121.025 -1.820 1 1 438 . 14 1 1 A 48 48 ARG H H 48 8.785 7.803 0.982 1 1 439 . 14 1 1 A 48 48 ARG CA C 48 56.273 58.479 -2.206 1 1 440 . 14 1 1 A 48 48 ARG HA H 48 4.488 4.166 0.322 1 1 441 . 14 1 1 A 48 48 ARG CB C 48 30.862 29.839 1.023 1 1 447 . 14 1 1 A 48 48 ARG C C 48 176.314 178.148 -1.834 1 1 451 . 14 1 1 A 49 49 ALA N N 49 120.807 119.897 0.910 1 1 452 . 14 1 1 A 49 49 ALA H H 49 7.440 7.686 -0.246 1 1 453 . 14 1 1 A 49 49 ALA CA C 49 53.138 52.923 0.215 1 1 454 . 14 1 1 A 49 49 ALA HA H 49 4.341 4.153 0.188 1 1 455 . 14 1 1 A 49 49 ALA CB C 49 22.427 19.429 2.998 1 1 459 . 14 1 1 A 49 49 ALA C C 49 177.914 178.242 -0.328 1 1 460 . 14 1 1 A 50 50 GLY N N 50 105.941 104.176 1.765 1 1 461 . 14 1 1 A 50 50 GLY H H 50 7.924 7.462 0.462 1 1 462 . 14 1 1 A 50 50 GLY CA C 50 44.229 44.498 -0.269 1 1 463 . 14 1 1 A 50 50 GLY HA3 H 50 4.325 4.148 0.177 1 1 464 . 14 1 1 A 50 50 GLY C C 50 171.089 173.255 -2.166 1 1 465 . 14 1 1 A 50 50 GLY HA2 H 50 3.948 4.106 -0.158 1 1 466 . 14 1 1 A 51 51 PRO CA C 51 63.140 63.031 0.109 1 1 467 . 14 1 1 A 51 51 PRO HA H 51 4.588 4.550 0.038 1 1 468 . 14 1 1 A 51 51 PRO CB C 51 33.004 33.273 -0.269 1 1 477 . 14 1 1 A 52 52 GLY CA C 52 45.195 45.395 -0.200 1 1 478 . 14 1 1 A 52 52 GLY HA3 H 52 3.275 4.124 -0.849 1 1 479 . 14 1 1 A 52 52 GLY HA2 H 52 3.852 3.973 -0.121 1 1 480 . 14 1 1 A 53 53 THR N N 53 114.003 116.646 -2.643 1 1 481 . 14 1 1 A 53 53 THR H H 53 8.049 8.450 -0.401 1 1 482 . 14 1 1 A 53 53 THR CA C 53 62.352 63.087 -0.735 1 1 483 . 14 1 1 A 53 53 THR HA H 53 4.436 4.511 -0.075 1 1 484 . 14 1 1 A 53 53 THR CB C 53 69.631 69.693 -0.062 1 1 490 . 14 1 1 A 54 54 LEU CA C 54 53.891 53.494 0.397 1 1 491 . 14 1 1 A 54 54 LEU HA H 54 5.077 5.136 -0.059 1 1 492 . 14 1 1 A 54 54 LEU CB C 54 44.515 45.651 -1.136 1 1 503 . 14 1 1 A 55 55 SER N N 55 120.726 122.272 -1.546 1 1 504 . 14 1 1 A 55 55 SER H H 55 8.783 8.723 0.060 1 1 505 . 14 1 1 A 55 55 SER CA C 55 56.249 56.718 -0.469 1 1 506 . 14 1 1 A 55 55 SER HA H 55 5.092 5.043 0.049 1 1 507 . 14 1 1 A 55 55 SER CB C 55 65.032 64.385 0.647 1 1 509 . 14 1 1 A 55 55 SER C C 55 173.165 173.361 -0.196 1 1 511 . 14 1 1 A 56 56 VAL N N 56 126.234 128.397 -2.163 1 1 512 . 14 1 1 A 56 56 VAL H H 56 8.336 8.951 -0.615 1 1 513 . 14 1 1 A 56 56 VAL CA C 56 60.515 60.851 -0.336 1 1 514 . 14 1 1 A 56 56 VAL HA H 56 5.134 5.019 0.115 1 1 515 . 14 1 1 A 56 56 VAL CB C 56 34.463 34.068 0.395 1 1 520 . 14 1 1 A 56 56 VAL C C 56 174.718 174.789 -0.071 1 1 521 . 14 1 1 A 57 57 THR N N 57 120.539 122.731 -2.192 1 1 522 . 14 1 1 A 57 57 THR H H 57 8.828 8.720 0.108 1 1 523 . 14 1 1 A 57 57 THR CA C 57 60.580 61.849 -1.269 1 1 524 . 14 1 1 A 57 57 THR HA H 57 5.132 4.968 0.164 1 1 525 . 14 1 1 A 57 57 THR CB C 57 72.187 71.410 0.777 1 1 531 . 14 1 1 A 57 57 THR C C 57 172.970 172.827 0.143 1 1 532 . 14 1 1 A 58 58 ILE N N 58 123.949 128.615 -4.666 1 1 533 . 14 1 1 A 58 58 ILE H H 58 9.249 9.128 0.121 1 1 534 . 14 1 1 A 58 58 ILE CA C 58 61.297 59.913 1.384 1 1 535 . 14 1 1 A 58 58 ILE HA H 58 5.001 5.133 -0.132 1 1 536 . 14 1 1 A 58 58 ILE CB C 58 39.755 39.962 -0.207 1 1 548 . 14 1 1 A 58 58 ILE C C 58 174.848 175.160 -0.312 1 1 550 . 14 1 1 A 59 59 GLU N N 59 129.027 123.656 5.371 1 1 551 . 14 1 1 A 59 59 GLU H H 59 8.966 8.979 -0.013 1 1 552 . 14 1 1 A 59 59 GLU CA C 59 53.911 54.781 -0.870 1 1 553 . 14 1 1 A 59 59 GLU HA H 59 5.427 5.181 0.246 1 1 554 . 14 1 1 A 59 59 GLU CB C 59 33.843 33.276 0.567 1 1 558 . 14 1 1 A 59 59 GLU C C 59 175.342 175.920 -0.578 1 1 561 . 14 1 1 A 60 60 GLY N N 60 110.765 109.350 1.415 1 1 562 . 14 1 1 A 60 60 GLY H H 60 8.597 8.241 0.356 1 1 563 . 14 1 1 A 60 60 GLY CA C 60 45.997 44.802 1.195 1 1 564 . 14 1 1 A 60 60 GLY HA3 H 60 3.908 3.847 0.061 1 1 565 . 14 1 1 A 60 60 GLY C C 60 171.205 174.042 -2.837 1 1 566 . 14 1 1 A 60 60 GLY HA2 H 60 3.685 3.481 0.204 1 1 567 . 14 1 1 A 61 61 PRO CA C 61 64.057 64.413 -0.356 1 1 568 . 14 1 1 A 61 61 PRO HA H 61 4.415 4.329 0.086 1 1 569 . 14 1 1 A 61 61 PRO CB C 61 32.143 32.060 0.083 1 1 575 . 14 1 1 A 61 61 PRO C C 61 175.925 176.297 -0.372 1 1 579 . 14 1 1 A 62 62 SER N N 62 108.413 114.243 -5.830 1 1 580 . 14 1 1 A 62 62 SER H H 62 7.144 7.843 -0.699 1 1 581 . 14 1 1 A 62 62 SER CA C 62 57.037 57.898 -0.861 1 1 582 . 14 1 1 A 62 62 SER HA H 62 4.596 4.883 -0.287 1 1 583 . 14 1 1 A 62 62 SER CB C 62 66.522 65.417 1.105 1 1 585 . 14 1 1 A 62 62 SER C C 62 172.446 173.638 -1.192 1 1 587 . 14 1 1 A 63 63 LYS N N 63 122.539 124.690 -2.151 1 1 588 . 14 1 1 A 63 63 LYS H H 63 8.620 8.360 0.260 1 1 589 . 14 1 1 A 63 63 LYS CA C 63 56.407 56.065 0.342 1 1 590 . 14 1 1 A 63 63 LYS HA H 63 4.267 4.629 -0.362 1 1 591 . 14 1 1 A 63 63 LYS CB C 63 32.576 32.860 -0.284 1 1 596 . 14 1 1 A 63 63 LYS C C 63 176.658 176.644 0.014 1 1 601 . 14 1 1 A 64 64 VAL N N 64 120.278 123.658 -3.380 1 1 602 . 14 1 1 A 64 64 VAL H H 64 8.554 8.508 0.046 1 1 603 . 14 1 1 A 64 64 VAL CA C 64 60.425 61.784 -1.359 1 1 604 . 14 1 1 A 64 64 VAL HA H 64 4.460 4.341 0.119 1 1 605 . 14 1 1 A 64 64 VAL CB C 64 32.938 33.022 -0.084 1 1 615 . 14 1 1 A 64 64 VAL C C 64 176.629 175.481 1.148 1 1 616 . 14 1 1 A 65 65 LYS N N 65 121.529 122.588 -1.059 1 1 617 . 14 1 1 A 65 65 LYS H H 65 8.139 8.415 -0.276 1 1 618 . 14 1 1 A 65 65 LYS CA C 65 56.181 55.757 0.424 1 1 619 . 14 1 1 A 65 65 LYS HA H 65 4.474 4.591 -0.117 1 1 620 . 14 1 1 A 65 65 LYS CB C 65 32.960 32.463 0.497 1 1 627 . 14 1 1 A 65 65 LYS C C 65 176.309 175.297 1.012 1 1 632 . 14 1 1 A 66 66 MET N N 66 125.382 124.642 0.740 1 1 633 . 14 1 1 A 66 66 MET H H 66 8.811 8.574 0.237 1 1 634 . 14 1 1 A 66 66 MET CA C 66 55.055 54.131 0.924 1 1 635 . 14 1 1 A 66 66 MET HA H 66 5.393 5.063 0.330 1 1 636 . 14 1 1 A 66 66 MET CB C 66 37.398 32.817 4.581 1 1 644 . 14 1 1 A 66 66 MET C C 66 174.026 175.132 -1.106 1 1 647 . 14 1 1 A 67 67 ASP N N 67 122.714 124.120 -1.406 1 1 648 . 14 1 1 A 67 67 ASP H H 67 8.995 8.774 0.221 1 1 649 . 14 1 1 A 67 67 ASP CA C 67 53.231 52.870 0.361 1 1 650 . 14 1 1 A 67 67 ASP HA H 67 4.854 5.198 -0.344 1 1 651 . 14 1 1 A 67 67 ASP CB C 67 44.980 43.093 1.887 1 1 654 . 14 1 1 A 68 68 CYS H H 68 8.412 8.745 -0.333 1 1 655 . 14 1 1 A 68 68 CYS CA C 68 56.390 58.966 -2.576 1 1 656 . 14 1 1 A 68 68 CYS HA H 68 5.288 4.630 0.658 1 1 657 . 14 1 1 A 68 68 CYS CB C 68 28.188 28.707 -0.519 1 1 660 . 14 1 1 A 69 69 GLN N N 69 125.044 121.566 3.478 1 1 661 . 14 1 1 A 69 69 GLN H H 69 9.116 8.472 0.644 1 1 662 . 14 1 1 A 69 69 GLN CA C 69 56.403 55.734 0.669 1 1 663 . 14 1 1 A 69 69 GLN HA H 69 5.290 4.604 0.686 1 1 664 . 14 1 1 A 69 69 GLN CB C 69 32.962 31.415 1.547 1 1 671 . 14 1 1 A 70 70 GLU N N 70 125.781 124.869 0.912 1 1 672 . 14 1 1 A 70 70 GLU H H 70 8.979 8.790 0.189 1 1 673 . 14 1 1 A 70 70 GLU CA C 70 56.418 56.566 -0.148 1 1 674 . 14 1 1 A 70 70 GLU HA H 70 4.029 4.419 -0.390 1 1 675 . 14 1 1 A 70 70 GLU CB C 70 30.585 30.169 0.416 1 1 681 . 14 1 1 A 71 71 THR N N 71 118.158 111.143 7.015 1 1 682 . 14 1 1 A 71 71 THR H H 71 8.455 8.090 0.365 1 1 683 . 14 1 1 A 71 71 THR CA C 71 59.209 58.639 0.570 1 1 684 . 14 1 1 A 71 71 THR HA H 71 4.902 4.894 0.008 1 1 685 . 14 1 1 A 71 71 THR CB C 71 68.926 70.838 -1.912 1 1 691 . 14 1 1 A 72 72 PRO CA C 72 65.290 64.514 0.776 1 1 692 . 14 1 1 A 72 72 PRO HA H 72 4.296 4.443 -0.147 1 1 693 . 14 1 1 A 72 72 PRO CB C 72 31.848 31.787 0.061 1 1 699 . 14 1 1 A 72 72 PRO C C 72 177.476 177.865 -0.389 1 1 703 . 14 1 1 A 73 73 GLU N N 73 112.293 117.981 -5.688 1 1 704 . 14 1 1 A 73 73 GLU H H 73 7.562 8.386 -0.824 1 1 705 . 14 1 1 A 73 73 GLU CA C 73 55.577 58.278 -2.701 1 1 706 . 14 1 1 A 73 73 GLU HA H 73 4.370 4.209 0.161 1 1 707 . 14 1 1 A 73 73 GLU CB C 73 30.787 31.004 -0.217 1 1 711 . 14 1 1 A 73 73 GLU C C 73 174.438 176.155 -1.717 1 1 714 . 14 1 1 A 74 74 GLY N N 74 109.223 106.671 2.552 1 1 715 . 14 1 1 A 74 74 GLY H H 74 7.324 6.966 0.358 1 1 716 . 14 1 1 A 74 74 GLY CA C 74 47.146 46.003 1.143 1 1 717 . 14 1 1 A 74 74 GLY HA3 H 74 3.551 3.925 -0.374 1 1 718 . 14 1 1 A 74 74 GLY C C 74 172.589 171.104 1.485 1 1 719 . 14 1 1 A 74 74 GLY HA2 H 74 4.949 3.769 1.180 1 1 720 . 14 1 1 A 75 75 TYR N N 75 123.117 120.749 2.368 1 1 721 . 14 1 1 A 75 75 TYR H H 75 8.883 8.416 0.467 1 1 722 . 14 1 1 A 75 75 TYR CA C 75 57.566 56.690 0.876 1 1 723 . 14 1 1 A 75 75 TYR HA H 75 5.171 5.195 -0.024 1 1 724 . 14 1 1 A 75 75 TYR CB C 75 44.111 40.751 3.360 1 1 734 . 14 1 1 A 75 75 TYR C C 75 173.925 174.137 -0.212 1 1 736 . 14 1 1 A 76 76 LYS N N 76 124.633 125.835 -1.202 1 1 737 . 14 1 1 A 76 76 LYS H H 76 9.390 9.038 0.352 1 1 738 . 14 1 1 A 76 76 LYS CA C 76 55.055 55.205 -0.150 1 1 739 . 14 1 1 A 76 76 LYS HA H 76 4.594 4.747 -0.153 1 1 740 . 14 1 1 A 76 76 LYS CB C 76 35.124 34.757 0.367 1 1 748 . 14 1 1 A 76 76 LYS C C 76 174.069 174.833 -0.764 1 1 753 . 14 1 1 A 77 77 VAL N N 77 126.947 125.891 1.056 1 1 754 . 14 1 1 A 77 77 VAL H H 77 8.607 7.854 0.753 1 1 755 . 14 1 1 A 77 77 VAL CA C 77 60.894 60.345 0.549 1 1 756 . 14 1 1 A 77 77 VAL HA H 77 4.280 4.727 -0.447 1 1 757 . 14 1 1 A 77 77 VAL CB C 77 32.115 34.680 -2.565 1 1 767 . 14 1 1 A 77 77 VAL C C 77 173.586 174.603 -1.017 1 1 768 . 14 1 1 A 78 78 MET N N 78 123.986 123.695 0.291 1 1 769 . 14 1 1 A 78 78 MET H H 78 8.410 8.561 -0.151 1 1 770 . 14 1 1 A 78 78 MET CA C 78 53.236 54.506 -1.270 1 1 771 . 14 1 1 A 78 78 MET HA H 78 5.290 4.964 0.326 1 1 772 . 14 1 1 A 78 78 MET CB C 78 36.873 37.115 -0.242 1 1 780 . 14 1 1 A 78 78 MET C C 78 174.665 174.320 0.345 1 1 783 . 14 1 1 A 79 79 TYR N N 79 117.488 119.141 -1.653 1 1 784 . 14 1 1 A 79 79 TYR H H 79 8.739 8.706 0.033 1 1 785 . 14 1 1 A 79 79 TYR CA C 79 56.011 56.243 -0.232 1 1 786 . 14 1 1 A 79 79 TYR HA H 79 5.654 5.394 0.260 1 1 787 . 14 1 1 A 79 79 TYR CB C 79 41.549 41.697 -0.148 1 1 797 . 14 1 1 A 79 79 TYR C C 79 172.927 173.154 -0.227 1 1 799 . 14 1 1 A 80 80 THR H H 80 8.383 8.896 -0.513 1 1 800 . 14 1 1 A 80 80 THR CA C 80 58.611 59.039 -0.428 1 1 801 . 14 1 1 A 80 80 THR HA H 80 4.978 4.795 0.183 1 1 802 . 14 1 1 A 80 80 THR CB C 80 70.258 71.304 -1.046 1 1 808 . 14 1 1 A 81 81 PRO CA C 81 61.531 62.568 -1.037 1 1 809 . 14 1 1 A 81 81 PRO HA H 81 4.532 4.647 -0.115 1 1 810 . 14 1 1 A 81 81 PRO CB C 81 32.774 31.685 1.089 1 1 819 . 14 1 1 A 82 82 MET N N 82 117.590 123.147 -5.557 1 1 820 . 14 1 1 A 82 82 MET H H 82 8.299 8.790 -0.491 1 1 821 . 14 1 1 A 82 82 MET CA C 82 53.882 56.784 -2.902 1 1 822 . 14 1 1 A 82 82 MET HA H 82 4.851 4.528 0.323 1 1 823 . 14 1 1 A 82 82 MET CB C 82 33.337 33.740 -0.403 1 1 831 . 14 1 1 A 82 82 MET C C 82 174.339 175.950 -1.611 1 1 834 . 14 1 1 A 83 83 ALA N N 83 119.196 119.871 -0.675 1 1 835 . 14 1 1 A 83 83 ALA H H 83 7.076 7.851 -0.775 1 1 836 . 14 1 1 A 83 83 ALA CA C 83 49.425 49.529 -0.104 1 1 837 . 14 1 1 A 83 83 ALA HA H 83 4.791 4.736 0.055 1 1 838 . 14 1 1 A 83 83 ALA CB C 83 20.682 21.727 -1.045 1 1 842 . 14 1 1 A 83 83 ALA C C 83 174.364 174.648 -0.284 1 1 843 . 14 1 1 A 84 84 PRO CA C 84 62.540 63.359 -0.819 1 1 844 . 14 1 1 A 84 84 PRO HA H 84 4.244 4.573 -0.329 1 1 845 . 14 1 1 A 84 84 PRO CB C 84 32.615 33.312 -0.697 1 1 851 . 14 1 1 A 84 84 PRO C C 84 174.214 175.944 -1.730 1 1 855 . 14 1 1 A 85 85 GLY N N 85 105.436 108.133 -2.697 1 1 856 . 14 1 1 A 85 85 GLY H H 85 8.855 8.291 0.564 1 1 857 . 14 1 1 A 85 85 GLY CA C 85 44.156 45.061 -0.905 1 1 858 . 14 1 1 A 85 85 GLY HA3 H 85 3.761 4.261 -0.500 1 1 859 . 14 1 1 A 85 85 GLY C C 85 171.801 172.106 -0.305 1 1 860 . 14 1 1 A 85 85 GLY HA2 H 85 4.515 4.257 0.258 1 1 861 . 14 1 1 A 86 86 ASN N N 86 119.042 118.247 0.795 1 1 862 . 14 1 1 A 86 86 ASN H H 86 8.573 8.540 0.033 1 1 863 . 14 1 1 A 86 86 ASN CA C 86 52.499 51.909 0.590 1 1 864 . 14 1 1 A 86 86 ASN HA H 86 5.517 5.592 -0.075 1 1 865 . 14 1 1 A 86 86 ASN CB C 86 39.390 40.299 -0.909 1 1 870 . 14 1 1 A 86 86 ASN C C 86 174.453 173.602 0.851 1 1 872 . 14 1 1 A 87 87 TYR N N 87 122.992 123.410 -0.418 1 1 873 . 14 1 1 A 87 87 TYR H H 87 9.369 8.862 0.507 1 1 874 . 14 1 1 A 87 87 TYR CA C 87 56.366 56.397 -0.031 1 1 875 . 14 1 1 A 87 87 TYR HA H 87 5.140 5.506 -0.366 1 1 876 . 14 1 1 A 87 87 TYR CB C 87 40.267 41.237 -0.970 1 1 886 . 14 1 1 A 87 87 TYR C C 87 174.332 174.601 -0.269 1 1 888 . 14 1 1 A 88 88 LEU N N 88 124.720 123.327 1.393 1 1 889 . 14 1 1 A 88 88 LEU H H 88 9.306 8.916 0.390 1 1 890 . 14 1 1 A 88 88 LEU CA C 88 53.426 53.452 -0.026 1 1 891 . 14 1 1 A 88 88 LEU HA H 88 5.253 5.322 -0.069 1 1 892 . 14 1 1 A 88 88 LEU CB C 88 44.487 45.627 -1.140 1 1 904 . 14 1 1 A 88 88 LEU C C 88 177.074 174.523 2.551 1 1 906 . 14 1 1 A 89 89 ILE N N 89 130.469 127.387 3.082 1 1 907 . 14 1 1 A 89 89 ILE H H 89 9.807 8.999 0.808 1 1 908 . 14 1 1 A 89 89 ILE CA C 89 60.792 60.234 0.558 1 1 909 . 14 1 1 A 89 89 ILE HA H 89 4.851 4.725 0.126 1 1 910 . 14 1 1 A 89 89 ILE CB C 89 39.662 39.551 0.111 1 1 922 . 14 1 1 A 89 89 ILE C C 89 175.605 174.649 0.956 1 1 924 . 14 1 1 A 90 90 SER N N 90 123.845 124.634 -0.789 1 1 925 . 14 1 1 A 90 90 SER H H 90 9.540 8.878 0.662 1 1 926 . 14 1 1 A 90 90 SER CA C 90 58.036 57.895 0.141 1 1 927 . 14 1 1 A 90 90 SER HA H 90 5.199 5.082 0.117 1 1 928 . 14 1 1 A 90 90 SER CB C 90 64.133 63.906 0.227 1 1 930 . 14 1 1 A 90 90 SER C C 90 173.566 173.995 -0.429 1 1 932 . 14 1 1 A 91 91 VAL N N 91 128.427 127.228 1.199 1 1 933 . 14 1 1 A 91 91 VAL H H 91 9.918 8.569 1.349 1 1 934 . 14 1 1 A 91 91 VAL CA C 91 61.447 61.394 0.053 1 1 935 . 14 1 1 A 91 91 VAL HA H 91 4.837 5.085 -0.248 1 1 936 . 14 1 1 A 91 91 VAL CB C 91 33.761 34.416 -0.655 1 1 946 . 14 1 1 A 91 91 VAL C C 91 173.296 175.058 -1.762 1 1 947 . 14 1 1 A 92 92 LYS N N 92 125.779 125.957 -0.178 1 1 948 . 14 1 1 A 92 92 LYS H H 92 8.892 8.507 0.385 1 1 949 . 14 1 1 A 92 92 LYS CA C 92 54.468 54.980 -0.512 1 1 950 . 14 1 1 A 92 92 LYS HA H 92 5.065 5.147 -0.082 1 1 951 . 14 1 1 A 92 92 LYS CB C 92 36.106 36.356 -0.250 1 1 959 . 14 1 1 A 92 92 LYS C C 92 175.189 174.120 1.069 1 1 964 . 14 1 1 A 93 93 TYR N N 93 120.251 125.354 -5.103 1 1 965 . 14 1 1 A 93 93 TYR H H 93 8.061 9.133 -1.072 1 1 966 . 14 1 1 A 93 93 TYR CA C 93 56.884 56.958 -0.074 1 1 967 . 14 1 1 A 93 93 TYR HA H 93 5.522 5.026 0.496 1 1 968 . 14 1 1 A 93 93 TYR CB C 93 44.120 41.441 2.679 1 1 978 . 14 1 1 A 93 93 TYR C C 93 175.517 175.940 -0.423 1 1 980 . 14 1 1 A 94 94 GLY N N 94 114.148 115.047 -0.899 1 1 981 . 14 1 1 A 94 94 GLY H H 94 8.274 8.252 0.022 1 1 982 . 14 1 1 A 94 94 GLY CA C 94 45.959 45.607 0.352 1 1 983 . 14 1 1 A 94 94 GLY HA3 H 94 3.705 3.797 -0.092 1 1 984 . 14 1 1 A 94 94 GLY C C 94 173.595 174.142 -0.547 1 1 985 . 14 1 1 A 94 94 GLY HA2 H 94 3.877 3.719 0.158 1 1 986 . 14 1 1 A 95 95 GLY N N 95 107.010 108.238 -1.228 1 1 987 . 14 1 1 A 95 95 GLY H H 95 7.452 8.397 -0.945 1 1 988 . 14 1 1 A 95 95 GLY CA C 95 43.954 44.364 -0.410 1 1 989 . 14 1 1 A 95 95 GLY HA3 H 95 3.618 4.126 -0.508 1 1 990 . 14 1 1 A 95 95 GLY C C 95 172.825 174.715 -1.890 1 1 991 . 14 1 1 A 95 95 GLY HA2 H 95 4.507 4.111 0.396 1 1 992 . 14 1 1 A 96 96 PRO CA C 96 63.221 64.412 -1.191 1 1 993 . 14 1 1 A 96 96 PRO HA H 96 4.413 4.493 -0.080 1 1 994 . 14 1 1 A 96 96 PRO CB C 96 30.955 31.914 -0.959 1 1 1000 . 14 1 1 A 96 96 PRO C C 96 175.901 176.295 -0.394 1 1 1004 . 14 1 1 A 97 97 ASN N N 97 119.942 117.100 2.842 1 1 1005 . 14 1 1 A 97 97 ASN H H 97 8.172 8.096 0.076 1 1 1006 . 14 1 1 A 97 97 ASN CA C 97 52.914 53.110 -0.196 1 1 1007 . 14 1 1 A 97 97 ASN HA H 97 4.864 4.656 0.208 1 1 1008 . 14 1 1 A 97 97 ASN CB C 97 39.806 38.636 1.170 1 1 1013 . 14 1 1 A 97 97 ASN C C 97 174.285 175.093 -0.808 1 1 1015 . 14 1 1 A 98 98 HIS N N 98 121.803 123.229 -1.426 1 1 1016 . 14 1 1 A 98 98 HIS H H 98 8.456 8.706 -0.250 1 1 1017 . 14 1 1 A 98 98 HIS CA C 98 58.023 55.290 2.733 1 1 1018 . 14 1 1 A 98 98 HIS HA H 98 4.475 4.711 -0.236 1 1 1019 . 14 1 1 A 98 98 HIS CB C 98 33.382 31.357 2.025 1 1 1025 . 14 1 1 A 98 98 HIS C C 98 177.938 175.420 2.518 1 1 1027 . 14 1 1 A 99 99 ILE N N 99 115.599 116.130 -0.531 1 1 1028 . 14 1 1 A 99 99 ILE H H 99 8.237 8.458 -0.221 1 1 1029 . 14 1 1 A 99 99 ILE CA C 99 60.895 59.542 1.353 1 1 1030 . 14 1 1 A 99 99 ILE HA H 99 4.545 4.358 0.187 1 1 1031 . 14 1 1 A 99 99 ILE CB C 99 38.675 39.763 -1.088 1 1 1043 . 14 1 1 A 99 99 ILE C C 99 176.165 175.994 0.171 1 1 1045 . 14 1 1 A 100 100 VAL H H 100 8.389 8.524 -0.135 1 1 1046 . 14 1 1 A 100 100 VAL CA C 100 65.835 63.629 2.206 1 1 1047 . 14 1 1 A 100 100 VAL HA H 100 3.673 3.886 -0.213 1 1 1048 . 14 1 1 A 100 100 VAL CB C 100 31.169 31.625 -0.456 1 1 1058 . 14 1 1 A 101 101 GLY N N 101 116.014 117.909 -1.895 1 1 1059 . 14 1 1 A 101 101 GLY H H 101 8.297 9.050 -0.753 1 1 1060 . 14 1 1 A 101 101 GLY CA C 101 44.626 45.447 -0.821 1 1 1061 . 14 1 1 A 101 101 GLY HA3 H 101 3.227 4.186 -0.959 1 1 1062 . 14 1 1 A 101 101 GLY C C 101 171.863 174.065 -2.202 1 1 1063 . 14 1 1 A 101 101 GLY HA2 H 101 4.207 4.033 0.174 1 1 1064 . 14 1 1 A 102 102 SER N N 102 111.977 117.377 -5.400 1 1 1065 . 14 1 1 A 102 102 SER H H 102 7.304 7.862 -0.558 1 1 1066 . 14 1 1 A 102 102 SER CA C 102 54.570 55.528 -0.958 1 1 1067 . 14 1 1 A 102 102 SER HA H 102 3.915 3.155 0.760 1 1 1068 . 14 1 1 A 102 102 SER CB C 102 62.569 63.319 -0.750 1 1 1071 . 14 1 1 A 103 103 PRO CA C 103 62.215 61.957 0.258 1 1 1072 . 14 1 1 A 103 103 PRO HA H 103 5.475 4.170 1.305 1 1 1073 . 14 1 1 A 103 103 PRO CB C 103 33.552 32.642 0.910 1 1 1079 . 14 1 1 A 103 103 PRO C C 103 175.646 174.814 0.832 1 1 1083 . 14 1 1 A 104 104 PHE N N 104 123.291 119.504 3.787 1 1 1084 . 14 1 1 A 104 104 PHE H H 104 9.465 7.825 1.640 1 1 1085 . 14 1 1 A 104 104 PHE CA C 104 57.015 56.558 0.457 1 1 1086 . 14 1 1 A 104 104 PHE HA H 104 4.531 4.948 -0.417 1 1 1087 . 14 1 1 A 104 104 PHE CB C 104 40.607 40.937 -0.330 1 1 1099 . 14 1 1 A 104 104 PHE C C 104 175.305 174.228 1.077 1 1 1101 . 14 1 1 A 105 105 LYS N N 105 123.989 125.237 -1.248 1 1 1102 . 14 1 1 A 105 105 LYS H H 105 8.712 9.083 -0.371 1 1 1103 . 14 1 1 A 105 105 LYS CA C 105 55.868 55.787 0.081 1 1 1104 . 14 1 1 A 105 105 LYS HA H 105 4.913 4.877 0.036 1 1 1105 . 14 1 1 A 105 105 LYS CB C 105 32.762 34.120 -1.358 1 1 1113 . 14 1 1 A 105 105 LYS C C 105 174.065 175.215 -1.150 1 1 1118 . 14 1 1 A 106 106 ALA N N 106 129.654 129.440 0.214 1 1 1119 . 14 1 1 A 106 106 ALA H H 106 8.964 8.784 0.180 1 1 1120 . 14 1 1 A 106 106 ALA CA C 106 50.325 50.313 0.012 1 1 1121 . 14 1 1 A 106 106 ALA HA H 106 4.497 5.388 -0.891 1 1 1122 . 14 1 1 A 106 106 ALA CB C 106 20.496 21.731 -1.235 1 1 1126 . 14 1 1 A 106 106 ALA C C 106 176.111 175.150 0.961 1 1 1127 . 14 1 1 A 107 107 LYS N N 107 124.155 123.759 0.396 1 1 1128 . 14 1 1 A 107 107 LYS H H 107 7.955 8.898 -0.943 1 1 1129 . 14 1 1 A 107 107 LYS CA C 107 55.904 54.863 1.041 1 1 1130 . 14 1 1 A 107 107 LYS HA H 107 4.950 4.910 0.040 1 1 1131 . 14 1 1 A 107 107 LYS CB C 107 33.755 34.404 -0.649 1 1 1139 . 14 1 1 A 107 107 LYS C C 107 175.350 175.306 0.044 1 1 1144 . 14 1 1 A 108 108 VAL N N 108 128.726 127.957 0.769 1 1 1145 . 14 1 1 A 108 108 VAL H H 108 9.373 8.417 0.956 1 1 1146 . 14 1 1 A 108 108 VAL CA C 108 60.804 61.665 -0.861 1 1 1147 . 14 1 1 A 108 108 VAL HA H 108 4.851 4.852 -0.001 1 1 1148 . 14 1 1 A 108 108 VAL CB C 108 33.175 32.643 0.532 1 1 1158 . 14 1 1 A 108 108 VAL C C 108 177.017 175.392 1.625 1 1 1159 . 14 1 1 A 109 109 THR N N 109 121.067 116.647 4.420 1 1 1160 . 14 1 1 A 109 109 THR H H 109 8.527 8.572 -0.045 1 1 1161 . 14 1 1 A 109 109 THR CA C 109 60.138 59.757 0.381 1 1 1162 . 14 1 1 A 109 109 THR HA H 109 4.864 5.152 -0.288 1 1 1163 . 14 1 1 A 109 109 THR CB C 109 70.960 71.652 -0.692 1 1 1169 . 14 1 1 A 109 109 THR C C 109 173.130 173.200 -0.070 1 1 1170 . 14 1 1 A 110 110 GLY N N 110 106.893 108.897 -2.004 1 1 1171 . 14 1 1 A 110 110 GLY H H 110 8.404 8.438 -0.034 1 1 1172 . 14 1 1 A 110 110 GLY CA C 110 43.888 45.504 -1.616 1 1 1173 . 14 1 1 A 110 110 GLY HA3 H 110 3.851 4.170 -0.319 1 1 1174 . 14 1 1 A 110 110 GLY C C 110 173.870 173.310 0.560 1 1 1175 . 14 1 1 A 110 110 GLY HA2 H 110 4.773 4.169 0.604 1 1 1176 . 14 1 1 A 111 111 GLN N N 111 116.999 121.675 -4.676 1 1 1177 . 14 1 1 A 111 111 GLN H H 111 8.234 8.360 -0.126 1 1 1178 . 14 1 1 A 111 111 GLN CA C 111 55.230 56.289 -1.059 1 1 1179 . 14 1 1 A 111 111 GLN HA H 111 4.269 4.227 0.042 1 1 1180 . 14 1 1 A 111 111 GLN CB C 111 30.118 28.803 1.315 1 1 1187 . 14 1 1 A 111 111 GLN C C 111 176.550 175.662 0.888 1 1 1190 . 14 1 1 A 112 112 ARG N N 112 122.131 123.177 -1.046 1 1 1191 . 14 1 1 A 112 112 ARG H H 112 8.832 8.433 0.399 1 1 1192 . 14 1 1 A 112 112 ARG CA C 112 57.384 56.918 0.466 1 1 1193 . 14 1 1 A 112 112 ARG HA H 112 4.300 4.185 0.115 1 1 1194 . 14 1 1 A 112 112 ARG CB C 112 30.059 30.190 -0.131 1 1 1200 . 14 1 1 A 112 112 ARG C C 112 175.836 176.410 -0.574 1 1 1204 . 14 1 1 A 113 113 LEU N N 113 126.764 125.049 1.715 1 1 1205 . 14 1 1 A 113 113 LEU H H 113 8.424 8.530 -0.106 1 1 1206 . 14 1 1 A 113 113 LEU CA C 113 54.919 55.400 -0.481 1 1 1207 . 14 1 1 A 113 113 LEU HA H 113 4.517 4.293 0.224 1 1 1208 . 14 1 1 A 113 113 LEU CB C 113 42.706 42.166 0.540 1 1 1220 . 14 1 1 A 113 113 LEU C C 113 176.521 177.172 -0.651 1 1 1222 . 14 1 1 A 116 116 PRO CA C 116 63.729 65.013 -1.284 1 1 1223 . 14 1 1 A 116 116 PRO HA H 116 4.436 4.445 -0.009 1 1 1224 . 14 1 1 A 116 116 PRO CB C 116 32.182 32.139 0.043 1 1 1233 . 14 1 1 A 117 117 GLY N N 117 110.092 106.513 3.579 1 1 1234 . 14 1 1 A 117 117 GLY H H 117 8.493 8.055 0.438 1 1 1235 . 14 1 1 A 118 118 SER CA C 118 58.420 59.276 -0.856 1 1 1236 . 14 1 1 A 118 118 SER HA H 118 4.454 4.059 0.395 1 1 1237 . 14 1 1 A 118 118 SER CB C 118 64.014 62.050 1.964 1 1 1239 . 14 1 1 A 118 118 SER C C 118 174.495 172.866 1.629 1 1 1241 . 14 1 1 A 119 119 ALA N N 119 125.244 119.990 5.254 1 1 1242 . 14 1 1 A 119 119 ALA H H 119 8.365 7.334 1.031 1 1 1243 . 14 1 1 A 119 119 ALA CA C 119 52.697 51.708 0.989 1 1 1244 . 14 1 1 A 119 119 ALA HA H 119 4.333 4.901 -0.568 1 1 1245 . 14 1 1 A 119 119 ALA CB C 119 19.378 22.028 -2.650 1 1 1249 . 14 1 1 A 119 119 ALA C C 119 177.362 175.560 1.802 1 1 1250 . 14 1 1 A 120 120 ASN N N 120 117.122 117.072 0.050 1 1 1251 . 14 1 1 A 120 120 ASN H H 120 8.311 8.702 -0.391 1 1 1252 . 14 1 1 A 120 120 ASN CA C 120 53.198 52.117 1.081 1 1 1253 . 14 1 1 A 120 120 ASN HA H 120 4.659 5.329 -0.670 1 1 1254 . 14 1 1 A 120 120 ASN CB C 120 38.852 42.367 -3.515 1 1 1259 . 14 1 1 A 120 120 ASN C C 120 175.112 172.778 2.334 1 1 1261 . 14 1 1 A 122 122 THR CA C 122 61.947 60.830 1.117 1 1 1262 . 14 1 1 A 122 122 THR HA H 122 4.197 5.031 -0.834 1 1 1263 . 14 1 1 A 122 122 THR CB C 122 69.949 70.091 -0.142 1 1 1 . 15 1 1 A 9 9 LYS N N 9 120.806 119.186 1.620 1 1 2 . 15 1 1 A 9 9 LYS H H 9 8.548 6.573 1.975 1 1 3 . 15 1 1 A 9 9 LYS CA C 9 56.358 56.960 -0.602 1 1 4 . 15 1 1 A 9 9 LYS HA H 9 4.261 3.502 0.759 1 1 5 . 15 1 1 A 9 9 LYS CB C 9 32.673 30.849 1.824 1 1 17 . 15 1 1 A 10 10 VAL HA H 10 4.307 4.646 -0.339 1 1 18 . 15 1 1 A 10 10 VAL CB C 10 34.845 33.750 1.095 1 1 24 . 15 1 1 A 11 11 ARG N N 11 125.757 124.106 1.651 1 1 25 . 15 1 1 A 11 11 ARG H H 11 8.546 8.744 -0.198 1 1 26 . 15 1 1 A 11 11 ARG CA C 11 55.966 55.950 0.016 1 1 27 . 15 1 1 A 11 11 ARG HA H 11 4.463 4.843 -0.380 1 1 28 . 15 1 1 A 11 11 ARG CB C 11 30.834 31.054 -0.220 1 1 37 . 15 1 1 A 12 12 VAL CA C 12 62.370 59.997 2.373 1 1 38 . 15 1 1 A 12 12 VAL HA H 12 4.205 4.685 -0.480 1 1 39 . 15 1 1 A 12 12 VAL CB C 12 32.571 35.056 -2.485 1 1 48 . 15 1 1 A 13 13 GLY N N 13 113.294 112.140 1.154 1 1 49 . 15 1 1 A 13 13 GLY H H 13 8.608 8.670 -0.062 1 1 50 . 15 1 1 A 13 13 GLY CA C 13 44.973 45.534 -0.561 1 1 51 . 15 1 1 A 13 13 GLY HA3 H 13 4.024 3.999 0.025 1 1 52 . 15 1 1 A 13 13 GLY HA2 H 13 3.891 3.996 -0.105 1 1 53 . 15 1 1 A 14 14 GLU N N 14 120.644 123.564 -2.920 1 1 54 . 15 1 1 A 14 14 GLU H H 14 8.139 8.390 -0.251 1 1 55 . 15 1 1 A 14 14 GLU CA C 14 54.101 54.651 -0.550 1 1 56 . 15 1 1 A 14 14 GLU HA H 14 4.626 4.755 -0.129 1 1 57 . 15 1 1 A 14 14 GLU CB C 14 30.026 30.267 -0.241 1 1 63 . 15 1 1 A 15 15 PRO CA C 15 63.731 65.223 -1.492 1 1 64 . 15 1 1 A 15 15 PRO HA H 15 4.319 4.347 -0.028 1 1 65 . 15 1 1 A 15 15 PRO CB C 15 31.974 31.916 0.058 1 1 71 . 15 1 1 A 15 15 PRO C C 15 177.450 177.170 0.280 1 1 75 . 15 1 1 A 16 16 GLY N N 16 109.768 106.633 3.135 1 1 76 . 15 1 1 A 16 16 GLY H H 16 8.577 8.439 0.138 1 1 77 . 15 1 1 A 16 16 GLY CA C 16 45.424 46.615 -1.191 1 1 78 . 15 1 1 A 16 16 GLY HA3 H 16 3.804 3.800 0.004 1 1 79 . 15 1 1 A 16 16 GLY C C 16 174.160 173.513 0.647 1 1 80 . 15 1 1 A 16 16 GLY HA2 H 16 4.086 3.797 0.289 1 1 81 . 15 1 1 A 17 17 GLN N N 17 119.726 124.340 -4.614 1 1 82 . 15 1 1 A 17 17 GLN H H 17 7.868 8.500 -0.632 1 1 83 . 15 1 1 A 17 17 GLN CA C 17 55.403 53.815 1.588 1 1 84 . 15 1 1 A 17 17 GLN HA H 17 4.389 4.955 -0.566 1 1 85 . 15 1 1 A 17 17 GLN CB C 17 29.894 32.824 -2.930 1 1 92 . 15 1 1 A 17 17 GLN C C 17 175.290 174.489 0.801 1 1 95 . 15 1 1 A 18 18 ALA N N 18 125.593 121.827 3.766 1 1 96 . 15 1 1 A 18 18 ALA H H 18 8.469 8.536 -0.067 1 1 97 . 15 1 1 A 18 18 ALA CA C 18 52.389 50.746 1.643 1 1 98 . 15 1 1 A 18 18 ALA HA H 18 4.448 4.636 -0.188 1 1 99 . 15 1 1 A 18 18 ALA CB C 18 19.959 20.249 -0.290 1 1 103 . 15 1 1 A 18 18 ALA C C 18 177.464 177.248 0.216 1 1 104 . 15 1 1 A 19 19 GLY N N 19 109.162 112.633 -3.471 1 1 105 . 15 1 1 A 19 19 GLY H H 19 8.294 8.518 -0.224 1 1 106 . 15 1 1 A 19 19 GLY CA C 19 45.270 46.203 -0.933 1 1 107 . 15 1 1 A 19 19 GLY HA3 H 19 3.853 4.040 -0.187 1 1 108 . 15 1 1 A 19 19 GLY C C 19 173.012 173.723 -0.711 1 1 109 . 15 1 1 A 19 19 GLY HA2 H 19 4.207 3.990 0.217 1 1 110 . 15 1 1 A 20 20 ASN N N 20 118.861 123.131 -4.270 1 1 111 . 15 1 1 A 20 20 ASN H H 20 8.479 8.387 0.092 1 1 112 . 15 1 1 A 20 20 ASN CA C 20 50.128 49.476 0.652 1 1 113 . 15 1 1 A 20 20 ASN HA H 20 5.236 5.215 0.021 1 1 114 . 15 1 1 A 20 20 ASN CB C 20 39.697 40.127 -0.430 1 1 119 . 15 1 1 A 20 20 ASN C C 20 174.482 174.949 -0.467 1 1 121 . 15 1 1 A 21 21 PRO CA C 21 64.588 65.117 -0.529 1 1 122 . 15 1 1 A 21 21 PRO HA H 21 4.312 4.538 -0.226 1 1 123 . 15 1 1 A 21 21 PRO CB C 21 31.950 32.092 -0.142 1 1 129 . 15 1 1 A 21 21 PRO C C 21 177.141 178.195 -1.054 1 1 133 . 15 1 1 A 22 22 ALA N N 22 118.898 118.874 0.024 1 1 134 . 15 1 1 A 22 22 ALA H H 22 7.918 8.078 -0.160 1 1 135 . 15 1 1 A 22 22 ALA CA C 22 53.499 55.387 -1.888 1 1 136 . 15 1 1 A 22 22 ALA HA H 22 4.386 4.045 0.341 1 1 137 . 15 1 1 A 22 22 ALA CB C 22 18.288 18.589 -0.301 1 1 141 . 15 1 1 A 22 22 ALA C C 22 178.115 180.312 -2.197 1 1 142 . 15 1 1 A 23 23 LEU N N 23 116.219 117.672 -1.453 1 1 143 . 15 1 1 A 23 23 LEU H H 23 7.696 8.122 -0.426 1 1 144 . 15 1 1 A 23 23 LEU CA C 23 53.851 58.092 -4.241 1 1 145 . 15 1 1 A 23 23 LEU HA H 23 4.475 4.036 0.439 1 1 146 . 15 1 1 A 23 23 LEU CB C 23 41.958 41.736 0.222 1 1 158 . 15 1 1 A 23 23 LEU C C 23 176.653 177.855 -1.202 1 1 160 . 15 1 1 A 24 24 VAL N N 24 122.233 119.795 2.438 1 1 161 . 15 1 1 A 24 24 VAL H H 24 7.207 7.685 -0.478 1 1 162 . 15 1 1 A 24 24 VAL CA C 24 62.768 63.409 -0.641 1 1 163 . 15 1 1 A 24 24 VAL HA H 24 4.081 4.037 0.044 1 1 164 . 15 1 1 A 24 24 VAL CB C 24 32.408 31.563 0.845 1 1 174 . 15 1 1 A 24 24 VAL C C 24 174.702 176.162 -1.460 1 1 175 . 15 1 1 A 25 25 SER N N 25 120.181 123.641 -3.460 1 1 176 . 15 1 1 A 25 25 SER H H 25 8.109 8.976 -0.867 1 1 177 . 15 1 1 A 25 25 SER CA C 25 56.489 57.747 -1.258 1 1 178 . 15 1 1 A 25 25 SER HA H 25 5.159 5.518 -0.359 1 1 179 . 15 1 1 A 25 25 SER CB C 25 66.443 66.886 -0.443 1 1 181 . 15 1 1 A 25 25 SER C C 25 172.102 172.518 -0.416 1 1 183 . 15 1 1 A 26 26 ALA N N 26 124.850 123.662 1.188 1 1 184 . 15 1 1 A 26 26 ALA H H 26 8.839 8.951 -0.112 1 1 185 . 15 1 1 A 26 26 ALA CA C 26 50.395 50.687 -0.292 1 1 186 . 15 1 1 A 26 26 ALA HA H 26 5.796 5.444 0.352 1 1 187 . 15 1 1 A 26 26 ALA CB C 26 22.868 23.702 -0.834 1 1 191 . 15 1 1 A 26 26 ALA C C 26 175.694 175.429 0.265 1 1 192 . 15 1 1 A 27 27 TYR N N 27 117.541 116.578 0.963 1 1 193 . 15 1 1 A 27 27 TYR H H 27 8.831 8.549 0.282 1 1 194 . 15 1 1 A 27 27 TYR CA C 27 56.610 55.990 0.620 1 1 195 . 15 1 1 A 27 27 TYR HA H 27 4.851 5.286 -0.435 1 1 196 . 15 1 1 A 27 27 TYR CB C 27 39.737 41.440 -1.703 1 1 206 . 15 1 1 A 27 27 TYR C C 27 173.299 173.962 -0.663 1 1 208 . 15 1 1 A 28 28 GLY N N 28 108.355 107.003 1.352 1 1 209 . 15 1 1 A 28 28 GLY H H 28 8.788 8.547 0.241 1 1 210 . 15 1 1 A 28 28 GLY CA C 28 44.056 45.066 -1.010 1 1 211 . 15 1 1 A 28 28 GLY HA3 H 28 4.304 4.433 -0.129 1 1 212 . 15 1 1 A 28 28 GLY C C 28 176.208 174.432 1.776 1 1 213 . 15 1 1 A 28 28 GLY HA2 H 28 5.047 4.310 0.737 1 1 214 . 15 1 1 A 29 29 THR N N 29 115.659 113.683 1.976 1 1 215 . 15 1 1 A 29 29 THR H H 29 9.027 8.303 0.724 1 1 216 . 15 1 1 A 29 29 THR CA C 29 65.419 66.217 -0.798 1 1 217 . 15 1 1 A 29 29 THR HA H 29 4.171 4.085 0.086 1 1 218 . 15 1 1 A 29 29 THR CB C 29 68.659 68.887 -0.228 1 1 224 . 15 1 1 A 29 29 THR C C 29 178.141 177.430 0.711 1 1 225 . 15 1 1 A 30 30 GLY N N 30 107.400 107.717 -0.317 1 1 226 . 15 1 1 A 30 30 GLY H H 30 8.747 8.463 0.284 1 1 227 . 15 1 1 A 30 30 GLY CA C 30 46.719 46.074 0.645 1 1 228 . 15 1 1 A 30 30 GLY HA3 H 30 3.556 4.069 -0.513 1 1 229 . 15 1 1 A 30 30 GLY C C 30 173.896 174.542 -0.646 1 1 230 . 15 1 1 A 30 30 GLY HA2 H 30 4.483 3.939 0.544 1 1 231 . 15 1 1 A 31 31 LEU N N 31 118.075 119.806 -1.731 1 1 232 . 15 1 1 A 31 31 LEU H H 31 7.389 7.798 -0.409 1 1 233 . 15 1 1 A 31 31 LEU CA C 31 55.799 55.214 0.585 1 1 234 . 15 1 1 A 31 31 LEU HA H 31 3.778 4.304 -0.526 1 1 235 . 15 1 1 A 31 31 LEU CB C 31 41.564 42.314 -0.750 1 1 247 . 15 1 1 A 31 31 LEU C C 31 176.045 178.505 -2.460 1 1 249 . 15 1 1 A 32 32 GLU N N 32 112.872 115.422 -2.550 1 1 250 . 15 1 1 A 32 32 GLU H H 32 7.509 8.250 -0.741 1 1 251 . 15 1 1 A 32 32 GLU CA C 32 56.330 56.145 0.185 1 1 252 . 15 1 1 A 32 32 GLU HA H 32 4.717 4.172 0.545 1 1 253 . 15 1 1 A 32 32 GLU CB C 32 31.924 29.201 2.723 1 1 257 . 15 1 1 A 32 32 GLU C C 32 177.958 176.234 1.724 1 1 260 . 15 1 1 A 33 33 GLY N N 33 107.880 107.602 0.278 1 1 261 . 15 1 1 A 33 33 GLY H H 33 7.822 7.384 0.438 1 1 262 . 15 1 1 A 33 33 GLY CA C 33 45.568 45.371 0.197 1 1 263 . 15 1 1 A 33 33 GLY HA3 H 33 4.125 4.101 0.024 1 1 264 . 15 1 1 A 33 33 GLY C C 33 172.046 171.941 0.105 1 1 265 . 15 1 1 A 33 33 GLY HA2 H 33 4.661 4.091 0.570 1 1 266 . 15 1 1 A 34 34 GLY N N 34 105.841 107.620 -1.779 1 1 267 . 15 1 1 A 34 34 GLY H H 34 7.740 8.356 -0.616 1 1 268 . 15 1 1 A 34 34 GLY CA C 34 45.215 45.139 0.076 1 1 269 . 15 1 1 A 34 34 GLY HA3 H 34 3.988 4.160 -0.172 1 1 270 . 15 1 1 A 34 34 GLY C C 34 171.280 173.029 -1.749 1 1 271 . 15 1 1 A 34 34 GLY HA2 H 34 4.030 4.150 -0.120 1 1 272 . 15 1 1 A 35 35 THR N N 35 119.173 116.735 2.438 1 1 273 . 15 1 1 A 35 35 THR H H 35 9.363 8.670 0.693 1 1 274 . 15 1 1 A 35 35 THR CA C 35 60.844 60.709 0.135 1 1 275 . 15 1 1 A 35 35 THR HA H 35 5.177 4.925 0.252 1 1 276 . 15 1 1 A 35 35 THR CB C 35 72.095 69.591 2.504 1 1 282 . 15 1 1 A 35 35 THR C C 35 173.460 173.818 -0.358 1 1 283 . 15 1 1 A 36 36 THR N N 36 116.864 121.718 -4.854 1 1 284 . 15 1 1 A 36 36 THR H H 36 8.425 8.549 -0.124 1 1 285 . 15 1 1 A 36 36 THR CA C 36 62.841 64.708 -1.867 1 1 286 . 15 1 1 A 36 36 THR HA H 36 3.701 3.895 -0.194 1 1 287 . 15 1 1 A 36 36 THR CB C 36 68.447 68.356 0.091 1 1 293 . 15 1 1 A 36 36 THR C C 36 175.396 175.738 -0.342 1 1 294 . 15 1 1 A 37 37 GLY N N 37 107.461 114.229 -6.768 1 1 295 . 15 1 1 A 37 37 GLY H H 37 8.548 8.898 -0.350 1 1 296 . 15 1 1 A 37 37 GLY CA C 37 45.434 44.941 0.493 1 1 297 . 15 1 1 A 37 37 GLY HA3 H 37 3.386 3.973 -0.587 1 1 298 . 15 1 1 A 37 37 GLY C C 37 172.598 173.497 -0.899 1 1 299 . 15 1 1 A 37 37 GLY HA2 H 37 4.024 3.972 0.052 1 1 300 . 15 1 1 A 38 38 ILE N N 38 122.313 122.308 0.005 1 1 301 . 15 1 1 A 38 38 ILE H H 38 7.871 7.865 0.006 1 1 302 . 15 1 1 A 38 38 ILE CA C 38 58.566 59.705 -1.139 1 1 303 . 15 1 1 A 38 38 ILE HA H 38 4.274 4.411 -0.137 1 1 304 . 15 1 1 A 38 38 ILE CB C 38 38.476 39.748 -1.272 1 1 316 . 15 1 1 A 38 38 ILE C C 38 175.081 174.762 0.319 1 1 318 . 15 1 1 A 39 39 GLN N N 39 127.942 126.449 1.493 1 1 319 . 15 1 1 A 39 39 GLN H H 39 8.487 8.483 0.004 1 1 320 . 15 1 1 A 39 39 GLN CA C 39 57.394 54.922 2.472 1 1 321 . 15 1 1 A 39 39 GLN HA H 39 4.312 4.621 -0.309 1 1 322 . 15 1 1 A 39 39 GLN CB C 39 31.057 29.511 1.546 1 1 329 . 15 1 1 A 39 39 GLN C C 39 176.011 175.125 0.886 1 1 332 . 15 1 1 A 40 40 SER N N 40 125.784 123.746 2.038 1 1 333 . 15 1 1 A 40 40 SER H H 40 9.167 8.556 0.611 1 1 334 . 15 1 1 A 40 40 SER CA C 40 58.188 58.119 0.069 1 1 335 . 15 1 1 A 40 40 SER HA H 40 4.633 4.602 0.031 1 1 336 . 15 1 1 A 40 40 SER CB C 40 66.149 64.085 2.064 1 1 338 . 15 1 1 A 40 40 SER C C 40 172.625 173.937 -1.312 1 1 340 . 15 1 1 A 41 41 GLU N N 41 117.679 119.272 -1.593 1 1 341 . 15 1 1 A 41 41 GLU H H 41 8.773 9.131 -0.358 1 1 342 . 15 1 1 A 41 41 GLU CA C 41 54.060 54.548 -0.488 1 1 343 . 15 1 1 A 41 41 GLU HA H 41 5.629 5.003 0.626 1 1 344 . 15 1 1 A 41 41 GLU CB C 41 34.053 32.805 1.248 1 1 348 . 15 1 1 A 41 41 GLU C C 41 175.607 175.051 0.556 1 1 351 . 15 1 1 A 42 42 PHE N N 42 116.557 117.811 -1.254 1 1 352 . 15 1 1 A 42 42 PHE H H 42 8.753 8.031 0.722 1 1 353 . 15 1 1 A 42 42 PHE CA C 42 56.847 55.153 1.694 1 1 354 . 15 1 1 A 42 42 PHE HA H 42 4.743 5.472 -0.729 1 1 355 . 15 1 1 A 42 42 PHE CB C 42 40.908 42.630 -1.722 1 1 367 . 15 1 1 A 42 42 PHE C C 42 170.204 172.648 -2.444 1 1 369 . 15 1 1 A 43 43 PHE N N 43 118.643 119.107 -0.464 1 1 370 . 15 1 1 A 43 43 PHE H H 43 9.234 8.495 0.739 1 1 371 . 15 1 1 A 43 43 PHE CA C 43 57.292 57.028 0.264 1 1 372 . 15 1 1 A 43 43 PHE HA H 43 5.041 4.916 0.125 1 1 373 . 15 1 1 A 43 43 PHE CB C 43 42.583 41.224 1.359 1 1 385 . 15 1 1 A 43 43 PHE C C 43 174.177 175.228 -1.051 1 1 387 . 15 1 1 A 44 44 ILE N N 44 120.124 120.295 -0.171 1 1 388 . 15 1 1 A 44 44 ILE H H 44 8.876 9.027 -0.151 1 1 389 . 15 1 1 A 44 44 ILE CA C 44 59.698 60.012 -0.314 1 1 390 . 15 1 1 A 44 44 ILE HA H 44 4.717 4.893 -0.176 1 1 391 . 15 1 1 A 44 44 ILE CB C 44 40.591 41.243 -0.652 1 1 403 . 15 1 1 A 44 44 ILE C C 44 174.483 175.261 -0.778 1 1 405 . 15 1 1 A 45 45 ASN N N 45 127.058 125.137 1.921 1 1 406 . 15 1 1 A 45 45 ASN H H 45 9.553 9.155 0.398 1 1 407 . 15 1 1 A 45 45 ASN CA C 45 52.099 52.166 -0.067 1 1 408 . 15 1 1 A 45 45 ASN HA H 45 5.380 4.873 0.507 1 1 409 . 15 1 1 A 45 45 ASN CB C 45 39.596 37.007 2.589 1 1 414 . 15 1 1 A 45 45 ASN C C 45 176.821 175.495 1.326 1 1 416 . 15 1 1 A 46 46 THR H H 46 9.223 8.740 0.483 1 1 417 . 15 1 1 A 46 46 THR CA C 46 61.534 60.996 0.538 1 1 418 . 15 1 1 A 46 46 THR HA H 46 4.368 4.583 -0.215 1 1 419 . 15 1 1 A 46 46 THR CB C 46 68.352 68.671 -0.319 1 1 425 . 15 1 1 A 46 46 THR C C 46 176.816 174.598 2.218 1 1 426 . 15 1 1 A 47 47 THR N N 47 116.732 117.222 -0.490 1 1 427 . 15 1 1 A 47 47 THR H H 47 8.368 7.697 0.671 1 1 428 . 15 1 1 A 47 47 THR CA C 47 65.916 63.170 2.746 1 1 429 . 15 1 1 A 47 47 THR HA H 47 4.032 4.412 -0.380 1 1 430 . 15 1 1 A 47 47 THR CB C 47 69.870 69.765 0.105 1 1 436 . 15 1 1 A 47 47 THR C C 47 176.865 176.067 0.798 1 1 437 . 15 1 1 A 48 48 ARG N N 48 119.205 120.822 -1.617 1 1 438 . 15 1 1 A 48 48 ARG H H 48 8.785 7.841 0.944 1 1 439 . 15 1 1 A 48 48 ARG CA C 48 56.273 57.302 -1.029 1 1 440 . 15 1 1 A 48 48 ARG HA H 48 4.488 4.384 0.104 1 1 441 . 15 1 1 A 48 48 ARG CB C 48 30.862 30.907 -0.045 1 1 447 . 15 1 1 A 48 48 ARG C C 48 176.314 178.395 -2.081 1 1 451 . 15 1 1 A 49 49 ALA N N 49 120.807 120.098 0.709 1 1 452 . 15 1 1 A 49 49 ALA H H 49 7.440 7.916 -0.476 1 1 453 . 15 1 1 A 49 49 ALA CA C 49 53.138 53.323 -0.185 1 1 454 . 15 1 1 A 49 49 ALA HA H 49 4.341 4.259 0.082 1 1 455 . 15 1 1 A 49 49 ALA CB C 49 22.427 19.613 2.814 1 1 459 . 15 1 1 A 49 49 ALA C C 49 177.914 178.131 -0.217 1 1 460 . 15 1 1 A 50 50 GLY N N 50 105.941 103.808 2.133 1 1 461 . 15 1 1 A 50 50 GLY H H 50 7.924 7.604 0.320 1 1 462 . 15 1 1 A 50 50 GLY CA C 50 44.229 44.611 -0.382 1 1 463 . 15 1 1 A 50 50 GLY HA3 H 50 4.325 4.168 0.157 1 1 464 . 15 1 1 A 50 50 GLY C C 50 171.089 172.850 -1.761 1 1 465 . 15 1 1 A 50 50 GLY HA2 H 50 3.948 4.116 -0.168 1 1 466 . 15 1 1 A 51 51 PRO CA C 51 63.140 63.185 -0.045 1 1 467 . 15 1 1 A 51 51 PRO HA H 51 4.588 4.536 0.052 1 1 468 . 15 1 1 A 51 51 PRO CB C 51 33.004 32.538 0.466 1 1 477 . 15 1 1 A 52 52 GLY CA C 52 45.195 45.184 0.011 1 1 478 . 15 1 1 A 52 52 GLY HA3 H 52 3.275 4.387 -1.112 1 1 479 . 15 1 1 A 52 52 GLY HA2 H 52 3.852 4.288 -0.436 1 1 480 . 15 1 1 A 53 53 THR N N 53 114.003 116.440 -2.437 1 1 481 . 15 1 1 A 53 53 THR H H 53 8.049 8.668 -0.619 1 1 482 . 15 1 1 A 53 53 THR CA C 53 62.352 63.201 -0.849 1 1 483 . 15 1 1 A 53 53 THR HA H 53 4.436 4.777 -0.341 1 1 484 . 15 1 1 A 53 53 THR CB C 53 69.631 70.108 -0.477 1 1 490 . 15 1 1 A 54 54 LEU CA C 54 53.891 52.806 1.085 1 1 491 . 15 1 1 A 54 54 LEU HA H 54 5.077 5.397 -0.320 1 1 492 . 15 1 1 A 54 54 LEU CB C 54 44.515 45.741 -1.226 1 1 503 . 15 1 1 A 55 55 SER N N 55 120.726 116.091 4.635 1 1 504 . 15 1 1 A 55 55 SER H H 55 8.783 8.904 -0.121 1 1 505 . 15 1 1 A 55 55 SER CA C 55 56.249 58.080 -1.831 1 1 506 . 15 1 1 A 55 55 SER HA H 55 5.092 5.005 0.087 1 1 507 . 15 1 1 A 55 55 SER CB C 55 65.032 63.742 1.290 1 1 509 . 15 1 1 A 55 55 SER C C 55 173.165 172.864 0.301 1 1 511 . 15 1 1 A 56 56 VAL N N 56 126.234 126.728 -0.494 1 1 512 . 15 1 1 A 56 56 VAL H H 56 8.336 8.985 -0.649 1 1 513 . 15 1 1 A 56 56 VAL CA C 56 60.515 59.599 0.916 1 1 514 . 15 1 1 A 56 56 VAL HA H 56 5.134 5.083 0.051 1 1 515 . 15 1 1 A 56 56 VAL CB C 56 34.463 34.460 0.003 1 1 520 . 15 1 1 A 56 56 VAL C C 56 174.718 174.126 0.592 1 1 521 . 15 1 1 A 57 57 THR N N 57 120.539 122.272 -1.733 1 1 522 . 15 1 1 A 57 57 THR H H 57 8.828 8.544 0.284 1 1 523 . 15 1 1 A 57 57 THR CA C 57 60.580 61.407 -0.827 1 1 524 . 15 1 1 A 57 57 THR HA H 57 5.132 4.909 0.223 1 1 525 . 15 1 1 A 57 57 THR CB C 57 72.187 72.501 -0.314 1 1 531 . 15 1 1 A 57 57 THR C C 57 172.970 173.509 -0.539 1 1 532 . 15 1 1 A 58 58 ILE N N 58 123.949 125.731 -1.782 1 1 533 . 15 1 1 A 58 58 ILE H H 58 9.249 8.860 0.389 1 1 534 . 15 1 1 A 58 58 ILE CA C 58 61.297 59.617 1.680 1 1 535 . 15 1 1 A 58 58 ILE HA H 58 5.001 5.261 -0.260 1 1 536 . 15 1 1 A 58 58 ILE CB C 58 39.755 40.900 -1.145 1 1 548 . 15 1 1 A 58 58 ILE C C 58 174.848 174.240 0.608 1 1 550 . 15 1 1 A 59 59 GLU N N 59 129.027 127.472 1.555 1 1 551 . 15 1 1 A 59 59 GLU H H 59 8.966 9.182 -0.216 1 1 552 . 15 1 1 A 59 59 GLU CA C 59 53.911 54.353 -0.442 1 1 553 . 15 1 1 A 59 59 GLU HA H 59 5.427 5.212 0.215 1 1 554 . 15 1 1 A 59 59 GLU CB C 59 33.843 33.148 0.695 1 1 558 . 15 1 1 A 59 59 GLU C C 59 175.342 174.967 0.375 1 1 561 . 15 1 1 A 60 60 GLY N N 60 110.765 109.898 0.867 1 1 562 . 15 1 1 A 60 60 GLY H H 60 8.597 8.177 0.420 1 1 563 . 15 1 1 A 60 60 GLY CA C 60 45.997 44.643 1.354 1 1 564 . 15 1 1 A 60 60 GLY HA3 H 60 3.908 3.826 0.082 1 1 565 . 15 1 1 A 60 60 GLY C C 60 171.205 173.920 -2.715 1 1 566 . 15 1 1 A 60 60 GLY HA2 H 60 3.685 3.286 0.399 1 1 567 . 15 1 1 A 61 61 PRO CA C 61 64.057 64.201 -0.144 1 1 568 . 15 1 1 A 61 61 PRO HA H 61 4.415 4.353 0.062 1 1 569 . 15 1 1 A 61 61 PRO CB C 61 32.143 32.188 -0.045 1 1 575 . 15 1 1 A 61 61 PRO C C 61 175.925 176.411 -0.486 1 1 579 . 15 1 1 A 62 62 SER N N 62 108.413 114.481 -6.068 1 1 580 . 15 1 1 A 62 62 SER H H 62 7.144 7.681 -0.537 1 1 581 . 15 1 1 A 62 62 SER CA C 62 57.037 57.944 -0.907 1 1 582 . 15 1 1 A 62 62 SER HA H 62 4.596 4.889 -0.293 1 1 583 . 15 1 1 A 62 62 SER CB C 62 66.522 65.404 1.118 1 1 585 . 15 1 1 A 62 62 SER C C 62 172.446 173.734 -1.288 1 1 587 . 15 1 1 A 63 63 LYS N N 63 122.539 125.245 -2.706 1 1 588 . 15 1 1 A 63 63 LYS H H 63 8.620 8.591 0.029 1 1 589 . 15 1 1 A 63 63 LYS CA C 63 56.407 57.323 -0.916 1 1 590 . 15 1 1 A 63 63 LYS HA H 63 4.267 4.464 -0.197 1 1 591 . 15 1 1 A 63 63 LYS CB C 63 32.576 33.315 -0.739 1 1 596 . 15 1 1 A 63 63 LYS C C 63 176.658 176.678 -0.020 1 1 601 . 15 1 1 A 64 64 VAL N N 64 120.278 117.937 2.341 1 1 602 . 15 1 1 A 64 64 VAL H H 64 8.554 8.727 -0.173 1 1 603 . 15 1 1 A 64 64 VAL CA C 64 60.425 59.053 1.372 1 1 604 . 15 1 1 A 64 64 VAL HA H 64 4.460 4.901 -0.441 1 1 605 . 15 1 1 A 64 64 VAL CB C 64 32.938 35.932 -2.994 1 1 615 . 15 1 1 A 64 64 VAL C C 64 176.629 174.241 2.388 1 1 616 . 15 1 1 A 65 65 LYS N N 65 121.529 124.351 -2.822 1 1 617 . 15 1 1 A 65 65 LYS H H 65 8.139 8.398 -0.259 1 1 618 . 15 1 1 A 65 65 LYS CA C 65 56.181 55.875 0.306 1 1 619 . 15 1 1 A 65 65 LYS HA H 65 4.474 4.542 -0.068 1 1 620 . 15 1 1 A 65 65 LYS CB C 65 32.960 32.894 0.066 1 1 627 . 15 1 1 A 65 65 LYS C C 65 176.309 175.300 1.009 1 1 632 . 15 1 1 A 66 66 MET N N 66 125.382 126.823 -1.441 1 1 633 . 15 1 1 A 66 66 MET H H 66 8.811 8.017 0.794 1 1 634 . 15 1 1 A 66 66 MET CA C 66 55.055 55.346 -0.291 1 1 635 . 15 1 1 A 66 66 MET HA H 66 5.393 4.632 0.761 1 1 636 . 15 1 1 A 66 66 MET CB C 66 37.398 32.453 4.945 1 1 644 . 15 1 1 A 66 66 MET C C 66 174.026 175.790 -1.764 1 1 647 . 15 1 1 A 67 67 ASP N N 67 122.714 124.406 -1.692 1 1 648 . 15 1 1 A 67 67 ASP H H 67 8.995 8.397 0.598 1 1 649 . 15 1 1 A 67 67 ASP CA C 67 53.231 52.817 0.414 1 1 650 . 15 1 1 A 67 67 ASP HA H 67 4.854 4.958 -0.104 1 1 651 . 15 1 1 A 67 67 ASP CB C 67 44.980 41.792 3.188 1 1 654 . 15 1 1 A 68 68 CYS H H 68 8.412 7.538 0.874 1 1 655 . 15 1 1 A 68 68 CYS CA C 68 56.390 60.086 -3.696 1 1 656 . 15 1 1 A 68 68 CYS HA H 68 5.288 4.309 0.979 1 1 657 . 15 1 1 A 68 68 CYS CB C 68 28.188 27.996 0.192 1 1 660 . 15 1 1 A 69 69 GLN N N 69 125.044 125.002 0.042 1 1 661 . 15 1 1 A 69 69 GLN H H 69 9.116 8.727 0.389 1 1 662 . 15 1 1 A 69 69 GLN CA C 69 56.403 54.186 2.217 1 1 663 . 15 1 1 A 69 69 GLN HA H 69 5.290 4.771 0.519 1 1 664 . 15 1 1 A 69 69 GLN CB C 69 32.962 31.501 1.461 1 1 671 . 15 1 1 A 70 70 GLU N N 70 125.781 124.905 0.876 1 1 672 . 15 1 1 A 70 70 GLU H H 70 8.979 8.639 0.340 1 1 673 . 15 1 1 A 70 70 GLU CA C 70 56.418 56.723 -0.305 1 1 674 . 15 1 1 A 70 70 GLU HA H 70 4.029 4.227 -0.198 1 1 675 . 15 1 1 A 70 70 GLU CB C 70 30.585 29.874 0.711 1 1 681 . 15 1 1 A 71 71 THR N N 71 118.158 112.391 5.767 1 1 682 . 15 1 1 A 71 71 THR H H 71 8.455 8.336 0.119 1 1 683 . 15 1 1 A 71 71 THR CA C 71 59.209 58.450 0.759 1 1 684 . 15 1 1 A 71 71 THR HA H 71 4.902 4.873 0.029 1 1 685 . 15 1 1 A 71 71 THR CB C 71 68.926 70.806 -1.880 1 1 691 . 15 1 1 A 72 72 PRO CA C 72 65.290 64.262 1.028 1 1 692 . 15 1 1 A 72 72 PRO HA H 72 4.296 4.472 -0.176 1 1 693 . 15 1 1 A 72 72 PRO CB C 72 31.848 31.664 0.184 1 1 699 . 15 1 1 A 72 72 PRO C C 72 177.476 177.948 -0.472 1 1 703 . 15 1 1 A 73 73 GLU N N 73 112.293 118.039 -5.746 1 1 704 . 15 1 1 A 73 73 GLU H H 73 7.562 8.570 -1.008 1 1 705 . 15 1 1 A 73 73 GLU CA C 73 55.577 58.262 -2.685 1 1 706 . 15 1 1 A 73 73 GLU HA H 73 4.370 4.218 0.152 1 1 707 . 15 1 1 A 73 73 GLU CB C 73 30.787 30.934 -0.147 1 1 711 . 15 1 1 A 73 73 GLU C C 73 174.438 176.890 -2.452 1 1 714 . 15 1 1 A 74 74 GLY N N 74 109.223 106.604 2.619 1 1 715 . 15 1 1 A 74 74 GLY H H 74 7.324 7.020 0.304 1 1 716 . 15 1 1 A 74 74 GLY CA C 74 47.146 46.043 1.103 1 1 717 . 15 1 1 A 74 74 GLY HA3 H 74 3.551 4.120 -0.569 1 1 718 . 15 1 1 A 74 74 GLY C C 74 172.589 171.629 0.960 1 1 719 . 15 1 1 A 74 74 GLY HA2 H 74 4.949 3.983 0.966 1 1 720 . 15 1 1 A 75 75 TYR N N 75 123.117 116.828 6.289 1 1 721 . 15 1 1 A 75 75 TYR H H 75 8.883 8.004 0.879 1 1 722 . 15 1 1 A 75 75 TYR CA C 75 57.566 56.695 0.871 1 1 723 . 15 1 1 A 75 75 TYR HA H 75 5.171 5.093 0.078 1 1 724 . 15 1 1 A 75 75 TYR CB C 75 44.111 41.364 2.747 1 1 734 . 15 1 1 A 75 75 TYR C C 75 173.925 174.033 -0.108 1 1 736 . 15 1 1 A 76 76 LYS N N 76 124.633 125.632 -0.999 1 1 737 . 15 1 1 A 76 76 LYS H H 76 9.390 8.533 0.857 1 1 738 . 15 1 1 A 76 76 LYS CA C 76 55.055 55.196 -0.141 1 1 739 . 15 1 1 A 76 76 LYS HA H 76 4.594 4.655 -0.061 1 1 740 . 15 1 1 A 76 76 LYS CB C 76 35.124 34.093 1.031 1 1 748 . 15 1 1 A 76 76 LYS C C 76 174.069 174.865 -0.796 1 1 753 . 15 1 1 A 77 77 VAL N N 77 126.947 125.777 1.170 1 1 754 . 15 1 1 A 77 77 VAL H H 77 8.607 7.830 0.777 1 1 755 . 15 1 1 A 77 77 VAL CA C 77 60.894 60.103 0.791 1 1 756 . 15 1 1 A 77 77 VAL HA H 77 4.280 4.612 -0.332 1 1 757 . 15 1 1 A 77 77 VAL CB C 77 32.115 34.596 -2.481 1 1 767 . 15 1 1 A 77 77 VAL C C 77 173.586 174.546 -0.960 1 1 768 . 15 1 1 A 78 78 MET N N 78 123.986 124.804 -0.818 1 1 769 . 15 1 1 A 78 78 MET H H 78 8.410 8.569 -0.159 1 1 770 . 15 1 1 A 78 78 MET CA C 78 53.236 54.531 -1.295 1 1 771 . 15 1 1 A 78 78 MET HA H 78 5.290 5.288 0.002 1 1 772 . 15 1 1 A 78 78 MET CB C 78 36.873 37.086 -0.213 1 1 780 . 15 1 1 A 78 78 MET C C 78 174.665 174.345 0.320 1 1 783 . 15 1 1 A 79 79 TYR N N 79 117.488 119.393 -1.905 1 1 784 . 15 1 1 A 79 79 TYR H H 79 8.739 8.868 -0.129 1 1 785 . 15 1 1 A 79 79 TYR CA C 79 56.011 55.718 0.293 1 1 786 . 15 1 1 A 79 79 TYR HA H 79 5.654 5.486 0.168 1 1 787 . 15 1 1 A 79 79 TYR CB C 79 41.549 42.097 -0.548 1 1 797 . 15 1 1 A 79 79 TYR C C 79 172.927 173.076 -0.149 1 1 799 . 15 1 1 A 80 80 THR H H 80 8.383 8.952 -0.569 1 1 800 . 15 1 1 A 80 80 THR CA C 80 58.611 58.990 -0.379 1 1 801 . 15 1 1 A 80 80 THR HA H 80 4.978 4.690 0.288 1 1 802 . 15 1 1 A 80 80 THR CB C 80 70.258 70.403 -0.145 1 1 808 . 15 1 1 A 81 81 PRO CA C 81 61.531 62.720 -1.189 1 1 809 . 15 1 1 A 81 81 PRO HA H 81 4.532 4.794 -0.262 1 1 810 . 15 1 1 A 81 81 PRO CB C 81 32.774 31.541 1.233 1 1 819 . 15 1 1 A 82 82 MET N N 82 117.590 123.455 -5.865 1 1 820 . 15 1 1 A 82 82 MET H H 82 8.299 8.877 -0.578 1 1 821 . 15 1 1 A 82 82 MET CA C 82 53.882 57.587 -3.705 1 1 822 . 15 1 1 A 82 82 MET HA H 82 4.851 4.462 0.389 1 1 823 . 15 1 1 A 82 82 MET CB C 82 33.337 33.596 -0.259 1 1 831 . 15 1 1 A 82 82 MET C C 82 174.339 176.017 -1.678 1 1 834 . 15 1 1 A 83 83 ALA N N 83 119.196 119.849 -0.653 1 1 835 . 15 1 1 A 83 83 ALA H H 83 7.076 7.790 -0.714 1 1 836 . 15 1 1 A 83 83 ALA CA C 83 49.425 49.444 -0.019 1 1 837 . 15 1 1 A 83 83 ALA HA H 83 4.791 4.754 0.037 1 1 838 . 15 1 1 A 83 83 ALA CB C 83 20.682 21.162 -0.480 1 1 842 . 15 1 1 A 83 83 ALA C C 83 174.364 175.116 -0.752 1 1 843 . 15 1 1 A 84 84 PRO CA C 84 62.540 63.156 -0.616 1 1 844 . 15 1 1 A 84 84 PRO HA H 84 4.244 4.551 -0.307 1 1 845 . 15 1 1 A 84 84 PRO CB C 84 32.615 33.244 -0.629 1 1 851 . 15 1 1 A 84 84 PRO C C 84 174.214 176.093 -1.879 1 1 855 . 15 1 1 A 85 85 GLY N N 85 105.436 108.607 -3.171 1 1 856 . 15 1 1 A 85 85 GLY H H 85 8.855 8.317 0.538 1 1 857 . 15 1 1 A 85 85 GLY CA C 85 44.156 45.077 -0.921 1 1 858 . 15 1 1 A 85 85 GLY HA3 H 85 3.761 4.289 -0.528 1 1 859 . 15 1 1 A 85 85 GLY C C 85 171.801 172.153 -0.352 1 1 860 . 15 1 1 A 85 85 GLY HA2 H 85 4.515 4.252 0.263 1 1 861 . 15 1 1 A 86 86 ASN N N 86 119.042 119.937 -0.895 1 1 862 . 15 1 1 A 86 86 ASN H H 86 8.573 8.604 -0.031 1 1 863 . 15 1 1 A 86 86 ASN CA C 86 52.499 51.960 0.539 1 1 864 . 15 1 1 A 86 86 ASN HA H 86 5.517 5.629 -0.112 1 1 865 . 15 1 1 A 86 86 ASN CB C 86 39.390 40.056 -0.666 1 1 870 . 15 1 1 A 86 86 ASN C C 86 174.453 173.448 1.005 1 1 872 . 15 1 1 A 87 87 TYR N N 87 122.992 123.392 -0.400 1 1 873 . 15 1 1 A 87 87 TYR H H 87 9.369 8.843 0.526 1 1 874 . 15 1 1 A 87 87 TYR CA C 87 56.366 56.023 0.343 1 1 875 . 15 1 1 A 87 87 TYR HA H 87 5.140 5.372 -0.232 1 1 876 . 15 1 1 A 87 87 TYR CB C 87 40.267 40.965 -0.698 1 1 886 . 15 1 1 A 87 87 TYR C C 87 174.332 174.736 -0.404 1 1 888 . 15 1 1 A 88 88 LEU N N 88 124.720 124.646 0.074 1 1 889 . 15 1 1 A 88 88 LEU H H 88 9.306 8.728 0.578 1 1 890 . 15 1 1 A 88 88 LEU CA C 88 53.426 53.564 -0.138 1 1 891 . 15 1 1 A 88 88 LEU HA H 88 5.253 5.482 -0.229 1 1 892 . 15 1 1 A 88 88 LEU CB C 88 44.487 45.399 -0.912 1 1 904 . 15 1 1 A 88 88 LEU C C 88 177.074 174.587 2.487 1 1 906 . 15 1 1 A 89 89 ILE N N 89 130.469 126.862 3.607 1 1 907 . 15 1 1 A 89 89 ILE H H 89 9.807 8.700 1.107 1 1 908 . 15 1 1 A 89 89 ILE CA C 89 60.792 60.425 0.367 1 1 909 . 15 1 1 A 89 89 ILE HA H 89 4.851 4.803 0.048 1 1 910 . 15 1 1 A 89 89 ILE CB C 89 39.662 40.377 -0.715 1 1 922 . 15 1 1 A 89 89 ILE C C 89 175.605 174.643 0.962 1 1 924 . 15 1 1 A 90 90 SER N N 90 123.845 121.732 2.113 1 1 925 . 15 1 1 A 90 90 SER H H 90 9.540 8.821 0.719 1 1 926 . 15 1 1 A 90 90 SER CA C 90 58.036 56.506 1.530 1 1 927 . 15 1 1 A 90 90 SER HA H 90 5.199 5.472 -0.273 1 1 928 . 15 1 1 A 90 90 SER CB C 90 64.133 64.831 -0.698 1 1 930 . 15 1 1 A 90 90 SER C C 90 173.566 173.729 -0.163 1 1 932 . 15 1 1 A 91 91 VAL N N 91 128.427 125.750 2.677 1 1 933 . 15 1 1 A 91 91 VAL H H 91 9.918 9.120 0.798 1 1 934 . 15 1 1 A 91 91 VAL CA C 91 61.447 61.403 0.044 1 1 935 . 15 1 1 A 91 91 VAL HA H 91 4.837 4.651 0.186 1 1 936 . 15 1 1 A 91 91 VAL CB C 91 33.761 33.459 0.302 1 1 946 . 15 1 1 A 91 91 VAL C C 91 173.296 174.767 -1.471 1 1 947 . 15 1 1 A 92 92 LYS N N 92 125.779 127.378 -1.599 1 1 948 . 15 1 1 A 92 92 LYS H H 92 8.892 9.006 -0.114 1 1 949 . 15 1 1 A 92 92 LYS CA C 92 54.468 54.994 -0.526 1 1 950 . 15 1 1 A 92 92 LYS HA H 92 5.065 4.970 0.095 1 1 951 . 15 1 1 A 92 92 LYS CB C 92 36.106 33.837 2.269 1 1 959 . 15 1 1 A 92 92 LYS C C 92 175.189 174.503 0.686 1 1 964 . 15 1 1 A 93 93 TYR N N 93 120.251 125.971 -5.720 1 1 965 . 15 1 1 A 93 93 TYR H H 93 8.061 9.047 -0.986 1 1 966 . 15 1 1 A 93 93 TYR CA C 93 56.884 56.972 -0.088 1 1 967 . 15 1 1 A 93 93 TYR HA H 93 5.522 4.979 0.543 1 1 968 . 15 1 1 A 93 93 TYR CB C 93 44.120 41.211 2.909 1 1 978 . 15 1 1 A 93 93 TYR C C 93 175.517 176.145 -0.628 1 1 980 . 15 1 1 A 94 94 GLY N N 94 114.148 114.913 -0.765 1 1 981 . 15 1 1 A 94 94 GLY H H 94 8.274 8.390 -0.116 1 1 982 . 15 1 1 A 94 94 GLY CA C 94 45.959 45.190 0.769 1 1 983 . 15 1 1 A 94 94 GLY HA3 H 94 3.705 3.686 0.019 1 1 984 . 15 1 1 A 94 94 GLY C C 94 173.595 173.950 -0.355 1 1 985 . 15 1 1 A 94 94 GLY HA2 H 94 3.877 3.637 0.240 1 1 986 . 15 1 1 A 95 95 GLY N N 95 107.010 107.427 -0.417 1 1 987 . 15 1 1 A 95 95 GLY H H 95 7.452 7.845 -0.393 1 1 988 . 15 1 1 A 95 95 GLY CA C 95 43.954 44.446 -0.492 1 1 989 . 15 1 1 A 95 95 GLY HA3 H 95 3.618 4.071 -0.453 1 1 990 . 15 1 1 A 95 95 GLY C C 95 172.825 174.501 -1.676 1 1 991 . 15 1 1 A 95 95 GLY HA2 H 95 4.507 4.070 0.437 1 1 992 . 15 1 1 A 96 96 PRO CA C 96 63.221 63.656 -0.435 1 1 993 . 15 1 1 A 96 96 PRO HA H 96 4.413 4.500 -0.087 1 1 994 . 15 1 1 A 96 96 PRO CB C 96 30.955 31.695 -0.740 1 1 1000 . 15 1 1 A 96 96 PRO C C 96 175.901 176.263 -0.362 1 1 1004 . 15 1 1 A 97 97 ASN N N 97 119.942 118.146 1.796 1 1 1005 . 15 1 1 A 97 97 ASN H H 97 8.172 8.144 0.028 1 1 1006 . 15 1 1 A 97 97 ASN CA C 97 52.914 52.700 0.214 1 1 1007 . 15 1 1 A 97 97 ASN HA H 97 4.864 4.762 0.102 1 1 1008 . 15 1 1 A 97 97 ASN CB C 97 39.806 38.995 0.811 1 1 1013 . 15 1 1 A 97 97 ASN C C 97 174.285 174.832 -0.547 1 1 1015 . 15 1 1 A 98 98 HIS N N 98 121.803 123.144 -1.341 1 1 1016 . 15 1 1 A 98 98 HIS H H 98 8.456 8.651 -0.195 1 1 1017 . 15 1 1 A 98 98 HIS CA C 98 58.023 55.292 2.731 1 1 1018 . 15 1 1 A 98 98 HIS HA H 98 4.475 4.625 -0.150 1 1 1019 . 15 1 1 A 98 98 HIS CB C 98 33.382 30.861 2.521 1 1 1025 . 15 1 1 A 98 98 HIS C C 98 177.938 175.176 2.762 1 1 1027 . 15 1 1 A 99 99 ILE N N 99 115.599 116.966 -1.367 1 1 1028 . 15 1 1 A 99 99 ILE H H 99 8.237 8.273 -0.036 1 1 1029 . 15 1 1 A 99 99 ILE CA C 99 60.895 60.197 0.698 1 1 1030 . 15 1 1 A 99 99 ILE HA H 99 4.545 4.227 0.318 1 1 1031 . 15 1 1 A 99 99 ILE CB C 99 38.675 39.484 -0.809 1 1 1043 . 15 1 1 A 99 99 ILE C C 99 176.165 175.881 0.284 1 1 1045 . 15 1 1 A 100 100 VAL H H 100 8.389 8.533 -0.144 1 1 1046 . 15 1 1 A 100 100 VAL CA C 100 65.835 65.572 0.263 1 1 1047 . 15 1 1 A 100 100 VAL HA H 100 3.673 3.594 0.079 1 1 1048 . 15 1 1 A 100 100 VAL CB C 100 31.169 31.455 -0.286 1 1 1058 . 15 1 1 A 101 101 GLY N N 101 116.014 115.713 0.301 1 1 1059 . 15 1 1 A 101 101 GLY H H 101 8.297 8.929 -0.632 1 1 1060 . 15 1 1 A 101 101 GLY CA C 101 44.626 45.261 -0.635 1 1 1061 . 15 1 1 A 101 101 GLY HA3 H 101 3.227 4.129 -0.902 1 1 1062 . 15 1 1 A 101 101 GLY C C 101 171.863 173.913 -2.050 1 1 1063 . 15 1 1 A 101 101 GLY HA2 H 101 4.207 4.015 0.192 1 1 1064 . 15 1 1 A 102 102 SER N N 102 111.977 115.306 -3.329 1 1 1065 . 15 1 1 A 102 102 SER H H 102 7.304 7.564 -0.260 1 1 1066 . 15 1 1 A 102 102 SER CA C 102 54.570 56.452 -1.882 1 1 1067 . 15 1 1 A 102 102 SER HA H 102 3.915 3.504 0.411 1 1 1068 . 15 1 1 A 102 102 SER CB C 102 62.569 63.471 -0.902 1 1 1071 . 15 1 1 A 103 103 PRO CA C 103 62.215 62.228 -0.013 1 1 1072 . 15 1 1 A 103 103 PRO HA H 103 5.475 4.413 1.062 1 1 1073 . 15 1 1 A 103 103 PRO CB C 103 33.552 32.520 1.032 1 1 1079 . 15 1 1 A 103 103 PRO C C 103 175.646 175.607 0.039 1 1 1083 . 15 1 1 A 104 104 PHE N N 104 123.291 120.824 2.467 1 1 1084 . 15 1 1 A 104 104 PHE H H 104 9.465 8.390 1.075 1 1 1085 . 15 1 1 A 104 104 PHE CA C 104 57.015 57.440 -0.425 1 1 1086 . 15 1 1 A 104 104 PHE HA H 104 4.531 4.854 -0.323 1 1 1087 . 15 1 1 A 104 104 PHE CB C 104 40.607 40.713 -0.106 1 1 1099 . 15 1 1 A 104 104 PHE C C 104 175.305 175.644 -0.339 1 1 1101 . 15 1 1 A 105 105 LYS N N 105 123.989 122.276 1.713 1 1 1102 . 15 1 1 A 105 105 LYS H H 105 8.712 8.793 -0.081 1 1 1103 . 15 1 1 A 105 105 LYS CA C 105 55.868 55.236 0.632 1 1 1104 . 15 1 1 A 105 105 LYS HA H 105 4.913 4.785 0.128 1 1 1105 . 15 1 1 A 105 105 LYS CB C 105 32.762 33.104 -0.342 1 1 1113 . 15 1 1 A 105 105 LYS C C 105 174.065 175.415 -1.350 1 1 1118 . 15 1 1 A 106 106 ALA N N 106 129.654 128.029 1.625 1 1 1119 . 15 1 1 A 106 106 ALA H H 106 8.964 8.649 0.315 1 1 1120 . 15 1 1 A 106 106 ALA CA C 106 50.325 50.429 -0.104 1 1 1121 . 15 1 1 A 106 106 ALA HA H 106 4.497 5.231 -0.734 1 1 1122 . 15 1 1 A 106 106 ALA CB C 106 20.496 20.372 0.124 1 1 1126 . 15 1 1 A 106 106 ALA C C 106 176.111 176.090 0.021 1 1 1127 . 15 1 1 A 107 107 LYS N N 107 124.155 124.418 -0.263 1 1 1128 . 15 1 1 A 107 107 LYS H H 107 7.955 8.652 -0.697 1 1 1129 . 15 1 1 A 107 107 LYS CA C 107 55.904 55.570 0.334 1 1 1130 . 15 1 1 A 107 107 LYS HA H 107 4.950 4.759 0.191 1 1 1131 . 15 1 1 A 107 107 LYS CB C 107 33.755 33.592 0.163 1 1 1139 . 15 1 1 A 107 107 LYS C C 107 175.350 175.195 0.155 1 1 1144 . 15 1 1 A 108 108 VAL N N 108 128.726 128.480 0.246 1 1 1145 . 15 1 1 A 108 108 VAL H H 108 9.373 8.471 0.902 1 1 1146 . 15 1 1 A 108 108 VAL CA C 108 60.804 61.962 -1.158 1 1 1147 . 15 1 1 A 108 108 VAL HA H 108 4.851 4.519 0.332 1 1 1148 . 15 1 1 A 108 108 VAL CB C 108 33.175 31.906 1.269 1 1 1158 . 15 1 1 A 108 108 VAL C C 108 177.017 175.770 1.247 1 1 1159 . 15 1 1 A 109 109 THR N N 109 121.067 117.135 3.932 1 1 1160 . 15 1 1 A 109 109 THR H H 109 8.527 8.485 0.042 1 1 1161 . 15 1 1 A 109 109 THR CA C 109 60.138 59.542 0.596 1 1 1162 . 15 1 1 A 109 109 THR HA H 109 4.864 5.098 -0.234 1 1 1163 . 15 1 1 A 109 109 THR CB C 109 70.960 71.596 -0.636 1 1 1169 . 15 1 1 A 109 109 THR C C 109 173.130 173.479 -0.349 1 1 1170 . 15 1 1 A 110 110 GLY N N 110 106.893 108.113 -1.220 1 1 1171 . 15 1 1 A 110 110 GLY H H 110 8.404 8.327 0.077 1 1 1172 . 15 1 1 A 110 110 GLY CA C 110 43.888 44.867 -0.979 1 1 1173 . 15 1 1 A 110 110 GLY HA3 H 110 3.851 4.114 -0.263 1 1 1174 . 15 1 1 A 110 110 GLY C C 110 173.870 172.507 1.363 1 1 1175 . 15 1 1 A 110 110 GLY HA2 H 110 4.773 4.111 0.662 1 1 1176 . 15 1 1 A 111 111 GLN N N 111 116.999 119.600 -2.601 1 1 1177 . 15 1 1 A 111 111 GLN H H 111 8.234 8.353 -0.119 1 1 1178 . 15 1 1 A 111 111 GLN CA C 111 55.230 56.345 -1.115 1 1 1179 . 15 1 1 A 111 111 GLN HA H 111 4.269 4.269 0.000 1 1 1180 . 15 1 1 A 111 111 GLN CB C 111 30.118 29.099 1.019 1 1 1187 . 15 1 1 A 111 111 GLN C C 111 176.550 176.237 0.313 1 1 1190 . 15 1 1 A 112 112 ARG N N 112 122.131 123.306 -1.175 1 1 1191 . 15 1 1 A 112 112 ARG H H 112 8.832 8.526 0.306 1 1 1192 . 15 1 1 A 112 112 ARG CA C 112 57.384 56.040 1.344 1 1 1193 . 15 1 1 A 112 112 ARG HA H 112 4.300 4.295 0.005 1 1 1194 . 15 1 1 A 112 112 ARG CB C 112 30.059 30.195 -0.136 1 1 1200 . 15 1 1 A 112 112 ARG C C 112 175.836 176.202 -0.366 1 1 1204 . 15 1 1 A 113 113 LEU N N 113 126.764 127.684 -0.920 1 1 1205 . 15 1 1 A 113 113 LEU H H 113 8.424 8.575 -0.151 1 1 1206 . 15 1 1 A 113 113 LEU CA C 113 54.919 55.770 -0.851 1 1 1207 . 15 1 1 A 113 113 LEU HA H 113 4.517 4.323 0.194 1 1 1208 . 15 1 1 A 113 113 LEU CB C 113 42.706 42.157 0.549 1 1 1220 . 15 1 1 A 113 113 LEU C C 113 176.521 176.605 -0.084 1 1 1222 . 15 1 1 A 116 116 PRO CA C 116 63.729 62.355 1.374 1 1 1223 . 15 1 1 A 116 116 PRO HA H 116 4.436 4.508 -0.072 1 1 1224 . 15 1 1 A 116 116 PRO CB C 116 32.182 33.071 -0.889 1 1 1233 . 15 1 1 A 117 117 GLY N N 117 110.092 107.231 2.861 1 1 1234 . 15 1 1 A 117 117 GLY H H 117 8.493 8.345 0.148 1 1 1235 . 15 1 1 A 118 118 SER CA C 118 58.420 57.371 1.049 1 1 1236 . 15 1 1 A 118 118 SER HA H 118 4.454 4.753 -0.299 1 1 1237 . 15 1 1 A 118 118 SER CB C 118 64.014 65.521 -1.507 1 1 1239 . 15 1 1 A 118 118 SER C C 118 174.495 174.598 -0.103 1 1 1241 . 15 1 1 A 119 119 ALA N N 119 125.244 124.875 0.369 1 1 1242 . 15 1 1 A 119 119 ALA H H 119 8.365 8.837 -0.472 1 1 1243 . 15 1 1 A 119 119 ALA CA C 119 52.697 55.525 -2.828 1 1 1244 . 15 1 1 A 119 119 ALA HA H 119 4.333 4.026 0.307 1 1 1245 . 15 1 1 A 119 119 ALA CB C 119 19.378 18.184 1.194 1 1 1249 . 15 1 1 A 119 119 ALA C C 119 177.362 177.712 -0.350 1 1 1250 . 15 1 1 A 120 120 ASN N N 120 117.122 116.001 1.121 1 1 1251 . 15 1 1 A 120 120 ASN H H 120 8.311 8.173 0.138 1 1 1252 . 15 1 1 A 120 120 ASN CA C 120 53.198 53.909 -0.711 1 1 1253 . 15 1 1 A 120 120 ASN HA H 120 4.659 4.359 0.300 1 1 1254 . 15 1 1 A 120 120 ASN CB C 120 38.852 37.088 1.764 1 1 1259 . 15 1 1 A 120 120 ASN C C 120 175.112 173.993 1.119 1 1 1261 . 15 1 1 A 122 122 THR CA C 122 61.947 60.114 1.833 1 1 1262 . 15 1 1 A 122 122 THR HA H 122 4.197 5.193 -0.996 1 1 1263 . 15 1 1 A 122 122 THR CB C 122 69.949 71.092 -1.143 1 1 1 . 16 1 1 A 9 9 LYS N N 9 120.806 118.725 2.081 1 1 2 . 16 1 1 A 9 9 LYS H H 9 8.548 8.721 -0.173 1 1 3 . 16 1 1 A 9 9 LYS CA C 9 56.358 55.995 0.363 1 1 4 . 16 1 1 A 9 9 LYS HA H 9 4.261 4.587 -0.326 1 1 5 . 16 1 1 A 9 9 LYS CB C 9 32.673 32.140 0.533 1 1 17 . 16 1 1 A 10 10 VAL HA H 10 4.307 4.796 -0.489 1 1 18 . 16 1 1 A 10 10 VAL CB C 10 34.845 35.895 -1.050 1 1 24 . 16 1 1 A 11 11 ARG N N 11 125.757 127.238 -1.481 1 1 25 . 16 1 1 A 11 11 ARG H H 11 8.546 8.709 -0.163 1 1 26 . 16 1 1 A 11 11 ARG CA C 11 55.966 55.567 0.399 1 1 27 . 16 1 1 A 11 11 ARG HA H 11 4.463 4.706 -0.243 1 1 28 . 16 1 1 A 11 11 ARG CB C 11 30.834 30.561 0.273 1 1 37 . 16 1 1 A 12 12 VAL CA C 12 62.370 62.211 0.159 1 1 38 . 16 1 1 A 12 12 VAL HA H 12 4.205 4.127 0.078 1 1 39 . 16 1 1 A 12 12 VAL CB C 12 32.571 31.943 0.628 1 1 48 . 16 1 1 A 13 13 GLY N N 13 113.294 115.210 -1.916 1 1 49 . 16 1 1 A 13 13 GLY H H 13 8.608 8.443 0.165 1 1 50 . 16 1 1 A 13 13 GLY CA C 13 44.973 45.586 -0.613 1 1 51 . 16 1 1 A 13 13 GLY HA3 H 13 4.024 4.198 -0.174 1 1 52 . 16 1 1 A 13 13 GLY HA2 H 13 3.891 4.198 -0.307 1 1 53 . 16 1 1 A 14 14 GLU N N 14 120.644 120.437 0.207 1 1 54 . 16 1 1 A 14 14 GLU H H 14 8.139 8.009 0.130 1 1 55 . 16 1 1 A 14 14 GLU CA C 14 54.101 53.270 0.831 1 1 56 . 16 1 1 A 14 14 GLU HA H 14 4.626 4.678 -0.052 1 1 57 . 16 1 1 A 14 14 GLU CB C 14 30.026 30.487 -0.461 1 1 63 . 16 1 1 A 15 15 PRO CA C 15 63.731 63.704 0.027 1 1 64 . 16 1 1 A 15 15 PRO HA H 15 4.319 4.336 -0.017 1 1 65 . 16 1 1 A 15 15 PRO CB C 15 31.974 31.250 0.724 1 1 71 . 16 1 1 A 15 15 PRO C C 15 177.450 176.967 0.483 1 1 75 . 16 1 1 A 16 16 GLY N N 16 109.768 111.756 -1.988 1 1 76 . 16 1 1 A 16 16 GLY H H 16 8.577 8.413 0.164 1 1 77 . 16 1 1 A 16 16 GLY CA C 16 45.424 44.323 1.101 1 1 78 . 16 1 1 A 16 16 GLY HA3 H 16 3.804 4.060 -0.256 1 1 79 . 16 1 1 A 16 16 GLY C C 16 174.160 172.868 1.292 1 1 80 . 16 1 1 A 16 16 GLY HA2 H 16 4.086 4.055 0.031 1 1 81 . 16 1 1 A 17 17 GLN N N 17 119.726 120.188 -0.462 1 1 82 . 16 1 1 A 17 17 GLN H H 17 7.868 8.357 -0.489 1 1 83 . 16 1 1 A 17 17 GLN CA C 17 55.403 55.152 0.251 1 1 84 . 16 1 1 A 17 17 GLN HA H 17 4.389 4.674 -0.285 1 1 85 . 16 1 1 A 17 17 GLN CB C 17 29.894 29.990 -0.096 1 1 92 . 16 1 1 A 17 17 GLN C C 17 175.290 175.732 -0.442 1 1 95 . 16 1 1 A 18 18 ALA N N 18 125.593 127.940 -2.347 1 1 96 . 16 1 1 A 18 18 ALA H H 18 8.469 8.407 0.062 1 1 97 . 16 1 1 A 18 18 ALA CA C 18 52.389 51.773 0.616 1 1 98 . 16 1 1 A 18 18 ALA HA H 18 4.448 4.619 -0.171 1 1 99 . 16 1 1 A 18 18 ALA CB C 18 19.959 19.709 0.250 1 1 103 . 16 1 1 A 18 18 ALA C C 18 177.464 177.685 -0.221 1 1 104 . 16 1 1 A 19 19 GLY N N 19 109.162 108.814 0.348 1 1 105 . 16 1 1 A 19 19 GLY H H 19 8.294 8.798 -0.504 1 1 106 . 16 1 1 A 19 19 GLY CA C 19 45.270 44.903 0.367 1 1 107 . 16 1 1 A 19 19 GLY HA3 H 19 3.853 4.287 -0.434 1 1 108 . 16 1 1 A 19 19 GLY C C 19 173.012 172.030 0.982 1 1 109 . 16 1 1 A 19 19 GLY HA2 H 19 4.207 4.272 -0.065 1 1 110 . 16 1 1 A 20 20 ASN N N 20 118.861 123.956 -5.095 1 1 111 . 16 1 1 A 20 20 ASN H H 20 8.479 8.659 -0.180 1 1 112 . 16 1 1 A 20 20 ASN CA C 20 50.128 50.177 -0.049 1 1 113 . 16 1 1 A 20 20 ASN HA H 20 5.236 5.036 0.200 1 1 114 . 16 1 1 A 20 20 ASN CB C 20 39.697 40.028 -0.331 1 1 119 . 16 1 1 A 20 20 ASN C C 20 174.482 175.018 -0.536 1 1 121 . 16 1 1 A 21 21 PRO CA C 21 64.588 65.454 -0.866 1 1 122 . 16 1 1 A 21 21 PRO HA H 21 4.312 4.351 -0.039 1 1 123 . 16 1 1 A 21 21 PRO CB C 21 31.950 32.008 -0.058 1 1 129 . 16 1 1 A 21 21 PRO C C 21 177.141 178.317 -1.176 1 1 133 . 16 1 1 A 22 22 ALA N N 22 118.898 118.635 0.263 1 1 134 . 16 1 1 A 22 22 ALA H H 22 7.918 8.180 -0.262 1 1 135 . 16 1 1 A 22 22 ALA CA C 22 53.499 55.359 -1.860 1 1 136 . 16 1 1 A 22 22 ALA HA H 22 4.386 4.003 0.383 1 1 137 . 16 1 1 A 22 22 ALA CB C 22 18.288 18.549 -0.261 1 1 141 . 16 1 1 A 22 22 ALA C C 22 178.115 180.218 -2.103 1 1 142 . 16 1 1 A 23 23 LEU N N 23 116.219 117.603 -1.384 1 1 143 . 16 1 1 A 23 23 LEU H H 23 7.696 8.028 -0.332 1 1 144 . 16 1 1 A 23 23 LEU CA C 23 53.851 57.974 -4.123 1 1 145 . 16 1 1 A 23 23 LEU HA H 23 4.475 3.879 0.596 1 1 146 . 16 1 1 A 23 23 LEU CB C 23 41.958 41.655 0.303 1 1 158 . 16 1 1 A 23 23 LEU C C 23 176.653 178.058 -1.405 1 1 160 . 16 1 1 A 24 24 VAL N N 24 122.233 119.439 2.794 1 1 161 . 16 1 1 A 24 24 VAL H H 24 7.207 7.552 -0.345 1 1 162 . 16 1 1 A 24 24 VAL CA C 24 62.768 63.330 -0.562 1 1 163 . 16 1 1 A 24 24 VAL HA H 24 4.081 3.991 0.090 1 1 164 . 16 1 1 A 24 24 VAL CB C 24 32.408 31.305 1.103 1 1 174 . 16 1 1 A 24 24 VAL C C 24 174.702 176.095 -1.393 1 1 175 . 16 1 1 A 25 25 SER N N 25 120.181 123.773 -3.592 1 1 176 . 16 1 1 A 25 25 SER H H 25 8.109 8.560 -0.451 1 1 177 . 16 1 1 A 25 25 SER CA C 25 56.489 57.799 -1.310 1 1 178 . 16 1 1 A 25 25 SER HA H 25 5.159 5.468 -0.309 1 1 179 . 16 1 1 A 25 25 SER CB C 25 66.443 66.762 -0.319 1 1 181 . 16 1 1 A 25 25 SER C C 25 172.102 172.417 -0.315 1 1 183 . 16 1 1 A 26 26 ALA N N 26 124.850 123.789 1.061 1 1 184 . 16 1 1 A 26 26 ALA H H 26 8.839 8.814 0.025 1 1 185 . 16 1 1 A 26 26 ALA CA C 26 50.395 50.956 -0.561 1 1 186 . 16 1 1 A 26 26 ALA HA H 26 5.796 5.173 0.623 1 1 187 . 16 1 1 A 26 26 ALA CB C 26 22.868 22.465 0.403 1 1 191 . 16 1 1 A 26 26 ALA C C 26 175.694 175.249 0.445 1 1 192 . 16 1 1 A 27 27 TYR N N 27 117.541 117.976 -0.435 1 1 193 . 16 1 1 A 27 27 TYR H H 27 8.831 8.530 0.301 1 1 194 . 16 1 1 A 27 27 TYR CA C 27 56.610 55.937 0.673 1 1 195 . 16 1 1 A 27 27 TYR HA H 27 4.851 5.305 -0.454 1 1 196 . 16 1 1 A 27 27 TYR CB C 27 39.737 41.587 -1.850 1 1 206 . 16 1 1 A 27 27 TYR C C 27 173.299 174.007 -0.708 1 1 208 . 16 1 1 A 28 28 GLY N N 28 108.355 106.773 1.582 1 1 209 . 16 1 1 A 28 28 GLY H H 28 8.788 8.507 0.281 1 1 210 . 16 1 1 A 28 28 GLY CA C 28 44.056 45.424 -1.368 1 1 211 . 16 1 1 A 28 28 GLY HA3 H 28 4.304 4.410 -0.106 1 1 212 . 16 1 1 A 28 28 GLY C C 28 176.208 174.162 2.046 1 1 213 . 16 1 1 A 28 28 GLY HA2 H 28 5.047 4.401 0.646 1 1 214 . 16 1 1 A 29 29 THR N N 29 115.659 115.708 -0.049 1 1 215 . 16 1 1 A 29 29 THR H H 29 9.027 8.034 0.993 1 1 216 . 16 1 1 A 29 29 THR CA C 29 65.419 63.993 1.426 1 1 217 . 16 1 1 A 29 29 THR HA H 29 4.171 4.412 -0.241 1 1 218 . 16 1 1 A 29 29 THR CB C 29 68.659 69.351 -0.692 1 1 224 . 16 1 1 A 29 29 THR C C 29 178.141 177.255 0.886 1 1 225 . 16 1 1 A 30 30 GLY N N 30 107.400 108.270 -0.870 1 1 226 . 16 1 1 A 30 30 GLY H H 30 8.747 8.711 0.036 1 1 227 . 16 1 1 A 30 30 GLY CA C 30 46.719 47.125 -0.406 1 1 228 . 16 1 1 A 30 30 GLY HA3 H 30 3.556 3.862 -0.306 1 1 229 . 16 1 1 A 30 30 GLY C C 30 173.896 176.151 -2.255 1 1 230 . 16 1 1 A 30 30 GLY HA2 H 30 4.483 3.671 0.812 1 1 231 . 16 1 1 A 31 31 LEU N N 31 118.075 122.852 -4.777 1 1 232 . 16 1 1 A 31 31 LEU H H 31 7.389 8.120 -0.731 1 1 233 . 16 1 1 A 31 31 LEU CA C 31 55.799 57.575 -1.776 1 1 234 . 16 1 1 A 31 31 LEU HA H 31 3.778 4.028 -0.250 1 1 235 . 16 1 1 A 31 31 LEU CB C 31 41.564 41.452 0.112 1 1 247 . 16 1 1 A 31 31 LEU C C 31 176.045 179.016 -2.971 1 1 249 . 16 1 1 A 32 32 GLU N N 32 112.872 118.127 -5.255 1 1 250 . 16 1 1 A 32 32 GLU H H 32 7.509 7.868 -0.359 1 1 251 . 16 1 1 A 32 32 GLU CA C 32 56.330 58.783 -2.453 1 1 252 . 16 1 1 A 32 32 GLU HA H 32 4.717 4.082 0.635 1 1 253 . 16 1 1 A 32 32 GLU CB C 32 31.924 30.285 1.639 1 1 257 . 16 1 1 A 32 32 GLU C C 32 177.958 176.701 1.257 1 1 260 . 16 1 1 A 33 33 GLY N N 33 107.880 104.476 3.404 1 1 261 . 16 1 1 A 33 33 GLY H H 33 7.822 6.842 0.980 1 1 262 . 16 1 1 A 33 33 GLY CA C 33 45.568 45.617 -0.049 1 1 263 . 16 1 1 A 33 33 GLY HA3 H 33 4.125 4.106 0.019 1 1 264 . 16 1 1 A 33 33 GLY C C 33 172.046 171.926 0.120 1 1 265 . 16 1 1 A 33 33 GLY HA2 H 33 4.661 4.092 0.569 1 1 266 . 16 1 1 A 34 34 GLY N N 34 105.841 108.504 -2.663 1 1 267 . 16 1 1 A 34 34 GLY H H 34 7.740 8.862 -1.122 1 1 268 . 16 1 1 A 34 34 GLY CA C 34 45.215 45.194 0.021 1 1 269 . 16 1 1 A 34 34 GLY HA3 H 34 3.988 4.193 -0.205 1 1 270 . 16 1 1 A 34 34 GLY C C 34 171.280 172.947 -1.667 1 1 271 . 16 1 1 A 34 34 GLY HA2 H 34 4.030 4.178 -0.148 1 1 272 . 16 1 1 A 35 35 THR N N 35 119.173 115.857 3.316 1 1 273 . 16 1 1 A 35 35 THR H H 35 9.363 8.718 0.645 1 1 274 . 16 1 1 A 35 35 THR CA C 35 60.844 60.835 0.009 1 1 275 . 16 1 1 A 35 35 THR HA H 35 5.177 5.079 0.098 1 1 276 . 16 1 1 A 35 35 THR CB C 35 72.095 70.279 1.816 1 1 282 . 16 1 1 A 35 35 THR C C 35 173.460 173.768 -0.308 1 1 283 . 16 1 1 A 36 36 THR N N 36 116.864 121.740 -4.876 1 1 284 . 16 1 1 A 36 36 THR H H 36 8.425 8.551 -0.126 1 1 285 . 16 1 1 A 36 36 THR CA C 36 62.841 64.832 -1.991 1 1 286 . 16 1 1 A 36 36 THR HA H 36 3.701 3.926 -0.225 1 1 287 . 16 1 1 A 36 36 THR CB C 36 68.447 68.392 0.055 1 1 293 . 16 1 1 A 36 36 THR C C 36 175.396 175.776 -0.380 1 1 294 . 16 1 1 A 37 37 GLY N N 37 107.461 114.284 -6.823 1 1 295 . 16 1 1 A 37 37 GLY H H 37 8.548 8.427 0.121 1 1 296 . 16 1 1 A 37 37 GLY CA C 37 45.434 44.988 0.446 1 1 297 . 16 1 1 A 37 37 GLY HA3 H 37 3.386 3.969 -0.583 1 1 298 . 16 1 1 A 37 37 GLY C C 37 172.598 174.293 -1.695 1 1 299 . 16 1 1 A 37 37 GLY HA2 H 37 4.024 3.968 0.056 1 1 300 . 16 1 1 A 38 38 ILE N N 38 122.313 121.532 0.781 1 1 301 . 16 1 1 A 38 38 ILE H H 38 7.871 7.965 -0.094 1 1 302 . 16 1 1 A 38 38 ILE CA C 38 58.566 59.926 -1.360 1 1 303 . 16 1 1 A 38 38 ILE HA H 38 4.274 4.505 -0.231 1 1 304 . 16 1 1 A 38 38 ILE CB C 38 38.476 39.654 -1.178 1 1 316 . 16 1 1 A 38 38 ILE C C 38 175.081 174.620 0.461 1 1 318 . 16 1 1 A 39 39 GLN N N 39 127.942 124.540 3.402 1 1 319 . 16 1 1 A 39 39 GLN H H 39 8.487 8.710 -0.223 1 1 320 . 16 1 1 A 39 39 GLN CA C 39 57.394 53.886 3.508 1 1 321 . 16 1 1 A 39 39 GLN HA H 39 4.312 4.850 -0.538 1 1 322 . 16 1 1 A 39 39 GLN CB C 39 31.057 31.772 -0.715 1 1 329 . 16 1 1 A 39 39 GLN C C 39 176.011 174.659 1.352 1 1 332 . 16 1 1 A 40 40 SER N N 40 125.784 123.958 1.826 1 1 333 . 16 1 1 A 40 40 SER H H 40 9.167 8.220 0.947 1 1 334 . 16 1 1 A 40 40 SER CA C 40 58.188 57.309 0.879 1 1 335 . 16 1 1 A 40 40 SER HA H 40 4.633 5.224 -0.591 1 1 336 . 16 1 1 A 40 40 SER CB C 40 66.149 65.439 0.710 1 1 338 . 16 1 1 A 40 40 SER C C 40 172.625 173.025 -0.400 1 1 340 . 16 1 1 A 41 41 GLU N N 41 117.679 119.421 -1.742 1 1 341 . 16 1 1 A 41 41 GLU H H 41 8.773 9.260 -0.487 1 1 342 . 16 1 1 A 41 41 GLU CA C 41 54.060 54.692 -0.632 1 1 343 . 16 1 1 A 41 41 GLU HA H 41 5.629 5.460 0.169 1 1 344 . 16 1 1 A 41 41 GLU CB C 41 34.053 33.207 0.846 1 1 348 . 16 1 1 A 41 41 GLU C C 41 175.607 175.181 0.426 1 1 351 . 16 1 1 A 42 42 PHE N N 42 116.557 117.818 -1.261 1 1 352 . 16 1 1 A 42 42 PHE H H 42 8.753 8.360 0.393 1 1 353 . 16 1 1 A 42 42 PHE CA C 42 56.847 55.365 1.482 1 1 354 . 16 1 1 A 42 42 PHE HA H 42 4.743 5.723 -0.980 1 1 355 . 16 1 1 A 42 42 PHE CB C 42 40.908 42.316 -1.408 1 1 367 . 16 1 1 A 42 42 PHE C C 42 170.204 173.295 -3.091 1 1 369 . 16 1 1 A 43 43 PHE N N 43 118.643 121.238 -2.595 1 1 370 . 16 1 1 A 43 43 PHE H H 43 9.234 8.687 0.547 1 1 371 . 16 1 1 A 43 43 PHE CA C 43 57.292 57.665 -0.373 1 1 372 . 16 1 1 A 43 43 PHE HA H 43 5.041 5.003 0.038 1 1 373 . 16 1 1 A 43 43 PHE CB C 43 42.583 40.424 2.159 1 1 385 . 16 1 1 A 43 43 PHE C C 43 174.177 175.595 -1.418 1 1 387 . 16 1 1 A 44 44 ILE N N 44 120.124 120.373 -0.249 1 1 388 . 16 1 1 A 44 44 ILE H H 44 8.876 8.714 0.162 1 1 389 . 16 1 1 A 44 44 ILE CA C 44 59.698 60.480 -0.782 1 1 390 . 16 1 1 A 44 44 ILE HA H 44 4.717 4.911 -0.194 1 1 391 . 16 1 1 A 44 44 ILE CB C 44 40.591 40.264 0.327 1 1 403 . 16 1 1 A 44 44 ILE C C 44 174.483 175.477 -0.994 1 1 405 . 16 1 1 A 45 45 ASN N N 45 127.058 126.643 0.415 1 1 406 . 16 1 1 A 45 45 ASN H H 45 9.553 8.829 0.724 1 1 407 . 16 1 1 A 45 45 ASN CA C 45 52.099 52.995 -0.896 1 1 408 . 16 1 1 A 45 45 ASN HA H 45 5.380 4.938 0.442 1 1 409 . 16 1 1 A 45 45 ASN CB C 45 39.596 38.545 1.051 1 1 414 . 16 1 1 A 45 45 ASN C C 45 176.821 175.475 1.346 1 1 416 . 16 1 1 A 46 46 THR H H 46 9.223 8.544 0.679 1 1 417 . 16 1 1 A 46 46 THR CA C 46 61.534 60.888 0.646 1 1 418 . 16 1 1 A 46 46 THR HA H 46 4.368 4.616 -0.248 1 1 419 . 16 1 1 A 46 46 THR CB C 46 68.352 69.743 -1.391 1 1 425 . 16 1 1 A 46 46 THR C C 46 176.816 175.115 1.701 1 1 426 . 16 1 1 A 47 47 THR N N 47 116.732 114.741 1.991 1 1 427 . 16 1 1 A 47 47 THR H H 47 8.368 8.314 0.054 1 1 428 . 16 1 1 A 47 47 THR CA C 47 65.916 65.487 0.429 1 1 429 . 16 1 1 A 47 47 THR HA H 47 4.032 4.064 -0.032 1 1 430 . 16 1 1 A 47 47 THR CB C 47 69.870 68.622 1.248 1 1 436 . 16 1 1 A 47 47 THR C C 47 176.865 176.588 0.277 1 1 437 . 16 1 1 A 48 48 ARG N N 48 119.205 121.787 -2.582 1 1 438 . 16 1 1 A 48 48 ARG H H 48 8.785 7.659 1.126 1 1 439 . 16 1 1 A 48 48 ARG CA C 48 56.273 58.692 -2.419 1 1 440 . 16 1 1 A 48 48 ARG HA H 48 4.488 4.179 0.309 1 1 441 . 16 1 1 A 48 48 ARG CB C 48 30.862 30.448 0.414 1 1 447 . 16 1 1 A 48 48 ARG C C 48 176.314 178.987 -2.673 1 1 451 . 16 1 1 A 49 49 ALA N N 49 120.807 119.944 0.863 1 1 452 . 16 1 1 A 49 49 ALA H H 49 7.440 7.870 -0.430 1 1 453 . 16 1 1 A 49 49 ALA CA C 49 53.138 53.197 -0.059 1 1 454 . 16 1 1 A 49 49 ALA HA H 49 4.341 4.157 0.184 1 1 455 . 16 1 1 A 49 49 ALA CB C 49 22.427 19.407 3.020 1 1 459 . 16 1 1 A 49 49 ALA C C 49 177.914 178.272 -0.358 1 1 460 . 16 1 1 A 50 50 GLY N N 50 105.941 103.894 2.047 1 1 461 . 16 1 1 A 50 50 GLY H H 50 7.924 7.743 0.181 1 1 462 . 16 1 1 A 50 50 GLY CA C 50 44.229 44.663 -0.434 1 1 463 . 16 1 1 A 50 50 GLY HA3 H 50 4.325 4.078 0.247 1 1 464 . 16 1 1 A 50 50 GLY C C 50 171.089 173.115 -2.026 1 1 465 . 16 1 1 A 50 50 GLY HA2 H 50 3.948 4.078 -0.130 1 1 466 . 16 1 1 A 51 51 PRO CA C 51 63.140 63.189 -0.049 1 1 467 . 16 1 1 A 51 51 PRO HA H 51 4.588 4.412 0.176 1 1 468 . 16 1 1 A 51 51 PRO CB C 51 33.004 33.408 -0.404 1 1 477 . 16 1 1 A 52 52 GLY CA C 52 45.195 45.723 -0.528 1 1 478 . 16 1 1 A 52 52 GLY HA3 H 52 3.275 4.236 -0.961 1 1 479 . 16 1 1 A 52 52 GLY HA2 H 52 3.852 4.236 -0.384 1 1 480 . 16 1 1 A 53 53 THR N N 53 114.003 117.100 -3.097 1 1 481 . 16 1 1 A 53 53 THR H H 53 8.049 8.315 -0.266 1 1 482 . 16 1 1 A 53 53 THR CA C 53 62.352 61.392 0.960 1 1 483 . 16 1 1 A 53 53 THR HA H 53 4.436 4.964 -0.528 1 1 484 . 16 1 1 A 53 53 THR CB C 53 69.631 71.124 -1.493 1 1 490 . 16 1 1 A 54 54 LEU CA C 54 53.891 53.317 0.574 1 1 491 . 16 1 1 A 54 54 LEU HA H 54 5.077 4.821 0.256 1 1 492 . 16 1 1 A 54 54 LEU CB C 54 44.515 43.492 1.023 1 1 503 . 16 1 1 A 55 55 SER N N 55 120.726 121.649 -0.923 1 1 504 . 16 1 1 A 55 55 SER H H 55 8.783 8.574 0.209 1 1 505 . 16 1 1 A 55 55 SER CA C 55 56.249 57.533 -1.284 1 1 506 . 16 1 1 A 55 55 SER HA H 55 5.092 5.143 -0.051 1 1 507 . 16 1 1 A 55 55 SER CB C 55 65.032 65.301 -0.269 1 1 509 . 16 1 1 A 55 55 SER C C 55 173.165 172.835 0.330 1 1 511 . 16 1 1 A 56 56 VAL N N 56 126.234 125.036 1.198 1 1 512 . 16 1 1 A 56 56 VAL H H 56 8.336 8.988 -0.652 1 1 513 . 16 1 1 A 56 56 VAL CA C 56 60.515 60.137 0.378 1 1 514 . 16 1 1 A 56 56 VAL HA H 56 5.134 5.033 0.101 1 1 515 . 16 1 1 A 56 56 VAL CB C 56 34.463 35.130 -0.667 1 1 520 . 16 1 1 A 56 56 VAL C C 56 174.718 173.956 0.762 1 1 521 . 16 1 1 A 57 57 THR N N 57 120.539 123.411 -2.872 1 1 522 . 16 1 1 A 57 57 THR H H 57 8.828 8.550 0.278 1 1 523 . 16 1 1 A 57 57 THR CA C 57 60.580 61.871 -1.291 1 1 524 . 16 1 1 A 57 57 THR HA H 57 5.132 5.100 0.032 1 1 525 . 16 1 1 A 57 57 THR CB C 57 72.187 71.009 1.178 1 1 531 . 16 1 1 A 57 57 THR C C 57 172.970 173.402 -0.432 1 1 532 . 16 1 1 A 58 58 ILE N N 58 123.949 128.292 -4.343 1 1 533 . 16 1 1 A 58 58 ILE H H 58 9.249 8.881 0.368 1 1 534 . 16 1 1 A 58 58 ILE CA C 58 61.297 59.706 1.591 1 1 535 . 16 1 1 A 58 58 ILE HA H 58 5.001 5.482 -0.481 1 1 536 . 16 1 1 A 58 58 ILE CB C 58 39.755 41.216 -1.461 1 1 548 . 16 1 1 A 58 58 ILE C C 58 174.848 174.330 0.518 1 1 550 . 16 1 1 A 59 59 GLU N N 59 129.027 122.331 6.696 1 1 551 . 16 1 1 A 59 59 GLU H H 59 8.966 9.098 -0.132 1 1 552 . 16 1 1 A 59 59 GLU CA C 59 53.911 54.517 -0.606 1 1 553 . 16 1 1 A 59 59 GLU HA H 59 5.427 4.975 0.452 1 1 554 . 16 1 1 A 59 59 GLU CB C 59 33.843 33.197 0.646 1 1 558 . 16 1 1 A 59 59 GLU C C 59 175.342 174.764 0.578 1 1 561 . 16 1 1 A 60 60 GLY N N 60 110.765 107.148 3.617 1 1 562 . 16 1 1 A 60 60 GLY H H 60 8.597 8.245 0.352 1 1 563 . 16 1 1 A 60 60 GLY CA C 60 45.997 44.234 1.763 1 1 564 . 16 1 1 A 60 60 GLY HA3 H 60 3.908 3.750 0.158 1 1 565 . 16 1 1 A 60 60 GLY C C 60 171.205 173.678 -2.473 1 1 566 . 16 1 1 A 60 60 GLY HA2 H 60 3.685 3.066 0.619 1 1 567 . 16 1 1 A 61 61 PRO CA C 61 64.057 64.428 -0.371 1 1 568 . 16 1 1 A 61 61 PRO HA H 61 4.415 4.325 0.090 1 1 569 . 16 1 1 A 61 61 PRO CB C 61 32.143 31.986 0.157 1 1 575 . 16 1 1 A 61 61 PRO C C 61 175.925 176.461 -0.536 1 1 579 . 16 1 1 A 62 62 SER N N 62 108.413 112.304 -3.891 1 1 580 . 16 1 1 A 62 62 SER H H 62 7.144 7.666 -0.522 1 1 581 . 16 1 1 A 62 62 SER CA C 62 57.037 57.122 -0.085 1 1 582 . 16 1 1 A 62 62 SER HA H 62 4.596 4.874 -0.278 1 1 583 . 16 1 1 A 62 62 SER CB C 62 66.522 65.154 1.368 1 1 585 . 16 1 1 A 62 62 SER C C 62 172.446 173.789 -1.343 1 1 587 . 16 1 1 A 63 63 LYS N N 63 122.539 127.026 -4.487 1 1 588 . 16 1 1 A 63 63 LYS H H 63 8.620 8.556 0.064 1 1 589 . 16 1 1 A 63 63 LYS CA C 63 56.407 56.626 -0.219 1 1 590 . 16 1 1 A 63 63 LYS HA H 63 4.267 4.510 -0.243 1 1 591 . 16 1 1 A 63 63 LYS CB C 63 32.576 32.829 -0.253 1 1 596 . 16 1 1 A 63 63 LYS C C 63 176.658 175.897 0.761 1 1 601 . 16 1 1 A 64 64 VAL N N 64 120.278 123.332 -3.054 1 1 602 . 16 1 1 A 64 64 VAL H H 64 8.554 8.799 -0.245 1 1 603 . 16 1 1 A 64 64 VAL CA C 64 60.425 60.708 -0.283 1 1 604 . 16 1 1 A 64 64 VAL HA H 64 4.460 4.859 -0.399 1 1 605 . 16 1 1 A 64 64 VAL CB C 64 32.938 33.761 -0.823 1 1 615 . 16 1 1 A 64 64 VAL C C 64 176.629 176.470 0.159 1 1 616 . 16 1 1 A 65 65 LYS N N 65 121.529 125.113 -3.584 1 1 617 . 16 1 1 A 65 65 LYS H H 65 8.139 8.814 -0.675 1 1 618 . 16 1 1 A 65 65 LYS CA C 65 56.181 56.050 0.131 1 1 619 . 16 1 1 A 65 65 LYS HA H 65 4.474 4.489 -0.015 1 1 620 . 16 1 1 A 65 65 LYS CB C 65 32.960 32.453 0.507 1 1 627 . 16 1 1 A 65 65 LYS C C 65 176.309 176.143 0.166 1 1 632 . 16 1 1 A 66 66 MET N N 66 125.382 119.613 5.769 1 1 633 . 16 1 1 A 66 66 MET H H 66 8.811 7.668 1.143 1 1 634 . 16 1 1 A 66 66 MET CA C 66 55.055 55.894 -0.839 1 1 635 . 16 1 1 A 66 66 MET HA H 66 5.393 4.411 0.982 1 1 636 . 16 1 1 A 66 66 MET CB C 66 37.398 32.885 4.513 1 1 644 . 16 1 1 A 66 66 MET C C 66 174.026 175.330 -1.304 1 1 647 . 16 1 1 A 67 67 ASP N N 67 122.714 121.698 1.016 1 1 648 . 16 1 1 A 67 67 ASP H H 67 8.995 8.284 0.711 1 1 649 . 16 1 1 A 67 67 ASP CA C 67 53.231 53.063 0.168 1 1 650 . 16 1 1 A 67 67 ASP HA H 67 4.854 5.222 -0.368 1 1 651 . 16 1 1 A 67 67 ASP CB C 67 44.980 44.225 0.755 1 1 654 . 16 1 1 A 68 68 CYS H H 68 8.412 9.220 -0.808 1 1 655 . 16 1 1 A 68 68 CYS CA C 68 56.390 56.959 -0.569 1 1 656 . 16 1 1 A 68 68 CYS HA H 68 5.288 5.290 -0.002 1 1 657 . 16 1 1 A 68 68 CYS CB C 68 28.188 30.480 -2.292 1 1 660 . 16 1 1 A 69 69 GLN N N 69 125.044 120.046 4.998 1 1 661 . 16 1 1 A 69 69 GLN H H 69 9.116 8.794 0.322 1 1 662 . 16 1 1 A 69 69 GLN CA C 69 56.403 53.527 2.876 1 1 663 . 16 1 1 A 69 69 GLN HA H 69 5.290 4.998 0.292 1 1 664 . 16 1 1 A 69 69 GLN CB C 69 32.962 32.085 0.877 1 1 671 . 16 1 1 A 70 70 GLU N N 70 125.781 120.041 5.740 1 1 672 . 16 1 1 A 70 70 GLU H H 70 8.979 8.399 0.580 1 1 673 . 16 1 1 A 70 70 GLU CA C 70 56.418 56.444 -0.026 1 1 674 . 16 1 1 A 70 70 GLU HA H 70 4.029 4.581 -0.552 1 1 675 . 16 1 1 A 70 70 GLU CB C 70 30.585 30.206 0.379 1 1 681 . 16 1 1 A 71 71 THR N N 71 118.158 111.210 6.948 1 1 682 . 16 1 1 A 71 71 THR H H 71 8.455 8.634 -0.179 1 1 683 . 16 1 1 A 71 71 THR CA C 71 59.209 58.354 0.855 1 1 684 . 16 1 1 A 71 71 THR HA H 71 4.902 4.997 -0.095 1 1 685 . 16 1 1 A 71 71 THR CB C 71 68.926 70.324 -1.398 1 1 691 . 16 1 1 A 72 72 PRO CA C 72 65.290 64.334 0.956 1 1 692 . 16 1 1 A 72 72 PRO HA H 72 4.296 4.562 -0.266 1 1 693 . 16 1 1 A 72 72 PRO CB C 72 31.848 31.678 0.170 1 1 699 . 16 1 1 A 72 72 PRO C C 72 177.476 177.784 -0.308 1 1 703 . 16 1 1 A 73 73 GLU N N 73 112.293 118.163 -5.870 1 1 704 . 16 1 1 A 73 73 GLU H H 73 7.562 8.615 -1.053 1 1 705 . 16 1 1 A 73 73 GLU CA C 73 55.577 57.505 -1.928 1 1 706 . 16 1 1 A 73 73 GLU HA H 73 4.370 4.490 -0.120 1 1 707 . 16 1 1 A 73 73 GLU CB C 73 30.787 31.695 -0.908 1 1 711 . 16 1 1 A 73 73 GLU C C 73 174.438 176.784 -2.346 1 1 714 . 16 1 1 A 74 74 GLY N N 74 109.223 107.254 1.969 1 1 715 . 16 1 1 A 74 74 GLY H H 74 7.324 7.598 -0.274 1 1 716 . 16 1 1 A 74 74 GLY CA C 74 47.146 46.263 0.883 1 1 717 . 16 1 1 A 74 74 GLY HA3 H 74 3.551 4.200 -0.649 1 1 718 . 16 1 1 A 74 74 GLY C C 74 172.589 171.728 0.861 1 1 719 . 16 1 1 A 74 74 GLY HA2 H 74 4.949 4.182 0.767 1 1 720 . 16 1 1 A 75 75 TYR N N 75 123.117 118.453 4.664 1 1 721 . 16 1 1 A 75 75 TYR H H 75 8.883 7.951 0.932 1 1 722 . 16 1 1 A 75 75 TYR CA C 75 57.566 58.214 -0.648 1 1 723 . 16 1 1 A 75 75 TYR HA H 75 5.171 4.775 0.396 1 1 724 . 16 1 1 A 75 75 TYR CB C 75 44.111 41.824 2.287 1 1 734 . 16 1 1 A 75 75 TYR C C 75 173.925 173.001 0.924 1 1 736 . 16 1 1 A 76 76 LYS N N 76 124.633 127.457 -2.824 1 1 737 . 16 1 1 A 76 76 LYS H H 76 9.390 8.289 1.101 1 1 738 . 16 1 1 A 76 76 LYS CA C 76 55.055 54.178 0.877 1 1 739 . 16 1 1 A 76 76 LYS HA H 76 4.594 4.416 0.178 1 1 740 . 16 1 1 A 76 76 LYS CB C 76 35.124 35.184 -0.060 1 1 748 . 16 1 1 A 76 76 LYS C C 76 174.069 173.909 0.160 1 1 753 . 16 1 1 A 77 77 VAL N N 77 126.947 125.314 1.633 1 1 754 . 16 1 1 A 77 77 VAL H H 77 8.607 7.647 0.960 1 1 755 . 16 1 1 A 77 77 VAL CA C 77 60.894 59.957 0.937 1 1 756 . 16 1 1 A 77 77 VAL HA H 77 4.280 4.464 -0.184 1 1 757 . 16 1 1 A 77 77 VAL CB C 77 32.115 34.210 -2.095 1 1 767 . 16 1 1 A 77 77 VAL C C 77 173.586 174.513 -0.927 1 1 768 . 16 1 1 A 78 78 MET N N 78 123.986 124.834 -0.848 1 1 769 . 16 1 1 A 78 78 MET H H 78 8.410 8.497 -0.087 1 1 770 . 16 1 1 A 78 78 MET CA C 78 53.236 54.608 -1.372 1 1 771 . 16 1 1 A 78 78 MET HA H 78 5.290 5.317 -0.027 1 1 772 . 16 1 1 A 78 78 MET CB C 78 36.873 36.751 0.122 1 1 780 . 16 1 1 A 78 78 MET C C 78 174.665 174.374 0.291 1 1 783 . 16 1 1 A 79 79 TYR N N 79 117.488 119.561 -2.073 1 1 784 . 16 1 1 A 79 79 TYR H H 79 8.739 8.746 -0.007 1 1 785 . 16 1 1 A 79 79 TYR CA C 79 56.011 55.470 0.541 1 1 786 . 16 1 1 A 79 79 TYR HA H 79 5.654 5.721 -0.067 1 1 787 . 16 1 1 A 79 79 TYR CB C 79 41.549 42.117 -0.568 1 1 797 . 16 1 1 A 79 79 TYR C C 79 172.927 173.615 -0.688 1 1 799 . 16 1 1 A 80 80 THR H H 80 8.383 8.974 -0.591 1 1 800 . 16 1 1 A 80 80 THR CA C 80 58.611 58.984 -0.373 1 1 801 . 16 1 1 A 80 80 THR HA H 80 4.978 4.740 0.238 1 1 802 . 16 1 1 A 80 80 THR CB C 80 70.258 70.757 -0.499 1 1 808 . 16 1 1 A 81 81 PRO CA C 81 61.531 62.986 -1.455 1 1 809 . 16 1 1 A 81 81 PRO HA H 81 4.532 4.731 -0.199 1 1 810 . 16 1 1 A 81 81 PRO CB C 81 32.774 32.214 0.560 1 1 819 . 16 1 1 A 82 82 MET N N 82 117.590 121.838 -4.248 1 1 820 . 16 1 1 A 82 82 MET H H 82 8.299 8.844 -0.545 1 1 821 . 16 1 1 A 82 82 MET CA C 82 53.882 56.932 -3.050 1 1 822 . 16 1 1 A 82 82 MET HA H 82 4.851 4.523 0.328 1 1 823 . 16 1 1 A 82 82 MET CB C 82 33.337 33.900 -0.563 1 1 831 . 16 1 1 A 82 82 MET C C 82 174.339 176.106 -1.767 1 1 834 . 16 1 1 A 83 83 ALA N N 83 119.196 119.763 -0.567 1 1 835 . 16 1 1 A 83 83 ALA H H 83 7.076 7.925 -0.849 1 1 836 . 16 1 1 A 83 83 ALA CA C 83 49.425 49.734 -0.309 1 1 837 . 16 1 1 A 83 83 ALA HA H 83 4.791 4.762 0.029 1 1 838 . 16 1 1 A 83 83 ALA CB C 83 20.682 21.539 -0.857 1 1 842 . 16 1 1 A 83 83 ALA C C 83 174.364 174.754 -0.390 1 1 843 . 16 1 1 A 84 84 PRO CA C 84 62.540 63.175 -0.635 1 1 844 . 16 1 1 A 84 84 PRO HA H 84 4.244 4.550 -0.306 1 1 845 . 16 1 1 A 84 84 PRO CB C 84 32.615 33.272 -0.657 1 1 851 . 16 1 1 A 84 84 PRO C C 84 174.214 176.069 -1.855 1 1 855 . 16 1 1 A 85 85 GLY N N 85 105.436 108.199 -2.763 1 1 856 . 16 1 1 A 85 85 GLY H H 85 8.855 8.543 0.312 1 1 857 . 16 1 1 A 85 85 GLY CA C 85 44.156 44.858 -0.702 1 1 858 . 16 1 1 A 85 85 GLY HA3 H 85 3.761 4.299 -0.538 1 1 859 . 16 1 1 A 85 85 GLY C C 85 171.801 172.206 -0.405 1 1 860 . 16 1 1 A 85 85 GLY HA2 H 85 4.515 4.269 0.246 1 1 861 . 16 1 1 A 86 86 ASN N N 86 119.042 118.846 0.196 1 1 862 . 16 1 1 A 86 86 ASN H H 86 8.573 8.573 0.000 1 1 863 . 16 1 1 A 86 86 ASN CA C 86 52.499 51.858 0.641 1 1 864 . 16 1 1 A 86 86 ASN HA H 86 5.517 5.660 -0.143 1 1 865 . 16 1 1 A 86 86 ASN CB C 86 39.390 40.306 -0.916 1 1 870 . 16 1 1 A 86 86 ASN C C 86 174.453 173.736 0.717 1 1 872 . 16 1 1 A 87 87 TYR N N 87 122.992 123.406 -0.414 1 1 873 . 16 1 1 A 87 87 TYR H H 87 9.369 8.791 0.578 1 1 874 . 16 1 1 A 87 87 TYR CA C 87 56.366 57.068 -0.702 1 1 875 . 16 1 1 A 87 87 TYR HA H 87 5.140 5.156 -0.016 1 1 876 . 16 1 1 A 87 87 TYR CB C 87 40.267 41.164 -0.897 1 1 886 . 16 1 1 A 87 87 TYR C C 87 174.332 174.770 -0.438 1 1 888 . 16 1 1 A 88 88 LEU N N 88 124.720 121.123 3.597 1 1 889 . 16 1 1 A 88 88 LEU H H 88 9.306 8.422 0.884 1 1 890 . 16 1 1 A 88 88 LEU CA C 88 53.426 53.749 -0.323 1 1 891 . 16 1 1 A 88 88 LEU HA H 88 5.253 5.045 0.208 1 1 892 . 16 1 1 A 88 88 LEU CB C 88 44.487 46.090 -1.603 1 1 904 . 16 1 1 A 88 88 LEU C C 88 177.074 174.643 2.431 1 1 906 . 16 1 1 A 89 89 ILE N N 89 130.469 126.041 4.428 1 1 907 . 16 1 1 A 89 89 ILE H H 89 9.807 8.616 1.191 1 1 908 . 16 1 1 A 89 89 ILE CA C 89 60.792 60.266 0.526 1 1 909 . 16 1 1 A 89 89 ILE HA H 89 4.851 4.846 0.005 1 1 910 . 16 1 1 A 89 89 ILE CB C 89 39.662 40.909 -1.247 1 1 922 . 16 1 1 A 89 89 ILE C C 89 175.605 174.965 0.640 1 1 924 . 16 1 1 A 90 90 SER N N 90 123.845 124.749 -0.904 1 1 925 . 16 1 1 A 90 90 SER H H 90 9.540 9.025 0.515 1 1 926 . 16 1 1 A 90 90 SER CA C 90 58.036 57.825 0.211 1 1 927 . 16 1 1 A 90 90 SER HA H 90 5.199 5.181 0.018 1 1 928 . 16 1 1 A 90 90 SER CB C 90 64.133 64.734 -0.601 1 1 930 . 16 1 1 A 90 90 SER C C 90 173.566 173.297 0.269 1 1 932 . 16 1 1 A 91 91 VAL N N 91 128.427 125.966 2.461 1 1 933 . 16 1 1 A 91 91 VAL H H 91 9.918 8.757 1.161 1 1 934 . 16 1 1 A 91 91 VAL CA C 91 61.447 61.374 0.073 1 1 935 . 16 1 1 A 91 91 VAL HA H 91 4.837 5.026 -0.189 1 1 936 . 16 1 1 A 91 91 VAL CB C 91 33.761 34.876 -1.115 1 1 946 . 16 1 1 A 91 91 VAL C C 91 173.296 174.844 -1.548 1 1 947 . 16 1 1 A 92 92 LYS N N 92 125.779 126.248 -0.469 1 1 948 . 16 1 1 A 92 92 LYS H H 92 8.892 8.521 0.371 1 1 949 . 16 1 1 A 92 92 LYS CA C 92 54.468 54.472 -0.004 1 1 950 . 16 1 1 A 92 92 LYS HA H 92 5.065 5.253 -0.188 1 1 951 . 16 1 1 A 92 92 LYS CB C 92 36.106 35.921 0.185 1 1 959 . 16 1 1 A 92 92 LYS C C 92 175.189 175.061 0.128 1 1 964 . 16 1 1 A 93 93 TYR N N 93 120.251 120.771 -0.520 1 1 965 . 16 1 1 A 93 93 TYR H H 93 8.061 8.854 -0.793 1 1 966 . 16 1 1 A 93 93 TYR CA C 93 56.884 57.103 -0.219 1 1 967 . 16 1 1 A 93 93 TYR HA H 93 5.522 4.888 0.634 1 1 968 . 16 1 1 A 93 93 TYR CB C 93 44.120 41.615 2.505 1 1 978 . 16 1 1 A 93 93 TYR C C 93 175.517 176.067 -0.550 1 1 980 . 16 1 1 A 94 94 GLY N N 94 114.148 112.186 1.962 1 1 981 . 16 1 1 A 94 94 GLY H H 94 8.274 8.864 -0.590 1 1 982 . 16 1 1 A 94 94 GLY CA C 94 45.959 45.811 0.148 1 1 983 . 16 1 1 A 94 94 GLY HA3 H 94 3.705 4.025 -0.320 1 1 984 . 16 1 1 A 94 94 GLY C C 94 173.595 174.238 -0.643 1 1 985 . 16 1 1 A 94 94 GLY HA2 H 94 3.877 4.008 -0.131 1 1 986 . 16 1 1 A 95 95 GLY N N 95 107.010 108.108 -1.098 1 1 987 . 16 1 1 A 95 95 GLY H H 95 7.452 8.173 -0.721 1 1 988 . 16 1 1 A 95 95 GLY CA C 95 43.954 44.384 -0.430 1 1 989 . 16 1 1 A 95 95 GLY HA3 H 95 3.618 4.117 -0.499 1 1 990 . 16 1 1 A 95 95 GLY C C 95 172.825 174.626 -1.801 1 1 991 . 16 1 1 A 95 95 GLY HA2 H 95 4.507 4.112 0.395 1 1 992 . 16 1 1 A 96 96 PRO CA C 96 63.221 64.353 -1.132 1 1 993 . 16 1 1 A 96 96 PRO HA H 96 4.413 4.467 -0.054 1 1 994 . 16 1 1 A 96 96 PRO CB C 96 30.955 31.848 -0.893 1 1 1000 . 16 1 1 A 96 96 PRO C C 96 175.901 176.441 -0.540 1 1 1004 . 16 1 1 A 97 97 ASN N N 97 119.942 118.166 1.776 1 1 1005 . 16 1 1 A 97 97 ASN H H 97 8.172 8.007 0.165 1 1 1006 . 16 1 1 A 97 97 ASN CA C 97 52.914 53.684 -0.770 1 1 1007 . 16 1 1 A 97 97 ASN HA H 97 4.864 4.858 0.006 1 1 1008 . 16 1 1 A 97 97 ASN CB C 97 39.806 39.450 0.356 1 1 1013 . 16 1 1 A 97 97 ASN C C 97 174.285 175.063 -0.778 1 1 1015 . 16 1 1 A 98 98 HIS N N 98 121.803 116.553 5.250 1 1 1016 . 16 1 1 A 98 98 HIS H H 98 8.456 8.271 0.185 1 1 1017 . 16 1 1 A 98 98 HIS CA C 98 58.023 53.380 4.643 1 1 1018 . 16 1 1 A 98 98 HIS HA H 98 4.475 5.686 -1.211 1 1 1019 . 16 1 1 A 98 98 HIS CB C 98 33.382 32.872 0.510 1 1 1025 . 16 1 1 A 98 98 HIS C C 98 177.938 174.868 3.070 1 1 1027 . 16 1 1 A 99 99 ILE N N 99 115.599 118.232 -2.633 1 1 1028 . 16 1 1 A 99 99 ILE H H 99 8.237 8.089 0.148 1 1 1029 . 16 1 1 A 99 99 ILE CA C 99 60.895 60.541 0.354 1 1 1030 . 16 1 1 A 99 99 ILE HA H 99 4.545 4.147 0.398 1 1 1031 . 16 1 1 A 99 99 ILE CB C 99 38.675 39.662 -0.987 1 1 1043 . 16 1 1 A 99 99 ILE C C 99 176.165 175.740 0.425 1 1 1045 . 16 1 1 A 100 100 VAL H H 100 8.389 8.449 -0.060 1 1 1046 . 16 1 1 A 100 100 VAL CA C 100 65.835 65.541 0.294 1 1 1047 . 16 1 1 A 100 100 VAL HA H 100 3.673 3.570 0.103 1 1 1048 . 16 1 1 A 100 100 VAL CB C 100 31.169 31.448 -0.279 1 1 1058 . 16 1 1 A 101 101 GLY N N 101 116.014 115.541 0.473 1 1 1059 . 16 1 1 A 101 101 GLY H H 101 8.297 8.990 -0.693 1 1 1060 . 16 1 1 A 101 101 GLY CA C 101 44.626 45.380 -0.754 1 1 1061 . 16 1 1 A 101 101 GLY HA3 H 101 3.227 4.112 -0.885 1 1 1062 . 16 1 1 A 101 101 GLY C C 101 171.863 173.926 -2.063 1 1 1063 . 16 1 1 A 101 101 GLY HA2 H 101 4.207 3.992 0.215 1 1 1064 . 16 1 1 A 102 102 SER N N 102 111.977 117.398 -5.421 1 1 1065 . 16 1 1 A 102 102 SER H H 102 7.304 7.253 0.051 1 1 1066 . 16 1 1 A 102 102 SER CA C 102 54.570 55.432 -0.862 1 1 1067 . 16 1 1 A 102 102 SER HA H 102 3.915 3.387 0.528 1 1 1068 . 16 1 1 A 102 102 SER CB C 102 62.569 63.372 -0.803 1 1 1071 . 16 1 1 A 103 103 PRO CA C 103 62.215 62.100 0.115 1 1 1072 . 16 1 1 A 103 103 PRO HA H 103 5.475 4.374 1.101 1 1 1073 . 16 1 1 A 103 103 PRO CB C 103 33.552 32.490 1.062 1 1 1079 . 16 1 1 A 103 103 PRO C C 103 175.646 174.891 0.755 1 1 1083 . 16 1 1 A 104 104 PHE N N 104 123.291 119.631 3.660 1 1 1084 . 16 1 1 A 104 104 PHE H H 104 9.465 8.783 0.682 1 1 1085 . 16 1 1 A 104 104 PHE CA C 104 57.015 56.996 0.019 1 1 1086 . 16 1 1 A 104 104 PHE HA H 104 4.531 4.870 -0.339 1 1 1087 . 16 1 1 A 104 104 PHE CB C 104 40.607 40.734 -0.127 1 1 1099 . 16 1 1 A 104 104 PHE C C 104 175.305 175.356 -0.051 1 1 1101 . 16 1 1 A 105 105 LYS N N 105 123.989 121.777 2.212 1 1 1102 . 16 1 1 A 105 105 LYS H H 105 8.712 8.951 -0.239 1 1 1103 . 16 1 1 A 105 105 LYS CA C 105 55.868 55.171 0.697 1 1 1104 . 16 1 1 A 105 105 LYS HA H 105 4.913 5.004 -0.091 1 1 1105 . 16 1 1 A 105 105 LYS CB C 105 32.762 34.146 -1.384 1 1 1113 . 16 1 1 A 105 105 LYS C C 105 174.065 175.350 -1.285 1 1 1118 . 16 1 1 A 106 106 ALA N N 106 129.654 124.411 5.243 1 1 1119 . 16 1 1 A 106 106 ALA H H 106 8.964 9.009 -0.045 1 1 1120 . 16 1 1 A 106 106 ALA CA C 106 50.325 50.321 0.004 1 1 1121 . 16 1 1 A 106 106 ALA HA H 106 4.497 5.311 -0.814 1 1 1122 . 16 1 1 A 106 106 ALA CB C 106 20.496 22.725 -2.229 1 1 1126 . 16 1 1 A 106 106 ALA C C 106 176.111 174.710 1.401 1 1 1127 . 16 1 1 A 107 107 LYS N N 107 124.155 122.170 1.985 1 1 1128 . 16 1 1 A 107 107 LYS H H 107 7.955 8.762 -0.807 1 1 1129 . 16 1 1 A 107 107 LYS CA C 107 55.904 54.878 1.026 1 1 1130 . 16 1 1 A 107 107 LYS HA H 107 4.950 4.964 -0.014 1 1 1131 . 16 1 1 A 107 107 LYS CB C 107 33.755 34.764 -1.009 1 1 1139 . 16 1 1 A 107 107 LYS C C 107 175.350 175.009 0.341 1 1 1144 . 16 1 1 A 108 108 VAL N N 108 128.726 127.306 1.420 1 1 1145 . 16 1 1 A 108 108 VAL H H 108 9.373 8.456 0.917 1 1 1146 . 16 1 1 A 108 108 VAL CA C 108 60.804 61.336 -0.532 1 1 1147 . 16 1 1 A 108 108 VAL HA H 108 4.851 5.143 -0.292 1 1 1148 . 16 1 1 A 108 108 VAL CB C 108 33.175 32.713 0.462 1 1 1158 . 16 1 1 A 108 108 VAL C C 108 177.017 175.311 1.706 1 1 1159 . 16 1 1 A 109 109 THR N N 109 121.067 117.483 3.584 1 1 1160 . 16 1 1 A 109 109 THR H H 109 8.527 8.490 0.037 1 1 1161 . 16 1 1 A 109 109 THR CA C 109 60.138 59.962 0.176 1 1 1162 . 16 1 1 A 109 109 THR HA H 109 4.864 4.928 -0.064 1 1 1163 . 16 1 1 A 109 109 THR CB C 109 70.960 71.678 -0.718 1 1 1169 . 16 1 1 A 109 109 THR C C 109 173.130 173.580 -0.450 1 1 1170 . 16 1 1 A 110 110 GLY N N 110 106.893 109.524 -2.631 1 1 1171 . 16 1 1 A 110 110 GLY H H 110 8.404 8.482 -0.078 1 1 1172 . 16 1 1 A 110 110 GLY CA C 110 43.888 44.327 -0.439 1 1 1173 . 16 1 1 A 110 110 GLY HA3 H 110 3.851 4.134 -0.283 1 1 1174 . 16 1 1 A 110 110 GLY C C 110 173.870 174.814 -0.944 1 1 1175 . 16 1 1 A 110 110 GLY HA2 H 110 4.773 4.131 0.642 1 1 1176 . 16 1 1 A 111 111 GLN N N 111 116.999 118.199 -1.200 1 1 1177 . 16 1 1 A 111 111 GLN H H 111 8.234 8.758 -0.524 1 1 1178 . 16 1 1 A 111 111 GLN CA C 111 55.230 56.784 -1.554 1 1 1179 . 16 1 1 A 111 111 GLN HA H 111 4.269 3.778 0.491 1 1 1180 . 16 1 1 A 111 111 GLN CB C 111 30.118 27.043 3.075 1 1 1187 . 16 1 1 A 111 111 GLN C C 111 176.550 174.871 1.679 1 1 1190 . 16 1 1 A 112 112 ARG N N 112 122.131 116.976 5.155 1 1 1191 . 16 1 1 A 112 112 ARG H H 112 8.832 7.797 1.035 1 1 1192 . 16 1 1 A 112 112 ARG CA C 112 57.384 56.151 1.233 1 1 1193 . 16 1 1 A 112 112 ARG HA H 112 4.300 4.381 -0.081 1 1 1194 . 16 1 1 A 112 112 ARG CB C 112 30.059 29.750 0.309 1 1 1200 . 16 1 1 A 112 112 ARG C C 112 175.836 175.901 -0.065 1 1 1204 . 16 1 1 A 113 113 LEU N N 113 126.764 127.082 -0.318 1 1 1205 . 16 1 1 A 113 113 LEU H H 113 8.424 8.529 -0.105 1 1 1206 . 16 1 1 A 113 113 LEU CA C 113 54.919 54.177 0.742 1 1 1207 . 16 1 1 A 113 113 LEU HA H 113 4.517 4.400 0.117 1 1 1208 . 16 1 1 A 113 113 LEU CB C 113 42.706 40.081 2.625 1 1 1220 . 16 1 1 A 113 113 LEU C C 113 176.521 176.289 0.232 1 1 1222 . 16 1 1 A 116 116 PRO CA C 116 63.729 63.847 -0.118 1 1 1223 . 16 1 1 A 116 116 PRO HA H 116 4.436 4.465 -0.029 1 1 1224 . 16 1 1 A 116 116 PRO CB C 116 32.182 32.111 0.071 1 1 1233 . 16 1 1 A 117 117 GLY N N 117 110.092 106.167 3.925 1 1 1234 . 16 1 1 A 117 117 GLY H H 117 8.493 7.267 1.226 1 1 1235 . 16 1 1 A 118 118 SER CA C 118 58.420 56.965 1.455 1 1 1236 . 16 1 1 A 118 118 SER HA H 118 4.454 5.163 -0.709 1 1 1237 . 16 1 1 A 118 118 SER CB C 118 64.014 64.392 -0.378 1 1 1239 . 16 1 1 A 118 118 SER C C 118 174.495 173.487 1.008 1 1 1241 . 16 1 1 A 119 119 ALA N N 119 125.244 129.303 -4.059 1 1 1242 . 16 1 1 A 119 119 ALA H H 119 8.365 8.681 -0.316 1 1 1243 . 16 1 1 A 119 119 ALA CA C 119 52.697 51.324 1.373 1 1 1244 . 16 1 1 A 119 119 ALA HA H 119 4.333 5.269 -0.936 1 1 1245 . 16 1 1 A 119 119 ALA CB C 119 19.378 23.310 -3.932 1 1 1249 . 16 1 1 A 119 119 ALA C C 119 177.362 175.828 1.534 1 1 1250 . 16 1 1 A 120 120 ASN N N 120 117.122 119.440 -2.318 1 1 1251 . 16 1 1 A 120 120 ASN H H 120 8.311 8.836 -0.525 1 1 1252 . 16 1 1 A 120 120 ASN CA C 120 53.198 53.355 -0.157 1 1 1253 . 16 1 1 A 120 120 ASN HA H 120 4.659 5.239 -0.580 1 1 1254 . 16 1 1 A 120 120 ASN CB C 120 38.852 40.928 -2.076 1 1 1259 . 16 1 1 A 120 120 ASN C C 120 175.112 173.530 1.582 1 1 1261 . 16 1 1 A 122 122 THR CA C 122 61.947 62.423 -0.476 1 1 1262 . 16 1 1 A 122 122 THR HA H 122 4.197 4.598 -0.401 1 1 1263 . 16 1 1 A 122 122 THR CB C 122 69.949 69.745 0.204 1 1 1 . 17 1 1 A 9 9 LYS N N 9 120.806 118.840 1.966 1 1 2 . 17 1 1 A 9 9 LYS H H 9 8.548 8.351 0.197 1 1 3 . 17 1 1 A 9 9 LYS CA C 9 56.358 56.541 -0.183 1 1 4 . 17 1 1 A 9 9 LYS HA H 9 4.261 4.141 0.120 1 1 5 . 17 1 1 A 9 9 LYS CB C 9 32.673 32.583 0.090 1 1 17 . 17 1 1 A 10 10 VAL HA H 10 4.307 4.645 -0.338 1 1 18 . 17 1 1 A 10 10 VAL CB C 10 34.845 34.598 0.247 1 1 24 . 17 1 1 A 11 11 ARG N N 11 125.757 127.419 -1.662 1 1 25 . 17 1 1 A 11 11 ARG H H 11 8.546 8.653 -0.107 1 1 26 . 17 1 1 A 11 11 ARG CA C 11 55.966 56.261 -0.295 1 1 27 . 17 1 1 A 11 11 ARG HA H 11 4.463 4.575 -0.112 1 1 28 . 17 1 1 A 11 11 ARG CB C 11 30.834 30.555 0.279 1 1 37 . 17 1 1 A 12 12 VAL CA C 12 62.370 60.865 1.505 1 1 38 . 17 1 1 A 12 12 VAL HA H 12 4.205 4.428 -0.223 1 1 39 . 17 1 1 A 12 12 VAL CB C 12 32.571 32.641 -0.070 1 1 48 . 17 1 1 A 13 13 GLY N N 13 113.294 116.547 -3.253 1 1 49 . 17 1 1 A 13 13 GLY H H 13 8.608 8.656 -0.048 1 1 50 . 17 1 1 A 13 13 GLY CA C 13 44.973 44.759 0.214 1 1 51 . 17 1 1 A 13 13 GLY HA3 H 13 4.024 4.053 -0.029 1 1 52 . 17 1 1 A 13 13 GLY HA2 H 13 3.891 4.051 -0.160 1 1 53 . 17 1 1 A 14 14 GLU N N 14 120.644 122.422 -1.778 1 1 54 . 17 1 1 A 14 14 GLU H H 14 8.139 8.818 -0.679 1 1 55 . 17 1 1 A 14 14 GLU CA C 14 54.101 54.175 -0.074 1 1 56 . 17 1 1 A 14 14 GLU HA H 14 4.626 4.667 -0.041 1 1 57 . 17 1 1 A 14 14 GLU CB C 14 30.026 29.029 0.997 1 1 63 . 17 1 1 A 15 15 PRO CA C 15 63.731 63.273 0.458 1 1 64 . 17 1 1 A 15 15 PRO HA H 15 4.319 4.648 -0.329 1 1 65 . 17 1 1 A 15 15 PRO CB C 15 31.974 31.766 0.208 1 1 71 . 17 1 1 A 15 15 PRO C C 15 177.450 178.469 -1.019 1 1 75 . 17 1 1 A 16 16 GLY N N 16 109.768 111.142 -1.374 1 1 76 . 17 1 1 A 16 16 GLY H H 16 8.577 8.593 -0.016 1 1 77 . 17 1 1 A 16 16 GLY CA C 16 45.424 47.389 -1.965 1 1 78 . 17 1 1 A 16 16 GLY HA3 H 16 3.804 3.839 -0.035 1 1 79 . 17 1 1 A 16 16 GLY C C 16 174.160 174.576 -0.416 1 1 80 . 17 1 1 A 16 16 GLY HA2 H 16 4.086 3.837 0.249 1 1 81 . 17 1 1 A 17 17 GLN N N 17 119.726 112.260 7.466 1 1 82 . 17 1 1 A 17 17 GLN H H 17 7.868 7.996 -0.128 1 1 83 . 17 1 1 A 17 17 GLN CA C 17 55.403 54.536 0.867 1 1 84 . 17 1 1 A 17 17 GLN HA H 17 4.389 4.731 -0.342 1 1 85 . 17 1 1 A 17 17 GLN CB C 17 29.894 31.052 -1.158 1 1 92 . 17 1 1 A 17 17 GLN C C 17 175.290 174.385 0.905 1 1 95 . 17 1 1 A 18 18 ALA N N 18 125.593 122.994 2.599 1 1 96 . 17 1 1 A 18 18 ALA H H 18 8.469 9.138 -0.669 1 1 97 . 17 1 1 A 18 18 ALA CA C 18 52.389 53.243 -0.854 1 1 98 . 17 1 1 A 18 18 ALA HA H 18 4.448 4.052 0.396 1 1 99 . 17 1 1 A 18 18 ALA CB C 18 19.959 17.889 2.070 1 1 103 . 17 1 1 A 18 18 ALA C C 18 177.464 177.364 0.100 1 1 104 . 17 1 1 A 19 19 GLY N N 19 109.162 103.222 5.940 1 1 105 . 17 1 1 A 19 19 GLY H H 19 8.294 8.646 -0.352 1 1 106 . 17 1 1 A 19 19 GLY CA C 19 45.270 44.818 0.452 1 1 107 . 17 1 1 A 19 19 GLY HA3 H 19 3.853 4.234 -0.381 1 1 108 . 17 1 1 A 19 19 GLY C C 19 173.012 172.550 0.462 1 1 109 . 17 1 1 A 19 19 GLY HA2 H 19 4.207 4.194 0.013 1 1 110 . 17 1 1 A 20 20 ASN N N 20 118.861 120.580 -1.719 1 1 111 . 17 1 1 A 20 20 ASN H H 20 8.479 8.776 -0.297 1 1 112 . 17 1 1 A 20 20 ASN CA C 20 50.128 49.736 0.392 1 1 113 . 17 1 1 A 20 20 ASN HA H 20 5.236 5.212 0.024 1 1 114 . 17 1 1 A 20 20 ASN CB C 20 39.697 40.183 -0.486 1 1 119 . 17 1 1 A 20 20 ASN C C 20 174.482 175.041 -0.559 1 1 121 . 17 1 1 A 21 21 PRO CA C 21 64.588 65.328 -0.740 1 1 122 . 17 1 1 A 21 21 PRO HA H 21 4.312 4.538 -0.226 1 1 123 . 17 1 1 A 21 21 PRO CB C 21 31.950 32.146 -0.196 1 1 129 . 17 1 1 A 21 21 PRO C C 21 177.141 178.181 -1.040 1 1 133 . 17 1 1 A 22 22 ALA N N 22 118.898 118.898 0.000 1 1 134 . 17 1 1 A 22 22 ALA H H 22 7.918 8.720 -0.802 1 1 135 . 17 1 1 A 22 22 ALA CA C 22 53.499 55.354 -1.855 1 1 136 . 17 1 1 A 22 22 ALA HA H 22 4.386 4.054 0.332 1 1 137 . 17 1 1 A 22 22 ALA CB C 22 18.288 18.588 -0.300 1 1 141 . 17 1 1 A 22 22 ALA C C 22 178.115 180.581 -2.466 1 1 142 . 17 1 1 A 23 23 LEU N N 23 116.219 117.534 -1.315 1 1 143 . 17 1 1 A 23 23 LEU H H 23 7.696 8.137 -0.441 1 1 144 . 17 1 1 A 23 23 LEU CA C 23 53.851 58.021 -4.170 1 1 145 . 17 1 1 A 23 23 LEU HA H 23 4.475 3.922 0.553 1 1 146 . 17 1 1 A 23 23 LEU CB C 23 41.958 41.800 0.158 1 1 158 . 17 1 1 A 23 23 LEU C C 23 176.653 178.127 -1.474 1 1 160 . 17 1 1 A 24 24 VAL N N 24 122.233 119.347 2.886 1 1 161 . 17 1 1 A 24 24 VAL H H 24 7.207 7.652 -0.445 1 1 162 . 17 1 1 A 24 24 VAL CA C 24 62.768 63.257 -0.489 1 1 163 . 17 1 1 A 24 24 VAL HA H 24 4.081 4.147 -0.066 1 1 164 . 17 1 1 A 24 24 VAL CB C 24 32.408 31.583 0.825 1 1 174 . 17 1 1 A 24 24 VAL C C 24 174.702 175.429 -0.727 1 1 175 . 17 1 1 A 25 25 SER N N 25 120.181 123.008 -2.827 1 1 176 . 17 1 1 A 25 25 SER H H 25 8.109 8.648 -0.539 1 1 177 . 17 1 1 A 25 25 SER CA C 25 56.489 55.870 0.619 1 1 178 . 17 1 1 A 25 25 SER HA H 25 5.159 5.338 -0.179 1 1 179 . 17 1 1 A 25 25 SER CB C 25 66.443 67.146 -0.703 1 1 181 . 17 1 1 A 25 25 SER C C 25 172.102 172.925 -0.823 1 1 183 . 17 1 1 A 26 26 ALA N N 26 124.850 124.421 0.429 1 1 184 . 17 1 1 A 26 26 ALA H H 26 8.839 8.913 -0.074 1 1 185 . 17 1 1 A 26 26 ALA CA C 26 50.395 50.888 -0.493 1 1 186 . 17 1 1 A 26 26 ALA HA H 26 5.796 5.211 0.585 1 1 187 . 17 1 1 A 26 26 ALA CB C 26 22.868 22.871 -0.003 1 1 191 . 17 1 1 A 26 26 ALA C C 26 175.694 175.445 0.249 1 1 192 . 17 1 1 A 27 27 TYR N N 27 117.541 117.270 0.271 1 1 193 . 17 1 1 A 27 27 TYR H H 27 8.831 8.504 0.327 1 1 194 . 17 1 1 A 27 27 TYR CA C 27 56.610 55.951 0.659 1 1 195 . 17 1 1 A 27 27 TYR HA H 27 4.851 5.370 -0.519 1 1 196 . 17 1 1 A 27 27 TYR CB C 27 39.737 41.308 -1.571 1 1 206 . 17 1 1 A 27 27 TYR C C 27 173.299 173.950 -0.651 1 1 208 . 17 1 1 A 28 28 GLY N N 28 108.355 106.672 1.683 1 1 209 . 17 1 1 A 28 28 GLY H H 28 8.788 8.493 0.295 1 1 210 . 17 1 1 A 28 28 GLY CA C 28 44.056 45.770 -1.714 1 1 211 . 17 1 1 A 28 28 GLY HA3 H 28 4.304 4.372 -0.068 1 1 212 . 17 1 1 A 28 28 GLY C C 28 176.208 173.897 2.311 1 1 213 . 17 1 1 A 28 28 GLY HA2 H 28 5.047 4.305 0.742 1 1 214 . 17 1 1 A 29 29 THR N N 29 115.659 113.456 2.203 1 1 215 . 17 1 1 A 29 29 THR H H 29 9.027 8.727 0.300 1 1 216 . 17 1 1 A 29 29 THR CA C 29 65.419 65.965 -0.546 1 1 217 . 17 1 1 A 29 29 THR HA H 29 4.171 4.145 0.026 1 1 218 . 17 1 1 A 29 29 THR CB C 29 68.659 68.789 -0.130 1 1 224 . 17 1 1 A 29 29 THR C C 29 178.141 177.265 0.876 1 1 225 . 17 1 1 A 30 30 GLY N N 30 107.400 108.084 -0.684 1 1 226 . 17 1 1 A 30 30 GLY H H 30 8.747 8.463 0.284 1 1 227 . 17 1 1 A 30 30 GLY CA C 30 46.719 46.999 -0.280 1 1 228 . 17 1 1 A 30 30 GLY HA3 H 30 3.556 3.618 -0.062 1 1 229 . 17 1 1 A 30 30 GLY C C 30 173.896 175.681 -1.785 1 1 230 . 17 1 1 A 30 30 GLY HA2 H 30 4.483 3.608 0.875 1 1 231 . 17 1 1 A 31 31 LEU N N 31 118.075 122.829 -4.754 1 1 232 . 17 1 1 A 31 31 LEU H H 31 7.389 8.173 -0.784 1 1 233 . 17 1 1 A 31 31 LEU CA C 31 55.799 57.687 -1.888 1 1 234 . 17 1 1 A 31 31 LEU HA H 31 3.778 3.932 -0.154 1 1 235 . 17 1 1 A 31 31 LEU CB C 31 41.564 41.404 0.160 1 1 247 . 17 1 1 A 31 31 LEU C C 31 176.045 178.871 -2.826 1 1 249 . 17 1 1 A 32 32 GLU N N 32 112.872 117.672 -4.800 1 1 250 . 17 1 1 A 32 32 GLU H H 32 7.509 8.019 -0.510 1 1 251 . 17 1 1 A 32 32 GLU CA C 32 56.330 58.966 -2.636 1 1 252 . 17 1 1 A 32 32 GLU HA H 32 4.717 4.093 0.624 1 1 253 . 17 1 1 A 32 32 GLU CB C 32 31.924 29.926 1.998 1 1 257 . 17 1 1 A 32 32 GLU C C 32 177.958 176.832 1.126 1 1 260 . 17 1 1 A 33 33 GLY N N 33 107.880 104.291 3.589 1 1 261 . 17 1 1 A 33 33 GLY H H 33 7.822 6.993 0.829 1 1 262 . 17 1 1 A 33 33 GLY CA C 33 45.568 45.645 -0.077 1 1 263 . 17 1 1 A 33 33 GLY HA3 H 33 4.125 4.096 0.029 1 1 264 . 17 1 1 A 33 33 GLY C C 33 172.046 171.955 0.091 1 1 265 . 17 1 1 A 33 33 GLY HA2 H 33 4.661 4.087 0.574 1 1 266 . 17 1 1 A 34 34 GLY N N 34 105.841 109.151 -3.310 1 1 267 . 17 1 1 A 34 34 GLY H H 34 7.740 8.251 -0.511 1 1 268 . 17 1 1 A 34 34 GLY CA C 34 45.215 45.189 0.026 1 1 269 . 17 1 1 A 34 34 GLY HA3 H 34 3.988 4.201 -0.213 1 1 270 . 17 1 1 A 34 34 GLY C C 34 171.280 172.830 -1.550 1 1 271 . 17 1 1 A 34 34 GLY HA2 H 34 4.030 4.191 -0.161 1 1 272 . 17 1 1 A 35 35 THR N N 35 119.173 116.639 2.534 1 1 273 . 17 1 1 A 35 35 THR H H 35 9.363 8.669 0.694 1 1 274 . 17 1 1 A 35 35 THR CA C 35 60.844 60.765 0.079 1 1 275 . 17 1 1 A 35 35 THR HA H 35 5.177 5.033 0.144 1 1 276 . 17 1 1 A 35 35 THR CB C 35 72.095 70.061 2.034 1 1 282 . 17 1 1 A 35 35 THR C C 35 173.460 173.694 -0.234 1 1 283 . 17 1 1 A 36 36 THR N N 36 116.864 122.035 -5.171 1 1 284 . 17 1 1 A 36 36 THR H H 36 8.425 8.652 -0.227 1 1 285 . 17 1 1 A 36 36 THR CA C 36 62.841 64.441 -1.600 1 1 286 . 17 1 1 A 36 36 THR HA H 36 3.701 4.305 -0.604 1 1 287 . 17 1 1 A 36 36 THR CB C 36 68.447 68.098 0.349 1 1 293 . 17 1 1 A 36 36 THR C C 36 175.396 175.579 -0.183 1 1 294 . 17 1 1 A 37 37 GLY N N 37 107.461 114.125 -6.664 1 1 295 . 17 1 1 A 37 37 GLY H H 37 8.548 8.887 -0.339 1 1 296 . 17 1 1 A 37 37 GLY CA C 37 45.434 45.068 0.366 1 1 297 . 17 1 1 A 37 37 GLY HA3 H 37 3.386 3.990 -0.604 1 1 298 . 17 1 1 A 37 37 GLY C C 37 172.598 174.773 -2.175 1 1 299 . 17 1 1 A 37 37 GLY HA2 H 37 4.024 3.988 0.036 1 1 300 . 17 1 1 A 38 38 ILE N N 38 122.313 121.256 1.057 1 1 301 . 17 1 1 A 38 38 ILE H H 38 7.871 7.637 0.234 1 1 302 . 17 1 1 A 38 38 ILE CA C 38 58.566 60.769 -2.203 1 1 303 . 17 1 1 A 38 38 ILE HA H 38 4.274 4.166 0.108 1 1 304 . 17 1 1 A 38 38 ILE CB C 38 38.476 38.472 0.004 1 1 316 . 17 1 1 A 38 38 ILE C C 38 175.081 175.525 -0.444 1 1 318 . 17 1 1 A 39 39 GLN N N 39 127.942 126.252 1.690 1 1 319 . 17 1 1 A 39 39 GLN H H 39 8.487 8.608 -0.121 1 1 320 . 17 1 1 A 39 39 GLN CA C 39 57.394 54.378 3.016 1 1 321 . 17 1 1 A 39 39 GLN HA H 39 4.312 4.882 -0.570 1 1 322 . 17 1 1 A 39 39 GLN CB C 39 31.057 29.841 1.216 1 1 329 . 17 1 1 A 39 39 GLN C C 39 176.011 174.680 1.331 1 1 332 . 17 1 1 A 40 40 SER N N 40 125.784 123.841 1.943 1 1 333 . 17 1 1 A 40 40 SER H H 40 9.167 8.660 0.507 1 1 334 . 17 1 1 A 40 40 SER CA C 40 58.188 57.709 0.479 1 1 335 . 17 1 1 A 40 40 SER HA H 40 4.633 4.762 -0.129 1 1 336 . 17 1 1 A 40 40 SER CB C 40 66.149 64.437 1.712 1 1 338 . 17 1 1 A 40 40 SER C C 40 172.625 173.426 -0.801 1 1 340 . 17 1 1 A 41 41 GLU N N 41 117.679 119.224 -1.545 1 1 341 . 17 1 1 A 41 41 GLU H H 41 8.773 9.090 -0.317 1 1 342 . 17 1 1 A 41 41 GLU CA C 41 54.060 54.602 -0.542 1 1 343 . 17 1 1 A 41 41 GLU HA H 41 5.629 4.910 0.719 1 1 344 . 17 1 1 A 41 41 GLU CB C 41 34.053 32.605 1.448 1 1 348 . 17 1 1 A 41 41 GLU C C 41 175.607 174.935 0.672 1 1 351 . 17 1 1 A 42 42 PHE N N 42 116.557 118.530 -1.973 1 1 352 . 17 1 1 A 42 42 PHE H H 42 8.753 8.191 0.562 1 1 353 . 17 1 1 A 42 42 PHE CA C 42 56.847 55.167 1.680 1 1 354 . 17 1 1 A 42 42 PHE HA H 42 4.743 5.640 -0.897 1 1 355 . 17 1 1 A 42 42 PHE CB C 42 40.908 42.550 -1.642 1 1 367 . 17 1 1 A 42 42 PHE C C 42 170.204 173.137 -2.933 1 1 369 . 17 1 1 A 43 43 PHE N N 43 118.643 120.152 -1.509 1 1 370 . 17 1 1 A 43 43 PHE H H 43 9.234 8.504 0.730 1 1 371 . 17 1 1 A 43 43 PHE CA C 43 57.292 57.131 0.161 1 1 372 . 17 1 1 A 43 43 PHE HA H 43 5.041 4.960 0.081 1 1 373 . 17 1 1 A 43 43 PHE CB C 43 42.583 40.638 1.945 1 1 385 . 17 1 1 A 43 43 PHE C C 43 174.177 175.272 -1.095 1 1 387 . 17 1 1 A 44 44 ILE N N 44 120.124 120.975 -0.851 1 1 388 . 17 1 1 A 44 44 ILE H H 44 8.876 8.554 0.322 1 1 389 . 17 1 1 A 44 44 ILE CA C 44 59.698 60.200 -0.502 1 1 390 . 17 1 1 A 44 44 ILE HA H 44 4.717 4.569 0.148 1 1 391 . 17 1 1 A 44 44 ILE CB C 44 40.591 39.654 0.937 1 1 403 . 17 1 1 A 44 44 ILE C C 44 174.483 175.237 -0.754 1 1 405 . 17 1 1 A 45 45 ASN N N 45 127.058 126.082 0.976 1 1 406 . 17 1 1 A 45 45 ASN H H 45 9.553 8.732 0.821 1 1 407 . 17 1 1 A 45 45 ASN CA C 45 52.099 52.872 -0.773 1 1 408 . 17 1 1 A 45 45 ASN HA H 45 5.380 4.835 0.545 1 1 409 . 17 1 1 A 45 45 ASN CB C 45 39.596 38.267 1.329 1 1 414 . 17 1 1 A 45 45 ASN C C 45 176.821 175.444 1.377 1 1 416 . 17 1 1 A 46 46 THR H H 46 9.223 8.662 0.561 1 1 417 . 17 1 1 A 46 46 THR CA C 46 61.534 60.844 0.690 1 1 418 . 17 1 1 A 46 46 THR HA H 46 4.368 4.619 -0.251 1 1 419 . 17 1 1 A 46 46 THR CB C 46 68.352 69.736 -1.384 1 1 425 . 17 1 1 A 46 46 THR C C 46 176.816 174.292 2.524 1 1 426 . 17 1 1 A 47 47 THR N N 47 116.732 117.632 -0.900 1 1 427 . 17 1 1 A 47 47 THR H H 47 8.368 7.946 0.422 1 1 428 . 17 1 1 A 47 47 THR CA C 47 65.916 63.474 2.442 1 1 429 . 17 1 1 A 47 47 THR HA H 47 4.032 4.291 -0.259 1 1 430 . 17 1 1 A 47 47 THR CB C 47 69.870 69.617 0.253 1 1 436 . 17 1 1 A 47 47 THR C C 47 176.865 175.689 1.176 1 1 437 . 17 1 1 A 48 48 ARG N N 48 119.205 120.431 -1.226 1 1 438 . 17 1 1 A 48 48 ARG H H 48 8.785 7.816 0.969 1 1 439 . 17 1 1 A 48 48 ARG CA C 48 56.273 56.716 -0.443 1 1 440 . 17 1 1 A 48 48 ARG HA H 48 4.488 4.465 0.023 1 1 441 . 17 1 1 A 48 48 ARG CB C 48 30.862 31.257 -0.395 1 1 447 . 17 1 1 A 48 48 ARG C C 48 176.314 178.245 -1.931 1 1 451 . 17 1 1 A 49 49 ALA N N 49 120.807 120.682 0.125 1 1 452 . 17 1 1 A 49 49 ALA H H 49 7.440 7.894 -0.454 1 1 453 . 17 1 1 A 49 49 ALA CA C 49 53.138 53.501 -0.363 1 1 454 . 17 1 1 A 49 49 ALA HA H 49 4.341 4.137 0.204 1 1 455 . 17 1 1 A 49 49 ALA CB C 49 22.427 19.477 2.950 1 1 459 . 17 1 1 A 49 49 ALA C C 49 177.914 178.203 -0.289 1 1 460 . 17 1 1 A 50 50 GLY N N 50 105.941 103.572 2.369 1 1 461 . 17 1 1 A 50 50 GLY H H 50 7.924 7.582 0.342 1 1 462 . 17 1 1 A 50 50 GLY CA C 50 44.229 44.399 -0.170 1 1 463 . 17 1 1 A 50 50 GLY HA3 H 50 4.325 4.218 0.107 1 1 464 . 17 1 1 A 50 50 GLY C C 50 171.089 173.867 -2.778 1 1 465 . 17 1 1 A 50 50 GLY HA2 H 50 3.948 4.134 -0.186 1 1 466 . 17 1 1 A 51 51 PRO CA C 51 63.140 65.302 -2.162 1 1 467 . 17 1 1 A 51 51 PRO HA H 51 4.588 4.525 0.063 1 1 468 . 17 1 1 A 51 51 PRO CB C 51 33.004 32.036 0.968 1 1 477 . 17 1 1 A 52 52 GLY CA C 52 45.195 47.266 -2.071 1 1 478 . 17 1 1 A 52 52 GLY HA3 H 52 3.275 3.856 -0.581 1 1 479 . 17 1 1 A 52 52 GLY HA2 H 52 3.852 3.855 -0.003 1 1 480 . 17 1 1 A 53 53 THR N N 53 114.003 117.271 -3.268 1 1 481 . 17 1 1 A 53 53 THR H H 53 8.049 8.245 -0.196 1 1 482 . 17 1 1 A 53 53 THR CA C 53 62.352 60.564 1.788 1 1 483 . 17 1 1 A 53 53 THR HA H 53 4.436 5.072 -0.636 1 1 484 . 17 1 1 A 53 53 THR CB C 53 69.631 70.632 -1.001 1 1 490 . 17 1 1 A 54 54 LEU CA C 54 53.891 54.080 -0.189 1 1 491 . 17 1 1 A 54 54 LEU HA H 54 5.077 4.761 0.316 1 1 492 . 17 1 1 A 54 54 LEU CB C 54 44.515 42.541 1.974 1 1 503 . 17 1 1 A 55 55 SER N N 55 120.726 124.503 -3.777 1 1 504 . 17 1 1 A 55 55 SER H H 55 8.783 8.764 0.019 1 1 505 . 17 1 1 A 55 55 SER CA C 55 56.249 57.854 -1.605 1 1 506 . 17 1 1 A 55 55 SER HA H 55 5.092 5.045 0.047 1 1 507 . 17 1 1 A 55 55 SER CB C 55 65.032 64.158 0.874 1 1 509 . 17 1 1 A 55 55 SER C C 55 173.165 172.985 0.180 1 1 511 . 17 1 1 A 56 56 VAL N N 56 126.234 126.416 -0.182 1 1 512 . 17 1 1 A 56 56 VAL H H 56 8.336 9.056 -0.720 1 1 513 . 17 1 1 A 56 56 VAL CA C 56 60.515 59.861 0.654 1 1 514 . 17 1 1 A 56 56 VAL HA H 56 5.134 5.082 0.052 1 1 515 . 17 1 1 A 56 56 VAL CB C 56 34.463 34.885 -0.422 1 1 520 . 17 1 1 A 56 56 VAL C C 56 174.718 173.868 0.850 1 1 521 . 17 1 1 A 57 57 THR N N 57 120.539 121.195 -0.656 1 1 522 . 17 1 1 A 57 57 THR H H 57 8.828 9.181 -0.353 1 1 523 . 17 1 1 A 57 57 THR CA C 57 60.580 61.231 -0.651 1 1 524 . 17 1 1 A 57 57 THR HA H 57 5.132 4.890 0.242 1 1 525 . 17 1 1 A 57 57 THR CB C 57 72.187 72.007 0.180 1 1 531 . 17 1 1 A 57 57 THR C C 57 172.970 173.552 -0.582 1 1 532 . 17 1 1 A 58 58 ILE N N 58 123.949 124.528 -0.579 1 1 533 . 17 1 1 A 58 58 ILE H H 58 9.249 8.799 0.450 1 1 534 . 17 1 1 A 58 58 ILE CA C 58 61.297 60.087 1.210 1 1 535 . 17 1 1 A 58 58 ILE HA H 58 5.001 5.163 -0.162 1 1 536 . 17 1 1 A 58 58 ILE CB C 58 39.755 42.271 -2.516 1 1 548 . 17 1 1 A 58 58 ILE C C 58 174.848 174.428 0.420 1 1 550 . 17 1 1 A 59 59 GLU N N 59 129.027 124.247 4.780 1 1 551 . 17 1 1 A 59 59 GLU H H 59 8.966 9.072 -0.106 1 1 552 . 17 1 1 A 59 59 GLU CA C 59 53.911 54.773 -0.862 1 1 553 . 17 1 1 A 59 59 GLU HA H 59 5.427 5.234 0.193 1 1 554 . 17 1 1 A 59 59 GLU CB C 59 33.843 33.430 0.413 1 1 558 . 17 1 1 A 59 59 GLU C C 59 175.342 176.197 -0.855 1 1 561 . 17 1 1 A 60 60 GLY N N 60 110.765 109.171 1.594 1 1 562 . 17 1 1 A 60 60 GLY H H 60 8.597 8.176 0.421 1 1 563 . 17 1 1 A 60 60 GLY CA C 60 45.997 44.791 1.206 1 1 564 . 17 1 1 A 60 60 GLY HA3 H 60 3.908 3.741 0.167 1 1 565 . 17 1 1 A 60 60 GLY C C 60 171.205 173.804 -2.599 1 1 566 . 17 1 1 A 60 60 GLY HA2 H 60 3.685 3.270 0.415 1 1 567 . 17 1 1 A 61 61 PRO CA C 61 64.057 63.825 0.232 1 1 568 . 17 1 1 A 61 61 PRO HA H 61 4.415 4.351 0.064 1 1 569 . 17 1 1 A 61 61 PRO CB C 61 32.143 31.763 0.380 1 1 575 . 17 1 1 A 61 61 PRO C C 61 175.925 176.444 -0.519 1 1 579 . 17 1 1 A 62 62 SER N N 62 108.413 114.456 -6.043 1 1 580 . 17 1 1 A 62 62 SER H H 62 7.144 7.584 -0.440 1 1 581 . 17 1 1 A 62 62 SER CA C 62 57.037 58.108 -1.071 1 1 582 . 17 1 1 A 62 62 SER HA H 62 4.596 4.881 -0.285 1 1 583 . 17 1 1 A 62 62 SER CB C 62 66.522 65.550 0.972 1 1 585 . 17 1 1 A 62 62 SER C C 62 172.446 173.892 -1.446 1 1 587 . 17 1 1 A 63 63 LYS N N 63 122.539 126.337 -3.798 1 1 588 . 17 1 1 A 63 63 LYS H H 63 8.620 8.669 -0.049 1 1 589 . 17 1 1 A 63 63 LYS CA C 63 56.407 57.737 -1.330 1 1 590 . 17 1 1 A 63 63 LYS HA H 63 4.267 4.227 0.040 1 1 591 . 17 1 1 A 63 63 LYS CB C 63 32.576 33.206 -0.630 1 1 596 . 17 1 1 A 63 63 LYS C C 63 176.658 176.561 0.097 1 1 601 . 17 1 1 A 64 64 VAL N N 64 120.278 118.844 1.434 1 1 602 . 17 1 1 A 64 64 VAL H H 64 8.554 8.821 -0.267 1 1 603 . 17 1 1 A 64 64 VAL CA C 64 60.425 59.050 1.375 1 1 604 . 17 1 1 A 64 64 VAL HA H 64 4.460 4.905 -0.445 1 1 605 . 17 1 1 A 64 64 VAL CB C 64 32.938 35.614 -2.676 1 1 615 . 17 1 1 A 64 64 VAL C C 64 176.629 174.663 1.966 1 1 616 . 17 1 1 A 65 65 LYS N N 65 121.529 123.289 -1.760 1 1 617 . 17 1 1 A 65 65 LYS H H 65 8.139 8.393 -0.254 1 1 618 . 17 1 1 A 65 65 LYS CA C 65 56.181 55.958 0.223 1 1 619 . 17 1 1 A 65 65 LYS HA H 65 4.474 4.591 -0.117 1 1 620 . 17 1 1 A 65 65 LYS CB C 65 32.960 33.002 -0.042 1 1 627 . 17 1 1 A 65 65 LYS C C 65 176.309 175.800 0.509 1 1 632 . 17 1 1 A 66 66 MET N N 66 125.382 122.874 2.508 1 1 633 . 17 1 1 A 66 66 MET H H 66 8.811 8.962 -0.151 1 1 634 . 17 1 1 A 66 66 MET CA C 66 55.055 53.809 1.246 1 1 635 . 17 1 1 A 66 66 MET HA H 66 5.393 5.234 0.159 1 1 636 . 17 1 1 A 66 66 MET CB C 66 37.398 34.590 2.808 1 1 644 . 17 1 1 A 66 66 MET C C 66 174.026 174.915 -0.889 1 1 647 . 17 1 1 A 67 67 ASP N N 67 122.714 124.528 -1.814 1 1 648 . 17 1 1 A 67 67 ASP H H 67 8.995 8.609 0.386 1 1 649 . 17 1 1 A 67 67 ASP CA C 67 53.231 52.333 0.898 1 1 650 . 17 1 1 A 67 67 ASP HA H 67 4.854 4.979 -0.125 1 1 651 . 17 1 1 A 67 67 ASP CB C 67 44.980 41.138 3.842 1 1 654 . 17 1 1 A 68 68 CYS H H 68 8.412 8.740 -0.328 1 1 655 . 17 1 1 A 68 68 CYS CA C 68 56.390 59.272 -2.882 1 1 656 . 17 1 1 A 68 68 CYS HA H 68 5.288 4.362 0.926 1 1 657 . 17 1 1 A 68 68 CYS CB C 68 28.188 27.834 0.354 1 1 660 . 17 1 1 A 69 69 GLN N N 69 125.044 127.867 -2.823 1 1 661 . 17 1 1 A 69 69 GLN H H 69 9.116 8.781 0.335 1 1 662 . 17 1 1 A 69 69 GLN CA C 69 56.403 54.138 2.265 1 1 663 . 17 1 1 A 69 69 GLN HA H 69 5.290 5.095 0.195 1 1 664 . 17 1 1 A 69 69 GLN CB C 69 32.962 32.090 0.872 1 1 671 . 17 1 1 A 70 70 GLU N N 70 125.781 124.702 1.079 1 1 672 . 17 1 1 A 70 70 GLU H H 70 8.979 8.765 0.214 1 1 673 . 17 1 1 A 70 70 GLU CA C 70 56.418 56.454 -0.036 1 1 674 . 17 1 1 A 70 70 GLU HA H 70 4.029 4.359 -0.330 1 1 675 . 17 1 1 A 70 70 GLU CB C 70 30.585 30.346 0.239 1 1 681 . 17 1 1 A 71 71 THR N N 71 118.158 110.904 7.254 1 1 682 . 17 1 1 A 71 71 THR H H 71 8.455 8.415 0.040 1 1 683 . 17 1 1 A 71 71 THR CA C 71 59.209 58.630 0.579 1 1 684 . 17 1 1 A 71 71 THR HA H 71 4.902 4.838 0.064 1 1 685 . 17 1 1 A 71 71 THR CB C 71 68.926 70.851 -1.925 1 1 691 . 17 1 1 A 72 72 PRO CA C 72 65.290 64.196 1.094 1 1 692 . 17 1 1 A 72 72 PRO HA H 72 4.296 4.431 -0.135 1 1 693 . 17 1 1 A 72 72 PRO CB C 72 31.848 31.558 0.290 1 1 699 . 17 1 1 A 72 72 PRO C C 72 177.476 177.810 -0.334 1 1 703 . 17 1 1 A 73 73 GLU N N 73 112.293 118.276 -5.983 1 1 704 . 17 1 1 A 73 73 GLU H H 73 7.562 8.402 -0.840 1 1 705 . 17 1 1 A 73 73 GLU CA C 73 55.577 57.403 -1.826 1 1 706 . 17 1 1 A 73 73 GLU HA H 73 4.370 4.446 -0.076 1 1 707 . 17 1 1 A 73 73 GLU CB C 73 30.787 31.804 -1.017 1 1 711 . 17 1 1 A 73 73 GLU C C 73 174.438 176.727 -2.289 1 1 714 . 17 1 1 A 74 74 GLY N N 74 109.223 106.052 3.171 1 1 715 . 17 1 1 A 74 74 GLY H H 74 7.324 7.073 0.251 1 1 716 . 17 1 1 A 74 74 GLY CA C 74 47.146 45.994 1.152 1 1 717 . 17 1 1 A 74 74 GLY HA3 H 74 3.551 4.094 -0.543 1 1 718 . 17 1 1 A 74 74 GLY C C 74 172.589 171.208 1.381 1 1 719 . 17 1 1 A 74 74 GLY HA2 H 74 4.949 4.008 0.941 1 1 720 . 17 1 1 A 75 75 TYR N N 75 123.117 116.998 6.119 1 1 721 . 17 1 1 A 75 75 TYR H H 75 8.883 8.113 0.770 1 1 722 . 17 1 1 A 75 75 TYR CA C 75 57.566 56.699 0.867 1 1 723 . 17 1 1 A 75 75 TYR HA H 75 5.171 5.165 0.006 1 1 724 . 17 1 1 A 75 75 TYR CB C 75 44.111 42.156 1.955 1 1 734 . 17 1 1 A 75 75 TYR C C 75 173.925 174.143 -0.218 1 1 736 . 17 1 1 A 76 76 LYS N N 76 124.633 125.260 -0.627 1 1 737 . 17 1 1 A 76 76 LYS H H 76 9.390 8.696 0.694 1 1 738 . 17 1 1 A 76 76 LYS CA C 76 55.055 55.800 -0.745 1 1 739 . 17 1 1 A 76 76 LYS HA H 76 4.594 4.417 0.177 1 1 740 . 17 1 1 A 76 76 LYS CB C 76 35.124 33.415 1.709 1 1 748 . 17 1 1 A 76 76 LYS C C 76 174.069 174.831 -0.762 1 1 753 . 17 1 1 A 77 77 VAL N N 77 126.947 127.523 -0.576 1 1 754 . 17 1 1 A 77 77 VAL H H 77 8.607 8.118 0.489 1 1 755 . 17 1 1 A 77 77 VAL CA C 77 60.894 61.086 -0.192 1 1 756 . 17 1 1 A 77 77 VAL HA H 77 4.280 4.491 -0.211 1 1 757 . 17 1 1 A 77 77 VAL CB C 77 32.115 32.291 -0.176 1 1 767 . 17 1 1 A 77 77 VAL C C 77 173.586 174.924 -1.338 1 1 768 . 17 1 1 A 78 78 MET N N 78 123.986 125.980 -1.994 1 1 769 . 17 1 1 A 78 78 MET H H 78 8.410 9.058 -0.648 1 1 770 . 17 1 1 A 78 78 MET CA C 78 53.236 54.225 -0.989 1 1 771 . 17 1 1 A 78 78 MET HA H 78 5.290 5.526 -0.236 1 1 772 . 17 1 1 A 78 78 MET CB C 78 36.873 35.790 1.083 1 1 780 . 17 1 1 A 78 78 MET C C 78 174.665 174.681 -0.016 1 1 783 . 17 1 1 A 79 79 TYR N N 79 117.488 118.246 -0.758 1 1 784 . 17 1 1 A 79 79 TYR H H 79 8.739 8.110 0.629 1 1 785 . 17 1 1 A 79 79 TYR CA C 79 56.011 56.380 -0.369 1 1 786 . 17 1 1 A 79 79 TYR HA H 79 5.654 5.246 0.408 1 1 787 . 17 1 1 A 79 79 TYR CB C 79 41.549 41.203 0.346 1 1 797 . 17 1 1 A 79 79 TYR C C 79 172.927 172.715 0.212 1 1 799 . 17 1 1 A 80 80 THR H H 80 8.383 8.737 -0.354 1 1 800 . 17 1 1 A 80 80 THR CA C 80 58.611 58.954 -0.343 1 1 801 . 17 1 1 A 80 80 THR HA H 80 4.978 4.814 0.164 1 1 802 . 17 1 1 A 80 80 THR CB C 80 70.258 71.044 -0.786 1 1 808 . 17 1 1 A 81 81 PRO CA C 81 61.531 62.684 -1.153 1 1 809 . 17 1 1 A 81 81 PRO HA H 81 4.532 4.705 -0.173 1 1 810 . 17 1 1 A 81 81 PRO CB C 81 32.774 31.466 1.308 1 1 819 . 17 1 1 A 82 82 MET N N 82 117.590 120.677 -3.087 1 1 820 . 17 1 1 A 82 82 MET H H 82 8.299 8.867 -0.568 1 1 821 . 17 1 1 A 82 82 MET CA C 82 53.882 58.310 -4.428 1 1 822 . 17 1 1 A 82 82 MET HA H 82 4.851 4.356 0.495 1 1 823 . 17 1 1 A 82 82 MET CB C 82 33.337 34.447 -1.110 1 1 831 . 17 1 1 A 82 82 MET C C 82 174.339 176.031 -1.692 1 1 834 . 17 1 1 A 83 83 ALA N N 83 119.196 120.715 -1.519 1 1 835 . 17 1 1 A 83 83 ALA H H 83 7.076 7.793 -0.717 1 1 836 . 17 1 1 A 83 83 ALA CA C 83 49.425 49.542 -0.117 1 1 837 . 17 1 1 A 83 83 ALA HA H 83 4.791 4.779 0.012 1 1 838 . 17 1 1 A 83 83 ALA CB C 83 20.682 20.971 -0.289 1 1 842 . 17 1 1 A 83 83 ALA C C 83 174.364 175.101 -0.737 1 1 843 . 17 1 1 A 84 84 PRO CA C 84 62.540 63.392 -0.852 1 1 844 . 17 1 1 A 84 84 PRO HA H 84 4.244 4.554 -0.310 1 1 845 . 17 1 1 A 84 84 PRO CB C 84 32.615 33.122 -0.507 1 1 851 . 17 1 1 A 84 84 PRO C C 84 174.214 176.150 -1.936 1 1 855 . 17 1 1 A 85 85 GLY N N 85 105.436 108.136 -2.700 1 1 856 . 17 1 1 A 85 85 GLY H H 85 8.855 8.293 0.562 1 1 857 . 17 1 1 A 85 85 GLY CA C 85 44.156 44.110 0.046 1 1 858 . 17 1 1 A 85 85 GLY HA3 H 85 3.761 4.182 -0.421 1 1 859 . 17 1 1 A 85 85 GLY C C 85 171.801 172.386 -0.585 1 1 860 . 17 1 1 A 85 85 GLY HA2 H 85 4.515 4.179 0.336 1 1 861 . 17 1 1 A 86 86 ASN N N 86 119.042 119.326 -0.284 1 1 862 . 17 1 1 A 86 86 ASN H H 86 8.573 8.365 0.208 1 1 863 . 17 1 1 A 86 86 ASN CA C 86 52.499 52.866 -0.367 1 1 864 . 17 1 1 A 86 86 ASN HA H 86 5.517 5.366 0.151 1 1 865 . 17 1 1 A 86 86 ASN CB C 86 39.390 39.594 -0.204 1 1 870 . 17 1 1 A 86 86 ASN C C 86 174.453 174.355 0.098 1 1 872 . 17 1 1 A 87 87 TYR N N 87 122.992 123.120 -0.128 1 1 873 . 17 1 1 A 87 87 TYR H H 87 9.369 8.999 0.370 1 1 874 . 17 1 1 A 87 87 TYR CA C 87 56.366 56.313 0.053 1 1 875 . 17 1 1 A 87 87 TYR HA H 87 5.140 5.537 -0.397 1 1 876 . 17 1 1 A 87 87 TYR CB C 87 40.267 41.516 -1.249 1 1 886 . 17 1 1 A 87 87 TYR C C 87 174.332 174.478 -0.146 1 1 888 . 17 1 1 A 88 88 LEU N N 88 124.720 122.982 1.738 1 1 889 . 17 1 1 A 88 88 LEU H H 88 9.306 9.096 0.210 1 1 890 . 17 1 1 A 88 88 LEU CA C 88 53.426 53.739 -0.313 1 1 891 . 17 1 1 A 88 88 LEU HA H 88 5.253 5.363 -0.110 1 1 892 . 17 1 1 A 88 88 LEU CB C 88 44.487 45.743 -1.256 1 1 904 . 17 1 1 A 88 88 LEU C C 88 177.074 174.442 2.632 1 1 906 . 17 1 1 A 89 89 ILE N N 89 130.469 128.413 2.056 1 1 907 . 17 1 1 A 89 89 ILE H H 89 9.807 9.145 0.662 1 1 908 . 17 1 1 A 89 89 ILE CA C 89 60.792 60.217 0.575 1 1 909 . 17 1 1 A 89 89 ILE HA H 89 4.851 4.929 -0.078 1 1 910 . 17 1 1 A 89 89 ILE CB C 89 39.662 38.874 0.788 1 1 922 . 17 1 1 A 89 89 ILE C C 89 175.605 174.626 0.979 1 1 924 . 17 1 1 A 90 90 SER N N 90 123.845 123.586 0.259 1 1 925 . 17 1 1 A 90 90 SER H H 90 9.540 9.208 0.332 1 1 926 . 17 1 1 A 90 90 SER CA C 90 58.036 57.059 0.977 1 1 927 . 17 1 1 A 90 90 SER HA H 90 5.199 5.377 -0.178 1 1 928 . 17 1 1 A 90 90 SER CB C 90 64.133 64.493 -0.360 1 1 930 . 17 1 1 A 90 90 SER C C 90 173.566 173.803 -0.237 1 1 932 . 17 1 1 A 91 91 VAL N N 91 128.427 126.874 1.553 1 1 933 . 17 1 1 A 91 91 VAL H H 91 9.918 8.463 1.455 1 1 934 . 17 1 1 A 91 91 VAL CA C 91 61.447 60.973 0.474 1 1 935 . 17 1 1 A 91 91 VAL HA H 91 4.837 5.041 -0.204 1 1 936 . 17 1 1 A 91 91 VAL CB C 91 33.761 35.354 -1.593 1 1 946 . 17 1 1 A 91 91 VAL C C 91 173.296 174.805 -1.509 1 1 947 . 17 1 1 A 92 92 LYS N N 92 125.779 125.696 0.083 1 1 948 . 17 1 1 A 92 92 LYS H H 92 8.892 9.078 -0.186 1 1 949 . 17 1 1 A 92 92 LYS CA C 92 54.468 54.700 -0.232 1 1 950 . 17 1 1 A 92 92 LYS HA H 92 5.065 5.078 -0.013 1 1 951 . 17 1 1 A 92 92 LYS CB C 92 36.106 36.919 -0.813 1 1 959 . 17 1 1 A 92 92 LYS C C 92 175.189 174.567 0.622 1 1 964 . 17 1 1 A 93 93 TYR N N 93 120.251 124.489 -4.238 1 1 965 . 17 1 1 A 93 93 TYR H H 93 8.061 9.116 -1.055 1 1 966 . 17 1 1 A 93 93 TYR CA C 93 56.884 57.511 -0.627 1 1 967 . 17 1 1 A 93 93 TYR HA H 93 5.522 4.936 0.586 1 1 968 . 17 1 1 A 93 93 TYR CB C 93 44.120 41.267 2.853 1 1 978 . 17 1 1 A 93 93 TYR C C 93 175.517 175.537 -0.020 1 1 980 . 17 1 1 A 94 94 GLY N N 94 114.148 114.533 -0.385 1 1 981 . 17 1 1 A 94 94 GLY H H 94 8.274 8.571 -0.297 1 1 982 . 17 1 1 A 94 94 GLY CA C 94 45.959 46.832 -0.873 1 1 983 . 17 1 1 A 94 94 GLY HA3 H 94 3.705 3.636 0.069 1 1 984 . 17 1 1 A 94 94 GLY C C 94 173.595 174.135 -0.540 1 1 985 . 17 1 1 A 94 94 GLY HA2 H 94 3.877 3.542 0.335 1 1 986 . 17 1 1 A 95 95 GLY N N 95 107.010 109.382 -2.372 1 1 987 . 17 1 1 A 95 95 GLY H H 95 7.452 8.308 -0.856 1 1 988 . 17 1 1 A 95 95 GLY CA C 95 43.954 44.487 -0.533 1 1 989 . 17 1 1 A 95 95 GLY HA3 H 95 3.618 4.026 -0.408 1 1 990 . 17 1 1 A 95 95 GLY C C 95 172.825 173.789 -0.964 1 1 991 . 17 1 1 A 95 95 GLY HA2 H 95 4.507 4.022 0.485 1 1 992 . 17 1 1 A 96 96 PRO CA C 96 63.221 63.684 -0.463 1 1 993 . 17 1 1 A 96 96 PRO HA H 96 4.413 4.551 -0.138 1 1 994 . 17 1 1 A 96 96 PRO CB C 96 30.955 31.852 -0.897 1 1 1000 . 17 1 1 A 96 96 PRO C C 96 175.901 176.391 -0.490 1 1 1004 . 17 1 1 A 97 97 ASN N N 97 119.942 116.454 3.488 1 1 1005 . 17 1 1 A 97 97 ASN H H 97 8.172 7.834 0.338 1 1 1006 . 17 1 1 A 97 97 ASN CA C 97 52.914 53.062 -0.148 1 1 1007 . 17 1 1 A 97 97 ASN HA H 97 4.864 4.596 0.268 1 1 1008 . 17 1 1 A 97 97 ASN CB C 97 39.806 38.902 0.904 1 1 1013 . 17 1 1 A 97 97 ASN C C 97 174.285 175.464 -1.179 1 1 1015 . 17 1 1 A 98 98 HIS N N 98 121.803 118.937 2.866 1 1 1016 . 17 1 1 A 98 98 HIS H H 98 8.456 8.249 0.207 1 1 1017 . 17 1 1 A 98 98 HIS CA C 98 58.023 54.076 3.947 1 1 1018 . 17 1 1 A 98 98 HIS HA H 98 4.475 5.153 -0.678 1 1 1019 . 17 1 1 A 98 98 HIS CB C 98 33.382 32.178 1.204 1 1 1025 . 17 1 1 A 98 98 HIS C C 98 177.938 175.433 2.505 1 1 1027 . 17 1 1 A 99 99 ILE N N 99 115.599 115.961 -0.362 1 1 1028 . 17 1 1 A 99 99 ILE H H 99 8.237 7.906 0.331 1 1 1029 . 17 1 1 A 99 99 ILE CA C 99 60.895 59.489 1.406 1 1 1030 . 17 1 1 A 99 99 ILE HA H 99 4.545 4.506 0.039 1 1 1031 . 17 1 1 A 99 99 ILE CB C 99 38.675 40.268 -1.593 1 1 1043 . 17 1 1 A 99 99 ILE C C 99 176.165 176.095 0.070 1 1 1045 . 17 1 1 A 100 100 VAL H H 100 8.389 8.489 -0.100 1 1 1046 . 17 1 1 A 100 100 VAL CA C 100 65.835 65.645 0.190 1 1 1047 . 17 1 1 A 100 100 VAL HA H 100 3.673 3.610 0.063 1 1 1048 . 17 1 1 A 100 100 VAL CB C 100 31.169 31.413 -0.244 1 1 1058 . 17 1 1 A 101 101 GLY N N 101 116.014 115.597 0.417 1 1 1059 . 17 1 1 A 101 101 GLY H H 101 8.297 8.884 -0.587 1 1 1060 . 17 1 1 A 101 101 GLY CA C 101 44.626 45.124 -0.498 1 1 1061 . 17 1 1 A 101 101 GLY HA3 H 101 3.227 3.931 -0.704 1 1 1062 . 17 1 1 A 101 101 GLY C C 101 171.863 173.770 -1.907 1 1 1063 . 17 1 1 A 101 101 GLY HA2 H 101 4.207 3.888 0.319 1 1 1064 . 17 1 1 A 102 102 SER N N 102 111.977 117.506 -5.529 1 1 1065 . 17 1 1 A 102 102 SER H H 102 7.304 7.545 -0.241 1 1 1066 . 17 1 1 A 102 102 SER CA C 102 54.570 55.267 -0.697 1 1 1067 . 17 1 1 A 102 102 SER HA H 102 3.915 3.533 0.382 1 1 1068 . 17 1 1 A 102 102 SER CB C 102 62.569 63.801 -1.232 1 1 1071 . 17 1 1 A 103 103 PRO CA C 103 62.215 62.156 0.059 1 1 1072 . 17 1 1 A 103 103 PRO HA H 103 5.475 4.415 1.060 1 1 1073 . 17 1 1 A 103 103 PRO CB C 103 33.552 32.429 1.123 1 1 1079 . 17 1 1 A 103 103 PRO C C 103 175.646 174.800 0.846 1 1 1083 . 17 1 1 A 104 104 PHE N N 104 123.291 119.580 3.711 1 1 1084 . 17 1 1 A 104 104 PHE H H 104 9.465 8.298 1.167 1 1 1085 . 17 1 1 A 104 104 PHE CA C 104 57.015 56.453 0.562 1 1 1086 . 17 1 1 A 104 104 PHE HA H 104 4.531 5.026 -0.495 1 1 1087 . 17 1 1 A 104 104 PHE CB C 104 40.607 41.342 -0.735 1 1 1099 . 17 1 1 A 104 104 PHE C C 104 175.305 174.844 0.461 1 1 1101 . 17 1 1 A 105 105 LYS N N 105 123.989 123.840 0.149 1 1 1102 . 17 1 1 A 105 105 LYS H H 105 8.712 8.812 -0.100 1 1 1103 . 17 1 1 A 105 105 LYS CA C 105 55.868 55.118 0.750 1 1 1104 . 17 1 1 A 105 105 LYS HA H 105 4.913 4.761 0.152 1 1 1105 . 17 1 1 A 105 105 LYS CB C 105 32.762 32.181 0.581 1 1 1113 . 17 1 1 A 105 105 LYS C C 105 174.065 175.262 -1.197 1 1 1118 . 17 1 1 A 106 106 ALA N N 106 129.654 128.266 1.388 1 1 1119 . 17 1 1 A 106 106 ALA H H 106 8.964 8.527 0.437 1 1 1120 . 17 1 1 A 106 106 ALA CA C 106 50.325 50.496 -0.171 1 1 1121 . 17 1 1 A 106 106 ALA HA H 106 4.497 5.279 -0.782 1 1 1122 . 17 1 1 A 106 106 ALA CB C 106 20.496 21.050 -0.554 1 1 1126 . 17 1 1 A 106 106 ALA C C 106 176.111 175.562 0.549 1 1 1127 . 17 1 1 A 107 107 LYS N N 107 124.155 123.136 1.019 1 1 1128 . 17 1 1 A 107 107 LYS H H 107 7.955 8.674 -0.719 1 1 1129 . 17 1 1 A 107 107 LYS CA C 107 55.904 54.821 1.083 1 1 1130 . 17 1 1 A 107 107 LYS HA H 107 4.950 4.958 -0.008 1 1 1131 . 17 1 1 A 107 107 LYS CB C 107 33.755 34.999 -1.244 1 1 1139 . 17 1 1 A 107 107 LYS C C 107 175.350 175.405 -0.055 1 1 1144 . 17 1 1 A 108 108 VAL N N 108 128.726 127.628 1.098 1 1 1145 . 17 1 1 A 108 108 VAL H H 108 9.373 9.059 0.314 1 1 1146 . 17 1 1 A 108 108 VAL CA C 108 60.804 61.398 -0.594 1 1 1147 . 17 1 1 A 108 108 VAL HA H 108 4.851 4.713 0.138 1 1 1148 . 17 1 1 A 108 108 VAL CB C 108 33.175 33.061 0.114 1 1 1158 . 17 1 1 A 108 108 VAL C C 108 177.017 176.225 0.792 1 1 1159 . 17 1 1 A 109 109 THR N N 109 121.067 116.983 4.084 1 1 1160 . 17 1 1 A 109 109 THR H H 109 8.527 8.229 0.298 1 1 1161 . 17 1 1 A 109 109 THR CA C 109 60.138 60.426 -0.288 1 1 1162 . 17 1 1 A 109 109 THR HA H 109 4.864 4.804 0.060 1 1 1163 . 17 1 1 A 109 109 THR CB C 109 70.960 70.710 0.250 1 1 1169 . 17 1 1 A 109 109 THR C C 109 173.130 173.897 -0.767 1 1 1170 . 17 1 1 A 110 110 GLY N N 110 106.893 108.916 -2.023 1 1 1171 . 17 1 1 A 110 110 GLY H H 110 8.404 8.559 -0.155 1 1 1172 . 17 1 1 A 110 110 GLY CA C 110 43.888 44.425 -0.537 1 1 1173 . 17 1 1 A 110 110 GLY HA3 H 110 3.851 4.120 -0.269 1 1 1174 . 17 1 1 A 110 110 GLY C C 110 173.870 174.106 -0.236 1 1 1175 . 17 1 1 A 110 110 GLY HA2 H 110 4.773 4.117 0.656 1 1 1176 . 17 1 1 A 111 111 GLN N N 111 116.999 117.635 -0.636 1 1 1177 . 17 1 1 A 111 111 GLN H H 111 8.234 8.416 -0.182 1 1 1178 . 17 1 1 A 111 111 GLN CA C 111 55.230 56.365 -1.135 1 1 1179 . 17 1 1 A 111 111 GLN HA H 111 4.269 4.611 -0.342 1 1 1180 . 17 1 1 A 111 111 GLN CB C 111 30.118 30.051 0.067 1 1 1187 . 17 1 1 A 111 111 GLN C C 111 176.550 175.772 0.778 1 1 1190 . 17 1 1 A 112 112 ARG N N 112 122.131 118.970 3.161 1 1 1191 . 17 1 1 A 112 112 ARG H H 112 8.832 7.606 1.226 1 1 1192 . 17 1 1 A 112 112 ARG CA C 112 57.384 55.688 1.696 1 1 1193 . 17 1 1 A 112 112 ARG HA H 112 4.300 4.678 -0.378 1 1 1194 . 17 1 1 A 112 112 ARG CB C 112 30.059 33.272 -3.213 1 1 1200 . 17 1 1 A 112 112 ARG C C 112 175.836 174.214 1.622 1 1 1204 . 17 1 1 A 113 113 LEU N N 113 126.764 127.691 -0.927 1 1 1205 . 17 1 1 A 113 113 LEU H H 113 8.424 8.685 -0.261 1 1 1206 . 17 1 1 A 113 113 LEU CA C 113 54.919 55.381 -0.462 1 1 1207 . 17 1 1 A 113 113 LEU HA H 113 4.517 4.369 0.148 1 1 1208 . 17 1 1 A 113 113 LEU CB C 113 42.706 41.960 0.746 1 1 1220 . 17 1 1 A 113 113 LEU C C 113 176.521 177.778 -1.257 1 1 1222 . 17 1 1 A 116 116 PRO CA C 116 63.729 63.807 -0.078 1 1 1223 . 17 1 1 A 116 116 PRO HA H 116 4.436 4.474 -0.038 1 1 1224 . 17 1 1 A 116 116 PRO CB C 116 32.182 31.751 0.431 1 1 1233 . 17 1 1 A 117 117 GLY N N 117 110.092 108.724 1.368 1 1 1234 . 17 1 1 A 117 117 GLY H H 117 8.493 7.942 0.551 1 1 1235 . 17 1 1 A 118 118 SER CA C 118 58.420 57.422 0.998 1 1 1236 . 17 1 1 A 118 118 SER HA H 118 4.454 5.131 -0.677 1 1 1237 . 17 1 1 A 118 118 SER CB C 118 64.014 64.876 -0.862 1 1 1239 . 17 1 1 A 118 118 SER C C 118 174.495 172.615 1.880 1 1 1241 . 17 1 1 A 119 119 ALA N N 119 125.244 124.937 0.307 1 1 1242 . 17 1 1 A 119 119 ALA H H 119 8.365 8.758 -0.393 1 1 1243 . 17 1 1 A 119 119 ALA CA C 119 52.697 50.852 1.845 1 1 1244 . 17 1 1 A 119 119 ALA HA H 119 4.333 5.280 -0.947 1 1 1245 . 17 1 1 A 119 119 ALA CB C 119 19.378 21.634 -2.256 1 1 1249 . 17 1 1 A 119 119 ALA C C 119 177.362 175.729 1.633 1 1 1250 . 17 1 1 A 120 120 ASN N N 120 117.122 120.120 -2.998 1 1 1251 . 17 1 1 A 120 120 ASN H H 120 8.311 8.877 -0.566 1 1 1252 . 17 1 1 A 120 120 ASN CA C 120 53.198 52.295 0.903 1 1 1253 . 17 1 1 A 120 120 ASN HA H 120 4.659 5.411 -0.752 1 1 1254 . 17 1 1 A 120 120 ASN CB C 120 38.852 41.743 -2.891 1 1 1259 . 17 1 1 A 120 120 ASN C C 120 175.112 172.884 2.228 1 1 1261 . 17 1 1 A 122 122 THR CA C 122 61.947 60.453 1.494 1 1 1262 . 17 1 1 A 122 122 THR HA H 122 4.197 5.099 -0.902 1 1 1263 . 17 1 1 A 122 122 THR CB C 122 69.949 71.324 -1.375 1 1 1 . 18 1 1 A 9 9 LYS N N 9 120.806 125.269 -4.463 1 1 2 . 18 1 1 A 9 9 LYS H H 9 8.548 8.181 0.367 1 1 3 . 18 1 1 A 9 9 LYS CA C 9 56.358 56.610 -0.252 1 1 4 . 18 1 1 A 9 9 LYS HA H 9 4.261 4.523 -0.262 1 1 5 . 18 1 1 A 9 9 LYS CB C 9 32.673 32.736 -0.063 1 1 17 . 18 1 1 A 10 10 VAL HA H 10 4.307 4.791 -0.484 1 1 18 . 18 1 1 A 10 10 VAL CB C 10 34.845 34.906 -0.061 1 1 24 . 18 1 1 A 11 11 ARG N N 11 125.757 129.393 -3.636 1 1 25 . 18 1 1 A 11 11 ARG H H 11 8.546 9.183 -0.637 1 1 26 . 18 1 1 A 11 11 ARG CA C 11 55.966 54.834 1.132 1 1 27 . 18 1 1 A 11 11 ARG HA H 11 4.463 4.886 -0.423 1 1 28 . 18 1 1 A 11 11 ARG CB C 11 30.834 32.178 -1.344 1 1 37 . 18 1 1 A 12 12 VAL CA C 12 62.370 61.028 1.342 1 1 38 . 18 1 1 A 12 12 VAL HA H 12 4.205 4.501 -0.296 1 1 39 . 18 1 1 A 12 12 VAL CB C 12 32.571 33.033 -0.462 1 1 48 . 18 1 1 A 13 13 GLY N N 13 113.294 117.106 -3.812 1 1 49 . 18 1 1 A 13 13 GLY H H 13 8.608 8.540 0.068 1 1 50 . 18 1 1 A 13 13 GLY CA C 13 44.973 44.766 0.207 1 1 51 . 18 1 1 A 13 13 GLY HA3 H 13 4.024 4.073 -0.049 1 1 52 . 18 1 1 A 13 13 GLY HA2 H 13 3.891 4.072 -0.181 1 1 53 . 18 1 1 A 14 14 GLU N N 14 120.644 122.589 -1.945 1 1 54 . 18 1 1 A 14 14 GLU H H 14 8.139 8.725 -0.586 1 1 55 . 18 1 1 A 14 14 GLU CA C 14 54.101 53.646 0.455 1 1 56 . 18 1 1 A 14 14 GLU HA H 14 4.626 4.799 -0.173 1 1 57 . 18 1 1 A 14 14 GLU CB C 14 30.026 29.658 0.368 1 1 63 . 18 1 1 A 15 15 PRO CA C 15 63.731 63.175 0.556 1 1 64 . 18 1 1 A 15 15 PRO HA H 15 4.319 4.668 -0.349 1 1 65 . 18 1 1 A 15 15 PRO CB C 15 31.974 31.829 0.145 1 1 71 . 18 1 1 A 15 15 PRO C C 15 177.450 176.123 1.327 1 1 75 . 18 1 1 A 16 16 GLY N N 16 109.768 107.975 1.793 1 1 76 . 18 1 1 A 16 16 GLY H H 16 8.577 8.051 0.526 1 1 77 . 18 1 1 A 16 16 GLY CA C 16 45.424 45.452 -0.028 1 1 78 . 18 1 1 A 16 16 GLY HA3 H 16 3.804 4.215 -0.411 1 1 79 . 18 1 1 A 16 16 GLY C C 16 174.160 173.668 0.492 1 1 80 . 18 1 1 A 16 16 GLY HA2 H 16 4.086 4.214 -0.128 1 1 81 . 18 1 1 A 17 17 GLN N N 17 119.726 118.631 1.095 1 1 82 . 18 1 1 A 17 17 GLN H H 17 7.868 8.604 -0.736 1 1 83 . 18 1 1 A 17 17 GLN CA C 17 55.403 55.695 -0.292 1 1 84 . 18 1 1 A 17 17 GLN HA H 17 4.389 4.399 -0.010 1 1 85 . 18 1 1 A 17 17 GLN CB C 17 29.894 28.807 1.087 1 1 92 . 18 1 1 A 17 17 GLN C C 17 175.290 175.530 -0.240 1 1 95 . 18 1 1 A 18 18 ALA N N 18 125.593 123.667 1.926 1 1 96 . 18 1 1 A 18 18 ALA H H 18 8.469 7.502 0.967 1 1 97 . 18 1 1 A 18 18 ALA CA C 18 52.389 51.380 1.009 1 1 98 . 18 1 1 A 18 18 ALA HA H 18 4.448 4.349 0.099 1 1 99 . 18 1 1 A 18 18 ALA CB C 18 19.959 20.497 -0.538 1 1 103 . 18 1 1 A 18 18 ALA C C 18 177.464 177.184 0.280 1 1 104 . 18 1 1 A 19 19 GLY N N 19 109.162 110.306 -1.144 1 1 105 . 18 1 1 A 19 19 GLY H H 19 8.294 8.606 -0.312 1 1 106 . 18 1 1 A 19 19 GLY CA C 19 45.270 44.354 0.916 1 1 107 . 18 1 1 A 19 19 GLY HA3 H 19 3.853 4.502 -0.649 1 1 108 . 18 1 1 A 19 19 GLY C C 19 173.012 172.088 0.924 1 1 109 . 18 1 1 A 19 19 GLY HA2 H 19 4.207 4.500 -0.293 1 1 110 . 18 1 1 A 20 20 ASN N N 20 118.861 119.134 -0.273 1 1 111 . 18 1 1 A 20 20 ASN H H 20 8.479 8.512 -0.033 1 1 112 . 18 1 1 A 20 20 ASN CA C 20 50.128 49.432 0.696 1 1 113 . 18 1 1 A 20 20 ASN HA H 20 5.236 5.295 -0.059 1 1 114 . 18 1 1 A 20 20 ASN CB C 20 39.697 40.407 -0.710 1 1 119 . 18 1 1 A 20 20 ASN C C 20 174.482 174.676 -0.194 1 1 121 . 18 1 1 A 21 21 PRO CA C 21 64.588 64.805 -0.217 1 1 122 . 18 1 1 A 21 21 PRO HA H 21 4.312 4.489 -0.177 1 1 123 . 18 1 1 A 21 21 PRO CB C 21 31.950 32.006 -0.056 1 1 129 . 18 1 1 A 21 21 PRO C C 21 177.141 177.856 -0.715 1 1 133 . 18 1 1 A 22 22 ALA N N 22 118.898 118.958 -0.060 1 1 134 . 18 1 1 A 22 22 ALA H H 22 7.918 8.391 -0.473 1 1 135 . 18 1 1 A 22 22 ALA CA C 22 53.499 55.038 -1.539 1 1 136 . 18 1 1 A 22 22 ALA HA H 22 4.386 3.999 0.387 1 1 137 . 18 1 1 A 22 22 ALA CB C 22 18.288 18.448 -0.160 1 1 141 . 18 1 1 A 22 22 ALA C C 22 178.115 179.903 -1.788 1 1 142 . 18 1 1 A 23 23 LEU N N 23 116.219 116.044 0.175 1 1 143 . 18 1 1 A 23 23 LEU H H 23 7.696 7.597 0.099 1 1 144 . 18 1 1 A 23 23 LEU CA C 23 53.851 55.955 -2.104 1 1 145 . 18 1 1 A 23 23 LEU HA H 23 4.475 4.331 0.144 1 1 146 . 18 1 1 A 23 23 LEU CB C 23 41.958 42.785 -0.827 1 1 158 . 18 1 1 A 23 23 LEU C C 23 176.653 177.442 -0.789 1 1 160 . 18 1 1 A 24 24 VAL N N 24 122.233 121.045 1.188 1 1 161 . 18 1 1 A 24 24 VAL H H 24 7.207 7.417 -0.210 1 1 162 . 18 1 1 A 24 24 VAL CA C 24 62.768 63.227 -0.459 1 1 163 . 18 1 1 A 24 24 VAL HA H 24 4.081 3.872 0.209 1 1 164 . 18 1 1 A 24 24 VAL CB C 24 32.408 31.666 0.742 1 1 174 . 18 1 1 A 24 24 VAL C C 24 174.702 175.905 -1.203 1 1 175 . 18 1 1 A 25 25 SER N N 25 120.181 123.375 -3.194 1 1 176 . 18 1 1 A 25 25 SER H H 25 8.109 8.548 -0.439 1 1 177 . 18 1 1 A 25 25 SER CA C 25 56.489 57.909 -1.420 1 1 178 . 18 1 1 A 25 25 SER HA H 25 5.159 5.382 -0.223 1 1 179 . 18 1 1 A 25 25 SER CB C 25 66.443 66.488 -0.045 1 1 181 . 18 1 1 A 25 25 SER C C 25 172.102 172.347 -0.245 1 1 183 . 18 1 1 A 26 26 ALA N N 26 124.850 124.481 0.369 1 1 184 . 18 1 1 A 26 26 ALA H H 26 8.839 8.901 -0.062 1 1 185 . 18 1 1 A 26 26 ALA CA C 26 50.395 51.066 -0.671 1 1 186 . 18 1 1 A 26 26 ALA HA H 26 5.796 5.375 0.421 1 1 187 . 18 1 1 A 26 26 ALA CB C 26 22.868 22.514 0.354 1 1 191 . 18 1 1 A 26 26 ALA C C 26 175.694 175.611 0.083 1 1 192 . 18 1 1 A 27 27 TYR N N 27 117.541 117.952 -0.411 1 1 193 . 18 1 1 A 27 27 TYR H H 27 8.831 8.882 -0.051 1 1 194 . 18 1 1 A 27 27 TYR CA C 27 56.610 55.804 0.806 1 1 195 . 18 1 1 A 27 27 TYR HA H 27 4.851 5.444 -0.593 1 1 196 . 18 1 1 A 27 27 TYR CB C 27 39.737 41.948 -2.211 1 1 206 . 18 1 1 A 27 27 TYR C C 27 173.299 174.041 -0.742 1 1 208 . 18 1 1 A 28 28 GLY N N 28 108.355 106.470 1.885 1 1 209 . 18 1 1 A 28 28 GLY H H 28 8.788 8.514 0.274 1 1 210 . 18 1 1 A 28 28 GLY CA C 28 44.056 45.673 -1.617 1 1 211 . 18 1 1 A 28 28 GLY HA3 H 28 4.304 4.286 0.018 1 1 212 . 18 1 1 A 28 28 GLY C C 28 176.208 173.713 2.495 1 1 213 . 18 1 1 A 28 28 GLY HA2 H 28 5.047 4.244 0.803 1 1 214 . 18 1 1 A 29 29 THR N N 29 115.659 113.153 2.506 1 1 215 . 18 1 1 A 29 29 THR H H 29 9.027 8.007 1.020 1 1 216 . 18 1 1 A 29 29 THR CA C 29 65.419 62.847 2.572 1 1 217 . 18 1 1 A 29 29 THR HA H 29 4.171 4.459 -0.288 1 1 218 . 18 1 1 A 29 29 THR CB C 29 68.659 69.795 -1.136 1 1 224 . 18 1 1 A 29 29 THR C C 29 178.141 175.914 2.227 1 1 225 . 18 1 1 A 30 30 GLY N N 30 107.400 108.666 -1.266 1 1 226 . 18 1 1 A 30 30 GLY H H 30 8.747 8.510 0.237 1 1 227 . 18 1 1 A 30 30 GLY CA C 30 46.719 46.981 -0.262 1 1 228 . 18 1 1 A 30 30 GLY HA3 H 30 3.556 3.825 -0.269 1 1 229 . 18 1 1 A 30 30 GLY C C 30 173.896 175.609 -1.713 1 1 230 . 18 1 1 A 30 30 GLY HA2 H 30 4.483 3.704 0.779 1 1 231 . 18 1 1 A 31 31 LEU N N 31 118.075 122.679 -4.604 1 1 232 . 18 1 1 A 31 31 LEU H H 31 7.389 8.022 -0.633 1 1 233 . 18 1 1 A 31 31 LEU CA C 31 55.799 57.409 -1.610 1 1 234 . 18 1 1 A 31 31 LEU HA H 31 3.778 3.984 -0.206 1 1 235 . 18 1 1 A 31 31 LEU CB C 31 41.564 41.507 0.057 1 1 247 . 18 1 1 A 31 31 LEU C C 31 176.045 178.839 -2.794 1 1 249 . 18 1 1 A 32 32 GLU N N 32 112.872 117.652 -4.780 1 1 250 . 18 1 1 A 32 32 GLU H H 32 7.509 7.938 -0.429 1 1 251 . 18 1 1 A 32 32 GLU CA C 32 56.330 58.721 -2.391 1 1 252 . 18 1 1 A 32 32 GLU HA H 32 4.717 4.068 0.649 1 1 253 . 18 1 1 A 32 32 GLU CB C 32 31.924 30.216 1.708 1 1 257 . 18 1 1 A 32 32 GLU C C 32 177.958 176.721 1.237 1 1 260 . 18 1 1 A 33 33 GLY N N 33 107.880 104.241 3.639 1 1 261 . 18 1 1 A 33 33 GLY H H 33 7.822 7.333 0.489 1 1 262 . 18 1 1 A 33 33 GLY CA C 33 45.568 45.679 -0.111 1 1 263 . 18 1 1 A 33 33 GLY HA3 H 33 4.125 4.094 0.031 1 1 264 . 18 1 1 A 33 33 GLY C C 33 172.046 171.874 0.172 1 1 265 . 18 1 1 A 33 33 GLY HA2 H 33 4.661 4.087 0.574 1 1 266 . 18 1 1 A 34 34 GLY N N 34 105.841 108.830 -2.989 1 1 267 . 18 1 1 A 34 34 GLY H H 34 7.740 8.513 -0.773 1 1 268 . 18 1 1 A 34 34 GLY CA C 34 45.215 45.258 -0.043 1 1 269 . 18 1 1 A 34 34 GLY HA3 H 34 3.988 4.156 -0.168 1 1 270 . 18 1 1 A 34 34 GLY C C 34 171.280 172.862 -1.582 1 1 271 . 18 1 1 A 34 34 GLY HA2 H 34 4.030 4.108 -0.078 1 1 272 . 18 1 1 A 35 35 THR N N 35 119.173 116.371 2.802 1 1 273 . 18 1 1 A 35 35 THR H H 35 9.363 8.613 0.750 1 1 274 . 18 1 1 A 35 35 THR CA C 35 60.844 60.751 0.093 1 1 275 . 18 1 1 A 35 35 THR HA H 35 5.177 4.942 0.235 1 1 276 . 18 1 1 A 35 35 THR CB C 35 72.095 69.687 2.408 1 1 282 . 18 1 1 A 35 35 THR C C 35 173.460 173.596 -0.136 1 1 283 . 18 1 1 A 36 36 THR N N 36 116.864 121.721 -4.857 1 1 284 . 18 1 1 A 36 36 THR H H 36 8.425 8.563 -0.138 1 1 285 . 18 1 1 A 36 36 THR CA C 36 62.841 64.853 -2.012 1 1 286 . 18 1 1 A 36 36 THR HA H 36 3.701 4.072 -0.371 1 1 287 . 18 1 1 A 36 36 THR CB C 36 68.447 68.167 0.280 1 1 293 . 18 1 1 A 36 36 THR C C 36 175.396 175.697 -0.301 1 1 294 . 18 1 1 A 37 37 GLY N N 37 107.461 114.427 -6.966 1 1 295 . 18 1 1 A 37 37 GLY H H 37 8.548 8.739 -0.191 1 1 296 . 18 1 1 A 37 37 GLY CA C 37 45.434 45.013 0.421 1 1 297 . 18 1 1 A 37 37 GLY HA3 H 37 3.386 4.006 -0.620 1 1 298 . 18 1 1 A 37 37 GLY C C 37 172.598 174.443 -1.845 1 1 299 . 18 1 1 A 37 37 GLY HA2 H 37 4.024 4.004 0.020 1 1 300 . 18 1 1 A 38 38 ILE N N 38 122.313 122.156 0.157 1 1 301 . 18 1 1 A 38 38 ILE H H 38 7.871 7.643 0.228 1 1 302 . 18 1 1 A 38 38 ILE CA C 38 58.566 59.838 -1.272 1 1 303 . 18 1 1 A 38 38 ILE HA H 38 4.274 4.549 -0.275 1 1 304 . 18 1 1 A 38 38 ILE CB C 38 38.476 40.083 -1.607 1 1 316 . 18 1 1 A 38 38 ILE C C 38 175.081 174.717 0.364 1 1 318 . 18 1 1 A 39 39 GLN N N 39 127.942 124.381 3.561 1 1 319 . 18 1 1 A 39 39 GLN H H 39 8.487 8.666 -0.179 1 1 320 . 18 1 1 A 39 39 GLN CA C 39 57.394 54.062 3.332 1 1 321 . 18 1 1 A 39 39 GLN HA H 39 4.312 4.700 -0.388 1 1 322 . 18 1 1 A 39 39 GLN CB C 39 31.057 30.279 0.778 1 1 329 . 18 1 1 A 39 39 GLN C C 39 176.011 175.273 0.738 1 1 332 . 18 1 1 A 40 40 SER N N 40 125.784 119.874 5.910 1 1 333 . 18 1 1 A 40 40 SER H H 40 9.167 8.460 0.707 1 1 334 . 18 1 1 A 40 40 SER CA C 40 58.188 56.511 1.677 1 1 335 . 18 1 1 A 40 40 SER HA H 40 4.633 4.956 -0.323 1 1 336 . 18 1 1 A 40 40 SER CB C 40 66.149 65.220 0.929 1 1 338 . 18 1 1 A 40 40 SER C C 40 172.625 173.757 -1.132 1 1 340 . 18 1 1 A 41 41 GLU N N 41 117.679 118.718 -1.039 1 1 341 . 18 1 1 A 41 41 GLU H H 41 8.773 9.126 -0.353 1 1 342 . 18 1 1 A 41 41 GLU CA C 41 54.060 54.590 -0.530 1 1 343 . 18 1 1 A 41 41 GLU HA H 41 5.629 5.204 0.425 1 1 344 . 18 1 1 A 41 41 GLU CB C 41 34.053 33.151 0.902 1 1 348 . 18 1 1 A 41 41 GLU C C 41 175.607 175.162 0.445 1 1 351 . 18 1 1 A 42 42 PHE N N 42 116.557 118.173 -1.616 1 1 352 . 18 1 1 A 42 42 PHE H H 42 8.753 7.996 0.757 1 1 353 . 18 1 1 A 42 42 PHE CA C 42 56.847 55.140 1.707 1 1 354 . 18 1 1 A 42 42 PHE HA H 42 4.743 5.460 -0.717 1 1 355 . 18 1 1 A 42 42 PHE CB C 42 40.908 41.847 -0.939 1 1 367 . 18 1 1 A 42 42 PHE C C 42 170.204 173.572 -3.368 1 1 369 . 18 1 1 A 43 43 PHE N N 43 118.643 121.964 -3.321 1 1 370 . 18 1 1 A 43 43 PHE H H 43 9.234 8.463 0.771 1 1 371 . 18 1 1 A 43 43 PHE CA C 43 57.292 57.034 0.258 1 1 372 . 18 1 1 A 43 43 PHE HA H 43 5.041 4.776 0.265 1 1 373 . 18 1 1 A 43 43 PHE CB C 43 42.583 40.175 2.408 1 1 385 . 18 1 1 A 43 43 PHE C C 43 174.177 175.500 -1.323 1 1 387 . 18 1 1 A 44 44 ILE N N 44 120.124 122.618 -2.494 1 1 388 . 18 1 1 A 44 44 ILE H H 44 8.876 8.449 0.427 1 1 389 . 18 1 1 A 44 44 ILE CA C 44 59.698 60.620 -0.922 1 1 390 . 18 1 1 A 44 44 ILE HA H 44 4.717 4.676 0.041 1 1 391 . 18 1 1 A 44 44 ILE CB C 44 40.591 38.188 2.403 1 1 403 . 18 1 1 A 44 44 ILE C C 44 174.483 175.645 -1.162 1 1 405 . 18 1 1 A 45 45 ASN N N 45 127.058 127.250 -0.192 1 1 406 . 18 1 1 A 45 45 ASN H H 45 9.553 8.998 0.555 1 1 407 . 18 1 1 A 45 45 ASN CA C 45 52.099 52.999 -0.900 1 1 408 . 18 1 1 A 45 45 ASN HA H 45 5.380 4.924 0.456 1 1 409 . 18 1 1 A 45 45 ASN CB C 45 39.596 38.226 1.370 1 1 414 . 18 1 1 A 45 45 ASN C C 45 176.821 175.445 1.376 1 1 416 . 18 1 1 A 46 46 THR H H 46 9.223 8.081 1.142 1 1 417 . 18 1 1 A 46 46 THR CA C 46 61.534 60.081 1.453 1 1 418 . 18 1 1 A 46 46 THR HA H 46 4.368 4.644 -0.276 1 1 419 . 18 1 1 A 46 46 THR CB C 46 68.352 68.347 0.005 1 1 425 . 18 1 1 A 46 46 THR C C 46 176.816 175.092 1.724 1 1 426 . 18 1 1 A 47 47 THR N N 47 116.732 114.757 1.975 1 1 427 . 18 1 1 A 47 47 THR H H 47 8.368 7.664 0.704 1 1 428 . 18 1 1 A 47 47 THR CA C 47 65.916 62.103 3.813 1 1 429 . 18 1 1 A 47 47 THR HA H 47 4.032 4.589 -0.557 1 1 430 . 18 1 1 A 47 47 THR CB C 47 69.870 70.016 -0.146 1 1 436 . 18 1 1 A 47 47 THR C C 47 176.865 175.313 1.552 1 1 437 . 18 1 1 A 48 48 ARG N N 48 119.205 118.367 0.838 1 1 438 . 18 1 1 A 48 48 ARG H H 48 8.785 7.878 0.907 1 1 439 . 18 1 1 A 48 48 ARG CA C 48 56.273 55.806 0.467 1 1 440 . 18 1 1 A 48 48 ARG HA H 48 4.488 4.559 -0.071 1 1 441 . 18 1 1 A 48 48 ARG CB C 48 30.862 31.651 -0.789 1 1 447 . 18 1 1 A 48 48 ARG C C 48 176.314 177.171 -0.857 1 1 451 . 18 1 1 A 49 49 ALA N N 49 120.807 121.608 -0.801 1 1 452 . 18 1 1 A 49 49 ALA H H 49 7.440 7.947 -0.507 1 1 453 . 18 1 1 A 49 49 ALA CA C 49 53.138 52.987 0.151 1 1 454 . 18 1 1 A 49 49 ALA HA H 49 4.341 4.304 0.037 1 1 455 . 18 1 1 A 49 49 ALA CB C 49 22.427 19.828 2.599 1 1 459 . 18 1 1 A 49 49 ALA C C 49 177.914 177.749 0.165 1 1 460 . 18 1 1 A 50 50 GLY N N 50 105.941 103.531 2.410 1 1 461 . 18 1 1 A 50 50 GLY H H 50 7.924 7.531 0.393 1 1 462 . 18 1 1 A 50 50 GLY CA C 50 44.229 44.406 -0.177 1 1 463 . 18 1 1 A 50 50 GLY HA3 H 50 4.325 4.146 0.179 1 1 464 . 18 1 1 A 50 50 GLY C C 50 171.089 172.787 -1.698 1 1 465 . 18 1 1 A 50 50 GLY HA2 H 50 3.948 4.123 -0.175 1 1 466 . 18 1 1 A 51 51 PRO CA C 51 63.140 63.248 -0.108 1 1 467 . 18 1 1 A 51 51 PRO HA H 51 4.588 4.420 0.168 1 1 468 . 18 1 1 A 51 51 PRO CB C 51 33.004 33.110 -0.106 1 1 477 . 18 1 1 A 52 52 GLY CA C 52 45.195 44.082 1.113 1 1 478 . 18 1 1 A 52 52 GLY HA3 H 52 3.275 4.089 -0.814 1 1 479 . 18 1 1 A 52 52 GLY HA2 H 52 3.852 3.917 -0.065 1 1 480 . 18 1 1 A 53 53 THR N N 53 114.003 115.730 -1.727 1 1 481 . 18 1 1 A 53 53 THR H H 53 8.049 8.448 -0.399 1 1 482 . 18 1 1 A 53 53 THR CA C 53 62.352 62.742 -0.390 1 1 483 . 18 1 1 A 53 53 THR HA H 53 4.436 4.816 -0.380 1 1 484 . 18 1 1 A 53 53 THR CB C 53 69.631 70.022 -0.391 1 1 490 . 18 1 1 A 54 54 LEU CA C 54 53.891 52.983 0.908 1 1 491 . 18 1 1 A 54 54 LEU HA H 54 5.077 5.723 -0.646 1 1 492 . 18 1 1 A 54 54 LEU CB C 54 44.515 46.518 -2.003 1 1 503 . 18 1 1 A 55 55 SER N N 55 120.726 114.679 6.047 1 1 504 . 18 1 1 A 55 55 SER H H 55 8.783 8.502 0.281 1 1 505 . 18 1 1 A 55 55 SER CA C 55 56.249 57.289 -1.040 1 1 506 . 18 1 1 A 55 55 SER HA H 55 5.092 5.203 -0.111 1 1 507 . 18 1 1 A 55 55 SER CB C 55 65.032 64.906 0.126 1 1 509 . 18 1 1 A 55 55 SER C C 55 173.165 172.901 0.264 1 1 511 . 18 1 1 A 56 56 VAL N N 56 126.234 121.444 4.790 1 1 512 . 18 1 1 A 56 56 VAL H H 56 8.336 8.787 -0.451 1 1 513 . 18 1 1 A 56 56 VAL CA C 56 60.515 59.441 1.074 1 1 514 . 18 1 1 A 56 56 VAL HA H 56 5.134 5.264 -0.130 1 1 515 . 18 1 1 A 56 56 VAL CB C 56 34.463 34.924 -0.461 1 1 520 . 18 1 1 A 56 56 VAL C C 56 174.718 174.694 0.024 1 1 521 . 18 1 1 A 57 57 THR N N 57 120.539 118.105 2.434 1 1 522 . 18 1 1 A 57 57 THR H H 57 8.828 8.394 0.434 1 1 523 . 18 1 1 A 57 57 THR CA C 57 60.580 61.618 -1.038 1 1 524 . 18 1 1 A 57 57 THR HA H 57 5.132 4.905 0.227 1 1 525 . 18 1 1 A 57 57 THR CB C 57 72.187 71.732 0.455 1 1 531 . 18 1 1 A 57 57 THR C C 57 172.970 172.896 0.074 1 1 532 . 18 1 1 A 58 58 ILE N N 58 123.949 128.669 -4.720 1 1 533 . 18 1 1 A 58 58 ILE H H 58 9.249 8.591 0.658 1 1 534 . 18 1 1 A 58 58 ILE CA C 58 61.297 59.847 1.450 1 1 535 . 18 1 1 A 58 58 ILE HA H 58 5.001 5.217 -0.216 1 1 536 . 18 1 1 A 58 58 ILE CB C 58 39.755 39.779 -0.024 1 1 548 . 18 1 1 A 58 58 ILE C C 58 174.848 175.113 -0.265 1 1 550 . 18 1 1 A 59 59 GLU N N 59 129.027 124.414 4.613 1 1 551 . 18 1 1 A 59 59 GLU H H 59 8.966 9.221 -0.255 1 1 552 . 18 1 1 A 59 59 GLU CA C 59 53.911 54.690 -0.779 1 1 553 . 18 1 1 A 59 59 GLU HA H 59 5.427 5.170 0.257 1 1 554 . 18 1 1 A 59 59 GLU CB C 59 33.843 33.215 0.628 1 1 558 . 18 1 1 A 59 59 GLU C C 59 175.342 176.288 -0.946 1 1 561 . 18 1 1 A 60 60 GLY N N 60 110.765 109.502 1.263 1 1 562 . 18 1 1 A 60 60 GLY H H 60 8.597 8.155 0.442 1 1 563 . 18 1 1 A 60 60 GLY CA C 60 45.997 44.832 1.165 1 1 564 . 18 1 1 A 60 60 GLY HA3 H 60 3.908 3.841 0.067 1 1 565 . 18 1 1 A 60 60 GLY C C 60 171.205 173.783 -2.578 1 1 566 . 18 1 1 A 60 60 GLY HA2 H 60 3.685 3.307 0.378 1 1 567 . 18 1 1 A 61 61 PRO CA C 61 64.057 64.394 -0.337 1 1 568 . 18 1 1 A 61 61 PRO HA H 61 4.415 4.289 0.126 1 1 569 . 18 1 1 A 61 61 PRO CB C 61 32.143 32.125 0.018 1 1 575 . 18 1 1 A 61 61 PRO C C 61 175.925 176.423 -0.498 1 1 579 . 18 1 1 A 62 62 SER N N 62 108.413 111.817 -3.404 1 1 580 . 18 1 1 A 62 62 SER H H 62 7.144 7.640 -0.496 1 1 581 . 18 1 1 A 62 62 SER CA C 62 57.037 56.892 0.145 1 1 582 . 18 1 1 A 62 62 SER HA H 62 4.596 4.637 -0.041 1 1 583 . 18 1 1 A 62 62 SER CB C 62 66.522 63.369 3.153 1 1 585 . 18 1 1 A 62 62 SER C C 62 172.446 173.044 -0.598 1 1 587 . 18 1 1 A 63 63 LYS N N 63 122.539 125.092 -2.553 1 1 588 . 18 1 1 A 63 63 LYS H H 63 8.620 8.564 0.056 1 1 589 . 18 1 1 A 63 63 LYS CA C 63 56.407 56.406 0.001 1 1 590 . 18 1 1 A 63 63 LYS HA H 63 4.267 4.169 0.098 1 1 591 . 18 1 1 A 63 63 LYS CB C 63 32.576 32.443 0.133 1 1 596 . 18 1 1 A 63 63 LYS C C 63 176.658 176.363 0.295 1 1 601 . 18 1 1 A 64 64 VAL N N 64 120.278 121.912 -1.634 1 1 602 . 18 1 1 A 64 64 VAL H H 64 8.554 8.430 0.124 1 1 603 . 18 1 1 A 64 64 VAL CA C 64 60.425 61.106 -0.681 1 1 604 . 18 1 1 A 64 64 VAL HA H 64 4.460 4.521 -0.061 1 1 605 . 18 1 1 A 64 64 VAL CB C 64 32.938 33.092 -0.154 1 1 615 . 18 1 1 A 64 64 VAL C C 64 176.629 175.279 1.350 1 1 616 . 18 1 1 A 65 65 LYS N N 65 121.529 121.766 -0.237 1 1 617 . 18 1 1 A 65 65 LYS H H 65 8.139 8.344 -0.205 1 1 618 . 18 1 1 A 65 65 LYS CA C 65 56.181 54.735 1.446 1 1 619 . 18 1 1 A 65 65 LYS HA H 65 4.474 4.930 -0.456 1 1 620 . 18 1 1 A 65 65 LYS CB C 65 32.960 34.573 -1.613 1 1 627 . 18 1 1 A 65 65 LYS C C 65 176.309 175.612 0.697 1 1 632 . 18 1 1 A 66 66 MET N N 66 125.382 122.073 3.309 1 1 633 . 18 1 1 A 66 66 MET H H 66 8.811 8.932 -0.121 1 1 634 . 18 1 1 A 66 66 MET CA C 66 55.055 54.156 0.899 1 1 635 . 18 1 1 A 66 66 MET HA H 66 5.393 5.713 -0.320 1 1 636 . 18 1 1 A 66 66 MET CB C 66 37.398 34.982 2.416 1 1 644 . 18 1 1 A 66 66 MET C C 66 174.026 174.409 -0.383 1 1 647 . 18 1 1 A 67 67 ASP N N 67 122.714 123.165 -0.451 1 1 648 . 18 1 1 A 67 67 ASP H H 67 8.995 8.503 0.492 1 1 649 . 18 1 1 A 67 67 ASP CA C 67 53.231 52.839 0.392 1 1 650 . 18 1 1 A 67 67 ASP HA H 67 4.854 5.335 -0.481 1 1 651 . 18 1 1 A 67 67 ASP CB C 67 44.980 43.493 1.487 1 1 654 . 18 1 1 A 68 68 CYS H H 68 8.412 8.857 -0.445 1 1 655 . 18 1 1 A 68 68 CYS CA C 68 56.390 57.714 -1.324 1 1 656 . 18 1 1 A 68 68 CYS HA H 68 5.288 5.063 0.225 1 1 657 . 18 1 1 A 68 68 CYS CB C 68 28.188 29.320 -1.132 1 1 660 . 18 1 1 A 69 69 GLN N N 69 125.044 124.626 0.418 1 1 661 . 18 1 1 A 69 69 GLN H H 69 9.116 8.413 0.703 1 1 662 . 18 1 1 A 69 69 GLN CA C 69 56.403 54.527 1.876 1 1 663 . 18 1 1 A 69 69 GLN HA H 69 5.290 4.860 0.430 1 1 664 . 18 1 1 A 69 69 GLN CB C 69 32.962 30.992 1.970 1 1 671 . 18 1 1 A 70 70 GLU N N 70 125.781 123.668 2.113 1 1 672 . 18 1 1 A 70 70 GLU H H 70 8.979 8.723 0.256 1 1 673 . 18 1 1 A 70 70 GLU CA C 70 56.418 55.937 0.481 1 1 674 . 18 1 1 A 70 70 GLU HA H 70 4.029 4.587 -0.558 1 1 675 . 18 1 1 A 70 70 GLU CB C 70 30.585 29.978 0.607 1 1 681 . 18 1 1 A 71 71 THR N N 71 118.158 115.589 2.569 1 1 682 . 18 1 1 A 71 71 THR H H 71 8.455 7.986 0.469 1 1 683 . 18 1 1 A 71 71 THR CA C 71 59.209 58.373 0.836 1 1 684 . 18 1 1 A 71 71 THR HA H 71 4.902 5.011 -0.109 1 1 685 . 18 1 1 A 71 71 THR CB C 71 68.926 69.793 -0.867 1 1 691 . 18 1 1 A 72 72 PRO CA C 72 65.290 64.275 1.015 1 1 692 . 18 1 1 A 72 72 PRO HA H 72 4.296 4.514 -0.218 1 1 693 . 18 1 1 A 72 72 PRO CB C 72 31.848 31.598 0.250 1 1 699 . 18 1 1 A 72 72 PRO C C 72 177.476 177.739 -0.263 1 1 703 . 18 1 1 A 73 73 GLU N N 73 112.293 118.104 -5.811 1 1 704 . 18 1 1 A 73 73 GLU H H 73 7.562 8.353 -0.791 1 1 705 . 18 1 1 A 73 73 GLU CA C 73 55.577 57.002 -1.425 1 1 706 . 18 1 1 A 73 73 GLU HA H 73 4.370 4.423 -0.053 1 1 707 . 18 1 1 A 73 73 GLU CB C 73 30.787 31.353 -0.566 1 1 711 . 18 1 1 A 73 73 GLU C C 73 174.438 176.199 -1.761 1 1 714 . 18 1 1 A 74 74 GLY N N 74 109.223 107.170 2.053 1 1 715 . 18 1 1 A 74 74 GLY H H 74 7.324 7.183 0.141 1 1 716 . 18 1 1 A 74 74 GLY CA C 74 47.146 45.982 1.164 1 1 717 . 18 1 1 A 74 74 GLY HA3 H 74 3.551 3.951 -0.400 1 1 718 . 18 1 1 A 74 74 GLY C C 74 172.589 171.269 1.320 1 1 719 . 18 1 1 A 74 74 GLY HA2 H 74 4.949 3.816 1.133 1 1 720 . 18 1 1 A 75 75 TYR N N 75 123.117 121.373 1.744 1 1 721 . 18 1 1 A 75 75 TYR H H 75 8.883 8.421 0.462 1 1 722 . 18 1 1 A 75 75 TYR CA C 75 57.566 56.445 1.121 1 1 723 . 18 1 1 A 75 75 TYR HA H 75 5.171 5.314 -0.143 1 1 724 . 18 1 1 A 75 75 TYR CB C 75 44.111 41.338 2.773 1 1 734 . 18 1 1 A 75 75 TYR C C 75 173.925 173.863 0.062 1 1 736 . 18 1 1 A 76 76 LYS N N 76 124.633 125.388 -0.755 1 1 737 . 18 1 1 A 76 76 LYS H H 76 9.390 9.075 0.315 1 1 738 . 18 1 1 A 76 76 LYS CA C 76 55.055 55.187 -0.132 1 1 739 . 18 1 1 A 76 76 LYS HA H 76 4.594 4.549 0.045 1 1 740 . 18 1 1 A 76 76 LYS CB C 76 35.124 35.157 -0.033 1 1 748 . 18 1 1 A 76 76 LYS C C 76 174.069 174.877 -0.808 1 1 753 . 18 1 1 A 77 77 VAL N N 77 126.947 126.140 0.807 1 1 754 . 18 1 1 A 77 77 VAL H H 77 8.607 7.741 0.866 1 1 755 . 18 1 1 A 77 77 VAL CA C 77 60.894 60.648 0.246 1 1 756 . 18 1 1 A 77 77 VAL HA H 77 4.280 4.645 -0.365 1 1 757 . 18 1 1 A 77 77 VAL CB C 77 32.115 33.805 -1.690 1 1 767 . 18 1 1 A 77 77 VAL C C 77 173.586 174.850 -1.264 1 1 768 . 18 1 1 A 78 78 MET N N 78 123.986 124.367 -0.381 1 1 769 . 18 1 1 A 78 78 MET H H 78 8.410 8.844 -0.434 1 1 770 . 18 1 1 A 78 78 MET CA C 78 53.236 53.858 -0.622 1 1 771 . 18 1 1 A 78 78 MET HA H 78 5.290 5.408 -0.118 1 1 772 . 18 1 1 A 78 78 MET CB C 78 36.873 36.536 0.337 1 1 780 . 18 1 1 A 78 78 MET C C 78 174.665 174.626 0.039 1 1 783 . 18 1 1 A 79 79 TYR N N 79 117.488 119.285 -1.797 1 1 784 . 18 1 1 A 79 79 TYR H H 79 8.739 8.720 0.019 1 1 785 . 18 1 1 A 79 79 TYR CA C 79 56.011 56.035 -0.024 1 1 786 . 18 1 1 A 79 79 TYR HA H 79 5.654 5.379 0.275 1 1 787 . 18 1 1 A 79 79 TYR CB C 79 41.549 41.214 0.335 1 1 797 . 18 1 1 A 79 79 TYR C C 79 172.927 172.905 0.022 1 1 799 . 18 1 1 A 80 80 THR H H 80 8.383 8.945 -0.562 1 1 800 . 18 1 1 A 80 80 THR CA C 80 58.611 59.177 -0.566 1 1 801 . 18 1 1 A 80 80 THR HA H 80 4.978 4.643 0.335 1 1 802 . 18 1 1 A 80 80 THR CB C 80 70.258 70.077 0.181 1 1 808 . 18 1 1 A 81 81 PRO CA C 81 61.531 62.789 -1.258 1 1 809 . 18 1 1 A 81 81 PRO HA H 81 4.532 4.748 -0.216 1 1 810 . 18 1 1 A 81 81 PRO CB C 81 32.774 31.910 0.864 1 1 819 . 18 1 1 A 82 82 MET N N 82 117.590 122.780 -5.190 1 1 820 . 18 1 1 A 82 82 MET H H 82 8.299 8.827 -0.528 1 1 821 . 18 1 1 A 82 82 MET CA C 82 53.882 57.087 -3.205 1 1 822 . 18 1 1 A 82 82 MET HA H 82 4.851 4.518 0.333 1 1 823 . 18 1 1 A 82 82 MET CB C 82 33.337 33.843 -0.506 1 1 831 . 18 1 1 A 82 82 MET C C 82 174.339 176.083 -1.744 1 1 834 . 18 1 1 A 83 83 ALA N N 83 119.196 119.993 -0.797 1 1 835 . 18 1 1 A 83 83 ALA H H 83 7.076 7.921 -0.845 1 1 836 . 18 1 1 A 83 83 ALA CA C 83 49.425 49.552 -0.127 1 1 837 . 18 1 1 A 83 83 ALA HA H 83 4.791 4.750 0.041 1 1 838 . 18 1 1 A 83 83 ALA CB C 83 20.682 21.439 -0.757 1 1 842 . 18 1 1 A 83 83 ALA C C 83 174.364 174.986 -0.622 1 1 843 . 18 1 1 A 84 84 PRO CA C 84 62.540 63.349 -0.809 1 1 844 . 18 1 1 A 84 84 PRO HA H 84 4.244 4.492 -0.248 1 1 845 . 18 1 1 A 84 84 PRO CB C 84 32.615 33.364 -0.749 1 1 851 . 18 1 1 A 84 84 PRO C C 84 174.214 176.135 -1.921 1 1 855 . 18 1 1 A 85 85 GLY N N 85 105.436 108.811 -3.375 1 1 856 . 18 1 1 A 85 85 GLY H H 85 8.855 8.346 0.509 1 1 857 . 18 1 1 A 85 85 GLY CA C 85 44.156 45.020 -0.864 1 1 858 . 18 1 1 A 85 85 GLY HA3 H 85 3.761 4.260 -0.499 1 1 859 . 18 1 1 A 85 85 GLY C C 85 171.801 172.176 -0.375 1 1 860 . 18 1 1 A 85 85 GLY HA2 H 85 4.515 4.231 0.284 1 1 861 . 18 1 1 A 86 86 ASN N N 86 119.042 119.384 -0.342 1 1 862 . 18 1 1 A 86 86 ASN H H 86 8.573 8.554 0.019 1 1 863 . 18 1 1 A 86 86 ASN CA C 86 52.499 51.465 1.034 1 1 864 . 18 1 1 A 86 86 ASN HA H 86 5.517 5.616 -0.099 1 1 865 . 18 1 1 A 86 86 ASN CB C 86 39.390 41.247 -1.857 1 1 870 . 18 1 1 A 86 86 ASN C C 86 174.453 173.703 0.750 1 1 872 . 18 1 1 A 87 87 TYR N N 87 122.992 121.546 1.446 1 1 873 . 18 1 1 A 87 87 TYR H H 87 9.369 8.933 0.436 1 1 874 . 18 1 1 A 87 87 TYR CA C 87 56.366 56.574 -0.208 1 1 875 . 18 1 1 A 87 87 TYR HA H 87 5.140 5.593 -0.453 1 1 876 . 18 1 1 A 87 87 TYR CB C 87 40.267 43.003 -2.736 1 1 886 . 18 1 1 A 87 87 TYR C C 87 174.332 174.613 -0.281 1 1 888 . 18 1 1 A 88 88 LEU N N 88 124.720 122.062 2.658 1 1 889 . 18 1 1 A 88 88 LEU H H 88 9.306 9.017 0.289 1 1 890 . 18 1 1 A 88 88 LEU CA C 88 53.426 54.286 -0.860 1 1 891 . 18 1 1 A 88 88 LEU HA H 88 5.253 4.923 0.330 1 1 892 . 18 1 1 A 88 88 LEU CB C 88 44.487 45.809 -1.322 1 1 904 . 18 1 1 A 88 88 LEU C C 88 177.074 174.550 2.524 1 1 906 . 18 1 1 A 89 89 ILE N N 89 130.469 128.117 2.352 1 1 907 . 18 1 1 A 89 89 ILE H H 89 9.807 9.128 0.679 1 1 908 . 18 1 1 A 89 89 ILE CA C 89 60.792 59.995 0.797 1 1 909 . 18 1 1 A 89 89 ILE HA H 89 4.851 4.965 -0.114 1 1 910 . 18 1 1 A 89 89 ILE CB C 89 39.662 39.634 0.028 1 1 922 . 18 1 1 A 89 89 ILE C C 89 175.605 174.961 0.644 1 1 924 . 18 1 1 A 90 90 SER N N 90 123.845 123.818 0.027 1 1 925 . 18 1 1 A 90 90 SER H H 90 9.540 9.041 0.499 1 1 926 . 18 1 1 A 90 90 SER CA C 90 58.036 57.770 0.266 1 1 927 . 18 1 1 A 90 90 SER HA H 90 5.199 5.196 0.003 1 1 928 . 18 1 1 A 90 90 SER CB C 90 64.133 65.313 -1.180 1 1 930 . 18 1 1 A 90 90 SER C C 90 173.566 173.224 0.342 1 1 932 . 18 1 1 A 91 91 VAL N N 91 128.427 122.502 5.925 1 1 933 . 18 1 1 A 91 91 VAL H H 91 9.918 8.706 1.212 1 1 934 . 18 1 1 A 91 91 VAL CA C 91 61.447 61.112 0.335 1 1 935 . 18 1 1 A 91 91 VAL HA H 91 4.837 4.928 -0.091 1 1 936 . 18 1 1 A 91 91 VAL CB C 91 33.761 35.993 -2.232 1 1 946 . 18 1 1 A 91 91 VAL C C 91 173.296 174.853 -1.557 1 1 947 . 18 1 1 A 92 92 LYS N N 92 125.779 125.763 0.016 1 1 948 . 18 1 1 A 92 92 LYS H H 92 8.892 8.722 0.170 1 1 949 . 18 1 1 A 92 92 LYS CA C 92 54.468 55.009 -0.541 1 1 950 . 18 1 1 A 92 92 LYS HA H 92 5.065 5.277 -0.212 1 1 951 . 18 1 1 A 92 92 LYS CB C 92 36.106 35.974 0.132 1 1 959 . 18 1 1 A 92 92 LYS C C 92 175.189 174.301 0.888 1 1 964 . 18 1 1 A 93 93 TYR N N 93 120.251 125.046 -4.795 1 1 965 . 18 1 1 A 93 93 TYR H H 93 8.061 9.163 -1.102 1 1 966 . 18 1 1 A 93 93 TYR CA C 93 56.884 56.782 0.102 1 1 967 . 18 1 1 A 93 93 TYR HA H 93 5.522 5.094 0.428 1 1 968 . 18 1 1 A 93 93 TYR CB C 93 44.120 41.702 2.418 1 1 978 . 18 1 1 A 93 93 TYR C C 93 175.517 175.604 -0.087 1 1 980 . 18 1 1 A 94 94 GLY N N 94 114.148 113.707 0.441 1 1 981 . 18 1 1 A 94 94 GLY H H 94 8.274 8.108 0.166 1 1 982 . 18 1 1 A 94 94 GLY CA C 94 45.959 47.019 -1.060 1 1 983 . 18 1 1 A 94 94 GLY HA3 H 94 3.705 3.676 0.029 1 1 984 . 18 1 1 A 94 94 GLY C C 94 173.595 174.385 -0.790 1 1 985 . 18 1 1 A 94 94 GLY HA2 H 94 3.877 3.615 0.262 1 1 986 . 18 1 1 A 95 95 GLY N N 95 107.010 109.642 -2.632 1 1 987 . 18 1 1 A 95 95 GLY H H 95 7.452 8.406 -0.954 1 1 988 . 18 1 1 A 95 95 GLY CA C 95 43.954 44.731 -0.777 1 1 989 . 18 1 1 A 95 95 GLY HA3 H 95 3.618 4.033 -0.415 1 1 990 . 18 1 1 A 95 95 GLY C C 95 172.825 173.994 -1.169 1 1 991 . 18 1 1 A 95 95 GLY HA2 H 95 4.507 4.025 0.482 1 1 992 . 18 1 1 A 96 96 PRO CA C 96 63.221 63.668 -0.447 1 1 993 . 18 1 1 A 96 96 PRO HA H 96 4.413 4.580 -0.167 1 1 994 . 18 1 1 A 96 96 PRO CB C 96 30.955 32.007 -1.052 1 1 1000 . 18 1 1 A 96 96 PRO C C 96 175.901 176.325 -0.424 1 1 1004 . 18 1 1 A 97 97 ASN N N 97 119.942 118.001 1.941 1 1 1005 . 18 1 1 A 97 97 ASN H H 97 8.172 8.180 -0.008 1 1 1006 . 18 1 1 A 97 97 ASN CA C 97 52.914 53.023 -0.109 1 1 1007 . 18 1 1 A 97 97 ASN HA H 97 4.864 4.998 -0.134 1 1 1008 . 18 1 1 A 97 97 ASN CB C 97 39.806 38.447 1.359 1 1 1013 . 18 1 1 A 97 97 ASN C C 97 174.285 175.067 -0.782 1 1 1015 . 18 1 1 A 98 98 HIS N N 98 121.803 123.776 -1.973 1 1 1016 . 18 1 1 A 98 98 HIS H H 98 8.456 9.032 -0.576 1 1 1017 . 18 1 1 A 98 98 HIS CA C 98 58.023 55.809 2.214 1 1 1018 . 18 1 1 A 98 98 HIS HA H 98 4.475 4.590 -0.115 1 1 1019 . 18 1 1 A 98 98 HIS CB C 98 33.382 31.226 2.156 1 1 1025 . 18 1 1 A 98 98 HIS C C 98 177.938 175.220 2.718 1 1 1027 . 18 1 1 A 99 99 ILE N N 99 115.599 113.642 1.957 1 1 1028 . 18 1 1 A 99 99 ILE H H 99 8.237 8.530 -0.293 1 1 1029 . 18 1 1 A 99 99 ILE CA C 99 60.895 58.917 1.978 1 1 1030 . 18 1 1 A 99 99 ILE HA H 99 4.545 4.554 -0.009 1 1 1031 . 18 1 1 A 99 99 ILE CB C 99 38.675 41.121 -2.446 1 1 1043 . 18 1 1 A 99 99 ILE C C 99 176.165 174.917 1.248 1 1 1045 . 18 1 1 A 100 100 VAL H H 100 8.389 8.418 -0.029 1 1 1046 . 18 1 1 A 100 100 VAL CA C 100 65.835 63.406 2.429 1 1 1047 . 18 1 1 A 100 100 VAL HA H 100 3.673 3.734 -0.061 1 1 1048 . 18 1 1 A 100 100 VAL CB C 100 31.169 31.515 -0.346 1 1 1058 . 18 1 1 A 101 101 GLY N N 101 116.014 117.595 -1.581 1 1 1059 . 18 1 1 A 101 101 GLY H H 101 8.297 8.881 -0.584 1 1 1060 . 18 1 1 A 101 101 GLY CA C 101 44.626 45.010 -0.384 1 1 1061 . 18 1 1 A 101 101 GLY HA3 H 101 3.227 4.109 -0.882 1 1 1062 . 18 1 1 A 101 101 GLY C C 101 171.863 173.544 -1.681 1 1 1063 . 18 1 1 A 101 101 GLY HA2 H 101 4.207 4.024 0.183 1 1 1064 . 18 1 1 A 102 102 SER N N 102 111.977 117.547 -5.570 1 1 1065 . 18 1 1 A 102 102 SER H H 102 7.304 7.088 0.216 1 1 1066 . 18 1 1 A 102 102 SER CA C 102 54.570 55.055 -0.485 1 1 1067 . 18 1 1 A 102 102 SER HA H 102 3.915 3.816 0.099 1 1 1068 . 18 1 1 A 102 102 SER CB C 102 62.569 63.829 -1.260 1 1 1071 . 18 1 1 A 103 103 PRO CA C 103 62.215 62.311 -0.096 1 1 1072 . 18 1 1 A 103 103 PRO HA H 103 5.475 4.435 1.040 1 1 1073 . 18 1 1 A 103 103 PRO CB C 103 33.552 32.538 1.014 1 1 1079 . 18 1 1 A 103 103 PRO C C 103 175.646 175.895 -0.249 1 1 1083 . 18 1 1 A 104 104 PHE N N 104 123.291 121.322 1.969 1 1 1084 . 18 1 1 A 104 104 PHE H H 104 9.465 8.367 1.098 1 1 1085 . 18 1 1 A 104 104 PHE CA C 104 57.015 57.451 -0.436 1 1 1086 . 18 1 1 A 104 104 PHE HA H 104 4.531 4.898 -0.367 1 1 1087 . 18 1 1 A 104 104 PHE CB C 104 40.607 40.362 0.245 1 1 1099 . 18 1 1 A 104 104 PHE C C 104 175.305 175.271 0.034 1 1 1101 . 18 1 1 A 105 105 LYS N N 105 123.989 121.917 2.072 1 1 1102 . 18 1 1 A 105 105 LYS H H 105 8.712 9.041 -0.329 1 1 1103 . 18 1 1 A 105 105 LYS CA C 105 55.868 55.530 0.338 1 1 1104 . 18 1 1 A 105 105 LYS HA H 105 4.913 4.985 -0.072 1 1 1105 . 18 1 1 A 105 105 LYS CB C 105 32.762 33.792 -1.030 1 1 1113 . 18 1 1 A 105 105 LYS C C 105 174.065 175.469 -1.404 1 1 1118 . 18 1 1 A 106 106 ALA N N 106 129.654 126.980 2.674 1 1 1119 . 18 1 1 A 106 106 ALA H H 106 8.964 8.713 0.251 1 1 1120 . 18 1 1 A 106 106 ALA CA C 106 50.325 50.100 0.225 1 1 1121 . 18 1 1 A 106 106 ALA HA H 106 4.497 5.366 -0.869 1 1 1122 . 18 1 1 A 106 106 ALA CB C 106 20.496 22.921 -2.425 1 1 1126 . 18 1 1 A 106 106 ALA C C 106 176.111 175.231 0.880 1 1 1127 . 18 1 1 A 107 107 LYS N N 107 124.155 122.314 1.841 1 1 1128 . 18 1 1 A 107 107 LYS H H 107 7.955 8.914 -0.959 1 1 1129 . 18 1 1 A 107 107 LYS CA C 107 55.904 54.637 1.267 1 1 1130 . 18 1 1 A 107 107 LYS HA H 107 4.950 5.120 -0.170 1 1 1131 . 18 1 1 A 107 107 LYS CB C 107 33.755 36.092 -2.337 1 1 1139 . 18 1 1 A 107 107 LYS C C 107 175.350 175.130 0.220 1 1 1144 . 18 1 1 A 108 108 VAL N N 108 128.726 127.533 1.193 1 1 1145 . 18 1 1 A 108 108 VAL H H 108 9.373 8.689 0.684 1 1 1146 . 18 1 1 A 108 108 VAL CA C 108 60.804 61.500 -0.696 1 1 1147 . 18 1 1 A 108 108 VAL HA H 108 4.851 4.685 0.166 1 1 1148 . 18 1 1 A 108 108 VAL CB C 108 33.175 33.011 0.164 1 1 1158 . 18 1 1 A 108 108 VAL C C 108 177.017 175.357 1.660 1 1 1159 . 18 1 1 A 109 109 THR N N 109 121.067 116.409 4.658 1 1 1160 . 18 1 1 A 109 109 THR H H 109 8.527 8.583 -0.056 1 1 1161 . 18 1 1 A 109 109 THR CA C 109 60.138 59.911 0.227 1 1 1162 . 18 1 1 A 109 109 THR HA H 109 4.864 5.146 -0.282 1 1 1163 . 18 1 1 A 109 109 THR CB C 109 70.960 71.639 -0.679 1 1 1169 . 18 1 1 A 109 109 THR C C 109 173.130 173.042 0.088 1 1 1170 . 18 1 1 A 110 110 GLY N N 110 106.893 108.733 -1.840 1 1 1171 . 18 1 1 A 110 110 GLY H H 110 8.404 8.446 -0.042 1 1 1172 . 18 1 1 A 110 110 GLY CA C 110 43.888 45.091 -1.203 1 1 1173 . 18 1 1 A 110 110 GLY HA3 H 110 3.851 4.138 -0.287 1 1 1174 . 18 1 1 A 110 110 GLY C C 110 173.870 171.936 1.934 1 1 1175 . 18 1 1 A 110 110 GLY HA2 H 110 4.773 4.136 0.637 1 1 1176 . 18 1 1 A 111 111 GLN N N 111 116.999 119.606 -2.607 1 1 1177 . 18 1 1 A 111 111 GLN H H 111 8.234 8.346 -0.112 1 1 1178 . 18 1 1 A 111 111 GLN CA C 111 55.230 55.304 -0.074 1 1 1179 . 18 1 1 A 111 111 GLN HA H 111 4.269 4.399 -0.130 1 1 1180 . 18 1 1 A 111 111 GLN CB C 111 30.118 29.924 0.194 1 1 1187 . 18 1 1 A 111 111 GLN C C 111 176.550 176.265 0.285 1 1 1190 . 18 1 1 A 112 112 ARG N N 112 122.131 122.777 -0.646 1 1 1191 . 18 1 1 A 112 112 ARG H H 112 8.832 8.452 0.380 1 1 1192 . 18 1 1 A 112 112 ARG CA C 112 57.384 57.268 0.116 1 1 1193 . 18 1 1 A 112 112 ARG HA H 112 4.300 4.231 0.069 1 1 1194 . 18 1 1 A 112 112 ARG CB C 112 30.059 30.594 -0.535 1 1 1200 . 18 1 1 A 112 112 ARG C C 112 175.836 176.076 -0.240 1 1 1204 . 18 1 1 A 113 113 LEU N N 113 126.764 124.913 1.851 1 1 1205 . 18 1 1 A 113 113 LEU H H 113 8.424 8.226 0.198 1 1 1206 . 18 1 1 A 113 113 LEU CA C 113 54.919 53.674 1.245 1 1 1207 . 18 1 1 A 113 113 LEU HA H 113 4.517 4.543 -0.026 1 1 1208 . 18 1 1 A 113 113 LEU CB C 113 42.706 40.386 2.320 1 1 1220 . 18 1 1 A 113 113 LEU C C 113 176.521 176.858 -0.337 1 1 1222 . 18 1 1 A 116 116 PRO CA C 116 63.729 64.128 -0.399 1 1 1223 . 18 1 1 A 116 116 PRO HA H 116 4.436 4.446 -0.010 1 1 1224 . 18 1 1 A 116 116 PRO CB C 116 32.182 32.224 -0.042 1 1 1233 . 18 1 1 A 117 117 GLY N N 117 110.092 107.492 2.600 1 1 1234 . 18 1 1 A 117 117 GLY H H 117 8.493 7.501 0.992 1 1 1235 . 18 1 1 A 118 118 SER CA C 118 58.420 57.536 0.884 1 1 1236 . 18 1 1 A 118 118 SER HA H 118 4.454 5.250 -0.796 1 1 1237 . 18 1 1 A 118 118 SER CB C 118 64.014 65.584 -1.570 1 1 1239 . 18 1 1 A 118 118 SER C C 118 174.495 172.347 2.148 1 1 1241 . 18 1 1 A 119 119 ALA N N 119 125.244 126.528 -1.284 1 1 1242 . 18 1 1 A 119 119 ALA H H 119 8.365 8.464 -0.099 1 1 1243 . 18 1 1 A 119 119 ALA CA C 119 52.697 50.856 1.841 1 1 1244 . 18 1 1 A 119 119 ALA HA H 119 4.333 5.065 -0.732 1 1 1245 . 18 1 1 A 119 119 ALA CB C 119 19.378 24.085 -4.707 1 1 1249 . 18 1 1 A 119 119 ALA C C 119 177.362 175.042 2.320 1 1 1250 . 18 1 1 A 120 120 ASN N N 120 117.122 118.051 -0.929 1 1 1251 . 18 1 1 A 120 120 ASN H H 120 8.311 8.644 -0.333 1 1 1252 . 18 1 1 A 120 120 ASN CA C 120 53.198 51.850 1.348 1 1 1253 . 18 1 1 A 120 120 ASN HA H 120 4.659 5.205 -0.546 1 1 1254 . 18 1 1 A 120 120 ASN CB C 120 38.852 39.331 -0.479 1 1 1259 . 18 1 1 A 120 120 ASN C C 120 175.112 174.989 0.123 1 1 1261 . 18 1 1 A 122 122 THR CA C 122 61.947 62.281 -0.334 1 1 1262 . 18 1 1 A 122 122 THR HA H 122 4.197 4.552 -0.355 1 1 1263 . 18 1 1 A 122 122 THR CB C 122 69.949 69.803 0.146 1 1 1 . 19 1 1 A 9 9 LYS N N 9 120.806 120.276 0.530 1 1 2 . 19 1 1 A 9 9 LYS H H 9 8.548 8.634 -0.086 1 1 3 . 19 1 1 A 9 9 LYS CA C 9 56.358 55.149 1.209 1 1 4 . 19 1 1 A 9 9 LYS HA H 9 4.261 5.050 -0.789 1 1 5 . 19 1 1 A 9 9 LYS CB C 9 32.673 36.089 -3.416 1 1 17 . 19 1 1 A 10 10 VAL HA H 10 4.307 4.651 -0.344 1 1 18 . 19 1 1 A 10 10 VAL CB C 10 34.845 35.605 -0.760 1 1 24 . 19 1 1 A 11 11 ARG N N 11 125.757 125.973 -0.216 1 1 25 . 19 1 1 A 11 11 ARG H H 11 8.546 8.443 0.103 1 1 26 . 19 1 1 A 11 11 ARG CA C 11 55.966 56.526 -0.560 1 1 27 . 19 1 1 A 11 11 ARG HA H 11 4.463 4.394 0.069 1 1 28 . 19 1 1 A 11 11 ARG CB C 11 30.834 30.354 0.480 1 1 37 . 19 1 1 A 12 12 VAL CA C 12 62.370 64.106 -1.736 1 1 38 . 19 1 1 A 12 12 VAL HA H 12 4.205 3.760 0.445 1 1 39 . 19 1 1 A 12 12 VAL CB C 12 32.571 30.747 1.824 1 1 48 . 19 1 1 A 13 13 GLY N N 13 113.294 116.159 -2.865 1 1 49 . 19 1 1 A 13 13 GLY H H 13 8.608 8.576 0.032 1 1 50 . 19 1 1 A 13 13 GLY CA C 13 44.973 44.807 0.166 1 1 51 . 19 1 1 A 13 13 GLY HA3 H 13 4.024 4.058 -0.034 1 1 52 . 19 1 1 A 13 13 GLY HA2 H 13 3.891 4.058 -0.167 1 1 53 . 19 1 1 A 14 14 GLU N N 14 120.644 122.828 -2.184 1 1 54 . 19 1 1 A 14 14 GLU H H 14 8.139 8.177 -0.038 1 1 55 . 19 1 1 A 14 14 GLU CA C 14 54.101 55.249 -1.148 1 1 56 . 19 1 1 A 14 14 GLU HA H 14 4.626 4.370 0.256 1 1 57 . 19 1 1 A 14 14 GLU CB C 14 30.026 29.476 0.550 1 1 63 . 19 1 1 A 15 15 PRO CA C 15 63.731 62.463 1.268 1 1 64 . 19 1 1 A 15 15 PRO HA H 15 4.319 4.655 -0.336 1 1 65 . 19 1 1 A 15 15 PRO CB C 15 31.974 29.975 1.999 1 1 71 . 19 1 1 A 15 15 PRO C C 15 177.450 176.067 1.383 1 1 75 . 19 1 1 A 16 16 GLY N N 16 109.768 110.461 -0.693 1 1 76 . 19 1 1 A 16 16 GLY H H 16 8.577 8.072 0.505 1 1 77 . 19 1 1 A 16 16 GLY CA C 16 45.424 45.509 -0.085 1 1 78 . 19 1 1 A 16 16 GLY HA3 H 16 3.804 4.125 -0.321 1 1 79 . 19 1 1 A 16 16 GLY C C 16 174.160 172.336 1.824 1 1 80 . 19 1 1 A 16 16 GLY HA2 H 16 4.086 4.124 -0.038 1 1 81 . 19 1 1 A 17 17 GLN N N 17 119.726 123.573 -3.847 1 1 82 . 19 1 1 A 17 17 GLN H H 17 7.868 8.744 -0.876 1 1 83 . 19 1 1 A 17 17 GLN CA C 17 55.403 54.596 0.807 1 1 84 . 19 1 1 A 17 17 GLN HA H 17 4.389 4.959 -0.570 1 1 85 . 19 1 1 A 17 17 GLN CB C 17 29.894 30.435 -0.541 1 1 92 . 19 1 1 A 17 17 GLN C C 17 175.290 174.348 0.942 1 1 95 . 19 1 1 A 18 18 ALA N N 18 125.593 125.979 -0.386 1 1 96 . 19 1 1 A 18 18 ALA H H 18 8.469 8.654 -0.185 1 1 97 . 19 1 1 A 18 18 ALA CA C 18 52.389 50.905 1.484 1 1 98 . 19 1 1 A 18 18 ALA HA H 18 4.448 4.828 -0.380 1 1 99 . 19 1 1 A 18 18 ALA CB C 18 19.959 23.067 -3.108 1 1 103 . 19 1 1 A 18 18 ALA C C 18 177.464 176.491 0.973 1 1 104 . 19 1 1 A 19 19 GLY N N 19 109.162 107.290 1.872 1 1 105 . 19 1 1 A 19 19 GLY H H 19 8.294 8.658 -0.364 1 1 106 . 19 1 1 A 19 19 GLY CA C 19 45.270 45.857 -0.587 1 1 107 . 19 1 1 A 19 19 GLY HA3 H 19 3.853 4.103 -0.250 1 1 108 . 19 1 1 A 19 19 GLY C C 19 173.012 172.986 0.026 1 1 109 . 19 1 1 A 19 19 GLY HA2 H 19 4.207 4.100 0.107 1 1 110 . 19 1 1 A 20 20 ASN N N 20 118.861 124.021 -5.160 1 1 111 . 19 1 1 A 20 20 ASN H H 20 8.479 8.743 -0.264 1 1 112 . 19 1 1 A 20 20 ASN CA C 20 50.128 49.367 0.761 1 1 113 . 19 1 1 A 20 20 ASN HA H 20 5.236 5.227 0.009 1 1 114 . 19 1 1 A 20 20 ASN CB C 20 39.697 40.802 -1.105 1 1 119 . 19 1 1 A 20 20 ASN C C 20 174.482 174.694 -0.212 1 1 121 . 19 1 1 A 21 21 PRO CA C 21 64.588 64.964 -0.376 1 1 122 . 19 1 1 A 21 21 PRO HA H 21 4.312 4.024 0.288 1 1 123 . 19 1 1 A 21 21 PRO CB C 21 31.950 32.047 -0.097 1 1 129 . 19 1 1 A 21 21 PRO C C 21 177.141 177.991 -0.850 1 1 133 . 19 1 1 A 22 22 ALA N N 22 118.898 118.966 -0.068 1 1 134 . 19 1 1 A 22 22 ALA H H 22 7.918 8.614 -0.696 1 1 135 . 19 1 1 A 22 22 ALA CA C 22 53.499 55.371 -1.872 1 1 136 . 19 1 1 A 22 22 ALA HA H 22 4.386 4.014 0.372 1 1 137 . 19 1 1 A 22 22 ALA CB C 22 18.288 18.538 -0.250 1 1 141 . 19 1 1 A 22 22 ALA C C 22 178.115 180.227 -2.112 1 1 142 . 19 1 1 A 23 23 LEU N N 23 116.219 117.804 -1.585 1 1 143 . 19 1 1 A 23 23 LEU H H 23 7.696 8.071 -0.375 1 1 144 . 19 1 1 A 23 23 LEU CA C 23 53.851 57.975 -4.124 1 1 145 . 19 1 1 A 23 23 LEU HA H 23 4.475 3.891 0.584 1 1 146 . 19 1 1 A 23 23 LEU CB C 23 41.958 41.655 0.303 1 1 158 . 19 1 1 A 23 23 LEU C C 23 176.653 177.883 -1.230 1 1 160 . 19 1 1 A 24 24 VAL N N 24 122.233 119.228 3.005 1 1 161 . 19 1 1 A 24 24 VAL H H 24 7.207 7.451 -0.244 1 1 162 . 19 1 1 A 24 24 VAL CA C 24 62.768 63.265 -0.497 1 1 163 . 19 1 1 A 24 24 VAL HA H 24 4.081 4.061 0.020 1 1 164 . 19 1 1 A 24 24 VAL CB C 24 32.408 31.391 1.017 1 1 174 . 19 1 1 A 24 24 VAL C C 24 174.702 175.617 -0.915 1 1 175 . 19 1 1 A 25 25 SER N N 25 120.181 120.659 -0.478 1 1 176 . 19 1 1 A 25 25 SER H H 25 8.109 8.354 -0.245 1 1 177 . 19 1 1 A 25 25 SER CA C 25 56.489 57.015 -0.526 1 1 178 . 19 1 1 A 25 25 SER HA H 25 5.159 5.232 -0.073 1 1 179 . 19 1 1 A 25 25 SER CB C 25 66.443 67.074 -0.631 1 1 181 . 19 1 1 A 25 25 SER C C 25 172.102 173.084 -0.982 1 1 183 . 19 1 1 A 26 26 ALA N N 26 124.850 123.667 1.183 1 1 184 . 19 1 1 A 26 26 ALA H H 26 8.839 8.950 -0.111 1 1 185 . 19 1 1 A 26 26 ALA CA C 26 50.395 50.634 -0.239 1 1 186 . 19 1 1 A 26 26 ALA HA H 26 5.796 5.336 0.460 1 1 187 . 19 1 1 A 26 26 ALA CB C 26 22.868 22.613 0.255 1 1 191 . 19 1 1 A 26 26 ALA C C 26 175.694 175.436 0.258 1 1 192 . 19 1 1 A 27 27 TYR N N 27 117.541 117.237 0.304 1 1 193 . 19 1 1 A 27 27 TYR H H 27 8.831 8.509 0.322 1 1 194 . 19 1 1 A 27 27 TYR CA C 27 56.610 55.816 0.794 1 1 195 . 19 1 1 A 27 27 TYR HA H 27 4.851 5.252 -0.401 1 1 196 . 19 1 1 A 27 27 TYR CB C 27 39.737 41.696 -1.959 1 1 206 . 19 1 1 A 27 27 TYR C C 27 173.299 173.915 -0.616 1 1 208 . 19 1 1 A 28 28 GLY N N 28 108.355 106.342 2.013 1 1 209 . 19 1 1 A 28 28 GLY H H 28 8.788 8.486 0.302 1 1 210 . 19 1 1 A 28 28 GLY CA C 28 44.056 45.854 -1.798 1 1 211 . 19 1 1 A 28 28 GLY HA3 H 28 4.304 4.384 -0.080 1 1 212 . 19 1 1 A 28 28 GLY C C 28 176.208 173.936 2.272 1 1 213 . 19 1 1 A 28 28 GLY HA2 H 28 5.047 4.316 0.731 1 1 214 . 19 1 1 A 29 29 THR N N 29 115.659 113.493 2.166 1 1 215 . 19 1 1 A 29 29 THR H H 29 9.027 8.134 0.893 1 1 216 . 19 1 1 A 29 29 THR CA C 29 65.419 65.133 0.286 1 1 217 . 19 1 1 A 29 29 THR HA H 29 4.171 4.464 -0.293 1 1 218 . 19 1 1 A 29 29 THR CB C 29 68.659 69.376 -0.717 1 1 224 . 19 1 1 A 29 29 THR C C 29 178.141 176.872 1.269 1 1 225 . 19 1 1 A 30 30 GLY N N 30 107.400 107.782 -0.382 1 1 226 . 19 1 1 A 30 30 GLY H H 30 8.747 8.348 0.399 1 1 227 . 19 1 1 A 30 30 GLY CA C 30 46.719 46.610 0.109 1 1 228 . 19 1 1 A 30 30 GLY HA3 H 30 3.556 3.724 -0.168 1 1 229 . 19 1 1 A 30 30 GLY C C 30 173.896 175.421 -1.525 1 1 230 . 19 1 1 A 30 30 GLY HA2 H 30 4.483 3.669 0.814 1 1 231 . 19 1 1 A 31 31 LEU N N 31 118.075 122.477 -4.402 1 1 232 . 19 1 1 A 31 31 LEU H H 31 7.389 7.984 -0.595 1 1 233 . 19 1 1 A 31 31 LEU CA C 31 55.799 57.427 -1.628 1 1 234 . 19 1 1 A 31 31 LEU HA H 31 3.778 3.999 -0.221 1 1 235 . 19 1 1 A 31 31 LEU CB C 31 41.564 41.364 0.200 1 1 247 . 19 1 1 A 31 31 LEU C C 31 176.045 179.476 -3.431 1 1 249 . 19 1 1 A 32 32 GLU N N 32 112.872 116.267 -3.395 1 1 250 . 19 1 1 A 32 32 GLU H H 32 7.509 8.377 -0.868 1 1 251 . 19 1 1 A 32 32 GLU CA C 32 56.330 58.033 -1.703 1 1 252 . 19 1 1 A 32 32 GLU HA H 32 4.717 4.135 0.582 1 1 253 . 19 1 1 A 32 32 GLU CB C 32 31.924 29.294 2.630 1 1 257 . 19 1 1 A 32 32 GLU C C 32 177.958 176.581 1.377 1 1 260 . 19 1 1 A 33 33 GLY N N 33 107.880 107.559 0.321 1 1 261 . 19 1 1 A 33 33 GLY H H 33 7.822 7.050 0.772 1 1 262 . 19 1 1 A 33 33 GLY CA C 33 45.568 45.223 0.345 1 1 263 . 19 1 1 A 33 33 GLY HA3 H 33 4.125 4.027 0.098 1 1 264 . 19 1 1 A 33 33 GLY C C 33 172.046 171.742 0.304 1 1 265 . 19 1 1 A 33 33 GLY HA2 H 33 4.661 4.019 0.642 1 1 266 . 19 1 1 A 34 34 GLY N N 34 105.841 107.852 -2.011 1 1 267 . 19 1 1 A 34 34 GLY H H 34 7.740 8.973 -1.233 1 1 268 . 19 1 1 A 34 34 GLY CA C 34 45.215 45.274 -0.059 1 1 269 . 19 1 1 A 34 34 GLY HA3 H 34 3.988 4.143 -0.155 1 1 270 . 19 1 1 A 34 34 GLY C C 34 171.280 172.549 -1.269 1 1 271 . 19 1 1 A 34 34 GLY HA2 H 34 4.030 4.111 -0.081 1 1 272 . 19 1 1 A 35 35 THR N N 35 119.173 121.501 -2.328 1 1 273 . 19 1 1 A 35 35 THR H H 35 9.363 9.095 0.268 1 1 274 . 19 1 1 A 35 35 THR CA C 35 60.844 61.695 -0.851 1 1 275 . 19 1 1 A 35 35 THR HA H 35 5.177 4.838 0.339 1 1 276 . 19 1 1 A 35 35 THR CB C 35 72.095 68.981 3.114 1 1 282 . 19 1 1 A 35 35 THR C C 35 173.460 173.980 -0.520 1 1 283 . 19 1 1 A 36 36 THR N N 36 116.864 123.449 -6.585 1 1 284 . 19 1 1 A 36 36 THR H H 36 8.425 8.016 0.409 1 1 285 . 19 1 1 A 36 36 THR CA C 36 62.841 64.941 -2.100 1 1 286 . 19 1 1 A 36 36 THR HA H 36 3.701 3.932 -0.231 1 1 287 . 19 1 1 A 36 36 THR CB C 36 68.447 68.277 0.170 1 1 293 . 19 1 1 A 36 36 THR C C 36 175.396 175.728 -0.332 1 1 294 . 19 1 1 A 37 37 GLY N N 37 107.461 114.313 -6.852 1 1 295 . 19 1 1 A 37 37 GLY H H 37 8.548 8.879 -0.331 1 1 296 . 19 1 1 A 37 37 GLY CA C 37 45.434 45.005 0.429 1 1 297 . 19 1 1 A 37 37 GLY HA3 H 37 3.386 4.006 -0.620 1 1 298 . 19 1 1 A 37 37 GLY C C 37 172.598 173.482 -0.884 1 1 299 . 19 1 1 A 37 37 GLY HA2 H 37 4.024 4.001 0.023 1 1 300 . 19 1 1 A 38 38 ILE N N 38 122.313 122.272 0.041 1 1 301 . 19 1 1 A 38 38 ILE H H 38 7.871 7.534 0.337 1 1 302 . 19 1 1 A 38 38 ILE CA C 38 58.566 59.698 -1.132 1 1 303 . 19 1 1 A 38 38 ILE HA H 38 4.274 4.434 -0.160 1 1 304 . 19 1 1 A 38 38 ILE CB C 38 38.476 39.837 -1.361 1 1 316 . 19 1 1 A 38 38 ILE C C 38 175.081 174.768 0.313 1 1 318 . 19 1 1 A 39 39 GLN N N 39 127.942 126.965 0.977 1 1 319 . 19 1 1 A 39 39 GLN H H 39 8.487 8.539 -0.052 1 1 320 . 19 1 1 A 39 39 GLN CA C 39 57.394 55.261 2.133 1 1 321 . 19 1 1 A 39 39 GLN HA H 39 4.312 4.733 -0.421 1 1 322 . 19 1 1 A 39 39 GLN CB C 39 31.057 29.270 1.787 1 1 329 . 19 1 1 A 39 39 GLN C C 39 176.011 175.466 0.545 1 1 332 . 19 1 1 A 40 40 SER N N 40 125.784 119.848 5.936 1 1 333 . 19 1 1 A 40 40 SER H H 40 9.167 7.859 1.308 1 1 334 . 19 1 1 A 40 40 SER CA C 40 58.188 57.006 1.182 1 1 335 . 19 1 1 A 40 40 SER HA H 40 4.633 4.766 -0.133 1 1 336 . 19 1 1 A 40 40 SER CB C 40 66.149 64.674 1.475 1 1 338 . 19 1 1 A 40 40 SER C C 40 172.625 173.775 -1.150 1 1 340 . 19 1 1 A 41 41 GLU N N 41 117.679 118.508 -0.829 1 1 341 . 19 1 1 A 41 41 GLU H H 41 8.773 8.970 -0.197 1 1 342 . 19 1 1 A 41 41 GLU CA C 41 54.060 54.576 -0.516 1 1 343 . 19 1 1 A 41 41 GLU HA H 41 5.629 5.093 0.536 1 1 344 . 19 1 1 A 41 41 GLU CB C 41 34.053 33.234 0.819 1 1 348 . 19 1 1 A 41 41 GLU C C 41 175.607 174.805 0.802 1 1 351 . 19 1 1 A 42 42 PHE N N 42 116.557 117.354 -0.797 1 1 352 . 19 1 1 A 42 42 PHE H H 42 8.753 8.262 0.491 1 1 353 . 19 1 1 A 42 42 PHE CA C 42 56.847 55.365 1.482 1 1 354 . 19 1 1 A 42 42 PHE HA H 42 4.743 5.470 -0.727 1 1 355 . 19 1 1 A 42 42 PHE CB C 42 40.908 42.583 -1.675 1 1 367 . 19 1 1 A 42 42 PHE C C 42 170.204 172.354 -2.150 1 1 369 . 19 1 1 A 43 43 PHE N N 43 118.643 119.222 -0.579 1 1 370 . 19 1 1 A 43 43 PHE H H 43 9.234 8.525 0.709 1 1 371 . 19 1 1 A 43 43 PHE CA C 43 57.292 57.508 -0.216 1 1 372 . 19 1 1 A 43 43 PHE HA H 43 5.041 4.832 0.209 1 1 373 . 19 1 1 A 43 43 PHE CB C 43 42.583 41.001 1.582 1 1 385 . 19 1 1 A 43 43 PHE C C 43 174.177 175.466 -1.289 1 1 387 . 19 1 1 A 44 44 ILE N N 44 120.124 119.938 0.186 1 1 388 . 19 1 1 A 44 44 ILE H H 44 8.876 8.824 0.052 1 1 389 . 19 1 1 A 44 44 ILE CA C 44 59.698 60.461 -0.763 1 1 390 . 19 1 1 A 44 44 ILE HA H 44 4.717 4.874 -0.157 1 1 391 . 19 1 1 A 44 44 ILE CB C 44 40.591 40.726 -0.135 1 1 403 . 19 1 1 A 44 44 ILE C C 44 174.483 175.445 -0.962 1 1 405 . 19 1 1 A 45 45 ASN N N 45 127.058 126.286 0.772 1 1 406 . 19 1 1 A 45 45 ASN H H 45 9.553 8.965 0.588 1 1 407 . 19 1 1 A 45 45 ASN CA C 45 52.099 52.859 -0.760 1 1 408 . 19 1 1 A 45 45 ASN HA H 45 5.380 4.815 0.565 1 1 409 . 19 1 1 A 45 45 ASN CB C 45 39.596 38.163 1.433 1 1 414 . 19 1 1 A 45 45 ASN C C 45 176.821 174.950 1.871 1 1 416 . 19 1 1 A 46 46 THR H H 46 9.223 8.322 0.901 1 1 417 . 19 1 1 A 46 46 THR CA C 46 61.534 60.552 0.982 1 1 418 . 19 1 1 A 46 46 THR HA H 46 4.368 4.798 -0.430 1 1 419 . 19 1 1 A 46 46 THR CB C 46 68.352 69.017 -0.665 1 1 425 . 19 1 1 A 46 46 THR C C 46 176.816 174.838 1.978 1 1 426 . 19 1 1 A 47 47 THR N N 47 116.732 114.483 2.249 1 1 427 . 19 1 1 A 47 47 THR H H 47 8.368 7.721 0.647 1 1 428 . 19 1 1 A 47 47 THR CA C 47 65.916 63.340 2.576 1 1 429 . 19 1 1 A 47 47 THR HA H 47 4.032 4.341 -0.309 1 1 430 . 19 1 1 A 47 47 THR CB C 47 69.870 69.492 0.378 1 1 436 . 19 1 1 A 47 47 THR C C 47 176.865 176.622 0.243 1 1 437 . 19 1 1 A 48 48 ARG N N 48 119.205 121.679 -2.474 1 1 438 . 19 1 1 A 48 48 ARG H H 48 8.785 8.059 0.726 1 1 439 . 19 1 1 A 48 48 ARG CA C 48 56.273 59.317 -3.044 1 1 440 . 19 1 1 A 48 48 ARG HA H 48 4.488 3.975 0.513 1 1 441 . 19 1 1 A 48 48 ARG CB C 48 30.862 29.867 0.995 1 1 447 . 19 1 1 A 48 48 ARG C C 48 176.314 178.504 -2.190 1 1 451 . 19 1 1 A 49 49 ALA N N 49 120.807 120.225 0.582 1 1 452 . 19 1 1 A 49 49 ALA H H 49 7.440 7.729 -0.289 1 1 453 . 19 1 1 A 49 49 ALA CA C 49 53.138 53.758 -0.620 1 1 454 . 19 1 1 A 49 49 ALA HA H 49 4.341 4.169 0.172 1 1 455 . 19 1 1 A 49 49 ALA CB C 49 22.427 19.285 3.142 1 1 459 . 19 1 1 A 49 49 ALA C C 49 177.914 178.171 -0.257 1 1 460 . 19 1 1 A 50 50 GLY N N 50 105.941 103.005 2.936 1 1 461 . 19 1 1 A 50 50 GLY H H 50 7.924 7.658 0.266 1 1 462 . 19 1 1 A 50 50 GLY CA C 50 44.229 44.453 -0.224 1 1 463 . 19 1 1 A 50 50 GLY HA3 H 50 4.325 4.186 0.139 1 1 464 . 19 1 1 A 50 50 GLY C C 50 171.089 172.946 -1.857 1 1 465 . 19 1 1 A 50 50 GLY HA2 H 50 3.948 4.160 -0.212 1 1 466 . 19 1 1 A 51 51 PRO CA C 51 63.140 63.276 -0.136 1 1 467 . 19 1 1 A 51 51 PRO HA H 51 4.588 4.460 0.128 1 1 468 . 19 1 1 A 51 51 PRO CB C 51 33.004 33.226 -0.222 1 1 477 . 19 1 1 A 52 52 GLY CA C 52 45.195 45.542 -0.347 1 1 478 . 19 1 1 A 52 52 GLY HA3 H 52 3.275 4.175 -0.900 1 1 479 . 19 1 1 A 52 52 GLY HA2 H 52 3.852 4.132 -0.280 1 1 480 . 19 1 1 A 53 53 THR N N 53 114.003 117.396 -3.393 1 1 481 . 19 1 1 A 53 53 THR H H 53 8.049 8.176 -0.127 1 1 482 . 19 1 1 A 53 53 THR CA C 53 62.352 61.455 0.897 1 1 483 . 19 1 1 A 53 53 THR HA H 53 4.436 4.503 -0.067 1 1 484 . 19 1 1 A 53 53 THR CB C 53 69.631 70.037 -0.406 1 1 490 . 19 1 1 A 54 54 LEU CA C 54 53.891 53.551 0.340 1 1 491 . 19 1 1 A 54 54 LEU HA H 54 5.077 5.017 0.060 1 1 492 . 19 1 1 A 54 54 LEU CB C 54 44.515 44.758 -0.243 1 1 503 . 19 1 1 A 55 55 SER N N 55 120.726 124.031 -3.305 1 1 504 . 19 1 1 A 55 55 SER H H 55 8.783 9.021 -0.238 1 1 505 . 19 1 1 A 55 55 SER CA C 55 56.249 57.737 -1.488 1 1 506 . 19 1 1 A 55 55 SER HA H 55 5.092 5.099 -0.007 1 1 507 . 19 1 1 A 55 55 SER CB C 55 65.032 65.083 -0.051 1 1 509 . 19 1 1 A 55 55 SER C C 55 173.165 173.580 -0.415 1 1 511 . 19 1 1 A 56 56 VAL N N 56 126.234 125.912 0.322 1 1 512 . 19 1 1 A 56 56 VAL H H 56 8.336 8.952 -0.616 1 1 513 . 19 1 1 A 56 56 VAL CA C 56 60.515 61.565 -1.050 1 1 514 . 19 1 1 A 56 56 VAL HA H 56 5.134 4.764 0.370 1 1 515 . 19 1 1 A 56 56 VAL CB C 56 34.463 34.666 -0.203 1 1 520 . 19 1 1 A 56 56 VAL C C 56 174.718 174.686 0.032 1 1 521 . 19 1 1 A 57 57 THR N N 57 120.539 123.291 -2.752 1 1 522 . 19 1 1 A 57 57 THR H H 57 8.828 9.067 -0.239 1 1 523 . 19 1 1 A 57 57 THR CA C 57 60.580 61.911 -1.331 1 1 524 . 19 1 1 A 57 57 THR HA H 57 5.132 5.094 0.038 1 1 525 . 19 1 1 A 57 57 THR CB C 57 72.187 70.260 1.927 1 1 531 . 19 1 1 A 57 57 THR C C 57 172.970 173.747 -0.777 1 1 532 . 19 1 1 A 58 58 ILE N N 58 123.949 128.034 -4.085 1 1 533 . 19 1 1 A 58 58 ILE H H 58 9.249 9.133 0.116 1 1 534 . 19 1 1 A 58 58 ILE CA C 58 61.297 59.668 1.629 1 1 535 . 19 1 1 A 58 58 ILE HA H 58 5.001 5.081 -0.080 1 1 536 . 19 1 1 A 58 58 ILE CB C 58 39.755 40.245 -0.490 1 1 548 . 19 1 1 A 58 58 ILE C C 58 174.848 174.492 0.356 1 1 550 . 19 1 1 A 59 59 GLU N N 59 129.027 126.589 2.438 1 1 551 . 19 1 1 A 59 59 GLU H H 59 8.966 9.009 -0.043 1 1 552 . 19 1 1 A 59 59 GLU CA C 59 53.911 54.590 -0.679 1 1 553 . 19 1 1 A 59 59 GLU HA H 59 5.427 5.254 0.173 1 1 554 . 19 1 1 A 59 59 GLU CB C 59 33.843 33.393 0.450 1 1 558 . 19 1 1 A 59 59 GLU C C 59 175.342 175.106 0.236 1 1 561 . 19 1 1 A 60 60 GLY N N 60 110.765 111.506 -0.741 1 1 562 . 19 1 1 A 60 60 GLY H H 60 8.597 8.180 0.417 1 1 563 . 19 1 1 A 60 60 GLY CA C 60 45.997 44.762 1.235 1 1 564 . 19 1 1 A 60 60 GLY HA3 H 60 3.908 3.726 0.182 1 1 565 . 19 1 1 A 60 60 GLY C C 60 171.205 173.746 -2.541 1 1 566 . 19 1 1 A 60 60 GLY HA2 H 60 3.685 3.109 0.576 1 1 567 . 19 1 1 A 61 61 PRO CA C 61 64.057 64.320 -0.263 1 1 568 . 19 1 1 A 61 61 PRO HA H 61 4.415 4.301 0.114 1 1 569 . 19 1 1 A 61 61 PRO CB C 61 32.143 32.121 0.022 1 1 575 . 19 1 1 A 61 61 PRO C C 61 175.925 176.398 -0.473 1 1 579 . 19 1 1 A 62 62 SER N N 62 108.413 111.966 -3.553 1 1 580 . 19 1 1 A 62 62 SER H H 62 7.144 7.569 -0.425 1 1 581 . 19 1 1 A 62 62 SER CA C 62 57.037 57.109 -0.072 1 1 582 . 19 1 1 A 62 62 SER HA H 62 4.596 4.821 -0.225 1 1 583 . 19 1 1 A 62 62 SER CB C 62 66.522 65.209 1.313 1 1 585 . 19 1 1 A 62 62 SER C C 62 172.446 173.231 -0.785 1 1 587 . 19 1 1 A 63 63 LYS N N 63 122.539 125.243 -2.704 1 1 588 . 19 1 1 A 63 63 LYS H H 63 8.620 8.397 0.223 1 1 589 . 19 1 1 A 63 63 LYS CA C 63 56.407 56.508 -0.101 1 1 590 . 19 1 1 A 63 63 LYS HA H 63 4.267 4.152 0.115 1 1 591 . 19 1 1 A 63 63 LYS CB C 63 32.576 32.621 -0.045 1 1 596 . 19 1 1 A 63 63 LYS C C 63 176.658 176.644 0.014 1 1 601 . 19 1 1 A 64 64 VAL N N 64 120.278 118.455 1.823 1 1 602 . 19 1 1 A 64 64 VAL H H 64 8.554 8.801 -0.247 1 1 603 . 19 1 1 A 64 64 VAL CA C 64 60.425 59.062 1.363 1 1 604 . 19 1 1 A 64 64 VAL HA H 64 4.460 4.879 -0.419 1 1 605 . 19 1 1 A 64 64 VAL CB C 64 32.938 35.881 -2.943 1 1 615 . 19 1 1 A 64 64 VAL C C 64 176.629 173.986 2.643 1 1 616 . 19 1 1 A 65 65 LYS N N 65 121.529 124.514 -2.985 1 1 617 . 19 1 1 A 65 65 LYS H H 65 8.139 8.637 -0.498 1 1 618 . 19 1 1 A 65 65 LYS CA C 65 56.181 55.675 0.506 1 1 619 . 19 1 1 A 65 65 LYS HA H 65 4.474 4.645 -0.171 1 1 620 . 19 1 1 A 65 65 LYS CB C 65 32.960 33.760 -0.800 1 1 627 . 19 1 1 A 65 65 LYS C C 65 176.309 175.605 0.704 1 1 632 . 19 1 1 A 66 66 MET N N 66 125.382 126.883 -1.501 1 1 633 . 19 1 1 A 66 66 MET H H 66 8.811 8.921 -0.110 1 1 634 . 19 1 1 A 66 66 MET CA C 66 55.055 54.029 1.026 1 1 635 . 19 1 1 A 66 66 MET HA H 66 5.393 5.223 0.170 1 1 636 . 19 1 1 A 66 66 MET CB C 66 37.398 33.323 4.075 1 1 644 . 19 1 1 A 66 66 MET C C 66 174.026 175.467 -1.441 1 1 647 . 19 1 1 A 67 67 ASP N N 67 122.714 123.498 -0.784 1 1 648 . 19 1 1 A 67 67 ASP H H 67 8.995 8.441 0.554 1 1 649 . 19 1 1 A 67 67 ASP CA C 67 53.231 52.891 0.340 1 1 650 . 19 1 1 A 67 67 ASP HA H 67 4.854 5.368 -0.514 1 1 651 . 19 1 1 A 67 67 ASP CB C 67 44.980 43.279 1.701 1 1 654 . 19 1 1 A 68 68 CYS H H 68 8.412 8.911 -0.499 1 1 655 . 19 1 1 A 68 68 CYS CA C 68 56.390 57.588 -1.198 1 1 656 . 19 1 1 A 68 68 CYS HA H 68 5.288 5.470 -0.182 1 1 657 . 19 1 1 A 68 68 CYS CB C 68 28.188 32.002 -3.814 1 1 660 . 19 1 1 A 69 69 GLN N N 69 125.044 124.660 0.384 1 1 661 . 19 1 1 A 69 69 GLN H H 69 9.116 8.652 0.464 1 1 662 . 19 1 1 A 69 69 GLN CA C 69 56.403 55.659 0.744 1 1 663 . 19 1 1 A 69 69 GLN HA H 69 5.290 4.637 0.653 1 1 664 . 19 1 1 A 69 69 GLN CB C 69 32.962 31.769 1.193 1 1 671 . 19 1 1 A 70 70 GLU N N 70 125.781 128.737 -2.956 1 1 672 . 19 1 1 A 70 70 GLU H H 70 8.979 8.926 0.053 1 1 673 . 19 1 1 A 70 70 GLU CA C 70 56.418 57.374 -0.956 1 1 674 . 19 1 1 A 70 70 GLU HA H 70 4.029 4.432 -0.403 1 1 675 . 19 1 1 A 70 70 GLU CB C 70 30.585 29.985 0.600 1 1 681 . 19 1 1 A 71 71 THR N N 71 118.158 117.821 0.337 1 1 682 . 19 1 1 A 71 71 THR H H 71 8.455 8.369 0.086 1 1 683 . 19 1 1 A 71 71 THR CA C 71 59.209 58.391 0.818 1 1 684 . 19 1 1 A 71 71 THR HA H 71 4.902 4.955 -0.053 1 1 685 . 19 1 1 A 71 71 THR CB C 71 68.926 69.487 -0.561 1 1 691 . 19 1 1 A 72 72 PRO CA C 72 65.290 64.243 1.047 1 1 692 . 19 1 1 A 72 72 PRO HA H 72 4.296 4.478 -0.182 1 1 693 . 19 1 1 A 72 72 PRO CB C 72 31.848 31.596 0.252 1 1 699 . 19 1 1 A 72 72 PRO C C 72 177.476 177.055 0.421 1 1 703 . 19 1 1 A 73 73 GLU N N 73 112.293 117.002 -4.709 1 1 704 . 19 1 1 A 73 73 GLU H H 73 7.562 8.570 -1.008 1 1 705 . 19 1 1 A 73 73 GLU CA C 73 55.577 57.642 -2.065 1 1 706 . 19 1 1 A 73 73 GLU HA H 73 4.370 4.287 0.083 1 1 707 . 19 1 1 A 73 73 GLU CB C 73 30.787 31.472 -0.685 1 1 711 . 19 1 1 A 73 73 GLU C C 73 174.438 176.571 -2.133 1 1 714 . 19 1 1 A 74 74 GLY N N 74 109.223 104.434 4.789 1 1 715 . 19 1 1 A 74 74 GLY H H 74 7.324 7.060 0.264 1 1 716 . 19 1 1 A 74 74 GLY CA C 74 47.146 45.947 1.199 1 1 717 . 19 1 1 A 74 74 GLY HA3 H 74 3.551 4.036 -0.485 1 1 718 . 19 1 1 A 74 74 GLY C C 74 172.589 170.925 1.664 1 1 719 . 19 1 1 A 74 74 GLY HA2 H 74 4.949 3.826 1.123 1 1 720 . 19 1 1 A 75 75 TYR N N 75 123.117 119.797 3.320 1 1 721 . 19 1 1 A 75 75 TYR H H 75 8.883 8.253 0.630 1 1 722 . 19 1 1 A 75 75 TYR CA C 75 57.566 56.453 1.113 1 1 723 . 19 1 1 A 75 75 TYR HA H 75 5.171 5.342 -0.171 1 1 724 . 19 1 1 A 75 75 TYR CB C 75 44.111 42.515 1.596 1 1 734 . 19 1 1 A 75 75 TYR C C 75 173.925 174.176 -0.251 1 1 736 . 19 1 1 A 76 76 LYS N N 76 124.633 124.895 -0.262 1 1 737 . 19 1 1 A 76 76 LYS H H 76 9.390 8.604 0.786 1 1 738 . 19 1 1 A 76 76 LYS CA C 76 55.055 55.121 -0.066 1 1 739 . 19 1 1 A 76 76 LYS HA H 76 4.594 4.766 -0.172 1 1 740 . 19 1 1 A 76 76 LYS CB C 76 35.124 34.467 0.657 1 1 748 . 19 1 1 A 76 76 LYS C C 76 174.069 174.872 -0.803 1 1 753 . 19 1 1 A 77 77 VAL N N 77 126.947 125.654 1.293 1 1 754 . 19 1 1 A 77 77 VAL H H 77 8.607 7.978 0.629 1 1 755 . 19 1 1 A 77 77 VAL CA C 77 60.894 60.660 0.234 1 1 756 . 19 1 1 A 77 77 VAL HA H 77 4.280 4.624 -0.344 1 1 757 . 19 1 1 A 77 77 VAL CB C 77 32.115 33.894 -1.779 1 1 767 . 19 1 1 A 77 77 VAL C C 77 173.586 174.454 -0.868 1 1 768 . 19 1 1 A 78 78 MET N N 78 123.986 124.884 -0.898 1 1 769 . 19 1 1 A 78 78 MET H H 78 8.410 8.928 -0.518 1 1 770 . 19 1 1 A 78 78 MET CA C 78 53.236 53.989 -0.753 1 1 771 . 19 1 1 A 78 78 MET HA H 78 5.290 5.443 -0.153 1 1 772 . 19 1 1 A 78 78 MET CB C 78 36.873 36.634 0.239 1 1 780 . 19 1 1 A 78 78 MET C C 78 174.665 174.568 0.097 1 1 783 . 19 1 1 A 79 79 TYR N N 79 117.488 118.581 -1.093 1 1 784 . 19 1 1 A 79 79 TYR H H 79 8.739 8.382 0.357 1 1 785 . 19 1 1 A 79 79 TYR CA C 79 56.011 56.258 -0.247 1 1 786 . 19 1 1 A 79 79 TYR HA H 79 5.654 5.259 0.395 1 1 787 . 19 1 1 A 79 79 TYR CB C 79 41.549 41.270 0.279 1 1 797 . 19 1 1 A 79 79 TYR C C 79 172.927 172.605 0.322 1 1 799 . 19 1 1 A 80 80 THR H H 80 8.383 8.813 -0.430 1 1 800 . 19 1 1 A 80 80 THR CA C 80 58.611 59.056 -0.445 1 1 801 . 19 1 1 A 80 80 THR HA H 80 4.978 4.810 0.168 1 1 802 . 19 1 1 A 80 80 THR CB C 80 70.258 70.733 -0.475 1 1 808 . 19 1 1 A 81 81 PRO CA C 81 61.531 62.729 -1.198 1 1 809 . 19 1 1 A 81 81 PRO HA H 81 4.532 4.812 -0.280 1 1 810 . 19 1 1 A 81 81 PRO CB C 81 32.774 31.813 0.961 1 1 819 . 19 1 1 A 82 82 MET N N 82 117.590 123.153 -5.563 1 1 820 . 19 1 1 A 82 82 MET H H 82 8.299 8.904 -0.605 1 1 821 . 19 1 1 A 82 82 MET CA C 82 53.882 57.765 -3.883 1 1 822 . 19 1 1 A 82 82 MET HA H 82 4.851 4.497 0.354 1 1 823 . 19 1 1 A 82 82 MET CB C 82 33.337 33.890 -0.553 1 1 831 . 19 1 1 A 82 82 MET C C 82 174.339 176.113 -1.774 1 1 834 . 19 1 1 A 83 83 ALA N N 83 119.196 119.406 -0.210 1 1 835 . 19 1 1 A 83 83 ALA H H 83 7.076 7.920 -0.844 1 1 836 . 19 1 1 A 83 83 ALA CA C 83 49.425 49.737 -0.312 1 1 837 . 19 1 1 A 83 83 ALA HA H 83 4.791 4.779 0.012 1 1 838 . 19 1 1 A 83 83 ALA CB C 83 20.682 21.340 -0.658 1 1 842 . 19 1 1 A 83 83 ALA C C 83 174.364 174.505 -0.141 1 1 843 . 19 1 1 A 84 84 PRO CA C 84 62.540 63.340 -0.800 1 1 844 . 19 1 1 A 84 84 PRO HA H 84 4.244 4.558 -0.314 1 1 845 . 19 1 1 A 84 84 PRO CB C 84 32.615 33.148 -0.533 1 1 851 . 19 1 1 A 84 84 PRO C C 84 174.214 175.915 -1.701 1 1 855 . 19 1 1 A 85 85 GLY N N 85 105.436 108.155 -2.719 1 1 856 . 19 1 1 A 85 85 GLY H H 85 8.855 8.237 0.618 1 1 857 . 19 1 1 A 85 85 GLY CA C 85 44.156 45.525 -1.369 1 1 858 . 19 1 1 A 85 85 GLY HA3 H 85 3.761 4.317 -0.556 1 1 859 . 19 1 1 A 85 85 GLY C C 85 171.801 172.247 -0.446 1 1 860 . 19 1 1 A 85 85 GLY HA2 H 85 4.515 4.272 0.243 1 1 861 . 19 1 1 A 86 86 ASN N N 86 119.042 118.687 0.355 1 1 862 . 19 1 1 A 86 86 ASN H H 86 8.573 8.704 -0.131 1 1 863 . 19 1 1 A 86 86 ASN CA C 86 52.499 51.870 0.629 1 1 864 . 19 1 1 A 86 86 ASN HA H 86 5.517 5.682 -0.165 1 1 865 . 19 1 1 A 86 86 ASN CB C 86 39.390 40.407 -1.017 1 1 870 . 19 1 1 A 86 86 ASN C C 86 174.453 173.823 0.630 1 1 872 . 19 1 1 A 87 87 TYR N N 87 122.992 122.680 0.312 1 1 873 . 19 1 1 A 87 87 TYR H H 87 9.369 8.736 0.633 1 1 874 . 19 1 1 A 87 87 TYR CA C 87 56.366 55.843 0.523 1 1 875 . 19 1 1 A 87 87 TYR HA H 87 5.140 5.511 -0.371 1 1 876 . 19 1 1 A 87 87 TYR CB C 87 40.267 41.451 -1.184 1 1 886 . 19 1 1 A 87 87 TYR C C 87 174.332 174.393 -0.061 1 1 888 . 19 1 1 A 88 88 LEU N N 88 124.720 124.487 0.233 1 1 889 . 19 1 1 A 88 88 LEU H H 88 9.306 9.074 0.232 1 1 890 . 19 1 1 A 88 88 LEU CA C 88 53.426 53.608 -0.182 1 1 891 . 19 1 1 A 88 88 LEU HA H 88 5.253 5.280 -0.027 1 1 892 . 19 1 1 A 88 88 LEU CB C 88 44.487 45.221 -0.734 1 1 904 . 19 1 1 A 88 88 LEU C C 88 177.074 174.629 2.445 1 1 906 . 19 1 1 A 89 89 ILE N N 89 130.469 128.058 2.411 1 1 907 . 19 1 1 A 89 89 ILE H H 89 9.807 9.189 0.618 1 1 908 . 19 1 1 A 89 89 ILE CA C 89 60.792 60.334 0.458 1 1 909 . 19 1 1 A 89 89 ILE HA H 89 4.851 4.944 -0.093 1 1 910 . 19 1 1 A 89 89 ILE CB C 89 39.662 40.482 -0.820 1 1 922 . 19 1 1 A 89 89 ILE C C 89 175.605 175.080 0.525 1 1 924 . 19 1 1 A 90 90 SER N N 90 123.845 123.354 0.491 1 1 925 . 19 1 1 A 90 90 SER H H 90 9.540 8.463 1.077 1 1 926 . 19 1 1 A 90 90 SER CA C 90 58.036 57.030 1.006 1 1 927 . 19 1 1 A 90 90 SER HA H 90 5.199 5.348 -0.149 1 1 928 . 19 1 1 A 90 90 SER CB C 90 64.133 66.587 -2.454 1 1 930 . 19 1 1 A 90 90 SER C C 90 173.566 173.570 -0.004 1 1 932 . 19 1 1 A 91 91 VAL N N 91 128.427 121.775 6.652 1 1 933 . 19 1 1 A 91 91 VAL H H 91 9.918 8.703 1.215 1 1 934 . 19 1 1 A 91 91 VAL CA C 91 61.447 61.706 -0.259 1 1 935 . 19 1 1 A 91 91 VAL HA H 91 4.837 4.765 0.072 1 1 936 . 19 1 1 A 91 91 VAL CB C 91 33.761 35.109 -1.348 1 1 946 . 19 1 1 A 91 91 VAL C C 91 173.296 174.491 -1.195 1 1 947 . 19 1 1 A 92 92 LYS N N 92 125.779 127.000 -1.221 1 1 948 . 19 1 1 A 92 92 LYS H H 92 8.892 8.523 0.369 1 1 949 . 19 1 1 A 92 92 LYS CA C 92 54.468 55.007 -0.539 1 1 950 . 19 1 1 A 92 92 LYS HA H 92 5.065 4.896 0.169 1 1 951 . 19 1 1 A 92 92 LYS CB C 92 36.106 33.951 2.155 1 1 959 . 19 1 1 A 92 92 LYS C C 92 175.189 174.136 1.053 1 1 964 . 19 1 1 A 93 93 TYR N N 93 120.251 126.032 -5.781 1 1 965 . 19 1 1 A 93 93 TYR H H 93 8.061 9.043 -0.982 1 1 966 . 19 1 1 A 93 93 TYR CA C 93 56.884 57.178 -0.294 1 1 967 . 19 1 1 A 93 93 TYR HA H 93 5.522 4.906 0.616 1 1 968 . 19 1 1 A 93 93 TYR CB C 93 44.120 41.179 2.941 1 1 978 . 19 1 1 A 93 93 TYR C C 93 175.517 176.389 -0.872 1 1 980 . 19 1 1 A 94 94 GLY N N 94 114.148 115.002 -0.854 1 1 981 . 19 1 1 A 94 94 GLY H H 94 8.274 8.251 0.023 1 1 982 . 19 1 1 A 94 94 GLY CA C 94 45.959 45.053 0.906 1 1 983 . 19 1 1 A 94 94 GLY HA3 H 94 3.705 3.898 -0.193 1 1 984 . 19 1 1 A 94 94 GLY C C 94 173.595 173.582 0.013 1 1 985 . 19 1 1 A 94 94 GLY HA2 H 94 3.877 3.732 0.145 1 1 986 . 19 1 1 A 95 95 GLY N N 95 107.010 106.267 0.743 1 1 987 . 19 1 1 A 95 95 GLY H H 95 7.452 7.738 -0.286 1 1 988 . 19 1 1 A 95 95 GLY CA C 95 43.954 45.930 -1.976 1 1 989 . 19 1 1 A 95 95 GLY HA3 H 95 3.618 4.060 -0.442 1 1 990 . 19 1 1 A 95 95 GLY C C 95 172.825 173.786 -0.961 1 1 991 . 19 1 1 A 95 95 GLY HA2 H 95 4.507 4.044 0.463 1 1 992 . 19 1 1 A 96 96 PRO CA C 96 63.221 64.631 -1.410 1 1 993 . 19 1 1 A 96 96 PRO HA H 96 4.413 4.281 0.132 1 1 994 . 19 1 1 A 96 96 PRO CB C 96 30.955 31.857 -0.902 1 1 1000 . 19 1 1 A 96 96 PRO C C 96 175.901 176.243 -0.342 1 1 1004 . 19 1 1 A 97 97 ASN N N 97 119.942 117.097 2.845 1 1 1005 . 19 1 1 A 97 97 ASN H H 97 8.172 7.955 0.217 1 1 1006 . 19 1 1 A 97 97 ASN CA C 97 52.914 53.694 -0.780 1 1 1007 . 19 1 1 A 97 97 ASN HA H 97 4.864 4.755 0.109 1 1 1008 . 19 1 1 A 97 97 ASN CB C 97 39.806 38.892 0.914 1 1 1013 . 19 1 1 A 97 97 ASN C C 97 174.285 174.898 -0.613 1 1 1015 . 19 1 1 A 98 98 HIS N N 98 121.803 121.719 0.084 1 1 1016 . 19 1 1 A 98 98 HIS H H 98 8.456 8.915 -0.459 1 1 1017 . 19 1 1 A 98 98 HIS CA C 98 58.023 56.307 1.716 1 1 1018 . 19 1 1 A 98 98 HIS HA H 98 4.475 4.813 -0.338 1 1 1019 . 19 1 1 A 98 98 HIS CB C 98 33.382 30.583 2.799 1 1 1025 . 19 1 1 A 98 98 HIS C C 98 177.938 175.188 2.750 1 1 1027 . 19 1 1 A 99 99 ILE N N 99 115.599 117.555 -1.956 1 1 1028 . 19 1 1 A 99 99 ILE H H 99 8.237 8.021 0.216 1 1 1029 . 19 1 1 A 99 99 ILE CA C 99 60.895 59.352 1.543 1 1 1030 . 19 1 1 A 99 99 ILE HA H 99 4.545 4.591 -0.046 1 1 1031 . 19 1 1 A 99 99 ILE CB C 99 38.675 40.389 -1.714 1 1 1043 . 19 1 1 A 99 99 ILE C C 99 176.165 176.164 0.001 1 1 1045 . 19 1 1 A 100 100 VAL H H 100 8.389 8.454 -0.065 1 1 1046 . 19 1 1 A 100 100 VAL CA C 100 65.835 64.911 0.924 1 1 1047 . 19 1 1 A 100 100 VAL HA H 100 3.673 3.649 0.024 1 1 1048 . 19 1 1 A 100 100 VAL CB C 100 31.169 31.620 -0.451 1 1 1058 . 19 1 1 A 101 101 GLY N N 101 116.014 115.596 0.418 1 1 1059 . 19 1 1 A 101 101 GLY H H 101 8.297 8.853 -0.556 1 1 1060 . 19 1 1 A 101 101 GLY CA C 101 44.626 44.940 -0.314 1 1 1061 . 19 1 1 A 101 101 GLY HA3 H 101 3.227 4.036 -0.809 1 1 1062 . 19 1 1 A 101 101 GLY C C 101 171.863 174.002 -2.139 1 1 1063 . 19 1 1 A 101 101 GLY HA2 H 101 4.207 3.979 0.228 1 1 1064 . 19 1 1 A 102 102 SER N N 102 111.977 115.164 -3.187 1 1 1065 . 19 1 1 A 102 102 SER H H 102 7.304 7.684 -0.380 1 1 1066 . 19 1 1 A 102 102 SER CA C 102 54.570 56.472 -1.902 1 1 1067 . 19 1 1 A 102 102 SER HA H 102 3.915 3.656 0.259 1 1 1068 . 19 1 1 A 102 102 SER CB C 102 62.569 63.755 -1.186 1 1 1071 . 19 1 1 A 103 103 PRO CA C 103 62.215 62.161 0.054 1 1 1072 . 19 1 1 A 103 103 PRO HA H 103 5.475 4.394 1.081 1 1 1073 . 19 1 1 A 103 103 PRO CB C 103 33.552 32.094 1.458 1 1 1079 . 19 1 1 A 103 103 PRO C C 103 175.646 175.158 0.488 1 1 1083 . 19 1 1 A 104 104 PHE N N 104 123.291 119.965 3.326 1 1 1084 . 19 1 1 A 104 104 PHE H H 104 9.465 8.839 0.626 1 1 1085 . 19 1 1 A 104 104 PHE CA C 104 57.015 57.305 -0.290 1 1 1086 . 19 1 1 A 104 104 PHE HA H 104 4.531 4.913 -0.382 1 1 1087 . 19 1 1 A 104 104 PHE CB C 104 40.607 40.933 -0.326 1 1 1099 . 19 1 1 A 104 104 PHE C C 104 175.305 175.165 0.140 1 1 1101 . 19 1 1 A 105 105 LYS N N 105 123.989 122.239 1.750 1 1 1102 . 19 1 1 A 105 105 LYS H H 105 8.712 8.862 -0.150 1 1 1103 . 19 1 1 A 105 105 LYS CA C 105 55.868 55.035 0.833 1 1 1104 . 19 1 1 A 105 105 LYS HA H 105 4.913 4.892 0.021 1 1 1105 . 19 1 1 A 105 105 LYS CB C 105 32.762 33.804 -1.042 1 1 1113 . 19 1 1 A 105 105 LYS C C 105 174.065 175.409 -1.344 1 1 1118 . 19 1 1 A 106 106 ALA N N 106 129.654 128.126 1.528 1 1 1119 . 19 1 1 A 106 106 ALA H H 106 8.964 8.567 0.397 1 1 1120 . 19 1 1 A 106 106 ALA CA C 106 50.325 50.400 -0.075 1 1 1121 . 19 1 1 A 106 106 ALA HA H 106 4.497 5.213 -0.716 1 1 1122 . 19 1 1 A 106 106 ALA CB C 106 20.496 22.010 -1.514 1 1 1126 . 19 1 1 A 106 106 ALA C C 106 176.111 175.529 0.582 1 1 1127 . 19 1 1 A 107 107 LYS N N 107 124.155 121.738 2.417 1 1 1128 . 19 1 1 A 107 107 LYS H H 107 7.955 8.681 -0.726 1 1 1129 . 19 1 1 A 107 107 LYS CA C 107 55.904 54.697 1.207 1 1 1130 . 19 1 1 A 107 107 LYS HA H 107 4.950 4.970 -0.020 1 1 1131 . 19 1 1 A 107 107 LYS CB C 107 33.755 34.969 -1.214 1 1 1139 . 19 1 1 A 107 107 LYS C C 107 175.350 174.991 0.359 1 1 1144 . 19 1 1 A 108 108 VAL N N 108 128.726 127.494 1.232 1 1 1145 . 19 1 1 A 108 108 VAL H H 108 9.373 8.835 0.538 1 1 1146 . 19 1 1 A 108 108 VAL CA C 108 60.804 61.111 -0.307 1 1 1147 . 19 1 1 A 108 108 VAL HA H 108 4.851 5.183 -0.332 1 1 1148 . 19 1 1 A 108 108 VAL CB C 108 33.175 33.232 -0.057 1 1 1158 . 19 1 1 A 108 108 VAL C C 108 177.017 175.652 1.365 1 1 1159 . 19 1 1 A 109 109 THR N N 109 121.067 117.527 3.540 1 1 1160 . 19 1 1 A 109 109 THR H H 109 8.527 8.367 0.160 1 1 1161 . 19 1 1 A 109 109 THR CA C 109 60.138 59.614 0.524 1 1 1162 . 19 1 1 A 109 109 THR HA H 109 4.864 5.091 -0.227 1 1 1163 . 19 1 1 A 109 109 THR CB C 109 70.960 71.595 -0.635 1 1 1169 . 19 1 1 A 109 109 THR C C 109 173.130 173.415 -0.285 1 1 1170 . 19 1 1 A 110 110 GLY N N 110 106.893 108.049 -1.156 1 1 1171 . 19 1 1 A 110 110 GLY H H 110 8.404 8.308 0.096 1 1 1172 . 19 1 1 A 110 110 GLY CA C 110 43.888 44.896 -1.008 1 1 1173 . 19 1 1 A 110 110 GLY HA3 H 110 3.851 4.231 -0.380 1 1 1174 . 19 1 1 A 110 110 GLY C C 110 173.870 172.017 1.853 1 1 1175 . 19 1 1 A 110 110 GLY HA2 H 110 4.773 4.230 0.543 1 1 1176 . 19 1 1 A 111 111 GLN N N 111 116.999 118.336 -1.337 1 1 1177 . 19 1 1 A 111 111 GLN H H 111 8.234 8.547 -0.313 1 1 1178 . 19 1 1 A 111 111 GLN CA C 111 55.230 53.758 1.472 1 1 1179 . 19 1 1 A 111 111 GLN HA H 111 4.269 5.043 -0.774 1 1 1180 . 19 1 1 A 111 111 GLN CB C 111 30.118 32.427 -2.309 1 1 1187 . 19 1 1 A 111 111 GLN C C 111 176.550 175.036 1.514 1 1 1190 . 19 1 1 A 112 112 ARG N N 112 122.131 122.638 -0.507 1 1 1191 . 19 1 1 A 112 112 ARG H H 112 8.832 8.475 0.357 1 1 1192 . 19 1 1 A 112 112 ARG CA C 112 57.384 56.613 0.771 1 1 1193 . 19 1 1 A 112 112 ARG HA H 112 4.300 4.125 0.175 1 1 1194 . 19 1 1 A 112 112 ARG CB C 112 30.059 30.324 -0.265 1 1 1200 . 19 1 1 A 112 112 ARG C C 112 175.836 176.458 -0.622 1 1 1204 . 19 1 1 A 113 113 LEU N N 113 126.764 127.474 -0.710 1 1 1205 . 19 1 1 A 113 113 LEU H H 113 8.424 8.593 -0.169 1 1 1206 . 19 1 1 A 113 113 LEU CA C 113 54.919 54.112 0.807 1 1 1207 . 19 1 1 A 113 113 LEU HA H 113 4.517 4.576 -0.059 1 1 1208 . 19 1 1 A 113 113 LEU CB C 113 42.706 41.693 1.013 1 1 1220 . 19 1 1 A 113 113 LEU C C 113 176.521 176.382 0.139 1 1 1222 . 19 1 1 A 116 116 PRO CA C 116 63.729 64.603 -0.874 1 1 1223 . 19 1 1 A 116 116 PRO HA H 116 4.436 4.465 -0.029 1 1 1224 . 19 1 1 A 116 116 PRO CB C 116 32.182 32.089 0.093 1 1 1233 . 19 1 1 A 117 117 GLY N N 117 110.092 107.600 2.492 1 1 1234 . 19 1 1 A 117 117 GLY H H 117 8.493 7.580 0.913 1 1 1235 . 19 1 1 A 118 118 SER CA C 118 58.420 56.825 1.595 1 1 1236 . 19 1 1 A 118 118 SER HA H 118 4.454 5.051 -0.597 1 1 1237 . 19 1 1 A 118 118 SER CB C 118 64.014 64.361 -0.347 1 1 1239 . 19 1 1 A 118 118 SER C C 118 174.495 173.423 1.072 1 1 1241 . 19 1 1 A 119 119 ALA N N 119 125.244 129.645 -4.401 1 1 1242 . 19 1 1 A 119 119 ALA H H 119 8.365 9.220 -0.855 1 1 1243 . 19 1 1 A 119 119 ALA CA C 119 52.697 50.538 2.159 1 1 1244 . 19 1 1 A 119 119 ALA HA H 119 4.333 5.251 -0.918 1 1 1245 . 19 1 1 A 119 119 ALA CB C 119 19.378 22.538 -3.160 1 1 1249 . 19 1 1 A 119 119 ALA C C 119 177.362 175.530 1.832 1 1 1250 . 19 1 1 A 120 120 ASN N N 120 117.122 119.339 -2.217 1 1 1251 . 19 1 1 A 120 120 ASN H H 120 8.311 8.849 -0.538 1 1 1252 . 19 1 1 A 120 120 ASN CA C 120 53.198 52.216 0.982 1 1 1253 . 19 1 1 A 120 120 ASN HA H 120 4.659 5.388 -0.729 1 1 1254 . 19 1 1 A 120 120 ASN CB C 120 38.852 43.389 -4.537 1 1 1259 . 19 1 1 A 120 120 ASN C C 120 175.112 173.660 1.452 1 1 1261 . 19 1 1 A 122 122 THR CA C 122 61.947 59.944 2.003 1 1 1262 . 19 1 1 A 122 122 THR HA H 122 4.197 5.159 -0.962 1 1 1263 . 19 1 1 A 122 122 THR CB C 122 69.949 71.988 -2.039 1 1 1 . 20 1 1 A 9 9 LYS N N 9 120.806 123.837 -3.031 1 1 2 . 20 1 1 A 9 9 LYS H H 9 8.548 8.818 -0.270 1 1 3 . 20 1 1 A 9 9 LYS CA C 9 56.358 56.342 0.016 1 1 4 . 20 1 1 A 9 9 LYS HA H 9 4.261 4.485 -0.224 1 1 5 . 20 1 1 A 9 9 LYS CB C 9 32.673 31.937 0.736 1 1 17 . 20 1 1 A 10 10 VAL HA H 10 4.307 4.741 -0.434 1 1 18 . 20 1 1 A 10 10 VAL CB C 10 34.845 35.677 -0.832 1 1 24 . 20 1 1 A 11 11 ARG N N 11 125.757 127.785 -2.028 1 1 25 . 20 1 1 A 11 11 ARG H H 11 8.546 8.689 -0.143 1 1 26 . 20 1 1 A 11 11 ARG CA C 11 55.966 55.924 0.042 1 1 27 . 20 1 1 A 11 11 ARG HA H 11 4.463 4.697 -0.234 1 1 28 . 20 1 1 A 11 11 ARG CB C 11 30.834 30.907 -0.073 1 1 37 . 20 1 1 A 12 12 VAL CA C 12 62.370 62.965 -0.595 1 1 38 . 20 1 1 A 12 12 VAL HA H 12 4.205 3.975 0.230 1 1 39 . 20 1 1 A 12 12 VAL CB C 12 32.571 31.264 1.307 1 1 48 . 20 1 1 A 13 13 GLY N N 13 113.294 114.864 -1.570 1 1 49 . 20 1 1 A 13 13 GLY H H 13 8.608 8.978 -0.370 1 1 50 . 20 1 1 A 13 13 GLY CA C 13 44.973 45.147 -0.174 1 1 51 . 20 1 1 A 13 13 GLY HA3 H 13 4.024 4.049 -0.025 1 1 52 . 20 1 1 A 13 13 GLY HA2 H 13 3.891 4.047 -0.156 1 1 53 . 20 1 1 A 14 14 GLU N N 14 120.644 125.800 -5.156 1 1 54 . 20 1 1 A 14 14 GLU H H 14 8.139 8.590 -0.451 1 1 55 . 20 1 1 A 14 14 GLU CA C 14 54.101 55.019 -0.918 1 1 56 . 20 1 1 A 14 14 GLU HA H 14 4.626 4.563 0.063 1 1 57 . 20 1 1 A 14 14 GLU CB C 14 30.026 29.790 0.236 1 1 63 . 20 1 1 A 15 15 PRO CA C 15 63.731 64.347 -0.616 1 1 64 . 20 1 1 A 15 15 PRO HA H 15 4.319 4.431 -0.112 1 1 65 . 20 1 1 A 15 15 PRO CB C 15 31.974 32.081 -0.107 1 1 71 . 20 1 1 A 15 15 PRO C C 15 177.450 177.512 -0.062 1 1 75 . 20 1 1 A 16 16 GLY N N 16 109.768 108.789 0.979 1 1 76 . 20 1 1 A 16 16 GLY H H 16 8.577 8.390 0.187 1 1 77 . 20 1 1 A 16 16 GLY CA C 16 45.424 46.599 -1.175 1 1 78 . 20 1 1 A 16 16 GLY HA3 H 16 3.804 3.947 -0.143 1 1 79 . 20 1 1 A 16 16 GLY C C 16 174.160 174.305 -0.145 1 1 80 . 20 1 1 A 16 16 GLY HA2 H 16 4.086 3.944 0.142 1 1 81 . 20 1 1 A 17 17 GLN N N 17 119.726 119.104 0.622 1 1 82 . 20 1 1 A 17 17 GLN H H 17 7.868 7.857 0.011 1 1 83 . 20 1 1 A 17 17 GLN CA C 17 55.403 54.029 1.374 1 1 84 . 20 1 1 A 17 17 GLN HA H 17 4.389 4.726 -0.337 1 1 85 . 20 1 1 A 17 17 GLN CB C 17 29.894 31.630 -1.736 1 1 92 . 20 1 1 A 17 17 GLN C C 17 175.290 174.806 0.484 1 1 95 . 20 1 1 A 18 18 ALA N N 18 125.593 126.981 -1.388 1 1 96 . 20 1 1 A 18 18 ALA H H 18 8.469 8.558 -0.089 1 1 97 . 20 1 1 A 18 18 ALA CA C 18 52.389 53.923 -1.534 1 1 98 . 20 1 1 A 18 18 ALA HA H 18 4.448 3.984 0.464 1 1 99 . 20 1 1 A 18 18 ALA CB C 18 19.959 18.585 1.374 1 1 103 . 20 1 1 A 18 18 ALA C C 18 177.464 178.252 -0.788 1 1 104 . 20 1 1 A 19 19 GLY N N 19 109.162 112.592 -3.430 1 1 105 . 20 1 1 A 19 19 GLY H H 19 8.294 8.823 -0.529 1 1 106 . 20 1 1 A 19 19 GLY CA C 19 45.270 44.871 0.399 1 1 107 . 20 1 1 A 19 19 GLY HA3 H 19 3.853 4.193 -0.340 1 1 108 . 20 1 1 A 19 19 GLY C C 19 173.012 172.606 0.406 1 1 109 . 20 1 1 A 19 19 GLY HA2 H 19 4.207 4.168 0.039 1 1 110 . 20 1 1 A 20 20 ASN N N 20 118.861 120.960 -2.099 1 1 111 . 20 1 1 A 20 20 ASN H H 20 8.479 8.697 -0.218 1 1 112 . 20 1 1 A 20 20 ASN CA C 20 50.128 49.590 0.538 1 1 113 . 20 1 1 A 20 20 ASN HA H 20 5.236 5.335 -0.099 1 1 114 . 20 1 1 A 20 20 ASN CB C 20 39.697 40.883 -1.186 1 1 119 . 20 1 1 A 20 20 ASN C C 20 174.482 175.102 -0.620 1 1 121 . 20 1 1 A 21 21 PRO CA C 21 64.588 65.405 -0.817 1 1 122 . 20 1 1 A 21 21 PRO HA H 21 4.312 4.033 0.279 1 1 123 . 20 1 1 A 21 21 PRO CB C 21 31.950 32.051 -0.101 1 1 129 . 20 1 1 A 21 21 PRO C C 21 177.141 178.054 -0.913 1 1 133 . 20 1 1 A 22 22 ALA N N 22 118.898 118.605 0.293 1 1 134 . 20 1 1 A 22 22 ALA H H 22 7.918 8.354 -0.436 1 1 135 . 20 1 1 A 22 22 ALA CA C 22 53.499 55.319 -1.820 1 1 136 . 20 1 1 A 22 22 ALA HA H 22 4.386 3.991 0.395 1 1 137 . 20 1 1 A 22 22 ALA CB C 22 18.288 18.491 -0.203 1 1 141 . 20 1 1 A 22 22 ALA C C 22 178.115 180.307 -2.192 1 1 142 . 20 1 1 A 23 23 LEU N N 23 116.219 117.074 -0.855 1 1 143 . 20 1 1 A 23 23 LEU H H 23 7.696 7.955 -0.259 1 1 144 . 20 1 1 A 23 23 LEU CA C 23 53.851 57.919 -4.068 1 1 145 . 20 1 1 A 23 23 LEU HA H 23 4.475 3.930 0.545 1 1 146 . 20 1 1 A 23 23 LEU CB C 23 41.958 41.611 0.347 1 1 158 . 20 1 1 A 23 23 LEU C C 23 176.653 177.939 -1.286 1 1 160 . 20 1 1 A 24 24 VAL N N 24 122.233 119.447 2.786 1 1 161 . 20 1 1 A 24 24 VAL H H 24 7.207 7.538 -0.331 1 1 162 . 20 1 1 A 24 24 VAL CA C 24 62.768 63.233 -0.465 1 1 163 . 20 1 1 A 24 24 VAL HA H 24 4.081 4.217 -0.136 1 1 164 . 20 1 1 A 24 24 VAL CB C 24 32.408 31.434 0.974 1 1 174 . 20 1 1 A 24 24 VAL C C 24 174.702 175.876 -1.174 1 1 175 . 20 1 1 A 25 25 SER N N 25 120.181 121.605 -1.424 1 1 176 . 20 1 1 A 25 25 SER H H 25 8.109 8.724 -0.615 1 1 177 . 20 1 1 A 25 25 SER CA C 25 56.489 56.493 -0.004 1 1 178 . 20 1 1 A 25 25 SER HA H 25 5.159 5.278 -0.119 1 1 179 . 20 1 1 A 25 25 SER CB C 25 66.443 66.517 -0.074 1 1 181 . 20 1 1 A 25 25 SER C C 25 172.102 173.078 -0.976 1 1 183 . 20 1 1 A 26 26 ALA N N 26 124.850 124.870 -0.020 1 1 184 . 20 1 1 A 26 26 ALA H H 26 8.839 8.998 -0.159 1 1 185 . 20 1 1 A 26 26 ALA CA C 26 50.395 50.922 -0.527 1 1 186 . 20 1 1 A 26 26 ALA HA H 26 5.796 5.382 0.414 1 1 187 . 20 1 1 A 26 26 ALA CB C 26 22.868 22.064 0.804 1 1 191 . 20 1 1 A 26 26 ALA C C 26 175.694 175.722 -0.028 1 1 192 . 20 1 1 A 27 27 TYR N N 27 117.541 117.990 -0.449 1 1 193 . 20 1 1 A 27 27 TYR H H 27 8.831 9.260 -0.429 1 1 194 . 20 1 1 A 27 27 TYR CA C 27 56.610 55.749 0.861 1 1 195 . 20 1 1 A 27 27 TYR HA H 27 4.851 5.341 -0.490 1 1 196 . 20 1 1 A 27 27 TYR CB C 27 39.737 41.876 -2.139 1 1 206 . 20 1 1 A 27 27 TYR C C 27 173.299 173.929 -0.630 1 1 208 . 20 1 1 A 28 28 GLY N N 28 108.355 106.366 1.989 1 1 209 . 20 1 1 A 28 28 GLY H H 28 8.788 8.450 0.338 1 1 210 . 20 1 1 A 28 28 GLY CA C 28 44.056 45.544 -1.488 1 1 211 . 20 1 1 A 28 28 GLY HA3 H 28 4.304 4.255 0.049 1 1 212 . 20 1 1 A 28 28 GLY C C 28 176.208 173.683 2.525 1 1 213 . 20 1 1 A 28 28 GLY HA2 H 28 5.047 4.189 0.858 1 1 214 . 20 1 1 A 29 29 THR N N 29 115.659 115.958 -0.299 1 1 215 . 20 1 1 A 29 29 THR H H 29 9.027 8.281 0.746 1 1 216 . 20 1 1 A 29 29 THR CA C 29 65.419 62.425 2.994 1 1 217 . 20 1 1 A 29 29 THR HA H 29 4.171 4.467 -0.296 1 1 218 . 20 1 1 A 29 29 THR CB C 29 68.659 70.471 -1.812 1 1 224 . 20 1 1 A 29 29 THR C C 29 178.141 175.388 2.753 1 1 225 . 20 1 1 A 30 30 GLY N N 30 107.400 108.582 -1.182 1 1 226 . 20 1 1 A 30 30 GLY H H 30 8.747 8.488 0.259 1 1 227 . 20 1 1 A 30 30 GLY CA C 30 46.719 46.999 -0.280 1 1 228 . 20 1 1 A 30 30 GLY HA3 H 30 3.556 3.667 -0.111 1 1 229 . 20 1 1 A 30 30 GLY C C 30 173.896 175.618 -1.722 1 1 230 . 20 1 1 A 30 30 GLY HA2 H 30 4.483 3.647 0.836 1 1 231 . 20 1 1 A 31 31 LEU N N 31 118.075 122.940 -4.865 1 1 232 . 20 1 1 A 31 31 LEU H H 31 7.389 8.026 -0.637 1 1 233 . 20 1 1 A 31 31 LEU CA C 31 55.799 57.523 -1.724 1 1 234 . 20 1 1 A 31 31 LEU HA H 31 3.778 4.023 -0.245 1 1 235 . 20 1 1 A 31 31 LEU CB C 31 41.564 41.204 0.360 1 1 247 . 20 1 1 A 31 31 LEU C C 31 176.045 179.104 -3.059 1 1 249 . 20 1 1 A 32 32 GLU N N 32 112.872 117.060 -4.188 1 1 250 . 20 1 1 A 32 32 GLU H H 32 7.509 7.818 -0.309 1 1 251 . 20 1 1 A 32 32 GLU CA C 32 56.330 58.240 -1.910 1 1 252 . 20 1 1 A 32 32 GLU HA H 32 4.717 4.095 0.622 1 1 253 . 20 1 1 A 32 32 GLU CB C 32 31.924 30.202 1.722 1 1 257 . 20 1 1 A 32 32 GLU C C 32 177.958 176.600 1.358 1 1 260 . 20 1 1 A 33 33 GLY N N 33 107.880 105.628 2.252 1 1 261 . 20 1 1 A 33 33 GLY H H 33 7.822 6.946 0.876 1 1 262 . 20 1 1 A 33 33 GLY CA C 33 45.568 45.319 0.249 1 1 263 . 20 1 1 A 33 33 GLY HA3 H 33 4.125 4.101 0.024 1 1 264 . 20 1 1 A 33 33 GLY C C 33 172.046 171.972 0.074 1 1 265 . 20 1 1 A 33 33 GLY HA2 H 33 4.661 4.089 0.572 1 1 266 . 20 1 1 A 34 34 GLY N N 34 105.841 107.974 -2.133 1 1 267 . 20 1 1 A 34 34 GLY H H 34 7.740 8.671 -0.931 1 1 268 . 20 1 1 A 34 34 GLY CA C 34 45.215 45.395 -0.180 1 1 269 . 20 1 1 A 34 34 GLY HA3 H 34 3.988 4.123 -0.135 1 1 270 . 20 1 1 A 34 34 GLY C C 34 171.280 172.764 -1.484 1 1 271 . 20 1 1 A 34 34 GLY HA2 H 34 4.030 4.109 -0.079 1 1 272 . 20 1 1 A 35 35 THR N N 35 119.173 121.945 -2.772 1 1 273 . 20 1 1 A 35 35 THR H H 35 9.363 9.172 0.191 1 1 274 . 20 1 1 A 35 35 THR CA C 35 60.844 61.541 -0.697 1 1 275 . 20 1 1 A 35 35 THR HA H 35 5.177 4.882 0.295 1 1 276 . 20 1 1 A 35 35 THR CB C 35 72.095 69.023 3.072 1 1 282 . 20 1 1 A 35 35 THR C C 35 173.460 174.136 -0.676 1 1 283 . 20 1 1 A 36 36 THR N N 36 116.864 122.558 -5.694 1 1 284 . 20 1 1 A 36 36 THR H H 36 8.425 8.557 -0.132 1 1 285 . 20 1 1 A 36 36 THR CA C 36 62.841 64.937 -2.096 1 1 286 . 20 1 1 A 36 36 THR HA H 36 3.701 3.922 -0.221 1 1 287 . 20 1 1 A 36 36 THR CB C 36 68.447 68.495 -0.048 1 1 293 . 20 1 1 A 36 36 THR C C 36 175.396 175.824 -0.428 1 1 294 . 20 1 1 A 37 37 GLY N N 37 107.461 114.073 -6.612 1 1 295 . 20 1 1 A 37 37 GLY H H 37 8.548 8.784 -0.236 1 1 296 . 20 1 1 A 37 37 GLY CA C 37 45.434 44.953 0.481 1 1 297 . 20 1 1 A 37 37 GLY HA3 H 37 3.386 3.986 -0.600 1 1 298 . 20 1 1 A 37 37 GLY C C 37 172.598 173.761 -1.163 1 1 299 . 20 1 1 A 37 37 GLY HA2 H 37 4.024 3.985 0.039 1 1 300 . 20 1 1 A 38 38 ILE N N 38 122.313 121.850 0.463 1 1 301 . 20 1 1 A 38 38 ILE H H 38 7.871 7.936 -0.065 1 1 302 . 20 1 1 A 38 38 ILE CA C 38 58.566 59.827 -1.261 1 1 303 . 20 1 1 A 38 38 ILE HA H 38 4.274 4.530 -0.256 1 1 304 . 20 1 1 A 38 38 ILE CB C 38 38.476 39.744 -1.268 1 1 316 . 20 1 1 A 38 38 ILE C C 38 175.081 174.706 0.375 1 1 318 . 20 1 1 A 39 39 GLN N N 39 127.942 124.639 3.303 1 1 319 . 20 1 1 A 39 39 GLN H H 39 8.487 8.742 -0.255 1 1 320 . 20 1 1 A 39 39 GLN CA C 39 57.394 53.906 3.488 1 1 321 . 20 1 1 A 39 39 GLN HA H 39 4.312 5.044 -0.732 1 1 322 . 20 1 1 A 39 39 GLN CB C 39 31.057 31.664 -0.607 1 1 329 . 20 1 1 A 39 39 GLN C C 39 176.011 174.523 1.488 1 1 332 . 20 1 1 A 40 40 SER N N 40 125.784 124.003 1.781 1 1 333 . 20 1 1 A 40 40 SER H H 40 9.167 8.676 0.491 1 1 334 . 20 1 1 A 40 40 SER CA C 40 58.188 57.183 1.005 1 1 335 . 20 1 1 A 40 40 SER HA H 40 4.633 5.159 -0.526 1 1 336 . 20 1 1 A 40 40 SER CB C 40 66.149 65.472 0.677 1 1 338 . 20 1 1 A 40 40 SER C C 40 172.625 172.912 -0.287 1 1 340 . 20 1 1 A 41 41 GLU N N 41 117.679 119.270 -1.591 1 1 341 . 20 1 1 A 41 41 GLU H H 41 8.773 9.049 -0.276 1 1 342 . 20 1 1 A 41 41 GLU CA C 41 54.060 54.394 -0.334 1 1 343 . 20 1 1 A 41 41 GLU HA H 41 5.629 5.023 0.606 1 1 344 . 20 1 1 A 41 41 GLU CB C 41 34.053 32.951 1.102 1 1 348 . 20 1 1 A 41 41 GLU C C 41 175.607 174.933 0.674 1 1 351 . 20 1 1 A 42 42 PHE N N 42 116.557 117.312 -0.755 1 1 352 . 20 1 1 A 42 42 PHE H H 42 8.753 7.594 1.159 1 1 353 . 20 1 1 A 42 42 PHE CA C 42 56.847 54.937 1.910 1 1 354 . 20 1 1 A 42 42 PHE HA H 42 4.743 5.478 -0.735 1 1 355 . 20 1 1 A 42 42 PHE CB C 42 40.908 42.435 -1.527 1 1 367 . 20 1 1 A 42 42 PHE C C 42 170.204 173.111 -2.907 1 1 369 . 20 1 1 A 43 43 PHE N N 43 118.643 119.930 -1.287 1 1 370 . 20 1 1 A 43 43 PHE H H 43 9.234 8.612 0.622 1 1 371 . 20 1 1 A 43 43 PHE CA C 43 57.292 57.142 0.150 1 1 372 . 20 1 1 A 43 43 PHE HA H 43 5.041 4.807 0.234 1 1 373 . 20 1 1 A 43 43 PHE CB C 43 42.583 40.411 2.172 1 1 385 . 20 1 1 A 43 43 PHE C C 43 174.177 175.157 -0.980 1 1 387 . 20 1 1 A 44 44 ILE N N 44 120.124 122.166 -2.042 1 1 388 . 20 1 1 A 44 44 ILE H H 44 8.876 9.244 -0.368 1 1 389 . 20 1 1 A 44 44 ILE CA C 44 59.698 60.345 -0.647 1 1 390 . 20 1 1 A 44 44 ILE HA H 44 4.717 4.873 -0.156 1 1 391 . 20 1 1 A 44 44 ILE CB C 44 40.591 39.390 1.201 1 1 403 . 20 1 1 A 44 44 ILE C C 44 174.483 175.106 -0.623 1 1 405 . 20 1 1 A 45 45 ASN N N 45 127.058 126.488 0.570 1 1 406 . 20 1 1 A 45 45 ASN H H 45 9.553 9.459 0.094 1 1 407 . 20 1 1 A 45 45 ASN CA C 45 52.099 52.981 -0.882 1 1 408 . 20 1 1 A 45 45 ASN HA H 45 5.380 4.980 0.400 1 1 409 . 20 1 1 A 45 45 ASN CB C 45 39.596 37.916 1.680 1 1 414 . 20 1 1 A 45 45 ASN C C 45 176.821 175.153 1.668 1 1 416 . 20 1 1 A 46 46 THR H H 46 9.223 8.618 0.605 1 1 417 . 20 1 1 A 46 46 THR CA C 46 61.534 60.914 0.620 1 1 418 . 20 1 1 A 46 46 THR HA H 46 4.368 4.714 -0.346 1 1 419 . 20 1 1 A 46 46 THR CB C 46 68.352 69.827 -1.475 1 1 425 . 20 1 1 A 46 46 THR C C 46 176.816 174.376 2.440 1 1 426 . 20 1 1 A 47 47 THR N N 47 116.732 117.399 -0.667 1 1 427 . 20 1 1 A 47 47 THR H H 47 8.368 7.687 0.681 1 1 428 . 20 1 1 A 47 47 THR CA C 47 65.916 63.077 2.839 1 1 429 . 20 1 1 A 47 47 THR HA H 47 4.032 4.498 -0.466 1 1 430 . 20 1 1 A 47 47 THR CB C 47 69.870 69.743 0.127 1 1 436 . 20 1 1 A 47 47 THR C C 47 176.865 175.776 1.089 1 1 437 . 20 1 1 A 48 48 ARG N N 48 119.205 120.884 -1.679 1 1 438 . 20 1 1 A 48 48 ARG H H 48 8.785 8.257 0.528 1 1 439 . 20 1 1 A 48 48 ARG CA C 48 56.273 57.234 -0.961 1 1 440 . 20 1 1 A 48 48 ARG HA H 48 4.488 4.238 0.250 1 1 441 . 20 1 1 A 48 48 ARG CB C 48 30.862 30.470 0.392 1 1 447 . 20 1 1 A 48 48 ARG C C 48 176.314 177.822 -1.508 1 1 451 . 20 1 1 A 49 49 ALA N N 49 120.807 120.651 0.156 1 1 452 . 20 1 1 A 49 49 ALA H H 49 7.440 7.934 -0.494 1 1 453 . 20 1 1 A 49 49 ALA CA C 49 53.138 53.067 0.071 1 1 454 . 20 1 1 A 49 49 ALA HA H 49 4.341 4.249 0.092 1 1 455 . 20 1 1 A 49 49 ALA CB C 49 22.427 19.398 3.029 1 1 459 . 20 1 1 A 49 49 ALA C C 49 177.914 177.331 0.583 1 1 460 . 20 1 1 A 50 50 GLY N N 50 105.941 104.996 0.945 1 1 461 . 20 1 1 A 50 50 GLY H H 50 7.924 7.626 0.298 1 1 462 . 20 1 1 A 50 50 GLY CA C 50 44.229 45.010 -0.781 1 1 463 . 20 1 1 A 50 50 GLY HA3 H 50 4.325 4.188 0.137 1 1 464 . 20 1 1 A 50 50 GLY C C 50 171.089 173.588 -2.499 1 1 465 . 20 1 1 A 50 50 GLY HA2 H 50 3.948 4.159 -0.211 1 1 466 . 20 1 1 A 51 51 PRO CA C 51 63.140 62.675 0.465 1 1 467 . 20 1 1 A 51 51 PRO HA H 51 4.588 4.561 0.027 1 1 468 . 20 1 1 A 51 51 PRO CB C 51 33.004 33.480 -0.476 1 1 477 . 20 1 1 A 52 52 GLY CA C 52 45.195 45.797 -0.602 1 1 478 . 20 1 1 A 52 52 GLY HA3 H 52 3.275 4.213 -0.938 1 1 479 . 20 1 1 A 52 52 GLY HA2 H 52 3.852 4.169 -0.317 1 1 480 . 20 1 1 A 53 53 THR N N 53 114.003 114.758 -0.755 1 1 481 . 20 1 1 A 53 53 THR H H 53 8.049 7.504 0.545 1 1 482 . 20 1 1 A 53 53 THR CA C 53 62.352 61.073 1.279 1 1 483 . 20 1 1 A 53 53 THR HA H 53 4.436 4.803 -0.367 1 1 484 . 20 1 1 A 53 53 THR CB C 53 69.631 70.081 -0.450 1 1 490 . 20 1 1 A 54 54 LEU CA C 54 53.891 52.965 0.926 1 1 491 . 20 1 1 A 54 54 LEU HA H 54 5.077 5.316 -0.239 1 1 492 . 20 1 1 A 54 54 LEU CB C 54 44.515 46.292 -1.777 1 1 503 . 20 1 1 A 55 55 SER N N 55 120.726 115.657 5.069 1 1 504 . 20 1 1 A 55 55 SER H H 55 8.783 8.920 -0.137 1 1 505 . 20 1 1 A 55 55 SER CA C 55 56.249 56.865 -0.616 1 1 506 . 20 1 1 A 55 55 SER HA H 55 5.092 4.928 0.164 1 1 507 . 20 1 1 A 55 55 SER CB C 55 65.032 64.403 0.629 1 1 509 . 20 1 1 A 55 55 SER C C 55 173.165 173.043 0.122 1 1 511 . 20 1 1 A 56 56 VAL N N 56 126.234 129.239 -3.005 1 1 512 . 20 1 1 A 56 56 VAL H H 56 8.336 8.985 -0.649 1 1 513 . 20 1 1 A 56 56 VAL CA C 56 60.515 60.238 0.277 1 1 514 . 20 1 1 A 56 56 VAL HA H 56 5.134 4.883 0.251 1 1 515 . 20 1 1 A 56 56 VAL CB C 56 34.463 34.189 0.274 1 1 520 . 20 1 1 A 56 56 VAL C C 56 174.718 174.656 0.062 1 1 521 . 20 1 1 A 57 57 THR N N 57 120.539 123.414 -2.875 1 1 522 . 20 1 1 A 57 57 THR H H 57 8.828 8.812 0.016 1 1 523 . 20 1 1 A 57 57 THR CA C 57 60.580 61.597 -1.017 1 1 524 . 20 1 1 A 57 57 THR HA H 57 5.132 5.093 0.039 1 1 525 . 20 1 1 A 57 57 THR CB C 57 72.187 72.494 -0.307 1 1 531 . 20 1 1 A 57 57 THR C C 57 172.970 173.460 -0.490 1 1 532 . 20 1 1 A 58 58 ILE N N 58 123.949 125.794 -1.845 1 1 533 . 20 1 1 A 58 58 ILE H H 58 9.249 8.954 0.295 1 1 534 . 20 1 1 A 58 58 ILE CA C 58 61.297 59.761 1.536 1 1 535 . 20 1 1 A 58 58 ILE HA H 58 5.001 5.355 -0.354 1 1 536 . 20 1 1 A 58 58 ILE CB C 58 39.755 40.915 -1.160 1 1 548 . 20 1 1 A 58 58 ILE C C 58 174.848 174.625 0.223 1 1 550 . 20 1 1 A 59 59 GLU N N 59 129.027 125.830 3.197 1 1 551 . 20 1 1 A 59 59 GLU H H 59 8.966 9.022 -0.056 1 1 552 . 20 1 1 A 59 59 GLU CA C 59 53.911 54.657 -0.746 1 1 553 . 20 1 1 A 59 59 GLU HA H 59 5.427 5.337 0.090 1 1 554 . 20 1 1 A 59 59 GLU CB C 59 33.843 33.425 0.418 1 1 558 . 20 1 1 A 59 59 GLU C C 59 175.342 175.454 -0.112 1 1 561 . 20 1 1 A 60 60 GLY N N 60 110.765 112.332 -1.567 1 1 562 . 20 1 1 A 60 60 GLY H H 60 8.597 8.234 0.363 1 1 563 . 20 1 1 A 60 60 GLY CA C 60 45.997 44.735 1.262 1 1 564 . 20 1 1 A 60 60 GLY HA3 H 60 3.908 3.801 0.107 1 1 565 . 20 1 1 A 60 60 GLY C C 60 171.205 173.933 -2.728 1 1 566 . 20 1 1 A 60 60 GLY HA2 H 60 3.685 3.210 0.475 1 1 567 . 20 1 1 A 61 61 PRO CA C 61 64.057 64.727 -0.670 1 1 568 . 20 1 1 A 61 61 PRO HA H 61 4.415 4.291 0.124 1 1 569 . 20 1 1 A 61 61 PRO CB C 61 32.143 31.982 0.161 1 1 575 . 20 1 1 A 61 61 PRO C C 61 175.925 176.353 -0.428 1 1 579 . 20 1 1 A 62 62 SER N N 62 108.413 114.003 -5.590 1 1 580 . 20 1 1 A 62 62 SER H H 62 7.144 7.950 -0.806 1 1 581 . 20 1 1 A 62 62 SER CA C 62 57.037 57.734 -0.697 1 1 582 . 20 1 1 A 62 62 SER HA H 62 4.596 4.804 -0.208 1 1 583 . 20 1 1 A 62 62 SER CB C 62 66.522 65.764 0.758 1 1 585 . 20 1 1 A 62 62 SER C C 62 172.446 173.596 -1.150 1 1 587 . 20 1 1 A 63 63 LYS N N 63 122.539 123.449 -0.910 1 1 588 . 20 1 1 A 63 63 LYS H H 63 8.620 8.511 0.109 1 1 589 . 20 1 1 A 63 63 LYS CA C 63 56.407 56.566 -0.159 1 1 590 . 20 1 1 A 63 63 LYS HA H 63 4.267 4.424 -0.157 1 1 591 . 20 1 1 A 63 63 LYS CB C 63 32.576 33.362 -0.786 1 1 596 . 20 1 1 A 63 63 LYS C C 63 176.658 175.965 0.693 1 1 601 . 20 1 1 A 64 64 VAL N N 64 120.278 120.113 0.165 1 1 602 . 20 1 1 A 64 64 VAL H H 64 8.554 8.828 -0.274 1 1 603 . 20 1 1 A 64 64 VAL CA C 64 60.425 60.485 -0.060 1 1 604 . 20 1 1 A 64 64 VAL HA H 64 4.460 4.892 -0.432 1 1 605 . 20 1 1 A 64 64 VAL CB C 64 32.938 32.540 0.398 1 1 615 . 20 1 1 A 64 64 VAL C C 64 176.629 175.176 1.453 1 1 616 . 20 1 1 A 65 65 LYS N N 65 121.529 124.979 -3.450 1 1 617 . 20 1 1 A 65 65 LYS H H 65 8.139 8.538 -0.399 1 1 618 . 20 1 1 A 65 65 LYS CA C 65 56.181 56.619 -0.438 1 1 619 . 20 1 1 A 65 65 LYS HA H 65 4.474 4.243 0.231 1 1 620 . 20 1 1 A 65 65 LYS CB C 65 32.960 32.753 0.207 1 1 627 . 20 1 1 A 65 65 LYS C C 65 176.309 176.595 -0.286 1 1 632 . 20 1 1 A 66 66 MET N N 66 125.382 120.936 4.446 1 1 633 . 20 1 1 A 66 66 MET H H 66 8.811 8.555 0.256 1 1 634 . 20 1 1 A 66 66 MET CA C 66 55.055 54.615 0.440 1 1 635 . 20 1 1 A 66 66 MET HA H 66 5.393 5.331 0.062 1 1 636 . 20 1 1 A 66 66 MET CB C 66 37.398 35.528 1.870 1 1 644 . 20 1 1 A 66 66 MET C C 66 174.026 175.756 -1.730 1 1 647 . 20 1 1 A 67 67 ASP N N 67 122.714 125.859 -3.145 1 1 648 . 20 1 1 A 67 67 ASP H H 67 8.995 8.997 -0.002 1 1 649 . 20 1 1 A 67 67 ASP CA C 67 53.231 57.262 -4.031 1 1 650 . 20 1 1 A 67 67 ASP HA H 67 4.854 4.208 0.646 1 1 651 . 20 1 1 A 67 67 ASP CB C 67 44.980 41.346 3.634 1 1 654 . 20 1 1 A 68 68 CYS H H 68 8.412 7.967 0.445 1 1 655 . 20 1 1 A 68 68 CYS CA C 68 56.390 60.602 -4.212 1 1 656 . 20 1 1 A 68 68 CYS HA H 68 5.288 4.275 1.013 1 1 657 . 20 1 1 A 68 68 CYS CB C 68 28.188 25.930 2.258 1 1 660 . 20 1 1 A 69 69 GLN N N 69 125.044 119.013 6.031 1 1 661 . 20 1 1 A 69 69 GLN H H 69 9.116 7.694 1.422 1 1 662 . 20 1 1 A 69 69 GLN CA C 69 56.403 55.645 0.758 1 1 663 . 20 1 1 A 69 69 GLN HA H 69 5.290 4.475 0.815 1 1 664 . 20 1 1 A 69 69 GLN CB C 69 32.962 29.747 3.215 1 1 671 . 20 1 1 A 70 70 GLU N N 70 125.781 126.844 -1.063 1 1 672 . 20 1 1 A 70 70 GLU H H 70 8.979 8.731 0.248 1 1 673 . 20 1 1 A 70 70 GLU CA C 70 56.418 55.732 0.686 1 1 674 . 20 1 1 A 70 70 GLU HA H 70 4.029 5.151 -1.122 1 1 675 . 20 1 1 A 70 70 GLU CB C 70 30.585 31.422 -0.837 1 1 681 . 20 1 1 A 71 71 THR N N 71 118.158 117.082 1.076 1 1 682 . 20 1 1 A 71 71 THR H H 71 8.455 8.802 -0.347 1 1 683 . 20 1 1 A 71 71 THR CA C 71 59.209 58.471 0.738 1 1 684 . 20 1 1 A 71 71 THR HA H 71 4.902 5.025 -0.123 1 1 685 . 20 1 1 A 71 71 THR CB C 71 68.926 69.813 -0.887 1 1 691 . 20 1 1 A 72 72 PRO CA C 72 65.290 64.511 0.779 1 1 692 . 20 1 1 A 72 72 PRO HA H 72 4.296 4.556 -0.260 1 1 693 . 20 1 1 A 72 72 PRO CB C 72 31.848 31.750 0.098 1 1 699 . 20 1 1 A 72 72 PRO C C 72 177.476 178.013 -0.537 1 1 703 . 20 1 1 A 73 73 GLU N N 73 112.293 118.161 -5.868 1 1 704 . 20 1 1 A 73 73 GLU H H 73 7.562 8.485 -0.923 1 1 705 . 20 1 1 A 73 73 GLU CA C 73 55.577 58.699 -3.122 1 1 706 . 20 1 1 A 73 73 GLU HA H 73 4.370 4.261 0.109 1 1 707 . 20 1 1 A 73 73 GLU CB C 73 30.787 30.441 0.346 1 1 711 . 20 1 1 A 73 73 GLU C C 73 174.438 177.297 -2.859 1 1 714 . 20 1 1 A 74 74 GLY N N 74 109.223 106.602 2.621 1 1 715 . 20 1 1 A 74 74 GLY H H 74 7.324 7.653 -0.329 1 1 716 . 20 1 1 A 74 74 GLY CA C 74 47.146 46.166 0.980 1 1 717 . 20 1 1 A 74 74 GLY HA3 H 74 3.551 4.264 -0.713 1 1 718 . 20 1 1 A 74 74 GLY C C 74 172.589 172.194 0.395 1 1 719 . 20 1 1 A 74 74 GLY HA2 H 74 4.949 4.242 0.707 1 1 720 . 20 1 1 A 75 75 TYR N N 75 123.117 119.174 3.943 1 1 721 . 20 1 1 A 75 75 TYR H H 75 8.883 8.098 0.785 1 1 722 . 20 1 1 A 75 75 TYR CA C 75 57.566 58.383 -0.817 1 1 723 . 20 1 1 A 75 75 TYR HA H 75 5.171 4.814 0.357 1 1 724 . 20 1 1 A 75 75 TYR CB C 75 44.111 41.349 2.762 1 1 734 . 20 1 1 A 75 75 TYR C C 75 173.925 173.539 0.386 1 1 736 . 20 1 1 A 76 76 LYS N N 76 124.633 129.277 -4.644 1 1 737 . 20 1 1 A 76 76 LYS H H 76 9.390 8.717 0.673 1 1 738 . 20 1 1 A 76 76 LYS CA C 76 55.055 55.595 -0.540 1 1 739 . 20 1 1 A 76 76 LYS HA H 76 4.594 4.328 0.266 1 1 740 . 20 1 1 A 76 76 LYS CB C 76 35.124 33.302 1.822 1 1 748 . 20 1 1 A 76 76 LYS C C 76 174.069 174.430 -0.361 1 1 753 . 20 1 1 A 77 77 VAL N N 77 126.947 124.833 2.114 1 1 754 . 20 1 1 A 77 77 VAL H H 77 8.607 7.454 1.153 1 1 755 . 20 1 1 A 77 77 VAL CA C 77 60.894 60.005 0.889 1 1 756 . 20 1 1 A 77 77 VAL HA H 77 4.280 4.331 -0.051 1 1 757 . 20 1 1 A 77 77 VAL CB C 77 32.115 34.034 -1.919 1 1 767 . 20 1 1 A 77 77 VAL C C 77 173.586 174.476 -0.890 1 1 768 . 20 1 1 A 78 78 MET N N 78 123.986 124.656 -0.670 1 1 769 . 20 1 1 A 78 78 MET H H 78 8.410 8.438 -0.028 1 1 770 . 20 1 1 A 78 78 MET CA C 78 53.236 54.506 -1.270 1 1 771 . 20 1 1 A 78 78 MET HA H 78 5.290 4.940 0.350 1 1 772 . 20 1 1 A 78 78 MET CB C 78 36.873 36.707 0.166 1 1 780 . 20 1 1 A 78 78 MET C C 78 174.665 174.333 0.332 1 1 783 . 20 1 1 A 79 79 TYR N N 79 117.488 119.896 -2.408 1 1 784 . 20 1 1 A 79 79 TYR H H 79 8.739 8.052 0.687 1 1 785 . 20 1 1 A 79 79 TYR CA C 79 56.011 56.454 -0.443 1 1 786 . 20 1 1 A 79 79 TYR HA H 79 5.654 5.360 0.294 1 1 787 . 20 1 1 A 79 79 TYR CB C 79 41.549 41.116 0.433 1 1 797 . 20 1 1 A 79 79 TYR C C 79 172.927 172.554 0.373 1 1 799 . 20 1 1 A 80 80 THR H H 80 8.383 8.701 -0.318 1 1 800 . 20 1 1 A 80 80 THR CA C 80 58.611 58.919 -0.308 1 1 801 . 20 1 1 A 80 80 THR HA H 80 4.978 4.732 0.246 1 1 802 . 20 1 1 A 80 80 THR CB C 80 70.258 71.159 -0.901 1 1 808 . 20 1 1 A 81 81 PRO CA C 81 61.531 62.092 -0.561 1 1 809 . 20 1 1 A 81 81 PRO HA H 81 4.532 4.572 -0.040 1 1 810 . 20 1 1 A 81 81 PRO CB C 81 32.774 29.760 3.014 1 1 819 . 20 1 1 A 82 82 MET N N 82 117.590 124.911 -7.321 1 1 820 . 20 1 1 A 82 82 MET H H 82 8.299 8.357 -0.058 1 1 821 . 20 1 1 A 82 82 MET CA C 82 53.882 58.160 -4.278 1 1 822 . 20 1 1 A 82 82 MET HA H 82 4.851 4.326 0.525 1 1 823 . 20 1 1 A 82 82 MET CB C 82 33.337 33.032 0.305 1 1 831 . 20 1 1 A 82 82 MET C C 82 174.339 175.613 -1.274 1 1 834 . 20 1 1 A 83 83 ALA N N 83 119.196 119.256 -0.060 1 1 835 . 20 1 1 A 83 83 ALA H H 83 7.076 7.785 -0.709 1 1 836 . 20 1 1 A 83 83 ALA CA C 83 49.425 49.750 -0.325 1 1 837 . 20 1 1 A 83 83 ALA HA H 83 4.791 4.756 0.035 1 1 838 . 20 1 1 A 83 83 ALA CB C 83 20.682 21.238 -0.556 1 1 842 . 20 1 1 A 83 83 ALA C C 83 174.364 174.748 -0.384 1 1 843 . 20 1 1 A 84 84 PRO CA C 84 62.540 63.352 -0.812 1 1 844 . 20 1 1 A 84 84 PRO HA H 84 4.244 4.506 -0.262 1 1 845 . 20 1 1 A 84 84 PRO CB C 84 32.615 33.351 -0.736 1 1 851 . 20 1 1 A 84 84 PRO C C 84 174.214 176.050 -1.836 1 1 855 . 20 1 1 A 85 85 GLY N N 85 105.436 107.996 -2.560 1 1 856 . 20 1 1 A 85 85 GLY H H 85 8.855 8.034 0.821 1 1 857 . 20 1 1 A 85 85 GLY CA C 85 44.156 44.505 -0.349 1 1 858 . 20 1 1 A 85 85 GLY HA3 H 85 3.761 4.259 -0.498 1 1 859 . 20 1 1 A 85 85 GLY C C 85 171.801 172.338 -0.537 1 1 860 . 20 1 1 A 85 85 GLY HA2 H 85 4.515 4.231 0.284 1 1 861 . 20 1 1 A 86 86 ASN N N 86 119.042 117.100 1.942 1 1 862 . 20 1 1 A 86 86 ASN H H 86 8.573 8.570 0.003 1 1 863 . 20 1 1 A 86 86 ASN CA C 86 52.499 51.860 0.639 1 1 864 . 20 1 1 A 86 86 ASN HA H 86 5.517 5.699 -0.182 1 1 865 . 20 1 1 A 86 86 ASN CB C 86 39.390 39.930 -0.540 1 1 870 . 20 1 1 A 86 86 ASN C C 86 174.453 173.837 0.616 1 1 872 . 20 1 1 A 87 87 TYR N N 87 122.992 123.303 -0.311 1 1 873 . 20 1 1 A 87 87 TYR H H 87 9.369 8.871 0.498 1 1 874 . 20 1 1 A 87 87 TYR CA C 87 56.366 56.688 -0.322 1 1 875 . 20 1 1 A 87 87 TYR HA H 87 5.140 5.582 -0.442 1 1 876 . 20 1 1 A 87 87 TYR CB C 87 40.267 41.818 -1.551 1 1 886 . 20 1 1 A 87 87 TYR C C 87 174.332 174.701 -0.369 1 1 888 . 20 1 1 A 88 88 LEU N N 88 124.720 121.744 2.976 1 1 889 . 20 1 1 A 88 88 LEU H H 88 9.306 9.187 0.119 1 1 890 . 20 1 1 A 88 88 LEU CA C 88 53.426 54.196 -0.770 1 1 891 . 20 1 1 A 88 88 LEU HA H 88 5.253 5.067 0.186 1 1 892 . 20 1 1 A 88 88 LEU CB C 88 44.487 45.896 -1.409 1 1 904 . 20 1 1 A 88 88 LEU C C 88 177.074 174.472 2.602 1 1 906 . 20 1 1 A 89 89 ILE N N 89 130.469 128.453 2.016 1 1 907 . 20 1 1 A 89 89 ILE H H 89 9.807 9.271 0.536 1 1 908 . 20 1 1 A 89 89 ILE CA C 89 60.792 60.211 0.581 1 1 909 . 20 1 1 A 89 89 ILE HA H 89 4.851 4.996 -0.145 1 1 910 . 20 1 1 A 89 89 ILE CB C 89 39.662 38.757 0.905 1 1 922 . 20 1 1 A 89 89 ILE C C 89 175.605 174.887 0.718 1 1 924 . 20 1 1 A 90 90 SER N N 90 123.845 125.376 -1.531 1 1 925 . 20 1 1 A 90 90 SER H H 90 9.540 9.090 0.450 1 1 926 . 20 1 1 A 90 90 SER CA C 90 58.036 57.787 0.249 1 1 927 . 20 1 1 A 90 90 SER HA H 90 5.199 5.174 0.025 1 1 928 . 20 1 1 A 90 90 SER CB C 90 64.133 64.510 -0.377 1 1 930 . 20 1 1 A 90 90 SER C C 90 173.566 173.709 -0.143 1 1 932 . 20 1 1 A 91 91 VAL N N 91 128.427 126.977 1.450 1 1 933 . 20 1 1 A 91 91 VAL H H 91 9.918 9.186 0.732 1 1 934 . 20 1 1 A 91 91 VAL CA C 91 61.447 61.398 0.049 1 1 935 . 20 1 1 A 91 91 VAL HA H 91 4.837 5.007 -0.170 1 1 936 . 20 1 1 A 91 91 VAL CB C 91 33.761 34.507 -0.746 1 1 946 . 20 1 1 A 91 91 VAL C C 91 173.296 174.935 -1.639 1 1 947 . 20 1 1 A 92 92 LYS N N 92 125.779 126.427 -0.648 1 1 948 . 20 1 1 A 92 92 LYS H H 92 8.892 8.734 0.158 1 1 949 . 20 1 1 A 92 92 LYS CA C 92 54.468 54.657 -0.189 1 1 950 . 20 1 1 A 92 92 LYS HA H 92 5.065 5.151 -0.086 1 1 951 . 20 1 1 A 92 92 LYS CB C 92 36.106 35.421 0.685 1 1 959 . 20 1 1 A 92 92 LYS C C 92 175.189 175.023 0.166 1 1 964 . 20 1 1 A 93 93 TYR N N 93 120.251 124.724 -4.473 1 1 965 . 20 1 1 A 93 93 TYR H H 93 8.061 8.854 -0.793 1 1 966 . 20 1 1 A 93 93 TYR CA C 93 56.884 57.337 -0.453 1 1 967 . 20 1 1 A 93 93 TYR HA H 93 5.522 4.998 0.524 1 1 968 . 20 1 1 A 93 93 TYR CB C 93 44.120 41.970 2.150 1 1 978 . 20 1 1 A 93 93 TYR C C 93 175.517 175.592 -0.075 1 1 980 . 20 1 1 A 94 94 GLY N N 94 114.148 113.595 0.553 1 1 981 . 20 1 1 A 94 94 GLY H H 94 8.274 8.432 -0.158 1 1 982 . 20 1 1 A 94 94 GLY CA C 94 45.959 46.544 -0.585 1 1 983 . 20 1 1 A 94 94 GLY HA3 H 94 3.705 3.628 0.077 1 1 984 . 20 1 1 A 94 94 GLY C C 94 173.595 174.014 -0.419 1 1 985 . 20 1 1 A 94 94 GLY HA2 H 94 3.877 3.565 0.312 1 1 986 . 20 1 1 A 95 95 GLY N N 95 107.010 107.041 -0.031 1 1 987 . 20 1 1 A 95 95 GLY H H 95 7.452 8.381 -0.929 1 1 988 . 20 1 1 A 95 95 GLY CA C 95 43.954 44.285 -0.331 1 1 989 . 20 1 1 A 95 95 GLY HA3 H 95 3.618 4.001 -0.383 1 1 990 . 20 1 1 A 95 95 GLY C C 95 172.825 174.083 -1.258 1 1 991 . 20 1 1 A 95 95 GLY HA2 H 95 4.507 3.993 0.514 1 1 992 . 20 1 1 A 96 96 PRO CA C 96 63.221 64.260 -1.039 1 1 993 . 20 1 1 A 96 96 PRO HA H 96 4.413 4.512 -0.099 1 1 994 . 20 1 1 A 96 96 PRO CB C 96 30.955 31.973 -1.018 1 1 1000 . 20 1 1 A 96 96 PRO C C 96 175.901 176.352 -0.451 1 1 1004 . 20 1 1 A 97 97 ASN N N 97 119.942 117.826 2.116 1 1 1005 . 20 1 1 A 97 97 ASN H H 97 8.172 8.019 0.153 1 1 1006 . 20 1 1 A 97 97 ASN CA C 97 52.914 53.947 -1.033 1 1 1007 . 20 1 1 A 97 97 ASN HA H 97 4.864 4.734 0.130 1 1 1008 . 20 1 1 A 97 97 ASN CB C 97 39.806 38.711 1.095 1 1 1013 . 20 1 1 A 97 97 ASN C C 97 174.285 175.274 -0.989 1 1 1015 . 20 1 1 A 98 98 HIS N N 98 121.803 120.082 1.721 1 1 1016 . 20 1 1 A 98 98 HIS H H 98 8.456 8.497 -0.041 1 1 1017 . 20 1 1 A 98 98 HIS CA C 98 58.023 53.895 4.128 1 1 1018 . 20 1 1 A 98 98 HIS HA H 98 4.475 5.250 -0.775 1 1 1019 . 20 1 1 A 98 98 HIS CB C 98 33.382 32.172 1.210 1 1 1025 . 20 1 1 A 98 98 HIS C C 98 177.938 175.356 2.582 1 1 1027 . 20 1 1 A 99 99 ILE N N 99 115.599 115.773 -0.174 1 1 1028 . 20 1 1 A 99 99 ILE H H 99 8.237 7.923 0.314 1 1 1029 . 20 1 1 A 99 99 ILE CA C 99 60.895 59.404 1.491 1 1 1030 . 20 1 1 A 99 99 ILE HA H 99 4.545 4.421 0.124 1 1 1031 . 20 1 1 A 99 99 ILE CB C 99 38.675 40.446 -1.771 1 1 1043 . 20 1 1 A 99 99 ILE C C 99 176.165 176.059 0.106 1 1 1045 . 20 1 1 A 100 100 VAL H H 100 8.389 8.459 -0.070 1 1 1046 . 20 1 1 A 100 100 VAL CA C 100 65.835 65.370 0.465 1 1 1047 . 20 1 1 A 100 100 VAL HA H 100 3.673 3.632 0.041 1 1 1048 . 20 1 1 A 100 100 VAL CB C 100 31.169 31.460 -0.291 1 1 1058 . 20 1 1 A 101 101 GLY N N 101 116.014 115.610 0.404 1 1 1059 . 20 1 1 A 101 101 GLY H H 101 8.297 8.918 -0.621 1 1 1060 . 20 1 1 A 101 101 GLY CA C 101 44.626 45.176 -0.550 1 1 1061 . 20 1 1 A 101 101 GLY HA3 H 101 3.227 4.155 -0.928 1 1 1062 . 20 1 1 A 101 101 GLY C C 101 171.863 173.882 -2.019 1 1 1063 . 20 1 1 A 101 101 GLY HA2 H 101 4.207 4.016 0.191 1 1 1064 . 20 1 1 A 102 102 SER N N 102 111.977 115.120 -3.143 1 1 1065 . 20 1 1 A 102 102 SER H H 102 7.304 7.800 -0.496 1 1 1066 . 20 1 1 A 102 102 SER CA C 102 54.570 56.336 -1.766 1 1 1067 . 20 1 1 A 102 102 SER HA H 102 3.915 3.283 0.632 1 1 1068 . 20 1 1 A 102 102 SER CB C 102 62.569 63.779 -1.210 1 1 1071 . 20 1 1 A 103 103 PRO CA C 103 62.215 62.058 0.157 1 1 1072 . 20 1 1 A 103 103 PRO HA H 103 5.475 4.468 1.007 1 1 1073 . 20 1 1 A 103 103 PRO CB C 103 33.552 32.817 0.735 1 1 1079 . 20 1 1 A 103 103 PRO C C 103 175.646 174.800 0.846 1 1 1083 . 20 1 1 A 104 104 PHE N N 104 123.291 119.564 3.727 1 1 1084 . 20 1 1 A 104 104 PHE H H 104 9.465 8.425 1.040 1 1 1085 . 20 1 1 A 104 104 PHE CA C 104 57.015 56.538 0.477 1 1 1086 . 20 1 1 A 104 104 PHE HA H 104 4.531 5.003 -0.472 1 1 1087 . 20 1 1 A 104 104 PHE CB C 104 40.607 41.055 -0.448 1 1 1099 . 20 1 1 A 104 104 PHE C C 104 175.305 174.739 0.566 1 1 1101 . 20 1 1 A 105 105 LYS N N 105 123.989 124.836 -0.847 1 1 1102 . 20 1 1 A 105 105 LYS H H 105 8.712 8.993 -0.281 1 1 1103 . 20 1 1 A 105 105 LYS CA C 105 55.868 55.708 0.160 1 1 1104 . 20 1 1 A 105 105 LYS HA H 105 4.913 4.799 0.114 1 1 1105 . 20 1 1 A 105 105 LYS CB C 105 32.762 32.663 0.099 1 1 1113 . 20 1 1 A 105 105 LYS C C 105 174.065 175.228 -1.163 1 1 1118 . 20 1 1 A 106 106 ALA N N 106 129.654 128.310 1.344 1 1 1119 . 20 1 1 A 106 106 ALA H H 106 8.964 8.539 0.425 1 1 1120 . 20 1 1 A 106 106 ALA CA C 106 50.325 50.562 -0.237 1 1 1121 . 20 1 1 A 106 106 ALA HA H 106 4.497 5.301 -0.804 1 1 1122 . 20 1 1 A 106 106 ALA CB C 106 20.496 21.509 -1.013 1 1 1126 . 20 1 1 A 106 106 ALA C C 106 176.111 175.772 0.339 1 1 1127 . 20 1 1 A 107 107 LYS N N 107 124.155 122.914 1.241 1 1 1128 . 20 1 1 A 107 107 LYS H H 107 7.955 8.742 -0.787 1 1 1129 . 20 1 1 A 107 107 LYS CA C 107 55.904 54.817 1.087 1 1 1130 . 20 1 1 A 107 107 LYS HA H 107 4.950 4.971 -0.021 1 1 1131 . 20 1 1 A 107 107 LYS CB C 107 33.755 34.729 -0.974 1 1 1139 . 20 1 1 A 107 107 LYS C C 107 175.350 174.879 0.471 1 1 1144 . 20 1 1 A 108 108 VAL N N 108 128.726 128.070 0.656 1 1 1145 . 20 1 1 A 108 108 VAL H H 108 9.373 9.191 0.182 1 1 1146 . 20 1 1 A 108 108 VAL CA C 108 60.804 61.633 -0.829 1 1 1147 . 20 1 1 A 108 108 VAL HA H 108 4.851 4.873 -0.022 1 1 1148 . 20 1 1 A 108 108 VAL CB C 108 33.175 32.505 0.670 1 1 1158 . 20 1 1 A 108 108 VAL C C 108 177.017 175.411 1.606 1 1 1159 . 20 1 1 A 109 109 THR N N 109 121.067 116.866 4.201 1 1 1160 . 20 1 1 A 109 109 THR H H 109 8.527 8.510 0.017 1 1 1161 . 20 1 1 A 109 109 THR CA C 109 60.138 59.761 0.377 1 1 1162 . 20 1 1 A 109 109 THR HA H 109 4.864 5.037 -0.173 1 1 1163 . 20 1 1 A 109 109 THR CB C 109 70.960 71.601 -0.641 1 1 1169 . 20 1 1 A 109 109 THR C C 109 173.130 173.319 -0.189 1 1 1170 . 20 1 1 A 110 110 GLY N N 110 106.893 108.134 -1.241 1 1 1171 . 20 1 1 A 110 110 GLY H H 110 8.404 8.300 0.104 1 1 1172 . 20 1 1 A 110 110 GLY CA C 110 43.888 45.070 -1.182 1 1 1173 . 20 1 1 A 110 110 GLY HA3 H 110 3.851 4.231 -0.380 1 1 1174 . 20 1 1 A 110 110 GLY C C 110 173.870 172.050 1.820 1 1 1175 . 20 1 1 A 110 110 GLY HA2 H 110 4.773 4.231 0.542 1 1 1176 . 20 1 1 A 111 111 GLN N N 111 116.999 121.892 -4.893 1 1 1177 . 20 1 1 A 111 111 GLN H H 111 8.234 8.301 -0.067 1 1 1178 . 20 1 1 A 111 111 GLN CA C 111 55.230 54.405 0.825 1 1 1179 . 20 1 1 A 111 111 GLN HA H 111 4.269 4.907 -0.638 1 1 1180 . 20 1 1 A 111 111 GLN CB C 111 30.118 31.277 -1.159 1 1 1187 . 20 1 1 A 111 111 GLN C C 111 176.550 174.943 1.607 1 1 1190 . 20 1 1 A 112 112 ARG N N 112 122.131 125.593 -3.462 1 1 1191 . 20 1 1 A 112 112 ARG H H 112 8.832 8.580 0.252 1 1 1192 . 20 1 1 A 112 112 ARG CA C 112 57.384 56.848 0.536 1 1 1193 . 20 1 1 A 112 112 ARG HA H 112 4.300 4.306 -0.006 1 1 1194 . 20 1 1 A 112 112 ARG CB C 112 30.059 30.840 -0.781 1 1 1200 . 20 1 1 A 112 112 ARG C C 112 175.836 175.936 -0.100 1 1 1204 . 20 1 1 A 113 113 LEU N N 113 126.764 124.977 1.787 1 1 1205 . 20 1 1 A 113 113 LEU H H 113 8.424 8.512 -0.088 1 1 1206 . 20 1 1 A 113 113 LEU CA C 113 54.919 53.402 1.517 1 1 1207 . 20 1 1 A 113 113 LEU HA H 113 4.517 5.131 -0.614 1 1 1208 . 20 1 1 A 113 113 LEU CB C 113 42.706 43.799 -1.093 1 1 1220 . 20 1 1 A 113 113 LEU C C 113 176.521 175.196 1.325 1 1 1222 . 20 1 1 A 116 116 PRO CA C 116 63.729 62.280 1.449 1 1 1223 . 20 1 1 A 116 116 PRO HA H 116 4.436 4.531 -0.095 1 1 1224 . 20 1 1 A 116 116 PRO CB C 116 32.182 32.854 -0.672 1 1 1233 . 20 1 1 A 117 117 GLY N N 117 110.092 107.991 2.101 1 1 1234 . 20 1 1 A 117 117 GLY H H 117 8.493 8.407 0.086 1 1 1235 . 20 1 1 A 118 118 SER CA C 118 58.420 56.862 1.558 1 1 1236 . 20 1 1 A 118 118 SER HA H 118 4.454 5.034 -0.580 1 1 1237 . 20 1 1 A 118 118 SER CB C 118 64.014 64.220 -0.206 1 1 1239 . 20 1 1 A 118 118 SER C C 118 174.495 172.948 1.547 1 1 1241 . 20 1 1 A 119 119 ALA N N 119 125.244 131.285 -6.041 1 1 1242 . 20 1 1 A 119 119 ALA H H 119 8.365 8.783 -0.418 1 1 1243 . 20 1 1 A 119 119 ALA CA C 119 52.697 50.556 2.141 1 1 1244 . 20 1 1 A 119 119 ALA HA H 119 4.333 4.864 -0.531 1 1 1245 . 20 1 1 A 119 119 ALA CB C 119 19.378 19.927 -0.549 1 1 1249 . 20 1 1 A 119 119 ALA C C 119 177.362 177.118 0.244 1 1 1250 . 20 1 1 A 120 120 ASN N N 120 117.122 121.920 -4.798 1 1 1251 . 20 1 1 A 120 120 ASN H H 120 8.311 8.671 -0.360 1 1 1252 . 20 1 1 A 120 120 ASN CA C 120 53.198 53.856 -0.658 1 1 1253 . 20 1 1 A 120 120 ASN HA H 120 4.659 4.660 -0.001 1 1 1254 . 20 1 1 A 120 120 ASN CB C 120 38.852 38.800 0.052 1 1 1259 . 20 1 1 A 120 120 ASN C C 120 175.112 174.827 0.285 1 1 1261 . 20 1 1 A 122 122 THR CA C 122 61.947 63.234 -1.287 1 1 1262 . 20 1 1 A 122 122 THR HA H 122 4.197 4.407 -0.210 1 1 1263 . 20 1 1 A 122 122 THR CB C 122 69.949 69.640 0.309 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 89 1.235 1 2 1 1 1 "RMS(OBS, PRED)" CA 109 1.193 1 3 1 1 1 "RMS(OBS, PRED)" CB 93 1.358 1 4 1 1 1 "RMS(OBS, PRED)" H 95 0.543 1 5 1 1 1 "RMS(OBS, PRED)" HA 127 0.363 1 6 1 1 1 "RMS(OBS, PRED)" N 91 2.911 1 7 1 2 1 "RMS(OBS, PRED)" C 89 1.268 1 8 1 2 1 "RMS(OBS, PRED)" CA 109 1.193 1 9 1 2 1 "RMS(OBS, PRED)" CB 93 1.419 1 10 1 2 1 "RMS(OBS, PRED)" H 95 0.536 1 11 1 2 1 "RMS(OBS, PRED)" HA 127 0.404 1 12 1 2 1 "RMS(OBS, PRED)" N 91 2.600 1 13 1 3 1 "RMS(OBS, PRED)" C 89 1.246 1 14 1 3 1 "RMS(OBS, PRED)" CA 109 1.197 1 15 1 3 1 "RMS(OBS, PRED)" CB 93 1.255 1 16 1 3 1 "RMS(OBS, PRED)" H 95 0.477 1 17 1 3 1 "RMS(OBS, PRED)" HA 127 0.386 1 18 1 3 1 "RMS(OBS, PRED)" N 91 2.763 1 19 1 4 1 "RMS(OBS, PRED)" C 89 1.311 1 20 1 4 1 "RMS(OBS, PRED)" CA 109 1.245 1 21 1 4 1 "RMS(OBS, PRED)" CB 93 1.439 1 22 1 4 1 "RMS(OBS, PRED)" H 95 0.538 1 23 1 4 1 "RMS(OBS, PRED)" HA 127 0.387 1 24 1 4 1 "RMS(OBS, PRED)" N 91 2.749 1 25 1 5 1 "RMS(OBS, PRED)" C 89 1.286 1 26 1 5 1 "RMS(OBS, PRED)" CA 109 1.266 1 27 1 5 1 "RMS(OBS, PRED)" CB 93 1.440 1 28 1 5 1 "RMS(OBS, PRED)" H 95 0.546 1 29 1 5 1 "RMS(OBS, PRED)" HA 127 0.415 1 30 1 5 1 "RMS(OBS, PRED)" N 91 2.673 1 31 1 6 1 "RMS(OBS, PRED)" C 89 1.317 1 32 1 6 1 "RMS(OBS, PRED)" CA 109 1.236 1 33 1 6 1 "RMS(OBS, PRED)" CB 93 1.433 1 34 1 6 1 "RMS(OBS, PRED)" H 95 0.551 1 35 1 6 1 "RMS(OBS, PRED)" HA 127 0.368 1 36 1 6 1 "RMS(OBS, PRED)" N 91 2.951 1 37 1 7 1 "RMS(OBS, PRED)" C 89 1.232 1 38 1 7 1 "RMS(OBS, PRED)" CA 109 1.203 1 39 1 7 1 "RMS(OBS, PRED)" CB 93 1.334 1 40 1 7 1 "RMS(OBS, PRED)" H 95 0.503 1 41 1 7 1 "RMS(OBS, PRED)" HA 127 0.383 1 42 1 7 1 "RMS(OBS, PRED)" N 91 2.765 1 43 1 8 1 "RMS(OBS, PRED)" C 89 1.259 1 44 1 8 1 "RMS(OBS, PRED)" CA 109 1.224 1 45 1 8 1 "RMS(OBS, PRED)" CB 93 1.297 1 46 1 8 1 "RMS(OBS, PRED)" H 95 0.528 1 47 1 8 1 "RMS(OBS, PRED)" HA 127 0.401 1 48 1 8 1 "RMS(OBS, PRED)" N 91 2.707 1 49 1 9 1 "RMS(OBS, PRED)" C 89 1.218 1 50 1 9 1 "RMS(OBS, PRED)" CA 109 1.183 1 51 1 9 1 "RMS(OBS, PRED)" CB 93 1.443 1 52 1 9 1 "RMS(OBS, PRED)" H 95 0.606 1 53 1 9 1 "RMS(OBS, PRED)" HA 127 0.404 1 54 1 9 1 "RMS(OBS, PRED)" N 91 3.143 1 55 1 10 1 "RMS(OBS, PRED)" C 89 1.285 1 56 1 10 1 "RMS(OBS, PRED)" CA 109 1.219 1 57 1 10 1 "RMS(OBS, PRED)" CB 93 1.346 1 58 1 10 1 "RMS(OBS, PRED)" H 95 0.528 1 59 1 10 1 "RMS(OBS, PRED)" HA 127 0.398 1 60 1 10 1 "RMS(OBS, PRED)" N 91 2.830 1 61 1 11 1 "RMS(OBS, PRED)" C 89 1.206 1 62 1 11 1 "RMS(OBS, PRED)" CA 109 1.192 1 63 1 11 1 "RMS(OBS, PRED)" CB 93 1.449 1 64 1 11 1 "RMS(OBS, PRED)" H 95 0.517 1 65 1 11 1 "RMS(OBS, PRED)" HA 127 0.407 1 66 1 11 1 "RMS(OBS, PRED)" N 91 2.701 1 67 1 12 1 "RMS(OBS, PRED)" C 89 1.206 1 68 1 12 1 "RMS(OBS, PRED)" CA 109 1.235 1 69 1 12 1 "RMS(OBS, PRED)" CB 93 1.382 1 70 1 12 1 "RMS(OBS, PRED)" H 95 0.571 1 71 1 12 1 "RMS(OBS, PRED)" HA 127 0.394 1 72 1 12 1 "RMS(OBS, PRED)" N 91 3.003 1 73 1 13 1 "RMS(OBS, PRED)" C 89 1.243 1 74 1 13 1 "RMS(OBS, PRED)" CA 109 1.256 1 75 1 13 1 "RMS(OBS, PRED)" CB 93 1.391 1 76 1 13 1 "RMS(OBS, PRED)" H 95 0.558 1 77 1 13 1 "RMS(OBS, PRED)" HA 127 0.381 1 78 1 13 1 "RMS(OBS, PRED)" N 91 2.715 1 79 1 14 1 "RMS(OBS, PRED)" C 89 1.293 1 80 1 14 1 "RMS(OBS, PRED)" CA 109 1.226 1 81 1 14 1 "RMS(OBS, PRED)" CB 93 1.313 1 82 1 14 1 "RMS(OBS, PRED)" H 95 0.556 1 83 1 14 1 "RMS(OBS, PRED)" HA 127 0.408 1 84 1 14 1 "RMS(OBS, PRED)" N 91 2.823 1 85 1 15 1 "RMS(OBS, PRED)" C 89 1.190 1 86 1 15 1 "RMS(OBS, PRED)" CA 109 1.252 1 87 1 15 1 "RMS(OBS, PRED)" CB 93 1.407 1 88 1 15 1 "RMS(OBS, PRED)" H 95 0.546 1 89 1 15 1 "RMS(OBS, PRED)" HA 127 0.374 1 90 1 15 1 "RMS(OBS, PRED)" N 91 2.627 1 91 1 16 1 "RMS(OBS, PRED)" C 89 1.280 1 92 1 16 1 "RMS(OBS, PRED)" CA 109 1.183 1 93 1 16 1 "RMS(OBS, PRED)" CB 93 1.292 1 94 1 16 1 "RMS(OBS, PRED)" H 95 0.581 1 95 1 16 1 "RMS(OBS, PRED)" HA 127 0.405 1 96 1 16 1 "RMS(OBS, PRED)" N 91 3.184 1 97 1 17 1 "RMS(OBS, PRED)" C 89 1.308 1 98 1 17 1 "RMS(OBS, PRED)" CA 109 1.289 1 99 1 17 1 "RMS(OBS, PRED)" CB 93 1.325 1 100 1 17 1 "RMS(OBS, PRED)" H 95 0.520 1 101 1 17 1 "RMS(OBS, PRED)" HA 127 0.390 1 102 1 17 1 "RMS(OBS, PRED)" N 91 2.895 1 103 1 18 1 "RMS(OBS, PRED)" C 89 1.246 1 104 1 18 1 "RMS(OBS, PRED)" CA 109 1.165 1 105 1 18 1 "RMS(OBS, PRED)" CB 93 1.388 1 106 1 18 1 "RMS(OBS, PRED)" H 95 0.543 1 107 1 18 1 "RMS(OBS, PRED)" HA 127 0.367 1 108 1 18 1 "RMS(OBS, PRED)" N 91 2.871 1 109 1 19 1 "RMS(OBS, PRED)" C 89 1.265 1 110 1 19 1 "RMS(OBS, PRED)" CA 109 1.222 1 111 1 19 1 "RMS(OBS, PRED)" CB 93 1.577 1 112 1 19 1 "RMS(OBS, PRED)" H 95 0.538 1 113 1 19 1 "RMS(OBS, PRED)" HA 127 0.392 1 114 1 19 1 "RMS(OBS, PRED)" N 91 2.679 1 115 1 20 1 "RMS(OBS, PRED)" C 89 1.285 1 116 1 20 1 "RMS(OBS, PRED)" CA 109 1.388 1 117 1 20 1 "RMS(OBS, PRED)" CB 93 1.285 1 118 1 20 1 "RMS(OBS, PRED)" H 95 0.504 1 119 1 20 1 "RMS(OBS, PRED)" HA 127 0.408 1 120 1 20 1 "RMS(OBS, PRED)" N 91 2.909 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 9 9 LYS N N 9 120.806 122.270 -1.464 2 1 2 . 1 1 A 9 9 LYS H H 9 8.548 8.388 0.160 2 1 3 . 1 1 A 9 9 LYS CA C 9 56.358 55.774 0.584 2 1 4 . 1 1 A 9 9 LYS HA H 9 4.261 4.569 -0.308 2 1 5 . 1 1 A 9 9 LYS CB C 9 32.673 33.782 -1.109 2 1 17 . 1 1 A 10 10 VAL HA H 10 4.307 4.679 -0.372 2 1 18 . 1 1 A 10 10 VAL CB C 10 34.845 34.580 0.265 2 1 24 . 1 1 A 11 11 ARG N N 11 125.757 126.517 -0.760 2 1 25 . 1 1 A 11 11 ARG H H 11 8.546 8.679 -0.133 2 1 26 . 1 1 A 11 11 ARG CA C 11 55.966 55.568 0.398 2 1 27 . 1 1 A 11 11 ARG HA H 11 4.463 4.693 -0.230 2 1 28 . 1 1 A 11 11 ARG CB C 11 30.834 31.513 -0.679 2 1 37 . 1 1 A 12 12 VAL CA C 12 62.370 61.519 0.851 2 1 38 . 1 1 A 12 12 VAL HA H 12 4.205 4.418 -0.213 2 1 39 . 1 1 A 12 12 VAL CB C 12 32.571 33.489 -0.918 2 1 48 . 1 1 A 13 13 GLY N N 13 113.294 113.623 -0.329 2 1 49 . 1 1 A 13 13 GLY H H 13 8.608 8.509 0.099 2 1 50 . 1 1 A 13 13 GLY CA C 13 44.973 45.057 -0.084 2 1 51 . 1 1 A 13 13 GLY HA3 H 13 4.024 4.102 -0.078 2 1 52 . 1 1 A 13 13 GLY HA2 H 13 3.891 4.101 -0.210 2 1 53 . 1 1 A 14 14 GLU N N 14 120.644 121.464 -0.820 2 1 54 . 1 1 A 14 14 GLU H H 14 8.139 8.411 -0.272 2 1 55 . 1 1 A 14 14 GLU CA C 14 54.101 54.271 -0.170 2 1 56 . 1 1 A 14 14 GLU HA H 14 4.626 4.656 -0.030 2 1 57 . 1 1 A 14 14 GLU CB C 14 30.026 29.987 0.039 2 1 63 . 1 1 A 15 15 PRO CA C 15 63.731 63.550 0.181 2 1 64 . 1 1 A 15 15 PRO HA H 15 4.319 4.523 -0.204 2 1 65 . 1 1 A 15 15 PRO CB C 15 31.974 32.098 -0.124 2 1 71 . 1 1 A 15 15 PRO C C 15 177.450 177.044 0.406 2 1 75 . 1 1 A 16 16 GLY N N 16 109.768 108.171 1.597 2 1 76 . 1 1 A 16 16 GLY H H 16 8.577 8.219 0.358 2 1 77 . 1 1 A 16 16 GLY CA C 16 45.424 45.618 -0.194 2 1 78 . 1 1 A 16 16 GLY HA3 H 16 3.804 4.014 -0.210 2 1 79 . 1 1 A 16 16 GLY C C 16 174.160 173.390 0.770 2 1 80 . 1 1 A 16 16 GLY HA2 H 16 4.086 4.012 0.074 2 1 81 . 1 1 A 17 17 GLN N N 17 119.726 119.481 0.245 2 1 82 . 1 1 A 17 17 GLN H H 17 7.868 8.291 -0.423 2 1 83 . 1 1 A 17 17 GLN CA C 17 55.403 55.006 0.397 2 1 84 . 1 1 A 17 17 GLN HA H 17 4.389 4.641 -0.252 2 1 85 . 1 1 A 17 17 GLN CB C 17 29.894 30.266 -0.372 2 1 92 . 1 1 A 17 17 GLN C C 17 175.290 175.056 0.234 2 1 95 . 1 1 A 18 18 ALA N N 18 125.593 125.229 0.364 2 1 96 . 1 1 A 18 18 ALA H H 18 8.469 8.547 -0.078 2 1 97 . 1 1 A 18 18 ALA CA C 18 52.389 51.794 0.596 2 1 98 . 1 1 A 18 18 ALA HA H 18 4.448 4.595 -0.147 2 1 99 . 1 1 A 18 18 ALA CB C 18 19.959 20.299 -0.340 2 1 103 . 1 1 A 18 18 ALA C C 18 177.464 177.228 0.236 2 1 104 . 1 1 A 19 19 GLY N N 19 109.162 109.013 0.149 2 1 105 . 1 1 A 19 19 GLY H H 19 8.294 8.558 -0.264 2 1 106 . 1 1 A 19 19 GLY CA C 19 45.270 45.633 -0.363 2 1 107 . 1 1 A 19 19 GLY HA3 H 19 3.853 4.233 -0.380 2 1 108 . 1 1 A 19 19 GLY C C 19 173.012 173.149 -0.137 2 1 109 . 1 1 A 19 19 GLY HA2 H 19 4.207 4.169 0.038 2 1 110 . 1 1 A 20 20 ASN N N 20 118.861 121.672 -2.811 2 1 111 . 1 1 A 20 20 ASN H H 20 8.479 8.518 -0.039 2 1 112 . 1 1 A 20 20 ASN CA C 20 50.128 49.682 0.446 2 1 113 . 1 1 A 20 20 ASN HA H 20 5.236 5.228 0.008 2 1 114 . 1 1 A 20 20 ASN CB C 20 39.697 40.433 -0.736 2 1 119 . 1 1 A 20 20 ASN C C 20 174.482 174.814 -0.332 2 1 121 . 1 1 A 21 21 PRO CA C 21 64.588 65.133 -0.546 2 1 122 . 1 1 A 21 21 PRO HA H 21 4.312 4.336 -0.024 2 1 123 . 1 1 A 21 21 PRO CB C 21 31.950 32.006 -0.056 2 1 129 . 1 1 A 21 21 PRO C C 21 177.141 178.185 -1.044 2 1 133 . 1 1 A 22 22 ALA N N 22 118.898 118.900 -0.002 2 1 134 . 1 1 A 22 22 ALA H H 22 7.918 8.265 -0.347 2 1 135 . 1 1 A 22 22 ALA CA C 22 53.499 55.325 -1.826 2 1 136 . 1 1 A 22 22 ALA HA H 22 4.386 4.035 0.351 2 1 137 . 1 1 A 22 22 ALA CB C 22 18.288 18.479 -0.191 2 1 141 . 1 1 A 22 22 ALA C C 22 178.115 180.351 -2.236 2 1 142 . 1 1 A 23 23 LEU N N 23 116.219 117.402 -1.183 2 1 143 . 1 1 A 23 23 LEU H H 23 7.696 8.014 -0.318 2 1 144 . 1 1 A 23 23 LEU CA C 23 53.851 57.848 -3.997 2 1 145 . 1 1 A 23 23 LEU HA H 23 4.475 3.989 0.486 2 1 146 . 1 1 A 23 23 LEU CB C 23 41.958 41.876 0.082 2 1 158 . 1 1 A 23 23 LEU C C 23 176.653 177.908 -1.255 2 1 160 . 1 1 A 24 24 VAL N N 24 122.233 119.612 2.621 2 1 161 . 1 1 A 24 24 VAL H H 24 7.207 7.454 -0.247 2 1 162 . 1 1 A 24 24 VAL CA C 24 62.768 63.395 -0.627 2 1 163 . 1 1 A 24 24 VAL HA H 24 4.081 4.026 0.055 2 1 164 . 1 1 A 24 24 VAL CB C 24 32.408 31.591 0.817 2 1 174 . 1 1 A 24 24 VAL C C 24 174.702 175.846 -1.144 2 1 175 . 1 1 A 25 25 SER N N 25 120.181 122.374 -2.193 2 1 176 . 1 1 A 25 25 SER H H 25 8.109 8.707 -0.598 2 1 177 . 1 1 A 25 25 SER CA C 25 56.489 57.081 -0.592 2 1 178 . 1 1 A 25 25 SER HA H 25 5.159 5.347 -0.188 2 1 179 . 1 1 A 25 25 SER CB C 25 66.443 66.644 -0.201 2 1 181 . 1 1 A 25 25 SER C C 25 172.102 172.799 -0.697 2 1 183 . 1 1 A 26 26 ALA N N 26 124.850 124.413 0.437 2 1 184 . 1 1 A 26 26 ALA H H 26 8.839 8.899 -0.060 2 1 185 . 1 1 A 26 26 ALA CA C 26 50.395 50.965 -0.570 2 1 186 . 1 1 A 26 26 ALA HA H 26 5.796 5.259 0.537 2 1 187 . 1 1 A 26 26 ALA CB C 26 22.868 22.589 0.279 2 1 191 . 1 1 A 26 26 ALA C C 26 175.694 175.447 0.247 2 1 192 . 1 1 A 27 27 TYR N N 27 117.541 117.636 -0.095 2 1 193 . 1 1 A 27 27 TYR H H 27 8.831 8.542 0.289 2 1 194 . 1 1 A 27 27 TYR CA C 27 56.610 55.885 0.725 2 1 195 . 1 1 A 27 27 TYR HA H 27 4.851 5.299 -0.448 2 1 196 . 1 1 A 27 27 TYR CB C 27 39.737 41.626 -1.889 2 1 206 . 1 1 A 27 27 TYR C C 27 173.299 173.937 -0.638 2 1 208 . 1 1 A 28 28 GLY N N 28 108.355 106.533 1.822 2 1 209 . 1 1 A 28 28 GLY H H 28 8.788 8.509 0.279 2 1 210 . 1 1 A 28 28 GLY CA C 28 44.056 45.619 -1.563 2 1 211 . 1 1 A 28 28 GLY HA3 H 28 4.304 4.368 -0.064 2 1 212 . 1 1 A 28 28 GLY C C 28 176.208 173.948 2.260 2 1 213 . 1 1 A 28 28 GLY HA2 H 28 5.047 4.307 0.740 2 1 214 . 1 1 A 29 29 THR N N 29 115.659 114.562 1.097 2 1 215 . 1 1 A 29 29 THR H H 29 9.027 8.123 0.904 2 1 216 . 1 1 A 29 29 THR CA C 29 65.419 63.888 1.531 2 1 217 . 1 1 A 29 29 THR HA H 29 4.171 4.403 -0.232 2 1 218 . 1 1 A 29 29 THR CB C 29 68.659 69.635 -0.976 2 1 224 . 1 1 A 29 29 THR C C 29 178.141 176.532 1.609 2 1 225 . 1 1 A 30 30 GLY N N 30 107.400 108.664 -1.264 2 1 226 . 1 1 A 30 30 GLY H H 30 8.747 8.438 0.309 2 1 227 . 1 1 A 30 30 GLY CA C 30 46.719 46.673 0.046 2 1 228 . 1 1 A 30 30 GLY HA3 H 30 3.556 3.830 -0.274 2 1 229 . 1 1 A 30 30 GLY C C 30 173.896 175.365 -1.469 2 1 230 . 1 1 A 30 30 GLY HA2 H 30 4.483 3.743 0.740 2 1 231 . 1 1 A 31 31 LEU N N 31 118.075 122.026 -3.951 2 1 232 . 1 1 A 31 31 LEU H H 31 7.389 7.986 -0.597 2 1 233 . 1 1 A 31 31 LEU CA C 31 55.799 56.896 -1.097 2 1 234 . 1 1 A 31 31 LEU HA H 31 3.778 4.075 -0.297 2 1 235 . 1 1 A 31 31 LEU CB C 31 41.564 41.585 -0.021 2 1 247 . 1 1 A 31 31 LEU C C 31 176.045 178.843 -2.798 2 1 249 . 1 1 A 32 32 GLU N N 32 112.872 117.072 -4.200 2 1 250 . 1 1 A 32 32 GLU H H 32 7.509 8.068 -0.559 2 1 251 . 1 1 A 32 32 GLU CA C 32 56.330 58.156 -1.826 2 1 252 . 1 1 A 32 32 GLU HA H 32 4.717 4.106 0.611 2 1 253 . 1 1 A 32 32 GLU CB C 32 31.924 29.852 2.072 2 1 257 . 1 1 A 32 32 GLU C C 32 177.958 176.607 1.351 2 1 260 . 1 1 A 33 33 GLY N N 33 107.880 105.610 2.270 2 1 261 . 1 1 A 33 33 GLY H H 33 7.822 7.242 0.580 2 1 262 . 1 1 A 33 33 GLY CA C 33 45.568 45.539 0.029 2 1 263 . 1 1 A 33 33 GLY HA3 H 33 4.125 4.096 0.029 2 1 264 . 1 1 A 33 33 GLY C C 33 172.046 171.955 0.091 2 1 265 . 1 1 A 33 33 GLY HA2 H 33 4.661 4.085 0.576 2 1 266 . 1 1 A 34 34 GLY N N 34 105.841 108.293 -2.452 2 1 267 . 1 1 A 34 34 GLY H H 34 7.740 8.598 -0.858 2 1 268 . 1 1 A 34 34 GLY CA C 34 45.215 45.238 -0.023 2 1 269 . 1 1 A 34 34 GLY HA3 H 34 3.988 4.175 -0.187 2 1 270 . 1 1 A 34 34 GLY C C 34 171.280 172.820 -1.540 2 1 271 . 1 1 A 34 34 GLY HA2 H 34 4.030 4.150 -0.120 2 1 272 . 1 1 A 35 35 THR N N 35 119.173 117.679 1.494 2 1 273 . 1 1 A 35 35 THR H H 35 9.363 8.796 0.567 2 1 274 . 1 1 A 35 35 THR CA C 35 60.844 60.970 -0.126 2 1 275 . 1 1 A 35 35 THR HA H 35 5.177 4.952 0.225 2 1 276 . 1 1 A 35 35 THR CB C 35 72.095 69.710 2.385 2 1 282 . 1 1 A 35 35 THR C C 35 173.460 173.751 -0.291 2 1 283 . 1 1 A 36 36 THR N N 36 116.864 122.241 -5.377 2 1 284 . 1 1 A 36 36 THR H H 36 8.425 8.537 -0.112 2 1 285 . 1 1 A 36 36 THR CA C 36 62.841 64.688 -1.847 2 1 286 . 1 1 A 36 36 THR HA H 36 3.701 4.109 -0.408 2 1 287 . 1 1 A 36 36 THR CB C 36 68.447 68.210 0.237 2 1 293 . 1 1 A 36 36 THR C C 36 175.396 175.673 -0.277 2 1 294 . 1 1 A 37 37 GLY N N 37 107.461 114.277 -6.816 2 1 295 . 1 1 A 37 37 GLY H H 37 8.548 8.673 -0.125 2 1 296 . 1 1 A 37 37 GLY CA C 37 45.434 45.029 0.405 2 1 297 . 1 1 A 37 37 GLY HA3 H 37 3.386 3.986 -0.601 2 1 298 . 1 1 A 37 37 GLY C C 37 172.598 174.085 -1.487 2 1 299 . 1 1 A 37 37 GLY HA2 H 37 4.024 3.985 0.039 2 1 300 . 1 1 A 38 38 ILE N N 38 122.313 121.912 0.401 2 1 301 . 1 1 A 38 38 ILE H H 38 7.871 7.770 0.101 2 1 302 . 1 1 A 38 38 ILE CA C 38 58.566 59.889 -1.323 2 1 303 . 1 1 A 38 38 ILE HA H 38 4.274 4.461 -0.187 2 1 304 . 1 1 A 38 38 ILE CB C 38 38.476 39.660 -1.184 2 1 316 . 1 1 A 38 38 ILE C C 38 175.081 174.740 0.341 2 1 318 . 1 1 A 39 39 GLN N N 39 127.942 125.660 2.282 2 1 319 . 1 1 A 39 39 GLN H H 39 8.487 8.610 -0.123 2 1 320 . 1 1 A 39 39 GLN CA C 39 57.394 54.346 3.048 2 1 321 . 1 1 A 39 39 GLN HA H 39 4.312 4.900 -0.588 2 1 322 . 1 1 A 39 39 GLN CB C 39 31.057 30.567 0.490 2 1 329 . 1 1 A 39 39 GLN C C 39 176.011 174.916 1.095 2 1 332 . 1 1 A 40 40 SER N N 40 125.784 122.502 3.282 2 1 333 . 1 1 A 40 40 SER H H 40 9.167 8.378 0.789 2 1 334 . 1 1 A 40 40 SER CA C 40 58.188 57.142 1.046 2 1 335 . 1 1 A 40 40 SER HA H 40 4.633 5.052 -0.419 2 1 336 . 1 1 A 40 40 SER CB C 40 66.149 65.287 0.862 2 1 338 . 1 1 A 40 40 SER C C 40 172.625 173.331 -0.706 2 1 340 . 1 1 A 41 41 GLU N N 41 117.679 119.137 -1.458 2 1 341 . 1 1 A 41 41 GLU H H 41 8.773 9.091 -0.318 2 1 342 . 1 1 A 41 41 GLU CA C 41 54.060 54.592 -0.532 2 1 343 . 1 1 A 41 41 GLU HA H 41 5.629 5.099 0.530 2 1 344 . 1 1 A 41 41 GLU CB C 41 34.053 33.129 0.924 2 1 348 . 1 1 A 41 41 GLU C C 41 175.607 174.917 0.690 2 1 351 . 1 1 A 42 42 PHE N N 42 116.557 117.694 -1.137 2 1 352 . 1 1 A 42 42 PHE H H 42 8.753 8.040 0.713 2 1 353 . 1 1 A 42 42 PHE CA C 42 56.847 55.215 1.632 2 1 354 . 1 1 A 42 42 PHE HA H 42 4.743 5.526 -0.783 2 1 355 . 1 1 A 42 42 PHE CB C 42 40.908 42.390 -1.482 2 1 367 . 1 1 A 42 42 PHE C C 42 170.204 172.989 -2.785 2 1 369 . 1 1 A 43 43 PHE N N 43 118.643 120.148 -1.505 2 1 370 . 1 1 A 43 43 PHE H H 43 9.234 8.570 0.664 2 1 371 . 1 1 A 43 43 PHE CA C 43 57.292 57.270 0.022 2 1 372 . 1 1 A 43 43 PHE HA H 43 5.041 4.869 0.172 2 1 373 . 1 1 A 43 43 PHE CB C 43 42.583 40.815 1.768 2 1 385 . 1 1 A 43 43 PHE C C 43 174.177 175.346 -1.169 2 1 387 . 1 1 A 44 44 ILE N N 44 120.124 121.021 -0.897 2 1 388 . 1 1 A 44 44 ILE H H 44 8.876 8.856 0.020 2 1 389 . 1 1 A 44 44 ILE CA C 44 59.698 60.275 -0.577 2 1 390 . 1 1 A 44 44 ILE HA H 44 4.717 4.758 -0.041 2 1 391 . 1 1 A 44 44 ILE CB C 44 40.591 40.045 0.546 2 1 403 . 1 1 A 44 44 ILE C C 44 174.483 175.197 -0.714 2 1 405 . 1 1 A 45 45 ASN N N 45 127.058 126.146 0.912 2 1 406 . 1 1 A 45 45 ASN H H 45 9.553 8.954 0.599 2 1 407 . 1 1 A 45 45 ASN CA C 45 52.099 52.640 -0.541 2 1 408 . 1 1 A 45 45 ASN HA H 45 5.380 4.870 0.510 2 1 409 . 1 1 A 45 45 ASN CB C 45 39.596 37.840 1.756 2 1 414 . 1 1 A 45 45 ASN C C 45 176.821 175.362 1.459 2 1 416 . 1 1 A 46 46 THR H H 46 9.223 8.514 0.709 2 1 417 . 1 1 A 46 46 THR CA C 46 61.534 60.925 0.609 2 1 418 . 1 1 A 46 46 THR HA H 46 4.368 4.625 -0.257 2 1 419 . 1 1 A 46 46 THR CB C 46 68.352 69.119 -0.767 2 1 425 . 1 1 A 46 46 THR C C 46 176.816 174.839 1.977 2 1 426 . 1 1 A 47 47 THR N N 47 116.732 115.998 0.734 2 1 427 . 1 1 A 47 47 THR H H 47 8.368 7.945 0.423 2 1 428 . 1 1 A 47 47 THR CA C 47 65.916 63.845 2.071 2 1 429 . 1 1 A 47 47 THR HA H 47 4.032 4.286 -0.254 2 1 430 . 1 1 A 47 47 THR CB C 47 69.870 69.368 0.502 2 1 436 . 1 1 A 47 47 THR C C 47 176.865 176.171 0.694 2 1 437 . 1 1 A 48 48 ARG N N 48 119.205 120.773 -1.568 2 1 438 . 1 1 A 48 48 ARG H H 48 8.785 7.899 0.886 2 1 439 . 1 1 A 48 48 ARG CA C 48 56.273 57.882 -1.609 2 1 440 . 1 1 A 48 48 ARG HA H 48 4.488 4.263 0.225 2 1 441 . 1 1 A 48 48 ARG CB C 48 30.862 30.435 0.427 2 1 447 . 1 1 A 48 48 ARG C C 48 176.314 178.333 -2.019 2 1 451 . 1 1 A 49 49 ALA N N 49 120.807 120.587 0.220 2 1 452 . 1 1 A 49 49 ALA H H 49 7.440 7.854 -0.414 2 1 453 . 1 1 A 49 49 ALA CA C 49 53.138 53.487 -0.349 2 1 454 . 1 1 A 49 49 ALA HA H 49 4.341 4.168 0.173 2 1 455 . 1 1 A 49 49 ALA CB C 49 22.427 19.486 2.941 2 1 459 . 1 1 A 49 49 ALA C C 49 177.914 178.002 -0.088 2 1 460 . 1 1 A 50 50 GLY N N 50 105.941 103.487 2.454 2 1 461 . 1 1 A 50 50 GLY H H 50 7.924 7.432 0.492 2 1 462 . 1 1 A 50 50 GLY CA C 50 44.229 44.666 -0.437 2 1 463 . 1 1 A 50 50 GLY HA3 H 50 4.325 4.149 0.175 2 1 464 . 1 1 A 50 50 GLY C C 50 171.089 173.063 -1.974 2 1 465 . 1 1 A 50 50 GLY HA2 H 50 3.948 4.111 -0.163 2 1 466 . 1 1 A 51 51 PRO CA C 51 63.140 63.252 -0.112 2 1 467 . 1 1 A 51 51 PRO HA H 51 4.588 4.552 0.036 2 1 468 . 1 1 A 51 51 PRO CB C 51 33.004 32.650 0.354 2 1 477 . 1 1 A 52 52 GLY CA C 52 45.195 45.301 -0.106 2 1 478 . 1 1 A 52 52 GLY HA3 H 52 3.275 4.209 -0.934 2 1 479 . 1 1 A 52 52 GLY HA2 H 52 3.852 4.146 -0.294 2 1 480 . 1 1 A 53 53 THR N N 53 114.003 115.229 -1.226 2 1 481 . 1 1 A 53 53 THR H H 53 8.049 8.391 -0.342 2 1 482 . 1 1 A 53 53 THR CA C 53 62.352 61.958 0.394 2 1 483 . 1 1 A 53 53 THR HA H 53 4.436 4.740 -0.304 2 1 484 . 1 1 A 53 53 THR CB C 53 69.631 70.028 -0.397 2 1 490 . 1 1 A 54 54 LEU CA C 54 53.891 53.324 0.567 2 1 491 . 1 1 A 54 54 LEU HA H 54 5.077 5.064 0.013 2 1 492 . 1 1 A 54 54 LEU CB C 54 44.515 44.983 -0.468 2 1 503 . 1 1 A 55 55 SER N N 55 120.726 119.390 1.336 2 1 504 . 1 1 A 55 55 SER H H 55 8.783 8.721 0.062 2 1 505 . 1 1 A 55 55 SER CA C 55 56.249 57.246 -0.997 2 1 506 . 1 1 A 55 55 SER HA H 55 5.092 5.136 -0.044 2 1 507 . 1 1 A 55 55 SER CB C 55 65.032 64.976 0.056 2 1 509 . 1 1 A 55 55 SER C C 55 173.165 173.117 0.048 2 1 511 . 1 1 A 56 56 VAL N N 56 126.234 125.189 1.045 2 1 512 . 1 1 A 56 56 VAL H H 56 8.336 8.891 -0.555 2 1 513 . 1 1 A 56 56 VAL CA C 56 60.515 60.361 0.154 2 1 514 . 1 1 A 56 56 VAL HA H 56 5.134 5.046 0.088 2 1 515 . 1 1 A 56 56 VAL CB C 56 34.463 34.770 -0.307 2 1 520 . 1 1 A 56 56 VAL C C 56 174.718 174.367 0.351 2 1 521 . 1 1 A 57 57 THR N N 57 120.539 122.070 -1.531 2 1 522 . 1 1 A 57 57 THR H H 57 8.828 8.749 0.079 2 1 523 . 1 1 A 57 57 THR CA C 57 60.580 61.659 -1.079 2 1 524 . 1 1 A 57 57 THR HA H 57 5.132 5.010 0.122 2 1 525 . 1 1 A 57 57 THR CB C 57 72.187 71.690 0.497 2 1 531 . 1 1 A 57 57 THR C C 57 172.970 173.353 -0.383 2 1 532 . 1 1 A 58 58 ILE N N 58 123.949 127.161 -3.212 2 1 533 . 1 1 A 58 58 ILE H H 58 9.249 8.951 0.298 2 1 534 . 1 1 A 58 58 ILE CA C 58 61.297 59.795 1.502 2 1 535 . 1 1 A 58 58 ILE HA H 58 5.001 5.209 -0.208 2 1 536 . 1 1 A 58 58 ILE CB C 58 39.755 40.706 -0.951 2 1 548 . 1 1 A 58 58 ILE C C 58 174.848 174.704 0.144 2 1 550 . 1 1 A 59 59 GLU N N 59 129.027 124.945 4.082 2 1 551 . 1 1 A 59 59 GLU H H 59 8.966 9.028 -0.062 2 1 552 . 1 1 A 59 59 GLU CA C 59 53.911 54.655 -0.744 2 1 553 . 1 1 A 59 59 GLU HA H 59 5.427 5.166 0.261 2 1 554 . 1 1 A 59 59 GLU CB C 59 33.843 33.237 0.606 2 1 558 . 1 1 A 59 59 GLU C C 59 175.342 175.447 -0.105 2 1 561 . 1 1 A 60 60 GLY N N 60 110.765 109.556 1.209 2 1 562 . 1 1 A 60 60 GLY H H 60 8.597 8.218 0.379 2 1 563 . 1 1 A 60 60 GLY CA C 60 45.997 44.627 1.370 2 1 564 . 1 1 A 60 60 GLY HA3 H 60 3.908 3.809 0.099 2 1 565 . 1 1 A 60 60 GLY C C 60 171.205 173.910 -2.705 2 1 566 . 1 1 A 60 60 GLY HA2 H 60 3.685 3.280 0.405 2 1 567 . 1 1 A 61 61 PRO CA C 61 64.057 64.332 -0.275 2 1 568 . 1 1 A 61 61 PRO HA H 61 4.415 4.329 0.086 2 1 569 . 1 1 A 61 61 PRO CB C 61 32.143 32.051 0.092 2 1 575 . 1 1 A 61 61 PRO C C 61 175.925 176.385 -0.460 2 1 579 . 1 1 A 62 62 SER N N 62 108.413 113.671 -5.258 2 1 580 . 1 1 A 62 62 SER H H 62 7.144 7.782 -0.638 2 1 581 . 1 1 A 62 62 SER CA C 62 57.037 57.692 -0.655 2 1 582 . 1 1 A 62 62 SER HA H 62 4.596 4.853 -0.257 2 1 583 . 1 1 A 62 62 SER CB C 62 66.522 65.068 1.454 2 1 585 . 1 1 A 62 62 SER C C 62 172.446 173.571 -1.125 2 1 587 . 1 1 A 63 63 LYS N N 63 122.539 125.866 -3.327 2 1 588 . 1 1 A 63 63 LYS H H 63 8.620 8.547 0.073 2 1 589 . 1 1 A 63 63 LYS CA C 63 56.407 56.781 -0.374 2 1 590 . 1 1 A 63 63 LYS HA H 63 4.267 4.383 -0.116 2 1 591 . 1 1 A 63 63 LYS CB C 63 32.576 33.040 -0.464 2 1 596 . 1 1 A 63 63 LYS C C 63 176.658 176.398 0.260 2 1 601 . 1 1 A 64 64 VAL N N 64 120.278 119.910 0.368 2 1 602 . 1 1 A 64 64 VAL H H 64 8.554 8.817 -0.263 2 1 603 . 1 1 A 64 64 VAL CA C 64 60.425 59.778 0.647 2 1 604 . 1 1 A 64 64 VAL HA H 64 4.460 4.868 -0.408 2 1 605 . 1 1 A 64 64 VAL CB C 64 32.938 34.782 -1.844 2 1 615 . 1 1 A 64 64 VAL C C 64 176.629 174.731 1.899 2 1 616 . 1 1 A 65 65 LYS N N 65 121.529 123.871 -2.342 2 1 617 . 1 1 A 65 65 LYS H H 65 8.139 8.542 -0.403 2 1 618 . 1 1 A 65 65 LYS CA C 65 56.181 55.748 0.433 2 1 619 . 1 1 A 65 65 LYS HA H 65 4.474 4.602 -0.128 2 1 620 . 1 1 A 65 65 LYS CB C 65 32.960 32.733 0.227 2 1 627 . 1 1 A 65 65 LYS C C 65 176.309 175.708 0.601 2 1 632 . 1 1 A 66 66 MET N N 66 125.382 123.519 1.863 2 1 633 . 1 1 A 66 66 MET H H 66 8.811 8.506 0.305 2 1 634 . 1 1 A 66 66 MET CA C 66 55.055 54.470 0.585 2 1 635 . 1 1 A 66 66 MET HA H 66 5.393 5.129 0.264 2 1 636 . 1 1 A 66 66 MET CB C 66 37.398 33.877 3.521 2 1 644 . 1 1 A 66 66 MET C C 66 174.026 175.143 -1.117 2 1 647 . 1 1 A 67 67 ASP N N 67 122.714 122.730 -0.016 2 1 648 . 1 1 A 67 67 ASP H H 67 8.995 8.604 0.391 2 1 649 . 1 1 A 67 67 ASP CA C 67 53.231 53.311 -0.080 2 1 650 . 1 1 A 67 67 ASP HA H 67 4.854 5.094 -0.240 2 1 651 . 1 1 A 67 67 ASP CB C 67 44.980 42.933 2.047 2 1 654 . 1 1 A 68 68 CYS H H 68 8.412 8.615 -0.203 2 1 655 . 1 1 A 68 68 CYS CA C 68 56.390 58.671 -2.281 2 1 656 . 1 1 A 68 68 CYS HA H 68 5.288 4.843 0.445 2 1 657 . 1 1 A 68 68 CYS CB C 68 28.188 28.779 -0.591 2 1 660 . 1 1 A 69 69 GLN N N 69 125.044 123.073 1.971 2 1 661 . 1 1 A 69 69 GLN H H 69 9.116 8.468 0.648 2 1 662 . 1 1 A 69 69 GLN CA C 69 56.403 54.933 1.470 2 1 663 . 1 1 A 69 69 GLN HA H 69 5.290 4.738 0.552 2 1 664 . 1 1 A 69 69 GLN CB C 69 32.962 31.344 1.618 2 1 671 . 1 1 A 70 70 GLU N N 70 125.781 124.480 1.301 2 1 672 . 1 1 A 70 70 GLU H H 70 8.979 8.701 0.278 2 1 673 . 1 1 A 70 70 GLU CA C 70 56.418 56.292 0.126 2 1 674 . 1 1 A 70 70 GLU HA H 70 4.029 4.682 -0.653 2 1 675 . 1 1 A 70 70 GLU CB C 70 30.585 30.569 0.016 2 1 681 . 1 1 A 71 71 THR N N 71 118.158 114.439 3.719 2 1 682 . 1 1 A 71 71 THR H H 71 8.455 8.332 0.123 2 1 683 . 1 1 A 71 71 THR CA C 71 59.209 58.483 0.726 2 1 684 . 1 1 A 71 71 THR HA H 71 4.902 4.958 -0.056 2 1 685 . 1 1 A 71 71 THR CB C 71 68.926 70.306 -1.380 2 1 691 . 1 1 A 72 72 PRO CA C 72 65.290 64.344 0.946 2 1 692 . 1 1 A 72 72 PRO HA H 72 4.296 4.492 -0.196 2 1 693 . 1 1 A 72 72 PRO CB C 72 31.848 31.669 0.179 2 1 699 . 1 1 A 72 72 PRO C C 72 177.476 177.556 -0.080 2 1 703 . 1 1 A 73 73 GLU N N 73 112.293 117.639 -5.346 2 1 704 . 1 1 A 73 73 GLU H H 73 7.562 8.479 -0.917 2 1 705 . 1 1 A 73 73 GLU CA C 73 55.577 57.462 -1.885 2 1 706 . 1 1 A 73 73 GLU HA H 73 4.370 4.358 0.012 2 1 707 . 1 1 A 73 73 GLU CB C 73 30.787 31.279 -0.492 2 1 711 . 1 1 A 73 73 GLU C C 73 174.438 176.498 -2.060 2 1 714 . 1 1 A 74 74 GLY N N 74 109.223 106.353 2.870 2 1 715 . 1 1 A 74 74 GLY H H 74 7.324 7.218 0.106 2 1 716 . 1 1 A 74 74 GLY CA C 74 47.146 45.945 1.201 2 1 717 . 1 1 A 74 74 GLY HA3 H 74 3.551 4.054 -0.503 2 1 718 . 1 1 A 74 74 GLY C C 74 172.589 171.376 1.213 2 1 719 . 1 1 A 74 74 GLY HA2 H 74 4.949 3.904 1.045 2 1 720 . 1 1 A 75 75 TYR N N 75 123.117 119.766 3.351 2 1 721 . 1 1 A 75 75 TYR H H 75 8.883 8.289 0.594 2 1 722 . 1 1 A 75 75 TYR CA C 75 57.566 56.834 0.732 2 1 723 . 1 1 A 75 75 TYR HA H 75 5.171 5.180 -0.009 2 1 724 . 1 1 A 75 75 TYR CB C 75 44.111 41.770 2.341 2 1 734 . 1 1 A 75 75 TYR C C 75 173.925 173.919 0.006 2 1 736 . 1 1 A 76 76 LYS N N 76 124.633 125.926 -1.293 2 1 737 . 1 1 A 76 76 LYS H H 76 9.390 8.694 0.696 2 1 738 . 1 1 A 76 76 LYS CA C 76 55.055 55.245 -0.190 2 1 739 . 1 1 A 76 76 LYS HA H 76 4.594 4.536 0.058 2 1 740 . 1 1 A 76 76 LYS CB C 76 35.124 34.150 0.974 2 1 748 . 1 1 A 76 76 LYS C C 76 174.069 174.783 -0.714 2 1 753 . 1 1 A 77 77 VAL N N 77 126.947 125.903 1.044 2 1 754 . 1 1 A 77 77 VAL H H 77 8.607 7.878 0.729 2 1 755 . 1 1 A 77 77 VAL CA C 77 60.894 60.522 0.372 2 1 756 . 1 1 A 77 77 VAL HA H 77 4.280 4.594 -0.314 2 1 757 . 1 1 A 77 77 VAL CB C 77 32.115 33.872 -1.757 2 1 767 . 1 1 A 77 77 VAL C C 77 173.586 174.619 -1.033 2 1 768 . 1 1 A 78 78 MET N N 78 123.986 124.955 -0.969 2 1 769 . 1 1 A 78 78 MET H H 78 8.410 8.684 -0.274 2 1 770 . 1 1 A 78 78 MET CA C 78 53.236 54.088 -0.852 2 1 771 . 1 1 A 78 78 MET HA H 78 5.290 5.259 0.031 2 1 772 . 1 1 A 78 78 MET CB C 78 36.873 35.941 0.932 2 1 780 . 1 1 A 78 78 MET C C 78 174.665 174.555 0.109 2 1 783 . 1 1 A 79 79 TYR N N 79 117.488 119.341 -1.853 2 1 784 . 1 1 A 79 79 TYR H H 79 8.739 8.408 0.331 2 1 785 . 1 1 A 79 79 TYR CA C 79 56.011 56.057 -0.046 2 1 786 . 1 1 A 79 79 TYR HA H 79 5.654 5.450 0.204 2 1 787 . 1 1 A 79 79 TYR CB C 79 41.549 41.690 -0.141 2 1 797 . 1 1 A 79 79 TYR C C 79 172.927 173.115 -0.188 2 1 799 . 1 1 A 80 80 THR H H 80 8.383 8.891 -0.508 2 1 800 . 1 1 A 80 80 THR CA C 80 58.611 59.023 -0.412 2 1 801 . 1 1 A 80 80 THR HA H 80 4.978 4.725 0.253 2 1 802 . 1 1 A 80 80 THR CB C 80 70.258 70.835 -0.577 2 1 808 . 1 1 A 81 81 PRO CA C 81 61.531 62.813 -1.282 2 1 809 . 1 1 A 81 81 PRO HA H 81 4.532 4.718 -0.186 2 1 810 . 1 1 A 81 81 PRO CB C 81 32.774 31.925 0.849 2 1 819 . 1 1 A 82 82 MET N N 82 117.590 121.798 -4.208 2 1 820 . 1 1 A 82 82 MET H H 82 8.299 8.835 -0.536 2 1 821 . 1 1 A 82 82 MET CA C 82 53.882 57.130 -3.248 2 1 822 . 1 1 A 82 82 MET HA H 82 4.851 4.521 0.330 2 1 823 . 1 1 A 82 82 MET CB C 82 33.337 34.023 -0.686 2 1 831 . 1 1 A 82 82 MET C C 82 174.339 175.951 -1.612 2 1 834 . 1 1 A 83 83 ALA N N 83 119.196 119.957 -0.761 2 1 835 . 1 1 A 83 83 ALA H H 83 7.076 7.870 -0.794 2 1 836 . 1 1 A 83 83 ALA CA C 83 49.425 49.600 -0.175 2 1 837 . 1 1 A 83 83 ALA HA H 83 4.791 4.754 0.037 2 1 838 . 1 1 A 83 83 ALA CB C 83 20.682 21.457 -0.775 2 1 842 . 1 1 A 83 83 ALA C C 83 174.364 174.820 -0.456 2 1 843 . 1 1 A 84 84 PRO CA C 84 62.540 63.305 -0.765 2 1 844 . 1 1 A 84 84 PRO HA H 84 4.244 4.532 -0.288 2 1 845 . 1 1 A 84 84 PRO CB C 84 32.615 33.271 -0.656 2 1 851 . 1 1 A 84 84 PRO C C 84 174.214 176.061 -1.847 2 1 855 . 1 1 A 85 85 GLY N N 85 105.436 108.242 -2.806 2 1 856 . 1 1 A 85 85 GLY H H 85 8.855 8.235 0.620 2 1 857 . 1 1 A 85 85 GLY CA C 85 44.156 44.750 -0.594 2 1 858 . 1 1 A 85 85 GLY HA3 H 85 3.761 4.256 -0.495 2 1 859 . 1 1 A 85 85 GLY C C 85 171.801 172.405 -0.604 2 1 860 . 1 1 A 85 85 GLY HA2 H 85 4.515 4.228 0.287 2 1 861 . 1 1 A 86 86 ASN N N 86 119.042 118.473 0.569 2 1 862 . 1 1 A 86 86 ASN H H 86 8.573 8.541 0.032 2 1 863 . 1 1 A 86 86 ASN CA C 86 52.499 51.927 0.572 2 1 864 . 1 1 A 86 86 ASN HA H 86 5.517 5.669 -0.152 2 1 865 . 1 1 A 86 86 ASN CB C 86 39.390 40.418 -1.028 2 1 870 . 1 1 A 86 86 ASN C C 86 174.453 173.885 0.568 2 1 872 . 1 1 A 87 87 TYR N N 87 122.992 122.553 0.439 2 1 873 . 1 1 A 87 87 TYR H H 87 9.369 8.897 0.472 2 1 874 . 1 1 A 87 87 TYR CA C 87 56.366 56.383 -0.017 2 1 875 . 1 1 A 87 87 TYR HA H 87 5.140 5.478 -0.338 2 1 876 . 1 1 A 87 87 TYR CB C 87 40.267 41.753 -1.486 2 1 886 . 1 1 A 87 87 TYR C C 87 174.332 174.501 -0.169 2 1 888 . 1 1 A 88 88 LEU N N 88 124.720 122.886 1.834 2 1 889 . 1 1 A 88 88 LEU H H 88 9.306 8.872 0.434 2 1 890 . 1 1 A 88 88 LEU CA C 88 53.426 53.755 -0.329 2 1 891 . 1 1 A 88 88 LEU HA H 88 5.253 5.234 0.019 2 1 892 . 1 1 A 88 88 LEU CB C 88 44.487 45.768 -1.281 2 1 904 . 1 1 A 88 88 LEU C C 88 177.074 174.506 2.568 2 1 906 . 1 1 A 89 89 ILE N N 89 130.469 127.664 2.805 2 1 907 . 1 1 A 89 89 ILE H H 89 9.807 9.033 0.774 2 1 908 . 1 1 A 89 89 ILE CA C 89 60.792 60.185 0.607 2 1 909 . 1 1 A 89 89 ILE HA H 89 4.851 4.902 -0.051 2 1 910 . 1 1 A 89 89 ILE CB C 89 39.662 39.754 -0.092 2 1 922 . 1 1 A 89 89 ILE C C 89 175.605 174.897 0.708 2 1 924 . 1 1 A 90 90 SER N N 90 123.845 124.086 -0.241 2 1 925 . 1 1 A 90 90 SER H H 90 9.540 8.948 0.592 2 1 926 . 1 1 A 90 90 SER CA C 90 58.036 57.545 0.491 2 1 927 . 1 1 A 90 90 SER HA H 90 5.199 5.199 -0.000 2 1 928 . 1 1 A 90 90 SER CB C 90 64.133 64.876 -0.743 2 1 930 . 1 1 A 90 90 SER C C 90 173.566 173.599 -0.032 2 1 932 . 1 1 A 91 91 VAL N N 91 128.427 125.000 3.427 2 1 933 . 1 1 A 91 91 VAL H H 91 9.918 8.762 1.156 2 1 934 . 1 1 A 91 91 VAL CA C 91 61.447 61.465 -0.018 2 1 935 . 1 1 A 91 91 VAL HA H 91 4.837 4.858 -0.021 2 1 936 . 1 1 A 91 91 VAL CB C 91 33.761 34.657 -0.896 2 1 946 . 1 1 A 91 91 VAL C C 91 173.296 174.749 -1.453 2 1 947 . 1 1 A 92 92 LYS N N 92 125.779 126.540 -0.761 2 1 948 . 1 1 A 92 92 LYS H H 92 8.892 8.747 0.145 2 1 949 . 1 1 A 92 92 LYS CA C 92 54.468 54.781 -0.313 2 1 950 . 1 1 A 92 92 LYS HA H 92 5.065 5.140 -0.075 2 1 951 . 1 1 A 92 92 LYS CB C 92 36.106 35.608 0.498 2 1 959 . 1 1 A 92 92 LYS C C 92 175.189 174.858 0.331 2 1 964 . 1 1 A 93 93 TYR N N 93 120.251 123.652 -3.401 2 1 965 . 1 1 A 93 93 TYR H H 93 8.061 8.951 -0.890 2 1 966 . 1 1 A 93 93 TYR CA C 93 56.884 57.107 -0.223 2 1 967 . 1 1 A 93 93 TYR HA H 93 5.522 5.012 0.510 2 1 968 . 1 1 A 93 93 TYR CB C 93 44.120 41.498 2.622 2 1 978 . 1 1 A 93 93 TYR C C 93 175.517 175.749 -0.232 2 1 980 . 1 1 A 94 94 GLY N N 94 114.148 113.864 0.284 2 1 981 . 1 1 A 94 94 GLY H H 94 8.274 8.546 -0.272 2 1 982 . 1 1 A 94 94 GLY CA C 94 45.959 46.336 -0.377 2 1 983 . 1 1 A 94 94 GLY HA3 H 94 3.705 3.724 -0.019 2 1 984 . 1 1 A 94 94 GLY C C 94 173.595 174.004 -0.409 2 1 985 . 1 1 A 94 94 GLY HA2 H 94 3.877 3.642 0.235 2 1 986 . 1 1 A 95 95 GLY N N 95 107.010 107.872 -0.862 2 1 987 . 1 1 A 95 95 GLY H H 95 7.452 8.191 -0.739 2 1 988 . 1 1 A 95 95 GLY CA C 95 43.954 44.612 -0.658 2 1 989 . 1 1 A 95 95 GLY HA3 H 95 3.618 4.052 -0.434 2 1 990 . 1 1 A 95 95 GLY C C 95 172.825 174.139 -1.314 2 1 991 . 1 1 A 95 95 GLY HA2 H 95 4.507 4.038 0.469 2 1 992 . 1 1 A 96 96 PRO CA C 96 63.221 64.080 -0.859 2 1 993 . 1 1 A 96 96 PRO HA H 96 4.413 4.487 -0.074 2 1 994 . 1 1 A 96 96 PRO CB C 96 30.955 31.865 -0.910 2 1 1000 . 1 1 A 96 96 PRO C C 96 175.901 176.341 -0.440 2 1 1004 . 1 1 A 97 97 ASN N N 97 119.942 117.557 2.385 2 1 1005 . 1 1 A 97 97 ASN H H 97 8.172 8.028 0.144 2 1 1006 . 1 1 A 97 97 ASN CA C 97 52.914 53.271 -0.357 2 1 1007 . 1 1 A 97 97 ASN HA H 97 4.864 4.670 0.194 2 1 1008 . 1 1 A 97 97 ASN CB C 97 39.806 38.875 0.931 2 1 1013 . 1 1 A 97 97 ASN C C 97 174.285 175.242 -0.957 2 1 1015 . 1 1 A 98 98 HIS N N 98 121.803 121.492 0.311 2 1 1016 . 1 1 A 98 98 HIS H H 98 8.456 8.416 0.040 2 1 1017 . 1 1 A 98 98 HIS CA C 98 58.023 54.934 3.089 2 1 1018 . 1 1 A 98 98 HIS HA H 98 4.475 4.952 -0.478 2 1 1019 . 1 1 A 98 98 HIS CB C 98 33.382 31.458 1.924 2 1 1025 . 1 1 A 98 98 HIS C C 98 177.938 175.300 2.638 2 1 1027 . 1 1 A 99 99 ILE N N 99 115.599 116.215 -0.616 2 1 1028 . 1 1 A 99 99 ILE H H 99 8.237 8.154 0.083 2 1 1029 . 1 1 A 99 99 ILE CA C 99 60.895 59.658 1.237 2 1 1030 . 1 1 A 99 99 ILE HA H 99 4.545 4.380 0.165 2 1 1031 . 1 1 A 99 99 ILE CB C 99 38.675 40.058 -1.383 2 1 1043 . 1 1 A 99 99 ILE C C 99 176.165 175.889 0.276 2 1 1045 . 1 1 A 100 100 VAL H H 100 8.389 8.454 -0.065 2 1 1046 . 1 1 A 100 100 VAL CA C 100 65.835 64.901 0.934 2 1 1047 . 1 1 A 100 100 VAL HA H 100 3.673 3.668 0.005 2 1 1048 . 1 1 A 100 100 VAL CB C 100 31.169 31.577 -0.408 2 1 1058 . 1 1 A 101 101 GLY N N 101 116.014 116.017 -0.003 2 1 1059 . 1 1 A 101 101 GLY H H 101 8.297 8.911 -0.614 2 1 1060 . 1 1 A 101 101 GLY CA C 101 44.626 45.190 -0.564 2 1 1061 . 1 1 A 101 101 GLY HA3 H 101 3.227 4.059 -0.832 2 1 1062 . 1 1 A 101 101 GLY C C 101 171.863 173.928 -2.065 2 1 1063 . 1 1 A 101 101 GLY HA2 H 101 4.207 3.976 0.231 2 1 1064 . 1 1 A 102 102 SER N N 102 111.977 116.877 -4.900 2 1 1065 . 1 1 A 102 102 SER H H 102 7.304 7.524 -0.220 2 1 1066 . 1 1 A 102 102 SER CA C 102 54.570 56.158 -1.588 2 1 1067 . 1 1 A 102 102 SER HA H 102 3.915 3.604 0.311 2 1 1068 . 1 1 A 102 102 SER CB C 102 62.569 63.411 -0.842 2 1 1071 . 1 1 A 103 103 PRO CA C 103 62.215 62.192 0.023 2 1 1072 . 1 1 A 103 103 PRO HA H 103 5.475 4.349 1.126 2 1 1073 . 1 1 A 103 103 PRO CB C 103 33.552 32.350 1.202 2 1 1079 . 1 1 A 103 103 PRO C C 103 175.646 175.478 0.168 2 1 1083 . 1 1 A 104 104 PHE N N 104 123.291 120.529 2.762 2 1 1084 . 1 1 A 104 104 PHE H H 104 9.465 8.329 1.136 2 1 1085 . 1 1 A 104 104 PHE CA C 104 57.015 57.247 -0.232 2 1 1086 . 1 1 A 104 104 PHE HA H 104 4.531 4.880 -0.349 2 1 1087 . 1 1 A 104 104 PHE CB C 104 40.607 40.435 0.172 2 1 1099 . 1 1 A 104 104 PHE C C 104 175.305 175.017 0.288 2 1 1101 . 1 1 A 105 105 LYS N N 105 123.989 123.853 0.136 2 1 1102 . 1 1 A 105 105 LYS H H 105 8.712 8.972 -0.260 2 1 1103 . 1 1 A 105 105 LYS CA C 105 55.868 55.387 0.481 2 1 1104 . 1 1 A 105 105 LYS HA H 105 4.913 4.847 0.066 2 1 1105 . 1 1 A 105 105 LYS CB C 105 32.762 33.275 -0.513 2 1 1113 . 1 1 A 105 105 LYS C C 105 174.065 175.378 -1.313 2 1 1118 . 1 1 A 106 106 ALA N N 106 129.654 128.326 1.328 2 1 1119 . 1 1 A 106 106 ALA H H 106 8.964 8.667 0.297 2 1 1120 . 1 1 A 106 106 ALA CA C 106 50.325 50.509 -0.184 2 1 1121 . 1 1 A 106 106 ALA HA H 106 4.497 5.236 -0.739 2 1 1122 . 1 1 A 106 106 ALA CB C 106 20.496 21.684 -1.188 2 1 1126 . 1 1 A 106 106 ALA C C 106 176.111 175.609 0.502 2 1 1127 . 1 1 A 107 107 LYS N N 107 124.155 122.548 1.607 2 1 1128 . 1 1 A 107 107 LYS H H 107 7.955 8.746 -0.791 2 1 1129 . 1 1 A 107 107 LYS CA C 107 55.904 54.833 1.071 2 1 1130 . 1 1 A 107 107 LYS HA H 107 4.950 4.992 -0.042 2 1 1131 . 1 1 A 107 107 LYS CB C 107 33.755 34.933 -1.178 2 1 1139 . 1 1 A 107 107 LYS C C 107 175.350 175.039 0.311 2 1 1144 . 1 1 A 108 108 VAL N N 108 128.726 127.747 0.979 2 1 1145 . 1 1 A 108 108 VAL H H 108 9.373 8.901 0.472 2 1 1146 . 1 1 A 108 108 VAL CA C 108 60.804 61.563 -0.759 2 1 1147 . 1 1 A 108 108 VAL HA H 108 4.851 4.843 0.008 2 1 1148 . 1 1 A 108 108 VAL CB C 108 33.175 32.676 0.499 2 1 1158 . 1 1 A 108 108 VAL C C 108 177.017 175.614 1.403 2 1 1159 . 1 1 A 109 109 THR N N 109 121.067 117.193 3.874 2 1 1160 . 1 1 A 109 109 THR H H 109 8.527 8.481 0.046 2 1 1161 . 1 1 A 109 109 THR CA C 109 60.138 59.848 0.290 2 1 1162 . 1 1 A 109 109 THR HA H 109 4.864 4.974 -0.110 2 1 1163 . 1 1 A 109 109 THR CB C 109 70.960 71.446 -0.486 2 1 1169 . 1 1 A 109 109 THR C C 109 173.130 173.546 -0.416 2 1 1170 . 1 1 A 110 110 GLY N N 110 106.893 108.662 -1.769 2 1 1171 . 1 1 A 110 110 GLY H H 110 8.404 8.483 -0.079 2 1 1172 . 1 1 A 110 110 GLY CA C 110 43.888 44.932 -1.044 2 1 1173 . 1 1 A 110 110 GLY HA3 H 110 3.851 4.150 -0.299 2 1 1174 . 1 1 A 110 110 GLY C C 110 173.870 173.309 0.561 2 1 1175 . 1 1 A 110 110 GLY HA2 H 110 4.773 4.148 0.625 2 1 1176 . 1 1 A 111 111 GLN N N 111 116.999 120.420 -3.421 2 1 1177 . 1 1 A 111 111 GLN H H 111 8.234 8.357 -0.123 2 1 1178 . 1 1 A 111 111 GLN CA C 111 55.230 55.842 -0.612 2 1 1179 . 1 1 A 111 111 GLN HA H 111 4.269 4.402 -0.133 2 1 1180 . 1 1 A 111 111 GLN CB C 111 30.118 29.407 0.711 2 1 1187 . 1 1 A 111 111 GLN C C 111 176.550 175.592 0.958 2 1 1190 . 1 1 A 112 112 ARG N N 112 122.131 123.004 -0.873 2 1 1191 . 1 1 A 112 112 ARG H H 112 8.832 8.286 0.546 2 1 1192 . 1 1 A 112 112 ARG CA C 112 57.384 56.566 0.818 2 1 1193 . 1 1 A 112 112 ARG HA H 112 4.300 4.275 0.025 2 1 1194 . 1 1 A 112 112 ARG CB C 112 30.059 30.687 -0.628 2 1 1200 . 1 1 A 112 112 ARG C C 112 175.836 175.876 -0.040 2 1 1204 . 1 1 A 113 113 LEU N N 113 126.764 125.572 1.192 2 1 1205 . 1 1 A 113 113 LEU H H 113 8.424 8.462 -0.038 2 1 1206 . 1 1 A 113 113 LEU CA C 113 54.919 54.338 0.581 2 1 1207 . 1 1 A 113 113 LEU HA H 113 4.517 4.603 -0.086 2 1 1208 . 1 1 A 113 113 LEU CB C 113 42.706 42.142 0.564 2 1 1220 . 1 1 A 113 113 LEU C C 113 176.521 176.393 0.128 2 1 1222 . 1 1 A 116 116 PRO CA C 116 63.729 63.925 -0.196 2 1 1223 . 1 1 A 116 116 PRO HA H 116 4.436 4.465 -0.029 2 1 1224 . 1 1 A 116 116 PRO CB C 116 32.182 32.235 -0.053 2 1 1233 . 1 1 A 117 117 GLY N N 117 110.092 107.660 2.432 2 1 1234 . 1 1 A 117 117 GLY H H 117 8.493 7.854 0.639 2 1 1235 . 1 1 A 118 118 SER CA C 118 58.420 58.078 0.342 2 1 1236 . 1 1 A 118 118 SER HA H 118 4.454 4.808 -0.354 2 1 1237 . 1 1 A 118 118 SER CB C 118 64.014 64.446 -0.432 2 1 1239 . 1 1 A 118 118 SER C C 118 174.495 173.477 1.018 2 1 1241 . 1 1 A 119 119 ALA N N 119 125.244 126.230 -0.986 2 1 1242 . 1 1 A 119 119 ALA H H 119 8.365 8.481 -0.116 2 1 1243 . 1 1 A 119 119 ALA CA C 119 52.697 51.460 1.237 2 1 1244 . 1 1 A 119 119 ALA HA H 119 4.333 4.832 -0.499 2 1 1245 . 1 1 A 119 119 ALA CB C 119 19.378 20.843 -1.465 2 1 1249 . 1 1 A 119 119 ALA C C 119 177.362 176.113 1.249 2 1 1250 . 1 1 A 120 120 ASN N N 120 117.122 120.137 -3.015 2 1 1251 . 1 1 A 120 120 ASN H H 120 8.311 8.758 -0.447 2 1 1252 . 1 1 A 120 120 ASN CA C 120 53.198 52.355 0.843 2 1 1253 . 1 1 A 120 120 ASN HA H 120 4.659 5.166 -0.507 2 1 1254 . 1 1 A 120 120 ASN CB C 120 38.852 40.797 -1.945 2 1 1259 . 1 1 A 120 120 ASN C C 120 175.112 173.951 1.161 2 1 1261 . 1 1 A 122 122 THR CA C 122 61.947 61.295 0.652 2 1 1262 . 1 1 A 122 122 THR HA H 122 4.197 4.798 -0.601 2 1 1263 . 1 1 A 122 122 THR CB C 122 69.949 70.415 -0.466 2 stop_ save_