data_16058_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16058 _Entry.PDB_ID 2KC0 _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 25 _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 60 . 1 1 1 A 9 9 GLY H H 15 8.346 8.881 -0.535 1 1 61 . 1 1 1 A 9 9 GLY HA2 H 15 4.021 3.861 0.160 1 1 62 . 1 1 1 A 9 9 GLY HA3 H 15 3.772 3.868 -0.096 1 1 63 . 1 1 1 A 9 9 GLY C C 15 174.259 175.383 -1.124 1 1 64 . 1 1 1 A 9 9 GLY CA C 15 45.581 46.424 -0.843 1 1 65 . 1 1 1 A 9 9 GLY N N 15 107.368 111.005 -3.637 1 1 66 . 1 1 1 A 10 10 LEU H H 16 7.224 7.768 -0.544 1 1 67 . 1 1 1 A 10 10 LEU HA H 16 3.736 4.004 -0.268 1 1 77 . 1 1 1 A 10 10 LEU C C 16 178.202 179.285 -1.083 1 1 78 . 1 1 1 A 10 10 LEU CA C 16 57.915 57.347 0.568 1 1 79 . 1 1 1 A 10 10 LEU CB C 16 40.686 41.144 -0.458 1 1 83 . 1 1 1 A 10 10 LEU N N 16 117.616 123.203 -5.587 1 1 84 . 1 1 1 A 11 11 ALA H H 17 7.860 7.896 -0.036 1 1 85 . 1 1 1 A 11 11 ALA HA H 17 3.937 4.010 -0.073 1 1 89 . 1 1 1 A 11 11 ALA C C 17 181.090 178.826 2.264 1 1 90 . 1 1 1 A 11 11 ALA CA C 17 54.860 55.368 -0.508 1 1 91 . 1 1 1 A 11 11 ALA CB C 17 17.248 17.289 -0.041 1 1 92 . 1 1 1 A 11 11 ALA N N 17 117.757 122.277 -4.520 1 1 93 . 1 1 1 A 12 12 ASP H H 18 8.017 8.374 -0.357 1 1 94 . 1 1 1 A 12 12 ASP HA H 18 4.223 4.355 -0.132 1 1 97 . 1 1 1 A 12 12 ASP C C 18 177.941 178.198 -0.257 1 1 98 . 1 1 1 A 12 12 ASP CA C 18 56.341 57.455 -1.114 1 1 99 . 1 1 1 A 12 12 ASP CB C 18 39.312 41.635 -2.323 1 1 100 . 1 1 1 A 12 12 ASP N N 18 118.410 118.821 -0.411 1 1 101 . 1 1 1 A 13 13 ALA H H 19 8.205 7.737 0.468 1 1 102 . 1 1 1 A 13 13 ALA HA H 19 3.952 4.167 -0.215 1 1 106 . 1 1 1 A 13 13 ALA C C 19 178.856 178.191 0.665 1 1 107 . 1 1 1 A 13 13 ALA CA C 19 55.039 54.161 0.878 1 1 108 . 1 1 1 A 13 13 ALA CB C 19 17.779 18.513 -0.734 1 1 109 . 1 1 1 A 13 13 ALA N N 19 121.480 121.623 -0.143 1 1 110 . 1 1 1 A 14 14 LEU H H 20 7.217 7.181 0.036 1 1 111 . 1 1 1 A 14 14 LEU HA H 20 4.258 4.239 0.019 1 1 121 . 1 1 1 A 14 14 LEU C C 20 177.544 178.498 -0.954 1 1 122 . 1 1 1 A 14 14 LEU CA C 20 55.511 56.500 -0.989 1 1 123 . 1 1 1 A 14 14 LEU CB C 20 42.176 42.709 -0.533 1 1 126 . 1 1 1 A 14 14 LEU N N 20 113.410 116.211 -2.801 1 1 127 . 1 1 1 A 15 15 THR H H 21 7.624 7.574 0.050 1 1 128 . 1 1 1 A 15 15 THR HA H 21 4.394 4.352 0.042 1 1 133 . 1 1 1 A 15 15 THR C C 21 174.959 174.642 0.317 1 1 134 . 1 1 1 A 15 15 THR CA C 21 61.733 62.595 -0.862 1 1 135 . 1 1 1 A 15 15 THR CB C 21 71.514 69.417 2.097 1 1 137 . 1 1 1 A 15 15 THR N N 21 106.072 107.206 -1.134 1 1 138 . 1 1 1 A 16 16 ALA H H 22 8.932 7.915 1.017 1 1 139 . 1 1 1 A 16 16 ALA HA H 22 4.624 4.865 -0.241 1 1 143 . 1 1 1 A 16 16 ALA C C 22 175.978 174.915 1.063 1 1 144 . 1 1 1 A 16 16 ALA CA C 22 50.681 49.937 0.744 1 1 145 . 1 1 1 A 16 16 ALA CB C 22 18.728 21.969 -3.241 1 1 146 . 1 1 1 A 16 16 ALA N N 22 127.789 122.094 5.695 1 1 147 . 1 1 1 A 17 17 PRO HA H 23 4.430 4.596 -0.166 1 1 154 . 1 1 1 A 17 17 PRO CA C 23 61.497 62.473 -0.976 1 1 155 . 1 1 1 A 17 17 PRO CB C 23 31.775 32.626 -0.851 1 1 158 . 1 1 1 A 18 18 LEU H H 24 8.154 8.374 -0.220 1 1 159 . 1 1 1 A 18 18 LEU HA H 24 3.894 4.814 -0.920 1 1 169 . 1 1 1 A 18 18 LEU C C 24 176.447 176.493 -0.046 1 1 170 . 1 1 1 A 18 18 LEU CA C 24 55.510 53.353 2.157 1 1 171 . 1 1 1 A 18 18 LEU CB C 24 40.921 43.123 -2.202 1 1 175 . 1 1 1 A 18 18 LEU N N 24 121.010 121.276 -0.266 1 1 176 . 1 1 1 A 19 19 ASP H H 25 8.758 8.537 0.221 1 1 177 . 1 1 1 A 19 19 ASP HA H 25 4.626 4.508 0.118 1 1 180 . 1 1 1 A 19 19 ASP C C 25 176.425 176.443 -0.018 1 1 181 . 1 1 1 A 19 19 ASP CA C 25 52.688 55.128 -2.440 1 1 182 . 1 1 1 A 19 19 ASP CB C 25 42.819 40.757 2.062 1 1 183 . 1 1 1 A 19 19 ASP N N 25 124.654 120.114 4.540 1 1 184 . 1 1 1 A 20 20 HIS HA H 26 4.272 4.586 -0.314 1 1 189 . 1 1 1 A 20 20 HIS CA C 26 58.100 57.349 0.751 1 1 190 . 1 1 1 A 20 20 HIS CB C 26 29.200 30.573 -1.373 1 1 191 . 1 1 1 A 21 21 LYS H H 27 8.348 7.949 0.399 1 1 192 . 1 1 1 A 21 21 LYS HA H 27 3.970 4.008 -0.038 1 1 201 . 1 1 1 A 21 21 LYS C C 27 177.393 176.534 0.859 1 1 202 . 1 1 1 A 21 21 LYS CA C 27 56.320 59.213 -2.893 1 1 203 . 1 1 1 A 21 21 LYS CB C 27 30.950 32.161 -1.211 1 1 206 . 1 1 1 A 21 21 LYS N N 27 118.419 118.678 -0.259 1 1 207 . 1 1 1 A 22 22 ASP H H 28 7.451 8.112 -0.661 1 1 208 . 1 1 1 A 22 22 ASP HA H 28 4.307 4.404 -0.097 1 1 211 . 1 1 1 A 22 22 ASP C C 28 176.212 176.655 -0.443 1 1 212 . 1 1 1 A 22 22 ASP CA C 28 54.164 54.591 -0.427 1 1 213 . 1 1 1 A 22 22 ASP CB C 28 40.091 39.818 0.273 1 1 214 . 1 1 1 A 22 22 ASP N N 28 120.045 118.990 1.055 1 1 215 . 1 1 1 A 23 23 LYS H H 29 8.416 8.846 -0.430 1 1 216 . 1 1 1 A 23 23 LYS HA H 29 3.962 4.764 -0.802 1 1 225 . 1 1 1 A 23 23 LYS C C 29 177.409 176.716 0.693 1 1 226 . 1 1 1 A 23 23 LYS CA C 29 56.254 55.261 0.993 1 1 227 . 1 1 1 A 23 23 LYS CB C 29 31.950 33.363 -1.413 1 1 231 . 1 1 1 A 23 23 LYS N N 29 121.925 121.414 0.511 1 1 232 . 1 1 1 A 24 24 GLY H H 30 8.612 7.439 1.173 1 1 233 . 1 1 1 A 24 24 GLY HA2 H 30 3.655 4.151 -0.496 1 1 234 . 1 1 1 A 24 24 GLY HA3 H 30 3.519 4.163 -0.644 1 1 235 . 1 1 1 A 24 24 GLY CA C 30 44.788 46.166 -1.378 1 1 236 . 1 1 1 A 24 24 GLY N N 30 111.487 108.373 3.114 1 1 237 . 1 1 1 A 25 25 LEU H H 31 8.054 8.306 -0.252 1 1 238 . 1 1 1 A 25 25 LEU HA H 31 3.770 4.919 -1.149 1 1 248 . 1 1 1 A 25 25 LEU CA C 31 55.906 54.524 1.382 1 1 249 . 1 1 1 A 25 25 LEU CB C 31 44.428 45.213 -0.785 1 1 253 . 1 1 1 A 25 25 LEU N N 31 127.196 120.698 6.498 1 1 254 . 1 1 1 A 26 26 GLN H H 32 9.184 9.363 -0.179 1 1 255 . 1 1 1 A 26 26 GLN HA H 32 3.437 4.591 -1.154 1 1 262 . 1 1 1 A 26 26 GLN C C 32 174.347 174.384 -0.037 1 1 263 . 1 1 1 A 26 26 GLN CA C 32 57.926 55.487 2.439 1 1 264 . 1 1 1 A 26 26 GLN CB C 32 27.721 30.344 -2.623 1 1 266 . 1 1 1 A 26 26 GLN N N 32 131.782 124.708 7.074 1 1 268 . 1 1 1 A 27 27 SER H H 33 7.240 7.655 -0.415 1 1 269 . 1 1 1 A 27 27 SER HA H 33 4.981 4.893 0.088 1 1 272 . 1 1 1 A 27 27 SER C C 33 171.111 172.407 -1.296 1 1 273 . 1 1 1 A 27 27 SER CA C 33 56.782 57.544 -0.762 1 1 274 . 1 1 1 A 27 27 SER CB C 33 64.611 65.686 -1.075 1 1 275 . 1 1 1 A 27 27 SER N N 33 108.936 113.092 -4.156 1 1 276 . 1 1 1 A 28 28 LEU H H 34 8.010 8.742 -0.732 1 1 277 . 1 1 1 A 28 28 LEU HA H 34 4.372 5.005 -0.633 1 1 287 . 1 1 1 A 28 28 LEU C C 34 174.697 174.718 -0.021 1 1 288 . 1 1 1 A 28 28 LEU CA C 34 53.332 53.946 -0.614 1 1 289 . 1 1 1 A 28 28 LEU CB C 34 45.636 45.945 -0.309 1 1 293 . 1 1 1 A 28 28 LEU N N 34 121.826 121.754 0.072 1 1 294 . 1 1 1 A 29 29 THR H H 35 8.810 9.190 -0.380 1 1 295 . 1 1 1 A 29 29 THR HA H 35 4.046 4.365 -0.319 1 1 300 . 1 1 1 A 29 29 THR C C 35 172.792 174.425 -1.633 1 1 301 . 1 1 1 A 29 29 THR CA C 35 62.565 63.216 -0.651 1 1 302 . 1 1 1 A 29 29 THR CB C 35 68.233 69.569 -1.336 1 1 304 . 1 1 1 A 29 29 THR N N 35 123.892 120.573 3.319 1 1 305 . 1 1 1 A 30 30 LEU H H 36 8.662 8.663 -0.001 1 1 306 . 1 1 1 A 30 30 LEU HA H 36 4.150 4.736 -0.586 1 1 316 . 1 1 1 A 30 30 LEU C C 36 174.707 176.874 -2.167 1 1 317 . 1 1 1 A 30 30 LEU CA C 36 53.789 54.525 -0.736 1 1 318 . 1 1 1 A 30 30 LEU CB C 36 40.562 42.007 -1.445 1 1 322 . 1 1 1 A 30 30 LEU N N 36 128.365 125.279 3.086 1 1 323 . 1 1 1 A 31 31 ASP H H 37 8.500 8.095 0.405 1 1 324 . 1 1 1 A 31 31 ASP HA H 37 4.837 4.519 0.318 1 1 327 . 1 1 1 A 31 31 ASP CA C 37 54.657 55.884 -1.227 1 1 328 . 1 1 1 A 31 31 ASP CB C 37 43.089 40.568 2.521 1 1 329 . 1 1 1 A 31 31 ASP N N 37 123.194 121.293 1.901 1 1 330 . 1 1 1 A 32 32 GLN H H 38 10.453 7.877 2.576 1 1 331 . 1 1 1 A 32 32 GLN HA H 38 3.808 4.393 -0.585 1 1 338 . 1 1 1 A 32 32 GLN C C 38 178.535 176.858 1.677 1 1 339 . 1 1 1 A 32 32 GLN CA C 38 56.284 56.273 0.011 1 1 340 . 1 1 1 A 32 32 GLN CB C 38 28.175 30.442 -2.267 1 1 342 . 1 1 1 A 32 32 GLN N N 38 120.692 117.888 2.804 1 1 344 . 1 1 1 A 33 33 SER H H 39 8.523 8.072 0.451 1 1 345 . 1 1 1 A 33 33 SER HA H 39 4.081 4.116 -0.035 1 1 348 . 1 1 1 A 33 33 SER C C 39 171.792 173.482 -1.690 1 1 349 . 1 1 1 A 33 33 SER CA C 39 61.436 61.300 0.136 1 1 350 . 1 1 1 A 33 33 SER CB C 39 63.008 63.527 -0.519 1 1 351 . 1 1 1 A 33 33 SER N N 39 111.712 114.339 -2.627 1 1 352 . 1 1 1 A 34 34 VAL H H 40 6.691 7.539 -0.848 1 1 353 . 1 1 1 A 34 34 VAL HA H 40 3.890 4.567 -0.677 1 1 361 . 1 1 1 A 34 34 VAL C C 40 172.251 174.086 -1.835 1 1 362 . 1 1 1 A 34 34 VAL CA C 40 60.415 59.693 0.722 1 1 363 . 1 1 1 A 34 34 VAL CB C 40 32.306 35.435 -3.129 1 1 366 . 1 1 1 A 34 34 VAL N N 40 115.971 117.909 -1.938 1 1 367 . 1 1 1 A 35 35 ARG H H 41 8.184 8.550 -0.366 1 1 368 . 1 1 1 A 35 35 ARG HA H 41 4.176 4.173 0.003 1 1 375 . 1 1 1 A 35 35 ARG C C 41 176.886 177.690 -0.804 1 1 376 . 1 1 1 A 35 35 ARG CA C 41 55.599 57.437 -1.838 1 1 377 . 1 1 1 A 35 35 ARG CB C 41 30.569 30.595 -0.026 1 1 380 . 1 1 1 A 35 35 ARG N N 41 125.397 125.420 -0.023 1 1 381 . 1 1 1 A 36 36 LYS H H 42 8.493 8.861 -0.368 1 1 382 . 1 1 1 A 36 36 LYS HA H 42 3.778 4.087 -0.309 1 1 391 . 1 1 1 A 36 36 LYS C C 42 176.596 176.901 -0.305 1 1 392 . 1 1 1 A 36 36 LYS CA C 42 58.687 58.659 0.028 1 1 393 . 1 1 1 A 36 36 LYS CB C 42 31.959 32.133 -0.174 1 1 397 . 1 1 1 A 36 36 LYS N N 42 119.360 123.062 -3.702 1 1 398 . 1 1 1 A 37 37 ASN H H 43 8.513 7.672 0.841 1 1 399 . 1 1 1 A 37 37 ASN HA H 43 4.438 4.848 -0.410 1 1 404 . 1 1 1 A 37 37 ASN C C 43 173.867 175.267 -1.400 1 1 405 . 1 1 1 A 37 37 ASN CA C 43 55.127 53.170 1.957 1 1 406 . 1 1 1 A 37 37 ASN CB C 43 37.071 40.252 -3.181 1 1 407 . 1 1 1 A 37 37 ASN N N 43 115.488 115.467 0.021 1 1 409 . 1 1 1 A 38 38 GLU H H 44 7.793 7.675 0.118 1 1 410 . 1 1 1 A 38 38 GLU HA H 44 4.772 4.700 0.072 1 1 413 . 1 1 1 A 38 38 GLU C C 44 175.262 175.038 0.224 1 1 414 . 1 1 1 A 38 38 GLU CA C 44 54.808 54.662 0.146 1 1 415 . 1 1 1 A 38 38 GLU CB C 44 32.321 30.655 1.666 1 1 416 . 1 1 1 A 38 38 GLU N N 44 118.734 117.668 1.066 1 1 417 . 1 1 1 A 39 39 LYS H H 45 8.706 8.630 0.076 1 1 418 . 1 1 1 A 39 39 LYS HA H 45 4.606 4.763 -0.157 1 1 427 . 1 1 1 A 39 39 LYS C C 45 174.312 174.815 -0.503 1 1 428 . 1 1 1 A 39 39 LYS CA C 45 52.782 54.869 -2.087 1 1 429 . 1 1 1 A 39 39 LYS CB C 45 35.174 34.297 0.877 1 1 433 . 1 1 1 A 39 39 LYS N N 45 117.132 122.966 -5.834 1 1 434 . 1 1 1 A 40 40 LEU H H 46 9.085 9.024 0.061 1 1 435 . 1 1 1 A 40 40 LEU HA H 46 5.044 5.114 -0.070 1 1 442 . 1 1 1 A 40 40 LEU C C 46 173.778 174.229 -0.451 1 1 443 . 1 1 1 A 40 40 LEU CA C 46 52.590 52.928 -0.338 1 1 444 . 1 1 1 A 40 40 LEU CB C 46 44.855 44.962 -0.107 1 1 447 . 1 1 1 A 40 40 LEU N N 46 125.335 128.059 -2.724 1 1 448 . 1 1 1 A 41 41 LYS H H 47 9.263 9.012 0.251 1 1 449 . 1 1 1 A 41 41 LYS HA H 47 5.049 5.253 -0.204 1 1 458 . 1 1 1 A 41 41 LYS C C 47 175.616 174.671 0.945 1 1 459 . 1 1 1 A 41 41 LYS CA C 47 53.864 54.646 -0.782 1 1 460 . 1 1 1 A 41 41 LYS CB C 47 32.986 35.533 -2.547 1 1 464 . 1 1 1 A 41 41 LYS N N 47 129.833 128.304 1.529 1 1 465 . 1 1 1 A 42 42 LEU H H 48 8.954 9.339 -0.385 1 1 466 . 1 1 1 A 42 42 LEU HA H 48 5.458 5.300 0.158 1 1 476 . 1 1 1 A 42 42 LEU C C 48 175.565 174.905 0.660 1 1 477 . 1 1 1 A 42 42 LEU CA C 48 51.964 53.381 -1.417 1 1 478 . 1 1 1 A 42 42 LEU CB C 48 44.393 46.152 -1.759 1 1 482 . 1 1 1 A 42 42 LEU N N 48 126.292 127.541 -1.249 1 1 483 . 1 1 1 A 43 43 ALA H H 49 8.804 8.858 -0.054 1 1 484 . 1 1 1 A 43 43 ALA HA H 49 5.304 5.272 0.032 1 1 488 . 1 1 1 A 43 43 ALA C C 49 176.301 175.894 0.407 1 1 489 . 1 1 1 A 43 43 ALA CA C 49 51.004 51.422 -0.418 1 1 490 . 1 1 1 A 43 43 ALA CB C 49 23.453 23.613 -0.160 1 1 491 . 1 1 1 A 43 43 ALA N N 49 120.789 124.838 -4.049 1 1 492 . 1 1 1 A 44 44 ALA H H 50 8.117 8.611 -0.494 1 1 493 . 1 1 1 A 44 44 ALA HA H 50 4.485 4.633 -0.148 1 1 497 . 1 1 1 A 44 44 ALA C C 50 176.254 176.823 -0.569 1 1 498 . 1 1 1 A 44 44 ALA CA C 50 53.021 51.763 1.258 1 1 499 . 1 1 1 A 44 44 ALA CB C 50 23.682 22.060 1.622 1 1 500 . 1 1 1 A 44 44 ALA N N 50 120.678 120.017 0.661 1 1 501 . 1 1 1 A 45 45 GLN H H 51 9.035 9.409 -0.374 1 1 502 . 1 1 1 A 45 45 GLN HA H 51 3.774 3.947 -0.173 1 1 509 . 1 1 1 A 45 45 GLN C C 51 175.259 174.922 0.337 1 1 510 . 1 1 1 A 45 45 GLN CA C 51 56.074 56.736 -0.662 1 1 511 . 1 1 1 A 45 45 GLN CB C 51 27.339 27.693 -0.354 1 1 513 . 1 1 1 A 45 45 GLN N N 51 116.299 123.057 -6.758 1 1 515 . 1 1 1 A 46 46 GLY H H 52 8.441 8.481 -0.040 1 1 516 . 1 1 1 A 46 46 GLY HA2 H 52 4.066 3.794 0.272 1 1 517 . 1 1 1 A 46 46 GLY HA3 H 52 3.510 3.797 -0.287 1 1 518 . 1 1 1 A 46 46 GLY C C 52 173.050 173.612 -0.562 1 1 519 . 1 1 1 A 46 46 GLY CA C 52 44.998 45.270 -0.272 1 1 520 . 1 1 1 A 46 46 GLY N N 52 105.419 105.734 -0.315 1 1 521 . 1 1 1 A 47 47 ALA H H 53 8.152 7.597 0.555 1 1 522 . 1 1 1 A 47 47 ALA HA H 53 4.767 4.850 -0.083 1 1 526 . 1 1 1 A 47 47 ALA C C 53 175.989 175.524 0.465 1 1 527 . 1 1 1 A 47 47 ALA CA C 53 49.918 51.012 -1.094 1 1 528 . 1 1 1 A 47 47 ALA CB C 53 22.720 23.401 -0.681 1 1 529 . 1 1 1 A 47 47 ALA N N 53 124.355 121.441 2.914 1 1 530 . 1 1 1 A 48 48 GLU H H 54 8.156 9.138 -0.982 1 1 531 . 1 1 1 A 48 48 GLU HA H 54 5.488 5.470 0.018 1 1 536 . 1 1 1 A 48 48 GLU C C 54 174.224 173.970 0.254 1 1 537 . 1 1 1 A 48 48 GLU CA C 54 54.346 55.048 -0.702 1 1 538 . 1 1 1 A 48 48 GLU CB C 54 34.305 33.577 0.728 1 1 540 . 1 1 1 A 48 48 GLU N N 54 116.655 116.318 0.337 1 1 541 . 1 1 1 A 49 49 LYS H H 55 8.852 9.297 -0.445 1 1 542 . 1 1 1 A 49 49 LYS HA H 55 4.190 5.086 -0.896 1 1 549 . 1 1 1 A 49 49 LYS C C 55 172.887 175.003 -2.116 1 1 550 . 1 1 1 A 49 49 LYS CA C 55 56.414 55.010 1.404 1 1 551 . 1 1 1 A 49 49 LYS CB C 55 34.723 34.955 -0.232 1 1 554 . 1 1 1 A 49 49 LYS N N 55 122.922 124.269 -1.347 1 1 555 . 1 1 1 A 50 50 THR H H 56 7.910 8.948 -1.038 1 1 556 . 1 1 1 A 50 50 THR HA H 56 4.908 5.365 -0.457 1 1 561 . 1 1 1 A 50 50 THR C C 56 173.112 173.675 -0.563 1 1 562 . 1 1 1 A 50 50 THR CA C 56 61.998 61.315 0.683 1 1 563 . 1 1 1 A 50 50 THR CB C 56 68.596 70.840 -2.244 1 1 565 . 1 1 1 A 50 50 THR N N 56 120.811 121.872 -1.061 1 1 566 . 1 1 1 A 51 51 TYR H H 57 9.432 8.992 0.440 1 1 567 . 1 1 1 A 51 51 TYR HA H 57 4.493 5.262 -0.769 1 1 574 . 1 1 1 A 51 51 TYR C C 57 174.156 173.759 0.397 1 1 575 . 1 1 1 A 51 51 TYR CA C 57 57.375 56.038 1.337 1 1 576 . 1 1 1 A 51 51 TYR CB C 57 41.895 41.412 0.483 1 1 577 . 1 1 1 A 51 51 TYR N N 57 127.372 123.853 3.519 1 1 578 . 1 1 1 A 52 52 GLY H H 58 9.154 8.575 0.579 1 1 579 . 1 1 1 A 52 52 GLY HA2 H 58 3.543 4.080 -0.537 1 1 580 . 1 1 1 A 52 52 GLY HA3 H 58 3.543 4.141 -0.598 1 1 581 . 1 1 1 A 52 52 GLY C C 58 172.527 173.944 -1.417 1 1 582 . 1 1 1 A 52 52 GLY CA C 58 42.304 45.892 -3.588 1 1 583 . 1 1 1 A 52 52 GLY N N 58 108.920 106.626 2.294 1 1 584 . 1 1 1 A 53 53 ASN H H 59 8.877 8.898 -0.021 1 1 585 . 1 1 1 A 53 53 ASN HA H 59 4.034 4.680 -0.646 1 1 588 . 1 1 1 A 53 53 ASN C C 59 176.319 174.413 1.906 1 1 589 . 1 1 1 A 53 53 ASN CA C 59 57.108 54.932 2.176 1 1 590 . 1 1 1 A 53 53 ASN CB C 59 39.672 38.656 1.016 1 1 591 . 1 1 1 A 53 53 ASN N N 59 117.281 118.233 -0.952 1 1 592 . 1 1 1 A 54 54 GLY H H 60 8.949 7.724 1.225 1 1 593 . 1 1 1 A 54 54 GLY HA2 H 60 4.222 4.121 0.101 1 1 594 . 1 1 1 A 54 54 GLY HA3 H 60 3.348 4.136 -0.788 1 1 595 . 1 1 1 A 54 54 GLY C C 60 174.096 172.141 1.955 1 1 596 . 1 1 1 A 54 54 GLY CA C 60 44.931 45.739 -0.808 1 1 597 . 1 1 1 A 54 54 GLY N N 60 114.860 106.245 8.615 1 1 598 . 1 1 1 A 55 55 ASP H H 61 7.991 9.292 -1.301 1 1 599 . 1 1 1 A 55 55 ASP HA H 61 4.493 4.842 -0.349 1 1 602 . 1 1 1 A 55 55 ASP C C 61 174.727 174.357 0.370 1 1 603 . 1 1 1 A 55 55 ASP CA C 61 54.408 52.321 2.087 1 1 604 . 1 1 1 A 55 55 ASP CB C 61 41.780 42.289 -0.509 1 1 605 . 1 1 1 A 55 55 ASP N N 61 121.974 124.844 -2.870 1 1 606 . 1 1 1 A 56 56 SER H H 62 8.485 8.087 0.398 1 1 607 . 1 1 1 A 56 56 SER HA H 62 4.959 5.160 -0.201 1 1 610 . 1 1 1 A 56 56 SER C C 62 173.099 172.651 0.448 1 1 611 . 1 1 1 A 56 56 SER CA C 62 57.154 57.488 -0.334 1 1 612 . 1 1 1 A 56 56 SER CB C 62 64.522 65.803 -1.281 1 1 613 . 1 1 1 A 56 56 SER N N 62 113.088 115.120 -2.032 1 1 614 . 1 1 1 A 57 57 LEU H H 63 9.004 8.572 0.432 1 1 615 . 1 1 1 A 57 57 LEU HA H 63 4.500 4.757 -0.257 1 1 625 . 1 1 1 A 57 57 LEU C C 63 175.943 174.354 1.589 1 1 626 . 1 1 1 A 57 57 LEU CA C 63 53.070 54.067 -0.997 1 1 627 . 1 1 1 A 57 57 LEU CB C 63 43.800 45.788 -1.988 1 1 630 . 1 1 1 A 57 57 LEU N N 63 126.423 122.856 3.567 1 1 631 . 1 1 1 A 58 58 ASN H H 64 8.484 8.680 -0.196 1 1 632 . 1 1 1 A 58 58 ASN HA H 64 4.752 5.237 -0.485 1 1 635 . 1 1 1 A 58 58 ASN C C 64 173.916 176.249 -2.333 1 1 636 . 1 1 1 A 58 58 ASN CA C 64 50.587 52.346 -1.759 1 1 637 . 1 1 1 A 58 58 ASN CB C 64 35.153 40.447 -5.294 1 1 638 . 1 1 1 A 58 58 ASN N N 64 125.624 124.465 1.159 1 1 639 . 1 1 1 A 59 59 THR H H 65 7.747 8.471 -0.724 1 1 640 . 1 1 1 A 59 59 THR HA H 65 4.770 4.711 0.059 1 1 645 . 1 1 1 A 59 59 THR C C 65 177.245 175.810 1.435 1 1 646 . 1 1 1 A 59 59 THR CA C 65 63.213 61.588 1.625 1 1 647 . 1 1 1 A 59 59 THR CB C 65 63.510 70.924 -7.414 1 1 649 . 1 1 1 A 59 59 THR N N 65 113.770 113.123 0.647 1 1 650 . 1 1 1 A 60 60 GLY H H 66 8.869 8.306 0.563 1 1 651 . 1 1 1 A 60 60 GLY HA2 H 66 3.839 3.768 0.071 1 1 652 . 1 1 1 A 60 60 GLY HA3 H 66 3.724 3.771 -0.047 1 1 653 . 1 1 1 A 60 60 GLY C C 66 173.279 175.605 -2.326 1 1 654 . 1 1 1 A 60 60 GLY CA C 66 44.892 47.275 -2.383 1 1 655 . 1 1 1 A 60 60 GLY N N 66 114.430 111.699 2.731 1 1 656 . 1 1 1 A 61 61 LYS H H 67 6.376 7.995 -1.619 1 1 657 . 1 1 1 A 61 61 LYS HA H 67 4.021 4.494 -0.473 1 1 666 . 1 1 1 A 61 61 LYS C C 67 176.315 175.901 0.414 1 1 667 . 1 1 1 A 61 61 LYS CA C 67 54.298 55.642 -1.344 1 1 668 . 1 1 1 A 61 61 LYS CB C 67 32.200 31.800 0.400 1 1 672 . 1 1 1 A 61 61 LYS N N 67 112.620 122.228 -9.608 1 1 673 . 1 1 1 A 62 62 LEU H H 68 7.335 6.975 0.360 1 1 674 . 1 1 1 A 62 62 LEU HA H 68 4.275 4.662 -0.387 1 1 684 . 1 1 1 A 62 62 LEU C C 68 176.306 176.316 -0.010 1 1 685 . 1 1 1 A 62 62 LEU CA C 68 52.479 53.300 -0.821 1 1 686 . 1 1 1 A 62 62 LEU CB C 68 40.600 43.103 -2.503 1 1 689 . 1 1 1 A 62 62 LEU N N 68 116.704 121.306 -4.602 1 1 690 . 1 1 1 A 63 63 LYS H H 69 8.506 8.222 0.284 1 1 691 . 1 1 1 A 63 63 LYS HA H 69 3.992 4.295 -0.303 1 1 700 . 1 1 1 A 63 63 LYS C C 69 175.886 176.720 -0.834 1 1 701 . 1 1 1 A 63 63 LYS CA C 69 54.986 56.238 -1.252 1 1 702 . 1 1 1 A 63 63 LYS CB C 69 32.447 33.068 -0.621 1 1 706 . 1 1 1 A 63 63 LYS N N 69 119.841 120.787 -0.946 1 1 707 . 1 1 1 A 64 64 ASN H H 70 8.080 8.766 -0.686 1 1 708 . 1 1 1 A 64 64 ASN HA H 70 3.839 4.937 -1.098 1 1 713 . 1 1 1 A 64 64 ASN C C 70 174.449 174.897 -0.448 1 1 714 . 1 1 1 A 64 64 ASN CA C 70 54.417 52.512 1.905 1 1 715 . 1 1 1 A 64 64 ASN CB C 70 38.129 39.996 -1.867 1 1 716 . 1 1 1 A 64 64 ASN N N 70 121.515 122.085 -0.570 1 1 718 . 1 1 1 A 65 65 ASP H H 71 9.218 8.802 0.416 1 1 719 . 1 1 1 A 65 65 ASP HA H 71 3.690 4.206 -0.516 1 1 722 . 1 1 1 A 65 65 ASP C C 71 173.016 174.940 -1.924 1 1 723 . 1 1 1 A 65 65 ASP CA C 71 54.726 55.220 -0.494 1 1 724 . 1 1 1 A 65 65 ASP CB C 71 38.534 39.500 -0.966 1 1 725 . 1 1 1 A 65 65 ASP N N 71 113.370 117.110 -3.740 1 1 726 . 1 1 1 A 66 66 LYS H H 72 6.443 7.730 -1.287 1 1 727 . 1 1 1 A 66 66 LYS HA H 72 4.411 4.808 -0.397 1 1 734 . 1 1 1 A 66 66 LYS C C 72 174.745 174.350 0.395 1 1 735 . 1 1 1 A 66 66 LYS CA C 72 53.094 54.518 -1.424 1 1 736 . 1 1 1 A 66 66 LYS CB C 72 36.099 35.557 0.542 1 1 739 . 1 1 1 A 66 66 LYS N N 72 113.415 113.863 -0.448 1 1 740 . 1 1 1 A 67 67 VAL H H 73 8.679 8.481 0.198 1 1 741 . 1 1 1 A 67 67 VAL HA H 73 4.189 4.168 0.021 1 1 749 . 1 1 1 A 67 67 VAL C C 73 176.630 174.692 1.938 1 1 750 . 1 1 1 A 67 67 VAL CA C 73 62.135 60.724 1.411 1 1 751 . 1 1 1 A 67 67 VAL CB C 73 32.001 33.252 -1.251 1 1 753 . 1 1 1 A 67 67 VAL N N 73 122.098 122.553 -0.455 1 1 754 . 1 1 1 A 68 68 SER H H 74 9.497 9.039 0.458 1 1 755 . 1 1 1 A 68 68 SER HA H 74 4.507 4.966 -0.459 1 1 758 . 1 1 1 A 68 68 SER C C 74 172.249 173.907 -1.658 1 1 759 . 1 1 1 A 68 68 SER CA C 74 58.323 57.682 0.641 1 1 760 . 1 1 1 A 68 68 SER CB C 74 64.028 64.742 -0.714 1 1 761 . 1 1 1 A 68 68 SER N N 74 127.048 123.918 3.130 1 1 762 . 1 1 1 A 69 69 ARG H H 75 7.848 8.636 -0.788 1 1 763 . 1 1 1 A 69 69 ARG HA H 75 5.031 5.196 -0.165 1 1 770 . 1 1 1 A 69 69 ARG C C 75 173.300 175.326 -2.026 1 1 771 . 1 1 1 A 69 69 ARG CA C 75 55.337 54.680 0.657 1 1 772 . 1 1 1 A 69 69 ARG CB C 75 31.871 32.283 -0.412 1 1 775 . 1 1 1 A 69 69 ARG N N 75 122.621 121.235 1.386 1 1 776 . 1 1 1 A 70 70 PHE H H 76 9.246 8.998 0.248 1 1 777 . 1 1 1 A 70 70 PHE HA H 76 4.808 4.967 -0.159 1 1 784 . 1 1 1 A 70 70 PHE C C 76 175.788 174.172 1.616 1 1 785 . 1 1 1 A 70 70 PHE CA C 76 55.245 56.685 -1.440 1 1 786 . 1 1 1 A 70 70 PHE CB C 76 43.645 43.460 0.185 1 1 787 . 1 1 1 A 70 70 PHE N N 76 118.087 120.247 -2.160 1 1 788 . 1 1 1 A 71 71 ASP H H 77 9.144 8.870 0.274 1 1 789 . 1 1 1 A 71 71 ASP HA H 77 5.360 5.229 0.131 1 1 792 . 1 1 1 A 71 71 ASP C C 77 176.477 175.757 0.720 1 1 793 . 1 1 1 A 71 71 ASP CA C 77 55.131 53.564 1.567 1 1 794 . 1 1 1 A 71 71 ASP CB C 77 41.301 42.402 -1.101 1 1 795 . 1 1 1 A 71 71 ASP N N 77 123.565 123.356 0.209 1 1 796 . 1 1 1 A 72 72 PHE H H 78 9.094 8.265 0.829 1 1 797 . 1 1 1 A 72 72 PHE HA H 78 6.431 5.524 0.907 1 1 805 . 1 1 1 A 72 72 PHE C C 78 174.014 172.217 1.797 1 1 806 . 1 1 1 A 72 72 PHE CA C 78 54.934 55.840 -0.906 1 1 807 . 1 1 1 A 72 72 PHE CB C 78 42.491 43.124 -0.633 1 1 808 . 1 1 1 A 72 72 PHE N N 78 119.663 120.378 -0.715 1 1 809 . 1 1 1 A 73 73 ILE H H 79 8.623 8.970 -0.347 1 1 810 . 1 1 1 A 73 73 ILE HA H 79 4.334 4.604 -0.270 1 1 820 . 1 1 1 A 73 73 ILE C C 79 173.961 173.772 0.189 1 1 821 . 1 1 1 A 73 73 ILE CA C 79 61.222 59.651 1.571 1 1 822 . 1 1 1 A 73 73 ILE CB C 79 41.918 42.077 -0.159 1 1 826 . 1 1 1 A 73 73 ILE N N 79 119.750 120.836 -1.086 1 1 827 . 1 1 1 A 74 74 ARG H H 80 9.052 8.931 0.121 1 1 828 . 1 1 1 A 74 74 ARG HA H 80 5.311 5.140 0.171 1 1 835 . 1 1 1 A 74 74 ARG C C 80 174.870 174.904 -0.034 1 1 836 . 1 1 1 A 74 74 ARG CA C 80 54.449 55.187 -0.738 1 1 837 . 1 1 1 A 74 74 ARG CB C 80 33.740 31.750 1.990 1 1 840 . 1 1 1 A 74 74 ARG N N 80 128.407 127.324 1.083 1 1 841 . 1 1 1 A 75 75 GLN H H 81 9.304 9.133 0.171 1 1 842 . 1 1 1 A 75 75 GLN HA H 81 5.562 5.103 0.459 1 1 849 . 1 1 1 A 75 75 GLN C C 81 173.678 173.530 0.148 1 1 850 . 1 1 1 A 75 75 GLN CA C 81 53.745 53.794 -0.049 1 1 851 . 1 1 1 A 75 75 GLN CB C 81 34.013 33.007 1.006 1 1 853 . 1 1 1 A 75 75 GLN N N 81 125.481 120.168 5.313 1 1 855 . 1 1 1 A 76 76 ILE H H 82 8.592 8.830 -0.238 1 1 856 . 1 1 1 A 76 76 ILE HA H 82 4.576 4.916 -0.340 1 1 866 . 1 1 1 A 76 76 ILE C C 82 172.511 173.106 -0.595 1 1 867 . 1 1 1 A 76 76 ILE CA C 82 59.622 58.925 0.697 1 1 868 . 1 1 1 A 76 76 ILE CB C 82 42.248 41.996 0.252 1 1 872 . 1 1 1 A 76 76 ILE N N 82 115.536 120.919 -5.383 1 1 873 . 1 1 1 A 77 77 GLU H H 83 8.433 8.520 -0.087 1 1 874 . 1 1 1 A 77 77 GLU HA H 83 4.936 4.908 0.028 1 1 879 . 1 1 1 A 77 77 GLU C C 83 175.614 175.957 -0.343 1 1 880 . 1 1 1 A 77 77 GLU CA C 83 54.812 55.723 -0.911 1 1 881 . 1 1 1 A 77 77 GLU CB C 83 30.465 31.349 -0.884 1 1 883 . 1 1 1 A 77 77 GLU N N 83 124.858 126.518 -1.660 1 1 884 . 1 1 1 A 78 78 VAL H H 84 8.879 8.895 -0.016 1 1 885 . 1 1 1 A 78 78 VAL HA H 84 4.076 4.637 -0.561 1 1 893 . 1 1 1 A 78 78 VAL C C 84 175.694 174.723 0.971 1 1 894 . 1 1 1 A 78 78 VAL CA C 84 61.382 60.526 0.856 1 1 895 . 1 1 1 A 78 78 VAL CB C 84 34.014 33.966 0.048 1 1 897 . 1 1 1 A 78 78 VAL N N 84 126.973 121.471 5.502 1 1 898 . 1 1 1 A 79 79 ASP H H 85 9.329 9.578 -0.249 1 1 899 . 1 1 1 A 79 79 ASP HA H 85 4.156 4.351 -0.195 1 1 902 . 1 1 1 A 79 79 ASP C C 85 175.774 176.278 -0.504 1 1 903 . 1 1 1 A 79 79 ASP CA C 85 55.125 55.705 -0.580 1 1 904 . 1 1 1 A 79 79 ASP CB C 85 38.926 39.567 -0.641 1 1 905 . 1 1 1 A 79 79 ASP N N 85 129.387 123.923 5.464 1 1 906 . 1 1 1 A 80 80 GLY H H 86 8.575 8.527 0.048 1 1 907 . 1 1 1 A 80 80 GLY HA2 H 86 3.992 3.839 0.153 1 1 908 . 1 1 1 A 80 80 GLY HA3 H 86 3.507 3.840 -0.333 1 1 909 . 1 1 1 A 80 80 GLY C C 86 173.366 173.722 -0.356 1 1 910 . 1 1 1 A 80 80 GLY CA C 86 44.759 45.323 -0.564 1 1 911 . 1 1 1 A 80 80 GLY N N 86 103.293 104.271 -0.978 1 1 912 . 1 1 1 A 81 81 GLN H H 87 7.751 7.956 -0.205 1 1 913 . 1 1 1 A 81 81 GLN HA H 87 4.482 4.668 -0.186 1 1 918 . 1 1 1 A 81 81 GLN C C 87 173.874 174.022 -0.148 1 1 919 . 1 1 1 A 81 81 GLN CA C 87 53.328 54.463 -1.135 1 1 920 . 1 1 1 A 81 81 GLN CB C 87 30.670 30.937 -0.267 1 1 922 . 1 1 1 A 81 81 GLN N N 87 119.688 119.690 -0.002 1 1 923 . 1 1 1 A 82 82 LEU H H 88 8.418 8.759 -0.341 1 1 924 . 1 1 1 A 82 82 LEU HA H 88 4.630 5.106 -0.476 1 1 934 . 1 1 1 A 82 82 LEU C C 88 176.289 174.925 1.364 1 1 935 . 1 1 1 A 82 82 LEU CA C 88 53.834 53.584 0.250 1 1 936 . 1 1 1 A 82 82 LEU CB C 88 41.737 44.698 -2.961 1 1 940 . 1 1 1 A 82 82 LEU N N 88 123.523 125.007 -1.484 1 1 941 . 1 1 1 A 83 83 ILE H H 89 9.146 8.696 0.450 1 1 942 . 1 1 1 A 83 83 ILE HA H 89 4.249 4.847 -0.598 1 1 952 . 1 1 1 A 83 83 ILE C C 89 175.698 174.625 1.073 1 1 953 . 1 1 1 A 83 83 ILE CA C 89 59.363 59.657 -0.294 1 1 954 . 1 1 1 A 83 83 ILE CB C 89 39.633 40.914 -1.281 1 1 958 . 1 1 1 A 83 83 ILE N N 89 127.151 128.125 -0.974 1 1 959 . 1 1 1 A 84 84 THR H H 90 8.656 8.493 0.163 1 1 960 . 1 1 1 A 84 84 THR HA H 90 4.203 4.561 -0.358 1 1 965 . 1 1 1 A 84 84 THR C C 90 172.890 174.805 -1.915 1 1 966 . 1 1 1 A 84 84 THR CA C 90 62.641 61.370 1.271 1 1 967 . 1 1 1 A 84 84 THR CB C 90 68.634 67.981 0.653 1 1 969 . 1 1 1 A 84 84 THR N N 90 123.099 119.491 3.608 1 1 970 . 1 1 1 A 85 85 LEU H H 91 8.967 7.967 1.000 1 1 971 . 1 1 1 A 85 85 LEU HA H 91 4.256 4.172 0.084 1 1 980 . 1 1 1 A 85 85 LEU C C 91 177.371 176.226 1.145 1 1 981 . 1 1 1 A 85 85 LEU CA C 91 55.527 57.343 -1.816 1 1 982 . 1 1 1 A 85 85 LEU CB C 91 44.315 42.731 1.584 1 1 984 . 1 1 1 A 85 85 LEU N N 91 125.333 126.052 -0.719 1 1 985 . 1 1 1 A 86 86 GLU H H 92 7.503 7.612 -0.109 1 1 986 . 1 1 1 A 86 86 GLU HA H 92 5.026 4.702 0.324 1 1 991 . 1 1 1 A 86 86 GLU C C 92 172.723 174.028 -1.305 1 1 992 . 1 1 1 A 86 86 GLU CA C 92 54.670 55.277 -0.607 1 1 993 . 1 1 1 A 86 86 GLU CB C 92 33.717 33.258 0.459 1 1 995 . 1 1 1 A 86 86 GLU N N 92 116.655 117.134 -0.479 1 1 996 . 1 1 1 A 87 87 SER H H 93 8.954 8.662 0.292 1 1 997 . 1 1 1 A 87 87 SER HA H 93 4.245 4.982 -0.737 1 1 1000 . 1 1 1 A 87 87 SER C C 93 172.763 173.063 -0.300 1 1 1001 . 1 1 1 A 87 87 SER CA C 93 57.328 56.017 1.311 1 1 1002 . 1 1 1 A 87 87 SER CB C 93 65.493 66.065 -0.572 1 1 1003 . 1 1 1 A 87 87 SER N N 93 117.941 118.946 -1.005 1 1 1004 . 1 1 1 A 88 88 GLY H H 94 6.932 7.239 -0.307 1 1 1005 . 1 1 1 A 88 88 GLY HA2 H 94 3.694 4.162 -0.468 1 1 1006 . 1 1 1 A 88 88 GLY HA3 H 94 3.694 4.180 -0.486 1 1 1007 . 1 1 1 A 88 88 GLY C C 94 171.117 171.687 -0.570 1 1 1008 . 1 1 1 A 88 88 GLY CA C 94 46.575 45.957 0.618 1 1 1009 . 1 1 1 A 88 88 GLY N N 94 108.625 110.919 -2.294 1 1 1010 . 1 1 1 A 89 89 GLU H H 95 9.669 8.717 0.952 1 1 1011 . 1 1 1 A 89 89 GLU HA H 95 5.642 5.245 0.397 1 1 1016 . 1 1 1 A 89 89 GLU C C 95 173.226 175.448 -2.222 1 1 1017 . 1 1 1 A 89 89 GLU CA C 95 54.786 55.533 -0.747 1 1 1018 . 1 1 1 A 89 89 GLU CB C 95 34.334 31.412 2.922 1 1 1020 . 1 1 1 A 89 89 GLU N N 95 128.231 121.699 6.532 1 1 1021 . 1 1 1 A 90 90 PHE H H 96 10.365 9.121 1.244 1 1 1022 . 1 1 1 A 90 90 PHE HA H 96 5.048 4.481 0.567 1 1 1029 . 1 1 1 A 90 90 PHE C C 96 173.039 173.986 -0.947 1 1 1030 . 1 1 1 A 90 90 PHE CA C 96 54.616 56.605 -1.989 1 1 1031 . 1 1 1 A 90 90 PHE CB C 96 42.090 39.314 2.776 1 1 1032 . 1 1 1 A 90 90 PHE N N 96 131.583 129.304 2.279 1 1 1033 . 1 1 1 A 91 91 GLN H H 97 8.685 8.373 0.312 1 1 1034 . 1 1 1 A 91 91 GLN HA H 97 4.959 4.669 0.290 1 1 1041 . 1 1 1 A 91 91 GLN C C 97 174.151 174.725 -0.574 1 1 1042 . 1 1 1 A 91 91 GLN CA C 97 53.174 54.821 -1.647 1 1 1043 . 1 1 1 A 91 91 GLN CB C 97 28.812 30.044 -1.232 1 1 1045 . 1 1 1 A 91 91 GLN N N 97 126.465 127.937 -1.472 1 1 1047 . 1 1 1 A 92 92 VAL H H 98 8.675 9.080 -0.405 1 1 1048 . 1 1 1 A 92 92 VAL HA H 98 4.569 4.370 0.199 1 1 1056 . 1 1 1 A 92 92 VAL C C 98 173.802 174.105 -0.303 1 1 1057 . 1 1 1 A 92 92 VAL CA C 98 59.715 61.148 -1.433 1 1 1058 . 1 1 1 A 92 92 VAL CB C 98 35.074 32.698 2.376 1 1 1061 . 1 1 1 A 92 92 VAL N N 98 118.841 126.822 -7.981 1 1 1062 . 1 1 1 A 93 93 TYR H H 99 8.896 9.114 -0.218 1 1 1063 . 1 1 1 A 93 93 TYR HA H 99 4.940 4.780 0.160 1 1 1070 . 1 1 1 A 93 93 TYR C C 99 173.330 174.156 -0.826 1 1 1071 . 1 1 1 A 93 93 TYR CA C 99 56.948 56.898 0.050 1 1 1072 . 1 1 1 A 93 93 TYR CB C 99 40.780 39.652 1.128 1 1 1073 . 1 1 1 A 93 93 TYR N N 99 127.563 128.389 -0.826 1 1 1074 . 1 1 1 A 94 94 LYS H H 100 5.813 9.325 -3.512 1 1 1075 . 1 1 1 A 94 94 LYS HA H 100 4.248 4.953 -0.705 1 1 1082 . 1 1 1 A 94 94 LYS CA C 100 55.660 54.886 0.774 1 1 1083 . 1 1 1 A 94 94 LYS CB C 100 35.870 35.070 0.800 1 1 1084 . 1 1 1 A 94 94 LYS N N 100 128.378 126.076 2.302 1 1 1085 . 1 1 1 A 95 95 GLN H H 101 8.438 8.774 -0.336 1 1 1086 . 1 1 1 A 95 95 GLN HA H 101 5.028 4.797 0.231 1 1 1091 . 1 1 1 A 95 95 GLN C C 101 174.080 175.662 -1.582 1 1 1092 . 1 1 1 A 95 95 GLN CA C 101 54.043 53.925 0.118 1 1 1093 . 1 1 1 A 95 95 GLN CB C 101 27.209 32.171 -4.962 1 1 1095 . 1 1 1 A 95 95 GLN N N 101 125.809 125.406 0.403 1 1 1096 . 1 1 1 A 96 96 SER H H 102 9.057 8.552 0.505 1 1 1097 . 1 1 1 A 96 96 SER HA H 102 3.041 4.077 -1.036 1 1 1100 . 1 1 1 A 96 96 SER CA C 102 62.985 59.853 3.132 1 1 1101 . 1 1 1 A 96 96 SER CB C 102 63.242 62.741 0.501 1 1 1102 . 1 1 1 A 96 96 SER N N 102 117.650 117.188 0.462 1 1 1103 . 1 1 1 A 97 97 HIS H H 103 10.115 8.144 1.971 1 1 1104 . 1 1 1 A 97 97 HIS HA H 103 4.406 4.134 0.272 1 1 1109 . 1 1 1 A 97 97 HIS CA C 103 53.809 57.522 -3.713 1 1 1110 . 1 1 1 A 97 97 HIS CB C 103 30.329 27.691 2.638 1 1 1111 . 1 1 1 A 97 97 HIS N N 103 118.385 118.579 -0.194 1 1 1112 . 1 1 1 A 98 98 SER H H 104 7.241 7.581 -0.340 1 1 1113 . 1 1 1 A 98 98 SER HA H 104 4.406 5.068 -0.662 1 1 1116 . 1 1 1 A 98 98 SER CA C 104 56.712 57.089 -0.377 1 1 1117 . 1 1 1 A 98 98 SER CB C 104 65.461 66.228 -0.767 1 1 1118 . 1 1 1 A 98 98 SER N N 104 112.298 111.652 0.646 1 1 1119 . 1 1 1 A 99 99 ALA H H 105 8.418 8.358 0.060 1 1 1120 . 1 1 1 A 99 99 ALA HA H 105 4.753 4.973 -0.220 1 1 1124 . 1 1 1 A 99 99 ALA C C 105 173.181 176.045 -2.864 1 1 1125 . 1 1 1 A 99 99 ALA CA C 105 51.363 51.540 -0.177 1 1 1126 . 1 1 1 A 99 99 ALA CB C 105 22.271 23.512 -1.241 1 1 1127 . 1 1 1 A 99 99 ALA N N 105 116.790 121.492 -4.702 1 1 1128 . 1 1 1 A 100 100 LEU H H 106 8.376 8.429 -0.053 1 1 1129 . 1 1 1 A 100 100 LEU HA H 106 5.549 5.301 0.248 1 1 1139 . 1 1 1 A 100 100 LEU C C 106 175.338 174.958 0.380 1 1 1140 . 1 1 1 A 100 100 LEU CA C 106 53.753 53.432 0.321 1 1 1141 . 1 1 1 A 100 100 LEU CB C 106 46.393 46.206 0.187 1 1 1145 . 1 1 1 A 100 100 LEU N N 106 115.214 117.009 -1.795 1 1 1146 . 1 1 1 A 101 101 THR H H 107 8.685 8.384 0.301 1 1 1147 . 1 1 1 A 101 101 THR HA H 107 5.287 4.993 0.294 1 1 1152 . 1 1 1 A 101 101 THR C C 107 172.493 173.176 -0.683 1 1 1153 . 1 1 1 A 101 101 THR CA C 107 57.069 59.675 -2.606 1 1 1154 . 1 1 1 A 101 101 THR CB C 107 71.308 71.478 -0.170 1 1 1156 . 1 1 1 A 101 101 THR N N 107 109.441 116.224 -6.783 1 1 1157 . 1 1 1 A 102 102 ALA H H 108 8.459 8.335 0.124 1 1 1158 . 1 1 1 A 102 102 ALA HA H 108 4.366 5.250 -0.884 1 1 1162 . 1 1 1 A 102 102 ALA C C 108 173.439 176.036 -2.597 1 1 1163 . 1 1 1 A 102 102 ALA CA C 108 51.015 50.501 0.514 1 1 1164 . 1 1 1 A 102 102 ALA CB C 108 23.424 23.668 -0.244 1 1 1165 . 1 1 1 A 102 102 ALA N N 108 120.716 126.683 -5.967 1 1 1166 . 1 1 1 A 103 103 PHE H H 109 8.510 8.907 -0.397 1 1 1167 . 1 1 1 A 103 103 PHE HA H 109 4.715 5.162 -0.447 1 1 1175 . 1 1 1 A 103 103 PHE C C 109 174.173 174.996 -0.823 1 1 1176 . 1 1 1 A 103 103 PHE CA C 109 56.640 56.266 0.374 1 1 1177 . 1 1 1 A 103 103 PHE CB C 109 41.926 41.831 0.095 1 1 1178 . 1 1 1 A 103 103 PHE N N 109 115.041 118.559 -3.518 1 1 1179 . 1 1 1 A 104 104 GLN H H 110 9.832 8.968 0.864 1 1 1180 . 1 1 1 A 104 104 GLN HA H 110 5.226 4.926 0.300 1 1 1187 . 1 1 1 A 104 104 GLN C C 110 175.186 174.556 0.630 1 1 1188 . 1 1 1 A 104 104 GLN CA C 110 53.213 54.941 -1.728 1 1 1189 . 1 1 1 A 104 104 GLN CB C 110 29.161 28.977 0.184 1 1 1191 . 1 1 1 A 104 104 GLN N N 110 124.526 122.230 2.296 1 1 1193 . 1 1 1 A 105 105 THR H H 111 9.566 8.977 0.589 1 1 1194 . 1 1 1 A 105 105 THR HA H 111 4.186 4.660 -0.474 1 1 1199 . 1 1 1 A 105 105 THR C C 111 174.538 173.741 0.797 1 1 1200 . 1 1 1 A 105 105 THR CA C 111 66.408 62.183 4.225 1 1 1201 . 1 1 1 A 105 105 THR CB C 111 69.385 69.681 -0.296 1 1 1203 . 1 1 1 A 105 105 THR N N 111 126.760 120.922 5.838 1 1 1204 . 1 1 1 A 106 106 GLU H H 112 9.303 9.120 0.183 1 1 1205 . 1 1 1 A 106 106 GLU HA H 112 4.811 4.899 -0.088 1 1 1210 . 1 1 1 A 106 106 GLU C C 112 177.397 175.619 1.778 1 1 1211 . 1 1 1 A 106 106 GLU CA C 112 56.227 57.319 -1.092 1 1 1212 . 1 1 1 A 106 106 GLU CB C 112 31.283 32.483 -1.200 1 1 1214 . 1 1 1 A 106 106 GLU N N 112 121.685 125.575 -3.890 1 1 1215 . 1 1 1 A 107 107 GLN H H 113 7.954 7.552 0.402 1 1 1216 . 1 1 1 A 107 107 GLN HA H 113 5.233 4.854 0.379 1 1 1221 . 1 1 1 A 107 107 GLN C C 113 173.999 175.537 -1.538 1 1 1222 . 1 1 1 A 107 107 GLN CA C 113 53.837 55.405 -1.568 1 1 1223 . 1 1 1 A 107 107 GLN CB C 113 32.543 29.017 3.526 1 1 1225 . 1 1 1 A 107 107 GLN N N 113 117.612 117.664 -0.052 1 1 1226 . 1 1 1 A 108 108 ILE H H 114 8.969 8.986 -0.017 1 1 1227 . 1 1 1 A 108 108 ILE HA H 114 4.907 4.824 0.083 1 1 1237 . 1 1 1 A 108 108 ILE C C 114 174.089 174.435 -0.346 1 1 1238 . 1 1 1 A 108 108 ILE CA C 114 58.954 58.898 0.056 1 1 1239 . 1 1 1 A 108 108 ILE CB C 114 42.799 42.011 0.788 1 1 1243 . 1 1 1 A 108 108 ILE N N 114 115.049 118.821 -3.772 1 1 1244 . 1 1 1 A 109 109 GLN H H 115 7.421 8.216 -0.795 1 1 1245 . 1 1 1 A 109 109 GLN HA H 115 4.405 4.575 -0.170 1 1 1252 . 1 1 1 A 109 109 GLN C C 115 175.654 175.313 0.341 1 1 1253 . 1 1 1 A 109 109 GLN CA C 115 56.086 55.873 0.213 1 1 1254 . 1 1 1 A 109 109 GLN CB C 115 28.483 29.587 -1.104 1 1 1256 . 1 1 1 A 109 109 GLN N N 115 121.959 121.745 0.214 1 1 1258 . 1 1 1 A 110 110 ASP H H 116 8.569 8.234 0.335 1 1 1259 . 1 1 1 A 110 110 ASP HA H 116 4.377 4.904 -0.527 1 1 1262 . 1 1 1 A 110 110 ASP C C 116 176.662 176.024 0.638 1 1 1263 . 1 1 1 A 110 110 ASP CA C 116 53.511 53.972 -0.461 1 1 1264 . 1 1 1 A 110 110 ASP CB C 116 41.187 41.860 -0.673 1 1 1265 . 1 1 1 A 110 110 ASP N N 116 125.621 122.774 2.847 1 1 1266 . 1 1 1 A 111 111 SER H H 117 8.445 8.825 -0.380 1 1 1267 . 1 1 1 A 111 111 SER HA H 117 4.024 4.582 -0.558 1 1 1270 . 1 1 1 A 111 111 SER C C 117 174.783 174.389 0.394 1 1 1271 . 1 1 1 A 111 111 SER CA C 117 60.782 57.887 2.895 1 1 1272 . 1 1 1 A 111 111 SER CB C 117 62.560 61.227 1.333 1 1 1273 . 1 1 1 A 111 111 SER N N 117 120.732 120.754 -0.022 1 1 1274 . 1 1 1 A 112 112 GLU H H 118 8.246 8.260 -0.014 1 1 1275 . 1 1 1 A 112 112 GLU HA H 118 4.044 4.607 -0.563 1 1 1280 . 1 1 1 A 112 112 GLU C C 118 175.899 176.739 -0.840 1 1 1281 . 1 1 1 A 112 112 GLU CA C 118 56.016 56.599 -0.583 1 1 1282 . 1 1 1 A 112 112 GLU CB C 118 29.853 32.138 -2.285 1 1 1284 . 1 1 1 A 112 112 GLU N N 118 119.367 119.384 -0.017 1 1 1285 . 1 1 1 A 113 113 HIS H H 119 7.418 7.912 -0.494 1 1 1286 . 1 1 1 A 113 113 HIS HA H 119 4.607 4.744 -0.137 1 1 1291 . 1 1 1 A 113 113 HIS C C 119 173.527 175.206 -1.679 1 1 1292 . 1 1 1 A 113 113 HIS CA C 119 54.515 55.903 -1.388 1 1 1293 . 1 1 1 A 113 113 HIS CB C 119 28.667 30.306 -1.639 1 1 1294 . 1 1 1 A 113 113 HIS N N 119 117.287 119.524 -2.237 1 1 1295 . 1 1 1 A 114 114 SER H H 120 8.398 8.294 0.104 1 1 1296 . 1 1 1 A 114 114 SER HA H 120 4.183 4.166 0.017 1 1 1299 . 1 1 1 A 114 114 SER C C 120 175.690 174.486 1.204 1 1 1300 . 1 1 1 A 114 114 SER CA C 120 59.149 60.004 -0.855 1 1 1301 . 1 1 1 A 114 114 SER CB C 120 62.820 61.773 1.047 1 1 1302 . 1 1 1 A 114 114 SER N N 120 116.771 113.309 3.462 1 1 1303 . 1 1 1 A 115 115 GLY H H 121 8.733 8.191 0.542 1 1 1304 . 1 1 1 A 115 115 GLY HA2 H 121 4.052 4.120 -0.068 1 1 1305 . 1 1 1 A 115 115 GLY HA3 H 121 3.724 4.144 -0.420 1 1 1306 . 1 1 1 A 115 115 GLY C C 121 173.540 173.666 -0.126 1 1 1307 . 1 1 1 A 115 115 GLY CA C 121 44.692 45.623 -0.931 1 1 1308 . 1 1 1 A 115 115 GLY N N 121 112.197 106.066 6.131 1 1 1309 . 1 1 1 A 116 116 LYS H H 122 7.796 7.765 0.031 1 1 1310 . 1 1 1 A 116 116 LYS HA H 122 4.465 4.640 -0.175 1 1 1317 . 1 1 1 A 116 116 LYS C C 122 175.090 175.834 -0.744 1 1 1318 . 1 1 1 A 116 116 LYS CA C 122 55.122 54.486 0.636 1 1 1319 . 1 1 1 A 116 116 LYS CB C 122 33.861 34.103 -0.242 1 1 1322 . 1 1 1 A 116 116 LYS N N 122 120.212 119.623 0.589 1 1 1323 . 1 1 1 A 117 117 MET H H 123 8.348 8.729 -0.381 1 1 1324 . 1 1 1 A 117 117 MET HA H 123 5.082 5.282 -0.200 1 1 1332 . 1 1 1 A 117 117 MET C C 123 176.210 174.583 1.627 1 1 1333 . 1 1 1 A 117 117 MET CA C 123 52.928 54.001 -1.073 1 1 1334 . 1 1 1 A 117 117 MET CB C 123 33.841 37.114 -3.273 1 1 1337 . 1 1 1 A 117 117 MET N N 123 119.755 119.435 0.320 1 1 1338 . 1 1 1 A 118 118 VAL H H 124 9.242 8.896 0.346 1 1 1339 . 1 1 1 A 118 118 VAL HA H 124 4.469 4.838 -0.369 1 1 1347 . 1 1 1 A 118 118 VAL C C 124 173.967 174.309 -0.342 1 1 1348 . 1 1 1 A 118 118 VAL CA C 124 59.056 60.133 -1.077 1 1 1349 . 1 1 1 A 118 118 VAL CB C 124 34.376 35.791 -1.415 1 1 1351 . 1 1 1 A 118 118 VAL N N 124 118.546 121.371 -2.825 1 1 1352 . 1 1 1 A 119 119 ALA H H 125 8.327 8.895 -0.568 1 1 1353 . 1 1 1 A 119 119 ALA HA H 125 4.624 5.144 -0.520 1 1 1357 . 1 1 1 A 119 119 ALA C C 125 177.165 176.389 0.776 1 1 1358 . 1 1 1 A 119 119 ALA CA C 125 52.043 50.536 1.507 1 1 1359 . 1 1 1 A 119 119 ALA CB C 125 18.232 20.048 -1.816 1 1 1360 . 1 1 1 A 119 119 ALA N N 125 125.947 128.704 -2.757 1 1 1361 . 1 1 1 A 120 120 LYS H H 126 7.604 8.879 -1.275 1 1 1362 . 1 1 1 A 120 120 LYS HA H 126 4.046 4.715 -0.669 1 1 1371 . 1 1 1 A 120 120 LYS C C 126 172.631 175.568 -2.937 1 1 1372 . 1 1 1 A 120 120 LYS CA C 126 56.023 54.954 1.069 1 1 1373 . 1 1 1 A 120 120 LYS CB C 126 34.482 34.477 0.005 1 1 1377 . 1 1 1 A 120 120 LYS N N 126 126.149 123.176 2.973 1 1 1378 . 1 1 1 A 121 121 ARG H H 127 8.308 8.646 -0.338 1 1 1379 . 1 1 1 A 121 121 ARG HA H 127 4.901 4.816 0.085 1 1 1384 . 1 1 1 A 121 121 ARG C C 127 176.253 174.966 1.287 1 1 1385 . 1 1 1 A 121 121 ARG CA C 127 55.564 55.329 0.235 1 1 1386 . 1 1 1 A 121 121 ARG CB C 127 28.273 30.751 -2.478 1 1 1388 . 1 1 1 A 121 121 ARG N N 127 122.760 120.074 2.686 1 1 1389 . 1 1 1 A 122 122 GLN H H 128 7.529 8.010 -0.481 1 1 1390 . 1 1 1 A 122 122 GLN HA H 128 4.541 4.881 -0.340 1 1 1397 . 1 1 1 A 122 122 GLN C C 128 172.163 175.008 -2.845 1 1 1398 . 1 1 1 A 122 122 GLN CA C 128 54.218 55.240 -1.022 1 1 1399 . 1 1 1 A 122 122 GLN CB C 128 32.064 29.522 2.542 1 1 1401 . 1 1 1 A 122 122 GLN N N 128 121.022 120.700 0.322 1 1 1403 . 1 1 1 A 123 123 PHE H H 129 8.620 9.230 -0.610 1 1 1404 . 1 1 1 A 123 123 PHE HA H 129 6.040 5.309 0.731 1 1 1411 . 1 1 1 A 123 123 PHE C C 129 174.530 174.516 0.014 1 1 1412 . 1 1 1 A 123 123 PHE CA C 129 56.026 58.333 -2.307 1 1 1413 . 1 1 1 A 123 123 PHE CB C 129 42.143 40.812 1.331 1 1 1414 . 1 1 1 A 123 123 PHE N N 129 125.540 127.603 -2.063 1 1 1415 . 1 1 1 A 124 124 ARG H H 130 8.018 8.078 -0.060 1 1 1416 . 1 1 1 A 124 124 ARG HA H 130 4.366 4.566 -0.200 1 1 1423 . 1 1 1 A 124 124 ARG C C 130 172.139 174.349 -2.210 1 1 1424 . 1 1 1 A 124 124 ARG CA C 130 53.422 53.572 -0.150 1 1 1425 . 1 1 1 A 124 124 ARG CB C 130 32.310 34.049 -1.739 1 1 1428 . 1 1 1 A 124 124 ARG N N 130 125.264 125.759 -0.495 1 1 1429 . 1 1 1 A 125 125 ILE H H 131 8.462 8.077 0.385 1 1 1430 . 1 1 1 A 125 125 ILE HA H 131 3.883 4.189 -0.306 1 1 1440 . 1 1 1 A 125 125 ILE C C 131 175.487 174.810 0.677 1 1 1441 . 1 1 1 A 125 125 ILE CA C 131 58.339 61.755 -3.416 1 1 1442 . 1 1 1 A 125 125 ILE CB C 131 35.673 38.971 -3.298 1 1 1446 . 1 1 1 A 125 125 ILE N N 131 121.887 124.526 -2.639 1 1 1447 . 1 1 1 A 126 126 GLY H H 132 8.814 7.947 0.867 1 1 1448 . 1 1 1 A 126 126 GLY HA2 H 132 4.062 4.235 -0.173 1 1 1449 . 1 1 1 A 126 126 GLY HA3 H 132 4.062 4.266 -0.204 1 1 1450 . 1 1 1 A 126 126 GLY C C 132 171.583 172.341 -0.758 1 1 1451 . 1 1 1 A 126 126 GLY CA C 132 44.157 44.341 -0.184 1 1 1452 . 1 1 1 A 126 126 GLY N N 132 115.675 114.336 1.339 1 1 1453 . 1 1 1 A 127 127 ASP H H 133 7.914 8.380 -0.466 1 1 1454 . 1 1 1 A 127 127 ASP HA H 133 4.584 4.714 -0.130 1 1 1457 . 1 1 1 A 127 127 ASP C C 133 174.132 175.626 -1.494 1 1 1458 . 1 1 1 A 127 127 ASP CA C 133 54.822 54.559 0.263 1 1 1459 . 1 1 1 A 127 127 ASP CB C 133 45.407 41.469 3.938 1 1 1460 . 1 1 1 A 127 127 ASP N N 133 123.737 120.335 3.402 1 1 1461 . 1 1 1 A 128 128 ILE H H 134 8.258 9.077 -0.819 1 1 1462 . 1 1 1 A 128 128 ILE HA H 134 4.392 4.471 -0.079 1 1 1472 . 1 1 1 A 128 128 ILE C C 134 174.799 175.197 -0.398 1 1 1473 . 1 1 1 A 128 128 ILE CA C 134 61.596 60.654 0.942 1 1 1474 . 1 1 1 A 128 128 ILE CB C 134 37.549 37.523 0.026 1 1 1478 . 1 1 1 A 128 128 ILE N N 134 119.105 127.193 -8.088 1 1 1479 . 1 1 1 A 129 129 ALA H H 135 8.607 8.525 0.082 1 1 1480 . 1 1 1 A 129 129 ALA HA H 135 4.757 4.671 0.086 1 1 1484 . 1 1 1 A 129 129 ALA C C 135 173.358 177.347 -3.989 1 1 1485 . 1 1 1 A 129 129 ALA CA C 135 50.608 52.341 -1.733 1 1 1486 . 1 1 1 A 129 129 ALA CB C 135 23.348 19.884 3.464 1 1 1487 . 1 1 1 A 129 129 ALA N N 135 129.336 131.131 -1.795 1 1 1488 . 1 1 1 A 130 130 GLY H H 136 7.514 8.698 -1.184 1 1 1489 . 1 1 1 A 130 130 GLY HA2 H 136 3.551 4.198 -0.647 1 1 1490 . 1 1 1 A 130 130 GLY HA3 H 136 4.422 4.286 0.136 1 1 1491 . 1 1 1 A 130 130 GLY C C 136 172.609 173.121 -0.512 1 1 1492 . 1 1 1 A 130 130 GLY CA C 136 44.315 44.965 -0.650 1 1 1493 . 1 1 1 A 130 130 GLY N N 136 101.232 107.543 -6.311 1 1 1494 . 1 1 1 A 131 131 GLU H H 137 8.225 8.647 -0.422 1 1 1495 . 1 1 1 A 131 131 GLU HA H 137 4.540 4.384 0.156 1 1 1500 . 1 1 1 A 131 131 GLU C C 137 174.864 175.592 -0.728 1 1 1501 . 1 1 1 A 131 131 GLU CA C 137 53.120 56.653 -3.533 1 1 1502 . 1 1 1 A 131 131 GLU CB C 137 28.254 30.570 -2.316 1 1 1504 . 1 1 1 A 131 131 GLU N N 137 121.002 124.505 -3.503 1 1 1505 . 1 1 1 A 132 132 HIS H H 138 8.054 8.892 -0.838 1 1 1506 . 1 1 1 A 132 132 HIS HA H 138 4.771 5.723 -0.952 1 1 1511 . 1 1 1 A 132 132 HIS C C 138 175.411 173.543 1.868 1 1 1512 . 1 1 1 A 132 132 HIS CA C 138 57.942 53.507 4.435 1 1 1513 . 1 1 1 A 132 132 HIS CB C 138 27.710 32.818 -5.108 1 1 1514 . 1 1 1 A 132 132 HIS N N 138 124.204 118.684 5.520 1 1 1515 . 1 1 1 A 133 133 THR H H 139 9.056 8.658 0.398 1 1 1516 . 1 1 1 A 133 133 THR HA H 139 3.864 4.811 -0.947 1 1 1521 . 1 1 1 A 133 133 THR C C 139 174.178 173.699 0.479 1 1 1522 . 1 1 1 A 133 133 THR CA C 139 63.225 61.082 2.143 1 1 1523 . 1 1 1 A 133 133 THR CB C 139 68.127 69.822 -1.695 1 1 1525 . 1 1 1 A 133 133 THR N N 139 125.345 116.368 8.977 1 1 1526 . 1 1 1 A 134 134 SER H H 140 8.834 7.528 1.306 1 1 1527 . 1 1 1 A 134 134 SER HA H 140 4.560 4.845 -0.285 1 1 1530 . 1 1 1 A 134 134 SER C C 140 176.713 174.806 1.907 1 1 1531 . 1 1 1 A 134 134 SER CA C 140 57.961 56.672 1.289 1 1 1532 . 1 1 1 A 134 134 SER CB C 140 63.030 62.941 0.089 1 1 1533 . 1 1 1 A 134 134 SER N N 140 121.791 114.617 7.174 1 1 1534 . 1 1 1 A 135 135 PHE H H 141 9.597 8.381 1.216 1 1 1535 . 1 1 1 A 135 135 PHE HA H 141 3.953 4.124 -0.171 1 1 1542 . 1 1 1 A 135 135 PHE C C 141 175.375 177.851 -2.476 1 1 1543 . 1 1 1 A 135 135 PHE CA C 141 61.339 60.911 0.428 1 1 1544 . 1 1 1 A 135 135 PHE CB C 141 39.394 38.984 0.410 1 1 1545 . 1 1 1 A 135 135 PHE N N 141 128.822 121.981 6.841 1 1 1546 . 1 1 1 A 136 136 ASP H H 142 8.017 8.226 -0.209 1 1 1547 . 1 1 1 A 136 136 ASP HA H 142 4.352 4.329 0.023 1 1 1550 . 1 1 1 A 136 136 ASP C C 142 175.358 176.790 -1.432 1 1 1551 . 1 1 1 A 136 136 ASP CA C 142 55.223 55.716 -0.493 1 1 1552 . 1 1 1 A 136 136 ASP CB C 142 40.968 40.090 0.878 1 1 1553 . 1 1 1 A 136 136 ASP N N 142 113.108 118.811 -5.703 1 1 1554 . 1 1 1 A 137 137 LYS H H 143 7.340 7.652 -0.312 1 1 1555 . 1 1 1 A 137 137 LYS HA H 143 4.439 4.397 0.042 1 1 1564 . 1 1 1 A 137 137 LYS C C 143 175.571 176.267 -0.696 1 1 1565 . 1 1 1 A 137 137 LYS CA C 143 54.096 56.176 -2.080 1 1 1566 . 1 1 1 A 137 137 LYS CB C 143 32.545 33.246 -0.701 1 1 1570 . 1 1 1 A 137 137 LYS N N 143 117.716 118.132 -0.416 1 1 1571 . 1 1 1 A 138 138 LEU H H 144 6.698 7.413 -0.715 1 1 1572 . 1 1 1 A 138 138 LEU HA H 144 3.903 4.507 -0.604 1 1 1582 . 1 1 1 A 138 138 LEU C C 144 174.123 175.323 -1.200 1 1 1583 . 1 1 1 A 138 138 LEU CA C 144 52.843 52.619 0.224 1 1 1584 . 1 1 1 A 138 138 LEU CB C 144 40.993 41.364 -0.371 1 1 1588 . 1 1 1 A 138 138 LEU N N 144 120.536 120.995 -0.459 1 1 1589 . 1 1 1 A 139 139 PRO HA H 145 4.040 4.690 -0.650 1 1 1596 . 1 1 1 A 139 139 PRO C C 145 172.700 176.203 -3.503 1 1 1597 . 1 1 1 A 139 139 PRO CA C 145 62.654 62.292 0.362 1 1 1598 . 1 1 1 A 139 139 PRO CB C 145 30.086 32.325 -2.239 1 1 1601 . 1 1 1 A 140 140 GLU H H 146 8.343 8.517 -0.174 1 1 1602 . 1 1 1 A 140 140 GLU HA H 146 3.970 4.539 -0.569 1 1 1607 . 1 1 1 A 140 140 GLU C C 146 176.009 175.243 0.766 1 1 1608 . 1 1 1 A 140 140 GLU CA C 146 56.119 55.315 0.804 1 1 1609 . 1 1 1 A 140 140 GLU CB C 146 30.086 28.346 1.740 1 1 1611 . 1 1 1 A 140 140 GLU N N 146 119.063 121.038 -1.975 1 1 1612 . 1 1 1 A 141 141 GLY H H 147 7.241 8.307 -1.066 1 1 1613 . 1 1 1 A 141 141 GLY HA2 H 147 3.918 4.385 -0.467 1 1 1614 . 1 1 1 A 141 141 GLY HA3 H 147 3.814 4.401 -0.587 1 1 1615 . 1 1 1 A 141 141 GLY C C 147 171.657 173.279 -1.622 1 1 1616 . 1 1 1 A 141 141 GLY CA C 147 43.929 45.601 -1.672 1 1 1617 . 1 1 1 A 141 141 GLY N N 147 104.270 111.143 -6.873 1 1 1618 . 1 1 1 A 142 142 GLY H H 148 8.241 8.519 -0.278 1 1 1619 . 1 1 1 A 142 142 GLY HA2 H 148 3.710 4.072 -0.362 1 1 1620 . 1 1 1 A 142 142 GLY HA3 H 148 4.350 4.114 0.236 1 1 1621 . 1 1 1 A 142 142 GLY C C 148 171.767 172.235 -0.468 1 1 1622 . 1 1 1 A 142 142 GLY CA C 148 43.649 44.327 -0.678 1 1 1623 . 1 1 1 A 142 142 GLY N N 148 106.996 109.024 -2.028 1 1 1624 . 1 1 1 A 143 143 ARG H H 149 8.214 8.271 -0.057 1 1 1625 . 1 1 1 A 143 143 ARG HA H 149 5.376 5.178 0.198 1 1 1632 . 1 1 1 A 143 143 ARG C C 149 174.981 174.126 0.855 1 1 1633 . 1 1 1 A 143 143 ARG CA C 149 54.235 54.643 -0.408 1 1 1634 . 1 1 1 A 143 143 ARG CB C 149 32.988 33.959 -0.971 1 1 1637 . 1 1 1 A 143 143 ARG N N 149 117.762 120.543 -2.781 1 1 1638 . 1 1 1 A 144 144 ALA H H 150 9.030 9.051 -0.021 1 1 1639 . 1 1 1 A 144 144 ALA HA H 150 4.730 4.901 -0.171 1 1 1643 . 1 1 1 A 144 144 ALA C C 150 175.012 175.927 -0.915 1 1 1644 . 1 1 1 A 144 144 ALA CA C 150 50.732 50.010 0.722 1 1 1645 . 1 1 1 A 144 144 ALA CB C 150 23.448 20.785 2.663 1 1 1646 . 1 1 1 A 144 144 ALA N N 150 126.630 129.246 -2.616 1 1 1647 . 1 1 1 A 145 145 THR H H 151 8.560 8.540 0.020 1 1 1648 . 1 1 1 A 145 145 THR HA H 151 4.846 4.694 0.152 1 1 1653 . 1 1 1 A 145 145 THR C C 151 171.870 173.199 -1.329 1 1 1654 . 1 1 1 A 145 145 THR CA C 151 61.997 62.160 -0.163 1 1 1655 . 1 1 1 A 145 145 THR CB C 151 69.746 69.651 0.095 1 1 1657 . 1 1 1 A 145 145 THR N N 151 117.942 119.358 -1.416 1 1 1658 . 1 1 1 A 146 146 TYR H H 152 10.008 8.858 1.150 1 1 1659 . 1 1 1 A 146 146 TYR HA H 152 4.580 5.206 -0.626 1 1 1666 . 1 1 1 A 146 146 TYR C C 152 174.627 174.708 -0.081 1 1 1667 . 1 1 1 A 146 146 TYR CA C 152 55.835 56.373 -0.538 1 1 1668 . 1 1 1 A 146 146 TYR CB C 152 40.094 43.210 -3.116 1 1 1669 . 1 1 1 A 146 146 TYR N N 152 126.097 125.795 0.302 1 1 1670 . 1 1 1 A 147 147 ARG H H 153 8.860 8.833 0.027 1 1 1671 . 1 1 1 A 147 147 ARG HA H 153 5.404 5.117 0.287 1 1 1678 . 1 1 1 A 147 147 ARG C C 153 177.446 175.271 2.175 1 1 1679 . 1 1 1 A 147 147 ARG CA C 153 54.024 55.065 -1.041 1 1 1680 . 1 1 1 A 147 147 ARG CB C 153 33.539 34.110 -0.571 1 1 1683 . 1 1 1 A 147 147 ARG N N 153 121.042 122.873 -1.831 1 1 1684 . 1 1 1 A 148 148 GLY H H 154 8.916 8.697 0.219 1 1 1685 . 1 1 1 A 148 148 GLY HA2 H 154 4.816 4.359 0.457 1 1 1686 . 1 1 1 A 148 148 GLY HA3 H 154 4.422 4.368 0.054 1 1 1687 . 1 1 1 A 148 148 GLY C C 154 173.831 172.087 1.744 1 1 1688 . 1 1 1 A 148 148 GLY CA C 154 46.752 45.149 1.603 1 1 1689 . 1 1 1 A 148 148 GLY N N 154 114.154 111.678 2.476 1 1 1690 . 1 1 1 A 149 149 THR H H 155 9.063 8.805 0.258 1 1 1691 . 1 1 1 A 149 149 THR HA H 155 4.711 4.721 -0.010 1 1 1696 . 1 1 1 A 149 149 THR C C 155 170.370 174.540 -4.170 1 1 1697 . 1 1 1 A 149 149 THR CA C 155 62.316 63.050 -0.734 1 1 1698 . 1 1 1 A 149 149 THR CB C 155 72.596 69.927 2.669 1 1 1700 . 1 1 1 A 149 149 THR N N 155 126.410 115.821 10.589 1 1 1701 . 1 1 1 A 150 150 ALA H H 156 7.091 8.549 -1.458 1 1 1702 . 1 1 1 A 150 150 ALA HA H 156 5.289 5.452 -0.163 1 1 1706 . 1 1 1 A 150 150 ALA C C 156 173.965 176.687 -2.722 1 1 1707 . 1 1 1 A 150 150 ALA CA C 156 48.843 50.104 -1.261 1 1 1708 . 1 1 1 A 150 150 ALA CB C 156 22.573 21.913 0.660 1 1 1709 . 1 1 1 A 150 150 ALA N N 156 127.540 128.478 -0.938 1 1 1710 . 1 1 1 A 151 151 PHE H H 157 8.536 8.570 -0.034 1 1 1711 . 1 1 1 A 151 151 PHE HA H 157 5.442 5.579 -0.137 1 1 1718 . 1 1 1 A 151 151 PHE C C 157 171.891 173.553 -1.662 1 1 1719 . 1 1 1 A 151 151 PHE CA C 157 53.282 55.379 -2.097 1 1 1720 . 1 1 1 A 151 151 PHE CB C 157 41.020 42.016 -0.996 1 1 1721 . 1 1 1 A 151 151 PHE N N 157 117.013 117.885 -0.872 1 1 1722 . 1 1 1 A 152 152 GLY H H 158 8.548 8.243 0.305 1 1 1723 . 1 1 1 A 152 152 GLY HA2 H 158 4.003 3.205 0.798 1 1 1724 . 1 1 1 A 152 152 GLY HA3 H 158 3.124 3.984 -0.860 1 1 1725 . 1 1 1 A 152 152 GLY C C 158 173.148 174.162 -1.014 1 1 1726 . 1 1 1 A 152 152 GLY CA C 158 42.630 44.984 -2.354 1 1 1727 . 1 1 1 A 152 152 GLY N N 158 108.356 107.861 0.495 1 1 1728 . 1 1 1 A 153 153 SER H H 159 7.610 8.738 -1.128 1 1 1729 . 1 1 1 A 153 153 SER HA H 159 3.421 4.260 -0.839 1 1 1732 . 1 1 1 A 153 153 SER C C 159 176.057 174.357 1.700 1 1 1733 . 1 1 1 A 153 153 SER CA C 159 58.787 60.444 -1.657 1 1 1734 . 1 1 1 A 153 153 SER CB C 159 61.886 63.119 -1.233 1 1 1735 . 1 1 1 A 153 153 SER N N 159 115.173 115.378 -0.205 1 1 1736 . 1 1 1 A 154 154 ASP H H 160 9.894 8.229 1.665 1 1 1737 . 1 1 1 A 154 154 ASP HA H 160 4.168 4.975 -0.807 1 1 1740 . 1 1 1 A 154 154 ASP C C 160 175.191 176.726 -1.535 1 1 1741 . 1 1 1 A 154 154 ASP CA C 160 55.398 53.432 1.966 1 1 1742 . 1 1 1 A 154 154 ASP CB C 160 39.212 43.368 -4.156 1 1 1743 . 1 1 1 A 154 154 ASP N N 160 124.828 120.523 4.305 1 1 1744 . 1 1 1 A 155 155 ASP H H 161 7.520 7.981 -0.461 1 1 1745 . 1 1 1 A 155 155 ASP HA H 161 4.568 4.649 -0.081 1 1 1748 . 1 1 1 A 155 155 ASP C C 161 172.658 176.984 -4.326 1 1 1749 . 1 1 1 A 155 155 ASP CA C 161 54.342 54.455 -0.113 1 1 1750 . 1 1 1 A 155 155 ASP CB C 161 40.619 41.787 -1.168 1 1 1751 . 1 1 1 A 155 155 ASP N N 161 116.749 118.275 -1.526 1 1 1752 . 1 1 1 A 156 156 ALA H H 162 8.544 7.710 0.834 1 1 1753 . 1 1 1 A 156 156 ALA HA H 162 4.916 4.266 0.650 1 1 1757 . 1 1 1 A 156 156 ALA C C 162 177.708 177.730 -0.022 1 1 1758 . 1 1 1 A 156 156 ALA CA C 162 49.878 52.574 -2.696 1 1 1759 . 1 1 1 A 156 156 ALA CB C 162 17.473 18.340 -0.867 1 1 1760 . 1 1 1 A 156 156 ALA N N 162 128.246 120.479 7.767 1 1 1761 . 1 1 1 A 157 157 GLY H H 163 8.406 8.271 0.135 1 1 1762 . 1 1 1 A 157 157 GLY HA2 H 163 4.286 4.104 0.182 1 1 1763 . 1 1 1 A 157 157 GLY HA3 H 163 3.894 4.116 -0.222 1 1 1764 . 1 1 1 A 157 157 GLY C C 163 174.344 174.293 0.051 1 1 1765 . 1 1 1 A 157 157 GLY CA C 163 45.049 45.477 -0.428 1 1 1766 . 1 1 1 A 157 157 GLY N N 163 106.545 106.155 0.390 1 1 1767 . 1 1 1 A 158 158 GLY H H 164 7.128 7.881 -0.753 1 1 1768 . 1 1 1 A 158 158 GLY HA2 H 164 4.118 4.106 0.012 1 1 1769 . 1 1 1 A 158 158 GLY HA3 H 164 3.641 4.202 -0.561 1 1 1770 . 1 1 1 A 158 158 GLY C C 164 173.903 172.820 1.083 1 1 1771 . 1 1 1 A 158 158 GLY CA C 164 45.225 44.666 0.559 1 1 1772 . 1 1 1 A 158 158 GLY N N 164 106.404 107.931 -1.527 1 1 1773 . 1 1 1 A 159 159 LYS H H 165 9.647 8.921 0.726 1 1 1774 . 1 1 1 A 159 159 LYS HA H 165 5.052 5.248 -0.196 1 1 1781 . 1 1 1 A 159 159 LYS C C 165 174.390 174.870 -0.480 1 1 1782 . 1 1 1 A 159 159 LYS CA C 165 53.501 54.757 -1.256 1 1 1783 . 1 1 1 A 159 159 LYS CB C 165 34.622 36.425 -1.803 1 1 1786 . 1 1 1 A 159 159 LYS N N 165 123.930 117.210 6.720 1 1 1787 . 1 1 1 A 160 160 LEU H H 166 7.706 8.975 -1.269 1 1 1788 . 1 1 1 A 160 160 LEU HA H 166 4.873 5.271 -0.398 1 1 1798 . 1 1 1 A 160 160 LEU C C 166 174.825 175.636 -0.811 1 1 1799 . 1 1 1 A 160 160 LEU CA C 166 52.677 52.736 -0.059 1 1 1800 . 1 1 1 A 160 160 LEU CB C 166 44.629 44.773 -0.144 1 1 1804 . 1 1 1 A 160 160 LEU N N 166 126.271 120.054 6.217 1 1 1805 . 1 1 1 A 161 161 THR H H 167 8.374 8.788 -0.414 1 1 1806 . 1 1 1 A 161 161 THR HA H 167 4.949 5.270 -0.321 1 1 1811 . 1 1 1 A 161 161 THR C C 167 172.102 173.043 -0.941 1 1 1812 . 1 1 1 A 161 161 THR CA C 167 61.761 61.920 -0.159 1 1 1813 . 1 1 1 A 161 161 THR CB C 167 70.169 71.015 -0.846 1 1 1815 . 1 1 1 A 161 161 THR N N 167 122.977 115.121 7.856 1 1 1816 . 1 1 1 A 162 162 TYR H H 168 9.174 9.223 -0.049 1 1 1817 . 1 1 1 A 162 162 TYR HA H 168 4.766 5.475 -0.709 1 1 1824 . 1 1 1 A 162 162 TYR C C 168 172.249 173.898 -1.649 1 1 1825 . 1 1 1 A 162 162 TYR CA C 168 58.162 56.778 1.384 1 1 1826 . 1 1 1 A 162 162 TYR CB C 168 43.746 42.759 0.987 1 1 1827 . 1 1 1 A 162 162 TYR N N 168 128.112 127.250 0.862 1 1 1828 . 1 1 1 A 163 163 THR H H 169 8.711 8.296 0.415 1 1 1829 . 1 1 1 A 163 163 THR HA H 169 5.402 5.339 0.063 1 1 1834 . 1 1 1 A 163 163 THR C C 169 172.520 172.092 0.428 1 1 1835 . 1 1 1 A 163 163 THR CA C 169 60.804 60.056 0.748 1 1 1836 . 1 1 1 A 163 163 THR CB C 169 70.818 70.600 0.218 1 1 1838 . 1 1 1 A 163 163 THR N N 169 124.549 120.030 4.519 1 1 1839 . 1 1 1 A 164 164 ILE H H 170 8.927 8.689 0.238 1 1 1840 . 1 1 1 A 164 164 ILE HA H 170 4.313 4.923 -0.610 1 1 1850 . 1 1 1 A 164 164 ILE C C 170 173.105 173.895 -0.790 1 1 1851 . 1 1 1 A 164 164 ILE CA C 170 60.595 60.103 0.492 1 1 1852 . 1 1 1 A 164 164 ILE CB C 170 41.274 41.647 -0.373 1 1 1856 . 1 1 1 A 164 164 ILE N N 170 123.685 124.642 -0.957 1 1 1857 . 1 1 1 A 165 165 ASP H H 171 8.372 8.824 -0.452 1 1 1858 . 1 1 1 A 165 165 ASP HA H 171 4.750 4.795 -0.045 1 1 1861 . 1 1 1 A 165 165 ASP C C 171 177.213 176.172 1.041 1 1 1862 . 1 1 1 A 165 165 ASP CA C 171 51.669 54.295 -2.626 1 1 1863 . 1 1 1 A 165 165 ASP CB C 171 41.730 39.918 1.812 1 1 1864 . 1 1 1 A 165 165 ASP N N 171 125.168 129.149 -3.981 1 1 1865 . 1 1 1 A 166 166 PHE H H 172 8.968 8.046 0.922 1 1 1866 . 1 1 1 A 166 166 PHE HA H 172 3.879 4.304 -0.425 1 1 1874 . 1 1 1 A 166 166 PHE C C 172 176.940 178.320 -1.380 1 1 1875 . 1 1 1 A 166 166 PHE CA C 172 61.543 60.544 0.999 1 1 1876 . 1 1 1 A 166 166 PHE CB C 172 37.424 38.972 -1.548 1 1 1877 . 1 1 1 A 166 166 PHE N N 172 123.597 122.081 1.516 1 1 1878 . 1 1 1 A 167 167 ALA H H 173 8.266 8.023 0.243 1 1 1879 . 1 1 1 A 167 167 ALA HA H 173 4.322 4.258 0.064 1 1 1883 . 1 1 1 A 167 167 ALA C C 173 178.888 177.717 1.171 1 1 1884 . 1 1 1 A 167 167 ALA CA C 173 54.458 53.660 0.798 1 1 1885 . 1 1 1 A 167 167 ALA CB C 173 17.591 18.574 -0.983 1 1 1886 . 1 1 1 A 167 167 ALA N N 173 122.113 121.386 0.727 1 1 1887 . 1 1 1 A 168 168 ALA H H 174 7.405 7.789 -0.384 1 1 1888 . 1 1 1 A 168 168 ALA HA H 174 4.096 4.473 -0.377 1 1 1892 . 1 1 1 A 168 168 ALA C C 174 176.605 176.709 -0.104 1 1 1893 . 1 1 1 A 168 168 ALA CA C 174 51.225 51.292 -0.067 1 1 1894 . 1 1 1 A 168 168 ALA CB C 174 18.307 20.541 -2.234 1 1 1895 . 1 1 1 A 168 168 ALA N N 174 118.760 120.073 -1.313 1 1 1896 . 1 1 1 A 169 169 LYS H H 175 7.906 7.800 0.106 1 1 1897 . 1 1 1 A 169 169 LYS HA H 175 3.391 3.853 -0.462 1 1 1904 . 1 1 1 A 169 169 LYS C C 175 174.608 174.680 -0.072 1 1 1905 . 1 1 1 A 169 169 LYS CA C 175 57.049 57.353 -0.304 1 1 1906 . 1 1 1 A 169 169 LYS CB C 175 30.051 29.386 0.665 1 1 1909 . 1 1 1 A 169 169 LYS N N 175 114.394 115.271 -0.877 1 1 1910 . 1 1 1 A 170 170 GLN H H 176 7.629 7.160 0.469 1 1 1911 . 1 1 1 A 170 170 GLN HA H 176 5.414 4.804 0.610 1 1 1918 . 1 1 1 A 170 170 GLN C C 176 174.325 175.614 -1.289 1 1 1919 . 1 1 1 A 170 170 GLN CA C 176 54.393 54.293 0.100 1 1 1920 . 1 1 1 A 170 170 GLN CB C 176 34.771 30.912 3.859 1 1 1922 . 1 1 1 A 170 170 GLN N N 176 116.433 116.764 -0.331 1 1 1924 . 1 1 1 A 171 171 GLY H H 177 8.854 9.155 -0.301 1 1 1925 . 1 1 1 A 171 171 GLY HA2 H 177 5.205 4.078 1.127 1 1 1926 . 1 1 1 A 171 171 GLY HA3 H 177 3.526 4.138 -0.612 1 1 1927 . 1 1 1 A 171 171 GLY C C 177 170.842 172.926 -2.084 1 1 1928 . 1 1 1 A 171 171 GLY CA C 177 44.621 44.835 -0.214 1 1 1929 . 1 1 1 A 171 171 GLY N N 177 110.189 112.128 -1.939 1 1 1930 . 1 1 1 A 172 172 ASN H H 178 7.637 8.045 -0.408 1 1 1931 . 1 1 1 A 172 172 ASN HA H 178 4.224 5.184 -0.960 1 1 1936 . 1 1 1 A 172 172 ASN C C 178 171.546 173.404 -1.858 1 1 1937 . 1 1 1 A 172 172 ASN CA C 178 53.729 52.217 1.512 1 1 1938 . 1 1 1 A 172 172 ASN CB C 178 41.543 42.293 -0.750 1 1 1939 . 1 1 1 A 172 172 ASN N N 178 112.667 118.270 -5.603 1 1 1941 . 1 1 1 A 173 173 GLY H H 179 9.103 8.289 0.814 1 1 1942 . 1 1 1 A 173 173 GLY HA2 H 179 4.491 4.234 0.257 1 1 1943 . 1 1 1 A 173 173 GLY HA3 H 179 4.084 4.270 -0.186 1 1 1944 . 1 1 1 A 173 173 GLY C C 179 172.400 171.770 0.630 1 1 1945 . 1 1 1 A 173 173 GLY CA C 179 47.199 46.002 1.197 1 1 1946 . 1 1 1 A 173 173 GLY N N 179 106.686 108.149 -1.463 1 1 1947 . 1 1 1 A 174 174 LYS H H 180 9.179 8.484 0.695 1 1 1948 . 1 1 1 A 174 174 LYS HA H 180 4.821 5.007 -0.186 1 1 1957 . 1 1 1 A 174 174 LYS C C 180 172.518 174.177 -1.659 1 1 1958 . 1 1 1 A 174 174 LYS CA C 180 56.617 55.280 1.337 1 1 1959 . 1 1 1 A 174 174 LYS CB C 180 35.373 35.779 -0.406 1 1 1963 . 1 1 1 A 174 174 LYS N N 180 121.816 116.604 5.212 1 1 1964 . 1 1 1 A 175 175 ILE H H 181 8.351 8.845 -0.494 1 1 1965 . 1 1 1 A 175 175 ILE HA H 181 4.581 4.807 -0.226 1 1 1973 . 1 1 1 A 175 175 ILE C C 181 173.997 175.680 -1.683 1 1 1974 . 1 1 1 A 175 175 ILE CA C 181 60.490 59.917 0.573 1 1 1975 . 1 1 1 A 175 175 ILE CB C 181 39.573 38.938 0.635 1 1 1978 . 1 1 1 A 175 175 ILE N N 181 123.400 123.911 -0.511 1 1 1979 . 1 1 1 A 176 176 GLU H H 182 8.492 8.555 -0.063 1 1 1980 . 1 1 1 A 176 176 GLU HA H 182 4.471 4.807 -0.336 1 1 1985 . 1 1 1 A 176 176 GLU C C 182 175.392 176.260 -0.868 1 1 1986 . 1 1 1 A 176 176 GLU CA C 182 53.410 54.825 -1.415 1 1 1987 . 1 1 1 A 176 176 GLU CB C 182 35.479 32.838 2.641 1 1 1989 . 1 1 1 A 176 176 GLU N N 182 122.287 126.583 -4.296 1 1 1990 . 1 1 1 A 177 177 HIS H H 183 8.431 8.931 -0.500 1 1 1991 . 1 1 1 A 177 177 HIS HA H 183 3.975 4.211 -0.236 1 1 1996 . 1 1 1 A 177 177 HIS C C 183 176.008 173.954 2.054 1 1 1997 . 1 1 1 A 177 177 HIS CA C 183 57.533 56.745 0.788 1 1 1998 . 1 1 1 A 177 177 HIS CB C 183 27.362 28.433 -1.071 1 1 1999 . 1 1 1 A 177 177 HIS N N 183 109.605 121.217 -11.612 1 1 2000 . 1 1 1 A 178 178 LEU H H 184 9.603 7.815 1.788 1 1 2001 . 1 1 1 A 178 178 LEU HA H 184 4.276 4.384 -0.108 1 1 2011 . 1 1 1 A 178 178 LEU C C 184 178.805 177.894 0.911 1 1 2012 . 1 1 1 A 178 178 LEU CA C 184 56.034 53.629 2.405 1 1 2013 . 1 1 1 A 178 178 LEU CB C 184 39.882 42.655 -2.773 1 1 2017 . 1 1 1 A 178 178 LEU N N 184 124.374 120.020 4.354 1 1 2018 . 1 1 1 A 179 179 LYS H H 185 10.002 8.840 1.162 1 1 2019 . 1 1 1 A 179 179 LYS HA H 185 3.682 4.062 -0.380 1 1 2028 . 1 1 1 A 179 179 LYS C C 185 177.660 176.526 1.134 1 1 2029 . 1 1 1 A 179 179 LYS CA C 185 57.721 58.834 -1.113 1 1 2030 . 1 1 1 A 179 179 LYS CB C 185 31.949 32.098 -0.149 1 1 2034 . 1 1 1 A 179 179 LYS N N 185 122.880 120.856 2.024 1 1 2035 . 1 1 1 A 180 180 SER H H 186 7.262 7.903 -0.641 1 1 2036 . 1 1 1 A 180 180 SER HA H 186 4.672 4.897 -0.225 1 1 2039 . 1 1 1 A 180 180 SER C C 186 173.086 174.175 -1.089 1 1 2040 . 1 1 1 A 180 180 SER CA C 186 54.576 55.574 -0.998 1 1 2041 . 1 1 1 A 180 180 SER CB C 186 62.715 65.334 -2.619 1 1 2042 . 1 1 1 A 180 180 SER N N 186 115.187 115.696 -0.509 1 1 2043 . 1 1 1 A 181 181 PRO HA H 187 3.956 4.443 -0.487 1 1 2050 . 1 1 1 A 181 181 PRO CA C 187 65.359 64.618 0.741 1 1 2051 . 1 1 1 A 181 181 PRO CB C 187 32.061 32.075 -0.014 1 1 2054 . 1 1 1 A 182 182 GLU H H 188 8.076 8.266 -0.190 1 1 2055 . 1 1 1 A 182 182 GLU HA H 188 3.011 4.159 -1.148 1 1 2060 . 1 1 1 A 182 182 GLU C C 188 173.944 177.923 -3.979 1 1 2061 . 1 1 1 A 182 182 GLU CA C 188 56.597 59.081 -2.484 1 1 2062 . 1 1 1 A 182 182 GLU CB C 188 29.581 29.454 0.127 1 1 2064 . 1 1 1 A 182 182 GLU N N 188 113.034 118.091 -5.057 1 1 2065 . 1 1 1 A 183 183 LEU H H 189 7.126 7.205 -0.079 1 1 2066 . 1 1 1 A 183 183 LEU HA H 189 3.970 4.184 -0.214 1 1 2076 . 1 1 1 A 183 183 LEU C C 189 175.597 177.007 -1.410 1 1 2077 . 1 1 1 A 183 183 LEU CA C 189 53.849 55.334 -1.485 1 1 2078 . 1 1 1 A 183 183 LEU CB C 189 41.152 42.009 -0.857 1 1 2082 . 1 1 1 A 183 183 LEU N N 189 112.896 118.328 -5.432 1 1 2083 . 1 1 1 A 184 184 ASN H H 190 6.952 7.747 -0.795 1 1 2084 . 1 1 1 A 184 184 ASN HA H 190 4.596 4.887 -0.291 1 1 2089 . 1 1 1 A 184 184 ASN C C 190 175.694 175.168 0.526 1 1 2090 . 1 1 1 A 184 184 ASN CA C 190 53.200 53.140 0.060 1 1 2091 . 1 1 1 A 184 184 ASN CB C 190 36.466 38.963 -2.497 1 1 2092 . 1 1 1 A 184 184 ASN N N 190 117.865 117.854 0.011 1 1 2094 . 1 1 1 A 185 185 VAL H H 191 7.178 8.820 -1.642 1 1 2095 . 1 1 1 A 185 185 VAL HA H 191 4.480 4.845 -0.365 1 1 2103 . 1 1 1 A 185 185 VAL C C 191 174.874 175.082 -0.208 1 1 2104 . 1 1 1 A 185 185 VAL CA C 191 59.753 59.152 0.601 1 1 2105 . 1 1 1 A 185 185 VAL CB C 191 33.035 34.919 -1.884 1 1 2108 . 1 1 1 A 185 185 VAL N N 191 113.276 118.196 -4.920 1 1 2109 . 1 1 1 A 186 186 ASP H H 192 8.827 8.719 0.108 1 1 2110 . 1 1 1 A 186 186 ASP HA H 192 4.779 4.702 0.077 1 1 2113 . 1 1 1 A 186 186 ASP C C 192 174.919 175.383 -0.464 1 1 2114 . 1 1 1 A 186 186 ASP CA C 192 54.058 54.892 -0.834 1 1 2115 . 1 1 1 A 186 186 ASP CB C 192 41.635 41.355 0.280 1 1 2116 . 1 1 1 A 186 186 ASP N N 192 118.111 123.030 -4.919 1 1 2117 . 1 1 1 A 187 187 LEU H H 193 8.375 8.659 -0.284 1 1 2118 . 1 1 1 A 187 187 LEU HA H 193 4.146 5.098 -0.952 1 1 2127 . 1 1 1 A 187 187 LEU CA C 193 52.331 53.526 -1.195 1 1 2128 . 1 1 1 A 187 187 LEU CB C 193 38.187 45.194 -7.007 1 1 2131 . 1 1 1 A 187 187 LEU N N 193 123.130 124.531 -1.401 1 1 2132 . 1 1 1 A 188 188 ALA H H 194 8.225 8.599 -0.374 1 1 2133 . 1 1 1 A 188 188 ALA HA H 194 4.098 4.510 -0.412 1 1 2137 . 1 1 1 A 188 188 ALA C C 194 176.239 177.090 -0.851 1 1 2138 . 1 1 1 A 188 188 ALA CA C 194 52.498 52.057 0.441 1 1 2139 . 1 1 1 A 188 188 ALA CB C 194 20.030 18.905 1.125 1 1 2140 . 1 1 1 A 188 188 ALA N N 194 126.289 128.645 -2.356 1 1 2141 . 1 1 1 A 189 189 ALA H H 195 8.275 8.318 -0.043 1 1 2142 . 1 1 1 A 189 189 ALA HA H 195 4.862 4.467 0.395 1 1 2146 . 1 1 1 A 189 189 ALA C C 195 178.131 177.762 0.369 1 1 2147 . 1 1 1 A 189 189 ALA CA C 195 51.822 53.199 -1.377 1 1 2148 . 1 1 1 A 189 189 ALA CB C 195 17.367 19.015 -1.648 1 1 2149 . 1 1 1 A 189 189 ALA N N 195 122.010 125.907 -3.897 1 1 2150 . 1 1 1 A 190 190 ALA H H 196 8.823 8.979 -0.156 1 1 2151 . 1 1 1 A 190 190 ALA HA H 196 4.634 5.098 -0.464 1 1 2155 . 1 1 1 A 190 190 ALA C C 196 175.141 175.870 -0.729 1 1 2156 . 1 1 1 A 190 190 ALA CA C 196 50.420 51.128 -0.708 1 1 2157 . 1 1 1 A 190 190 ALA CB C 196 23.461 22.777 0.684 1 1 2158 . 1 1 1 A 190 190 ALA N N 196 126.018 124.478 1.540 1 1 2159 . 1 1 1 A 191 191 ASP H H 197 8.365 8.713 -0.348 1 1 2160 . 1 1 1 A 191 191 ASP HA H 197 5.160 4.903 0.257 1 1 2163 . 1 1 1 A 191 191 ASP C C 197 176.028 176.211 -0.183 1 1 2164 . 1 1 1 A 191 191 ASP CA C 197 54.034 52.801 1.233 1 1 2165 . 1 1 1 A 191 191 ASP CB C 197 41.691 41.782 -0.091 1 1 2166 . 1 1 1 A 191 191 ASP N N 197 118.646 121.874 -3.228 1 1 2167 . 1 1 1 A 192 192 ILE H H 198 7.915 8.351 -0.436 1 1 2168 . 1 1 1 A 192 192 ILE HA H 198 4.315 4.253 0.062 1 1 2178 . 1 1 1 A 192 192 ILE C C 198 174.684 175.884 -1.200 1 1 2179 . 1 1 1 A 192 192 ILE CA C 198 60.951 62.015 -1.064 1 1 2180 . 1 1 1 A 192 192 ILE CB C 198 41.989 38.080 3.909 1 1 2184 . 1 1 1 A 192 192 ILE N N 198 119.664 121.456 -1.792 1 1 2185 . 1 1 1 A 193 193 LYS H H 199 9.175 8.514 0.661 1 1 2186 . 1 1 1 A 193 193 LYS HA H 199 4.530 4.896 -0.366 1 1 2195 . 1 1 1 A 193 193 LYS C C 199 172.639 173.520 -0.881 1 1 2196 . 1 1 1 A 193 193 LYS CA C 199 53.361 53.119 0.242 1 1 2197 . 1 1 1 A 193 193 LYS CB C 199 34.758 35.446 -0.688 1 1 2201 . 1 1 1 A 193 193 LYS N N 199 127.122 124.515 2.607 1 1 2202 . 1 1 1 A 195 195 ASP H H 201 8.390 8.720 -0.330 1 1 2203 . 1 1 1 A 195 195 ASP HA H 201 4.550 4.825 -0.275 1 1 2206 . 1 1 1 A 195 195 ASP C C 201 179.300 175.842 3.458 1 1 2207 . 1 1 1 A 195 195 ASP CA C 201 51.354 54.542 -3.188 1 1 2208 . 1 1 1 A 195 195 ASP CB C 201 40.324 43.823 -3.499 1 1 2209 . 1 1 1 A 195 195 ASP N N 201 123.239 119.842 3.397 1 1 2210 . 1 1 1 A 196 196 GLY HA2 H 202 3.718 3.125 0.593 1 1 2211 . 1 1 1 A 196 196 GLY HA3 H 202 3.437 3.514 -0.077 1 1 2212 . 1 1 1 A 196 196 GLY CA C 202 46.527 44.829 1.698 1 1 2213 . 1 1 1 A 197 197 LYS H H 203 7.740 8.435 -0.695 1 1 2214 . 1 1 1 A 197 197 LYS HA H 203 4.118 4.005 0.113 1 1 2221 . 1 1 1 A 197 197 LYS C C 203 174.941 176.559 -1.618 1 1 2222 . 1 1 1 A 197 197 LYS CA C 203 55.054 58.531 -3.477 1 1 2223 . 1 1 1 A 197 197 LYS CB C 203 31.192 32.019 -0.827 1 1 2226 . 1 1 1 A 197 197 LYS N N 203 120.305 122.560 -2.255 1 1 2227 . 1 1 1 A 198 198 ARG H H 204 8.059 7.572 0.487 1 1 2228 . 1 1 1 A 198 198 ARG HA H 204 3.441 4.504 -1.063 1 1 2235 . 1 1 1 A 198 198 ARG C C 204 175.152 175.230 -0.078 1 1 2236 . 1 1 1 A 198 198 ARG CA C 204 56.911 55.573 1.338 1 1 2237 . 1 1 1 A 198 198 ARG CB C 204 26.584 30.976 -4.392 1 1 2240 . 1 1 1 A 198 198 ARG N N 204 111.796 114.867 -3.071 1 1 2241 . 1 1 1 A 199 199 HIS H H 205 8.531 7.240 1.291 1 1 2242 . 1 1 1 A 199 199 HIS HA H 205 4.812 5.074 -0.262 1 1 2247 . 1 1 1 A 199 199 HIS C C 205 174.866 171.817 3.049 1 1 2248 . 1 1 1 A 199 199 HIS CA C 205 53.700 54.130 -0.430 1 1 2249 . 1 1 1 A 199 199 HIS CB C 205 27.838 31.541 -3.703 1 1 2250 . 1 1 1 A 199 199 HIS N N 205 120.255 115.095 5.160 1 1 2251 . 1 1 1 A 200 200 ALA H H 206 8.492 8.542 -0.050 1 1 2252 . 1 1 1 A 200 200 ALA HA H 206 4.615 5.071 -0.456 1 1 2256 . 1 1 1 A 200 200 ALA C C 206 175.840 175.627 0.213 1 1 2257 . 1 1 1 A 200 200 ALA CA C 206 52.247 49.844 2.403 1 1 2258 . 1 1 1 A 200 200 ALA CB C 206 19.838 22.015 -2.177 1 1 2259 . 1 1 1 A 200 200 ALA N N 206 123.237 121.642 1.595 1 1 2260 . 1 1 1 A 201 201 VAL H H 207 9.174 8.340 0.834 1 1 2261 . 1 1 1 A 201 201 VAL HA H 207 4.976 4.659 0.317 1 1 2269 . 1 1 1 A 201 201 VAL C C 207 173.390 174.669 -1.279 1 1 2270 . 1 1 1 A 201 201 VAL CA C 207 60.775 60.376 0.399 1 1 2271 . 1 1 1 A 201 201 VAL CB C 207 35.488 35.830 -0.342 1 1 2274 . 1 1 1 A 201 201 VAL N N 207 123.250 117.602 5.648 1 1 2275 . 1 1 1 A 202 202 ILE H H 208 8.887 8.588 0.299 1 1 2276 . 1 1 1 A 202 202 ILE HA H 208 4.312 4.858 -0.546 1 1 2286 . 1 1 1 A 202 202 ILE C C 208 174.670 174.940 -0.270 1 1 2287 . 1 1 1 A 202 202 ILE CA C 208 60.815 59.692 1.123 1 1 2288 . 1 1 1 A 202 202 ILE CB C 208 41.576 40.386 1.190 1 1 2292 . 1 1 1 A 202 202 ILE N N 208 122.699 126.625 -3.926 1 1 2293 . 1 1 1 A 203 203 SER H H 209 8.416 8.669 -0.253 1 1 2294 . 1 1 1 A 203 203 SER HA H 209 4.913 5.067 -0.154 1 1 2297 . 1 1 1 A 203 203 SER C C 209 172.984 172.814 0.170 1 1 2298 . 1 1 1 A 203 203 SER CA C 209 55.676 56.301 -0.625 1 1 2299 . 1 1 1 A 203 203 SER CB C 209 64.355 65.378 -1.023 1 1 2300 . 1 1 1 A 203 203 SER N N 209 122.067 122.235 -0.168 1 1 2301 . 1 1 1 A 204 204 GLY H H 210 7.292 7.869 -0.577 1 1 2302 . 1 1 1 A 204 204 GLY HA2 H 210 4.432 4.225 0.207 1 1 2303 . 1 1 1 A 204 204 GLY HA3 H 210 3.352 4.241 -0.889 1 1 2304 . 1 1 1 A 204 204 GLY C C 210 172.482 172.453 0.029 1 1 2305 . 1 1 1 A 204 204 GLY CA C 210 45.167 45.223 -0.056 1 1 2306 . 1 1 1 A 204 204 GLY N N 210 110.488 113.446 -2.958 1 1 2307 . 1 1 1 A 205 205 SER H H 211 8.652 8.881 -0.229 1 1 2308 . 1 1 1 A 205 205 SER HA H 211 5.027 5.561 -0.534 1 1 2311 . 1 1 1 A 205 205 SER C C 211 172.852 173.535 -0.683 1 1 2312 . 1 1 1 A 205 205 SER CA C 211 58.806 57.542 1.264 1 1 2313 . 1 1 1 A 205 205 SER CB C 211 64.384 66.430 -2.046 1 1 2314 . 1 1 1 A 205 205 SER N N 211 116.497 117.078 -0.581 1 1 2315 . 1 1 1 A 206 206 VAL H H 212 7.400 8.856 -1.456 1 1 2316 . 1 1 1 A 206 206 VAL HA H 212 5.032 4.697 0.335 1 1 2324 . 1 1 1 A 206 206 VAL C C 212 174.500 174.064 0.436 1 1 2325 . 1 1 1 A 206 206 VAL CA C 212 58.764 61.355 -2.591 1 1 2326 . 1 1 1 A 206 206 VAL CB C 212 30.512 34.981 -4.469 1 1 2329 . 1 1 1 A 206 206 VAL N N 212 117.101 124.045 -6.944 1 1 2330 . 1 1 1 A 207 207 LEU H H 213 8.961 8.781 0.180 1 1 2331 . 1 1 1 A 207 207 LEU HA H 213 5.312 4.955 0.357 1 1 2341 . 1 1 1 A 207 207 LEU C C 213 175.520 174.707 0.813 1 1 2342 . 1 1 1 A 207 207 LEU CA C 213 52.630 53.610 -0.980 1 1 2343 . 1 1 1 A 207 207 LEU CB C 213 45.567 44.287 1.280 1 1 2347 . 1 1 1 A 207 207 LEU N N 213 124.185 130.060 -5.875 1 1 2348 . 1 1 1 A 208 208 TYR H H 214 8.836 8.719 0.117 1 1 2349 . 1 1 1 A 208 208 TYR HA H 214 4.766 4.589 0.177 1 1 2356 . 1 1 1 A 208 208 TYR C C 214 175.964 175.355 0.609 1 1 2357 . 1 1 1 A 208 208 TYR CA C 214 56.943 57.960 -1.017 1 1 2358 . 1 1 1 A 208 208 TYR CB C 214 41.736 40.072 1.664 1 1 2359 . 1 1 1 A 208 208 TYR N N 214 120.202 128.474 -8.272 1 1 2360 . 1 1 1 A 209 209 ASN H H 215 9.292 9.221 0.071 1 1 2361 . 1 1 1 A 209 209 ASN HA H 215 4.001 4.281 -0.280 1 1 2366 . 1 1 1 A 209 209 ASN C C 215 174.336 174.256 0.080 1 1 2367 . 1 1 1 A 209 209 ASN CA C 215 53.923 54.072 -0.149 1 1 2368 . 1 1 1 A 209 209 ASN CB C 215 36.468 37.052 -0.584 1 1 2369 . 1 1 1 A 209 209 ASN N N 215 129.805 126.014 3.791 1 1 2371 . 1 1 1 A 210 210 GLN H H 216 8.614 8.500 0.114 1 1 2372 . 1 1 1 A 210 210 GLN HA H 216 3.453 3.880 -0.427 1 1 2379 . 1 1 1 A 210 210 GLN C C 216 173.521 174.574 -1.053 1 1 2380 . 1 1 1 A 210 210 GLN CA C 216 57.881 57.272 0.609 1 1 2381 . 1 1 1 A 210 210 GLN CB C 216 26.089 26.685 -0.596 1 1 2383 . 1 1 1 A 210 210 GLN N N 216 106.396 110.029 -3.633 1 1 2385 . 1 1 1 A 211 211 ALA H H 217 7.657 7.558 0.099 1 1 2386 . 1 1 1 A 211 211 ALA HA H 217 4.608 4.544 0.064 1 1 2390 . 1 1 1 A 211 211 ALA C C 217 176.432 176.795 -0.363 1 1 2391 . 1 1 1 A 211 211 ALA CA C 217 50.786 50.964 -0.178 1 1 2392 . 1 1 1 A 211 211 ALA CB C 217 20.499 20.897 -0.398 1 1 2393 . 1 1 1 A 211 211 ALA N N 217 123.338 118.543 4.795 1 1 2394 . 1 1 1 A 212 212 GLU H H 218 8.712 8.825 -0.113 1 1 2395 . 1 1 1 A 212 212 GLU HA H 218 4.525 4.239 0.286 1 1 2400 . 1 1 1 A 212 212 GLU C C 218 177.924 174.523 3.401 1 1 2401 . 1 1 1 A 212 212 GLU CA C 218 57.550 59.037 -1.487 1 1 2402 . 1 1 1 A 212 212 GLU CB C 218 28.811 28.828 -0.017 1 1 2404 . 1 1 1 A 212 212 GLU N N 218 122.631 116.586 6.045 1 1 2405 . 1 1 1 A 213 213 LYS H H 219 8.835 8.561 0.274 1 1 2406 . 1 1 1 A 213 213 LYS HA H 219 4.612 4.859 -0.247 1 1 2415 . 1 1 1 A 213 213 LYS C C 219 173.786 175.699 -1.913 1 1 2416 . 1 1 1 A 213 213 LYS CA C 219 53.115 55.366 -2.251 1 1 2417 . 1 1 1 A 213 213 LYS CB C 219 34.180 34.066 0.114 1 1 2421 . 1 1 1 A 213 213 LYS N N 219 126.870 121.750 5.120 1 1 2422 . 1 1 1 A 214 214 GLY H H 220 7.929 9.227 -1.298 1 1 2423 . 1 1 1 A 214 214 GLY HA2 H 220 5.469 4.083 1.386 1 1 2424 . 1 1 1 A 214 214 GLY HA3 H 220 3.719 4.084 -0.365 1 1 2425 . 1 1 1 A 214 214 GLY C C 220 173.926 172.966 0.960 1 1 2426 . 1 1 1 A 214 214 GLY CA C 220 44.536 44.018 0.518 1 1 2427 . 1 1 1 A 214 214 GLY N N 220 107.019 114.482 -7.463 1 1 2428 . 1 1 1 A 215 215 SER H H 221 8.678 8.317 0.361 1 1 2429 . 1 1 1 A 215 215 SER HA H 221 5.460 5.503 -0.043 1 1 2432 . 1 1 1 A 215 215 SER C C 221 171.043 173.050 -2.007 1 1 2433 . 1 1 1 A 215 215 SER CA C 221 56.810 57.037 -0.227 1 1 2434 . 1 1 1 A 215 215 SER CB C 221 66.671 66.163 0.508 1 1 2435 . 1 1 1 A 215 215 SER N N 221 117.334 113.521 3.813 1 1 2436 . 1 1 1 A 216 216 TYR H H 222 8.958 9.139 -0.181 1 1 2437 . 1 1 1 A 216 216 TYR HA H 222 5.389 5.587 -0.198 1 1 2445 . 1 1 1 A 216 216 TYR C C 222 172.789 173.871 -1.082 1 1 2446 . 1 1 1 A 216 216 TYR CA C 222 55.819 55.706 0.113 1 1 2447 . 1 1 1 A 216 216 TYR CB C 222 41.681 42.595 -0.914 1 1 2448 . 1 1 1 A 216 216 TYR N N 222 117.645 118.909 -1.264 1 1 2449 . 1 1 1 A 217 217 SER H H 223 8.837 8.904 -0.067 1 1 2450 . 1 1 1 A 217 217 SER HA H 223 5.165 5.168 -0.003 1 1 2453 . 1 1 1 A 217 217 SER C C 223 173.125 173.224 -0.099 1 1 2454 . 1 1 1 A 217 217 SER CA C 223 56.600 57.322 -0.722 1 1 2455 . 1 1 1 A 217 217 SER CB C 223 64.500 65.850 -1.350 1 1 2456 . 1 1 1 A 217 217 SER N N 223 115.593 116.289 -0.696 1 1 2457 . 1 1 1 A 218 218 LEU H H 224 9.299 8.763 0.536 1 1 2458 . 1 1 1 A 218 218 LEU HA H 224 4.748 5.210 -0.462 1 1 2468 . 1 1 1 A 218 218 LEU C C 224 175.567 175.324 0.243 1 1 2469 . 1 1 1 A 218 218 LEU CA C 224 53.138 53.361 -0.223 1 1 2470 . 1 1 1 A 218 218 LEU CB C 224 46.255 45.868 0.387 1 1 2474 . 1 1 1 A 218 218 LEU N N 224 123.523 121.532 1.991 1 1 2475 . 1 1 1 A 219 219 GLY H H 225 9.041 8.834 0.207 1 1 2476 . 1 1 1 A 219 219 GLY HA2 H 225 4.620 4.229 0.391 1 1 2477 . 1 1 1 A 219 219 GLY HA3 H 225 3.413 4.262 -0.849 1 1 2478 . 1 1 1 A 219 219 GLY C C 225 171.514 172.044 -0.530 1 1 2479 . 1 1 1 A 219 219 GLY CA C 225 43.777 43.950 -0.173 1 1 2480 . 1 1 1 A 219 219 GLY N N 225 108.999 106.389 2.610 1 1 2481 . 1 1 1 A 220 220 ILE H H 226 6.853 8.390 -1.537 1 1 2482 . 1 1 1 A 220 220 ILE HA H 226 4.615 4.934 -0.319 1 1 2492 . 1 1 1 A 220 220 ILE C C 226 174.750 174.941 -0.191 1 1 2493 . 1 1 1 A 220 220 ILE CA C 226 60.421 59.988 0.433 1 1 2494 . 1 1 1 A 220 220 ILE CB C 226 38.213 39.653 -1.440 1 1 2498 . 1 1 1 A 220 220 ILE N N 226 120.223 121.189 -0.966 1 1 2499 . 1 1 1 A 221 221 PHE H H 227 9.392 9.216 0.176 1 1 2500 . 1 1 1 A 221 221 PHE HA H 227 4.770 5.110 -0.340 1 1 2507 . 1 1 1 A 221 221 PHE C C 227 175.093 175.410 -0.317 1 1 2508 . 1 1 1 A 221 221 PHE CA C 227 58.053 56.598 1.455 1 1 2509 . 1 1 1 A 221 221 PHE CB C 227 42.505 42.021 0.484 1 1 2510 . 1 1 1 A 221 221 PHE N N 227 128.229 124.934 3.295 1 1 2511 . 1 1 1 A 222 222 GLY H H 228 8.675 8.802 -0.127 1 1 2512 . 1 1 1 A 222 222 GLY HA2 H 228 3.174 3.643 -0.469 1 1 2513 . 1 1 1 A 222 222 GLY HA3 H 228 4.311 3.862 0.449 1 1 2514 . 1 1 1 A 222 222 GLY CA C 228 42.438 44.880 -2.442 1 1 2515 . 1 1 1 A 222 222 GLY N N 228 104.634 109.781 -5.147 1 1 2516 . 1 1 1 A 223 223 GLY CA C 229 46.870 45.635 1.235 1 1 2517 . 1 1 1 A 224 224 LYS H H 230 8.366 7.591 0.775 1 1 2518 . 1 1 1 A 224 224 LYS HA H 230 4.305 4.727 -0.422 1 1 2523 . 1 1 1 A 224 224 LYS C C 230 174.717 175.965 -1.248 1 1 2524 . 1 1 1 A 224 224 LYS CA C 230 54.119 54.882 -0.763 1 1 2525 . 1 1 1 A 224 224 LYS CB C 230 30.821 32.332 -1.511 1 1 2527 . 1 1 1 A 224 224 LYS N N 230 118.720 116.478 2.242 1 1 2528 . 1 1 1 A 225 225 ALA H H 231 7.633 8.276 -0.643 1 1 2529 . 1 1 1 A 225 225 ALA HA H 231 3.810 4.282 -0.472 1 1 2533 . 1 1 1 A 225 225 ALA C C 231 176.702 177.292 -0.590 1 1 2534 . 1 1 1 A 225 225 ALA CA C 231 51.868 53.302 -1.434 1 1 2535 . 1 1 1 A 225 225 ALA CB C 231 16.117 17.903 -1.786 1 1 2536 . 1 1 1 A 225 225 ALA N N 231 118.077 118.642 -0.565 1 1 2537 . 1 1 1 A 226 226 GLN H H 232 9.387 7.803 1.584 1 1 2538 . 1 1 1 A 226 226 GLN HA H 232 3.877 4.336 -0.459 1 1 2543 . 1 1 1 A 226 226 GLN C C 232 175.992 176.301 -0.309 1 1 2544 . 1 1 1 A 226 226 GLN CA C 232 60.989 58.081 2.908 1 1 2545 . 1 1 1 A 226 226 GLN CB C 232 28.695 29.373 -0.678 1 1 2547 . 1 1 1 A 226 226 GLN N N 232 117.991 115.637 2.354 1 1 2548 . 1 1 1 A 227 227 GLU H H 233 8.825 7.930 0.895 1 1 2549 . 1 1 1 A 227 227 GLU HA H 233 5.411 4.895 0.516 1 1 2554 . 1 1 1 A 227 227 GLU C C 233 174.939 173.919 1.020 1 1 2555 . 1 1 1 A 227 227 GLU CA C 233 54.289 55.582 -1.293 1 1 2556 . 1 1 1 A 227 227 GLU CB C 233 33.797 32.351 1.446 1 1 2558 . 1 1 1 A 227 227 GLU N N 233 116.638 115.211 1.427 1 1 2559 . 1 1 1 A 228 228 VAL H H 234 8.343 8.875 -0.532 1 1 2560 . 1 1 1 A 228 228 VAL HA H 234 5.544 5.173 0.371 1 1 2568 . 1 1 1 A 228 228 VAL C C 234 174.839 174.422 0.417 1 1 2569 . 1 1 1 A 228 228 VAL CA C 234 57.867 60.047 -2.180 1 1 2570 . 1 1 1 A 228 228 VAL CB C 234 35.379 35.141 0.238 1 1 2573 . 1 1 1 A 228 228 VAL N N 234 109.304 115.990 -6.686 1 1 2574 . 1 1 1 A 229 229 ALA H H 235 8.475 8.753 -0.278 1 1 2575 . 1 1 1 A 229 229 ALA HA H 235 4.937 4.924 0.013 1 1 2579 . 1 1 1 A 229 229 ALA C C 235 176.417 175.828 0.589 1 1 2580 . 1 1 1 A 229 229 ALA CA C 235 51.303 51.053 0.250 1 1 2581 . 1 1 1 A 229 229 ALA CB C 235 20.301 22.716 -2.415 1 1 2582 . 1 1 1 A 229 229 ALA N N 235 120.653 124.165 -3.512 1 1 2583 . 1 1 1 A 230 230 GLY H H 236 9.361 8.211 1.150 1 1 2584 . 1 1 1 A 230 230 GLY HA2 H 236 5.075 4.296 0.779 1 1 2585 . 1 1 1 A 230 230 GLY HA3 H 236 4.017 4.303 -0.286 1 1 2586 . 1 1 1 A 230 230 GLY C C 236 170.130 172.015 -1.885 1 1 2587 . 1 1 1 A 230 230 GLY CA C 236 46.221 45.792 0.429 1 1 2588 . 1 1 1 A 230 230 GLY N N 236 111.104 106.234 4.870 1 1 2589 . 1 1 1 A 231 231 SER H H 237 8.889 8.763 0.126 1 1 2590 . 1 1 1 A 231 231 SER HA H 237 5.276 5.383 -0.107 1 1 2593 . 1 1 1 A 231 231 SER C C 237 171.360 172.910 -1.550 1 1 2594 . 1 1 1 A 231 231 SER CA C 237 56.498 57.274 -0.776 1 1 2595 . 1 1 1 A 231 231 SER CB C 237 66.398 66.716 -0.318 1 1 2596 . 1 1 1 A 231 231 SER N N 237 115.308 115.952 -0.644 1 1 2597 . 1 1 1 A 232 232 ALA H H 238 9.083 8.927 0.156 1 1 2598 . 1 1 1 A 232 232 ALA HA H 238 5.148 5.452 -0.304 1 1 2602 . 1 1 1 A 232 232 ALA C C 238 174.537 175.847 -1.310 1 1 2603 . 1 1 1 A 232 232 ALA CA C 238 49.904 50.684 -0.780 1 1 2604 . 1 1 1 A 232 232 ALA CB C 238 21.729 23.321 -1.592 1 1 2605 . 1 1 1 A 232 232 ALA N N 238 119.911 123.295 -3.384 1 1 2606 . 1 1 1 A 233 233 GLU H H 239 9.015 8.975 0.040 1 1 2607 . 1 1 1 A 233 233 GLU HA H 239 4.631 5.070 -0.439 1 1 2612 . 1 1 1 A 233 233 GLU C C 239 174.122 174.365 -0.243 1 1 2613 . 1 1 1 A 233 233 GLU CA C 239 54.786 54.804 -0.018 1 1 2614 . 1 1 1 A 233 233 GLU CB C 239 31.355 31.699 -0.344 1 1 2616 . 1 1 1 A 233 233 GLU N N 239 122.744 121.076 1.668 1 1 2617 . 1 1 1 A 234 234 VAL H H 240 8.792 8.886 -0.094 1 1 2618 . 1 1 1 A 234 234 VAL HA H 240 4.394 4.522 -0.128 1 1 2623 . 1 1 1 A 234 234 VAL C C 240 174.833 173.786 1.047 1 1 2624 . 1 1 1 A 234 234 VAL CA C 240 61.427 60.305 1.122 1 1 2625 . 1 1 1 A 234 234 VAL CB C 240 33.863 32.572 1.291 1 1 2627 . 1 1 1 A 234 234 VAL N N 240 124.203 125.404 -1.201 1 1 2628 . 1 1 1 A 235 235 LYS H H 241 8.841 8.677 0.164 1 1 2629 . 1 1 1 A 235 235 LYS HA H 241 3.981 4.931 -0.950 1 1 2638 . 1 1 1 A 235 235 LYS C C 241 174.548 175.798 -1.250 1 1 2639 . 1 1 1 A 235 235 LYS CA C 241 55.955 55.332 0.623 1 1 2640 . 1 1 1 A 235 235 LYS CB C 241 32.100 33.824 -1.724 1 1 2644 . 1 1 1 A 235 235 LYS N N 241 127.554 129.201 -1.647 1 1 2645 . 1 1 1 A 236 236 THR H H 242 7.212 8.483 -1.271 1 1 2646 . 1 1 1 A 236 236 THR HA H 242 4.355 5.088 -0.733 1 1 2651 . 1 1 1 A 236 236 THR C C 242 176.482 175.088 1.394 1 1 2652 . 1 1 1 A 236 236 THR CA C 242 61.054 59.196 1.858 1 1 2653 . 1 1 1 A 236 236 THR CB C 242 72.642 72.474 0.168 1 1 2655 . 1 1 1 A 236 236 THR N N 242 114.463 113.239 1.224 1 1 2656 . 1 1 1 A 237 237 VAL H H 243 9.582 8.831 0.751 1 1 2657 . 1 1 1 A 237 237 VAL HA H 243 3.849 3.879 -0.030 1 1 2665 . 1 1 1 A 237 237 VAL C C 243 176.201 176.617 -0.416 1 1 2666 . 1 1 1 A 237 237 VAL CA C 243 64.701 65.146 -0.445 1 1 2667 . 1 1 1 A 237 237 VAL CB C 243 31.028 31.440 -0.412 1 1 2669 . 1 1 1 A 237 237 VAL N N 243 120.670 117.427 3.243 1 1 2670 . 1 1 1 A 238 238 ASN H H 244 7.572 7.825 -0.253 1 1 2671 . 1 1 1 A 238 238 ASN HA H 244 4.882 4.817 0.065 1 1 2676 . 1 1 1 A 238 238 ASN C C 244 173.835 175.762 -1.927 1 1 2677 . 1 1 1 A 238 238 ASN CA C 244 52.022 53.206 -1.184 1 1 2678 . 1 1 1 A 238 238 ASN CB C 244 39.176 39.102 0.074 1 1 2679 . 1 1 1 A 238 238 ASN N N 244 115.638 118.317 -2.679 1 1 2681 . 1 1 1 A 239 239 GLY H H 245 7.362 8.026 -0.664 1 1 2682 . 1 1 1 A 239 239 GLY HA2 H 245 4.539 4.089 0.450 1 1 2683 . 1 1 1 A 239 239 GLY HA3 H 245 3.728 4.103 -0.375 1 1 2684 . 1 1 1 A 239 239 GLY C C 245 174.343 173.032 1.311 1 1 2685 . 1 1 1 A 239 239 GLY CA C 245 43.316 44.625 -1.309 1 1 2686 . 1 1 1 A 239 239 GLY N N 245 107.650 106.361 1.289 1 1 2687 . 1 1 1 A 240 240 ILE H H 246 8.672 8.324 0.348 1 1 2688 . 1 1 1 A 240 240 ILE HA H 246 4.351 4.762 -0.411 1 1 2698 . 1 1 1 A 240 240 ILE C C 246 176.899 174.265 2.634 1 1 2699 . 1 1 1 A 240 240 ILE CA C 246 61.120 60.176 0.944 1 1 2700 . 1 1 1 A 240 240 ILE CB C 246 36.906 39.512 -2.606 1 1 2704 . 1 1 1 A 240 240 ILE N N 246 122.673 121.667 1.006 1 1 2705 . 1 1 1 A 241 241 ARG H H 247 9.233 8.981 0.252 1 1 2706 . 1 1 1 A 241 241 ARG HA H 247 4.370 4.946 -0.576 1 1 2713 . 1 1 1 A 241 241 ARG C C 247 173.925 175.399 -1.474 1 1 2714 . 1 1 1 A 241 241 ARG CA C 247 53.461 55.071 -1.610 1 1 2715 . 1 1 1 A 241 241 ARG CB C 247 31.910 31.527 0.383 1 1 2718 . 1 1 1 A 241 241 ARG N N 247 128.497 128.523 -0.026 1 1 2719 . 1 1 1 A 242 242 HIS H H 248 8.519 9.006 -0.487 1 1 2720 . 1 1 1 A 242 242 HIS HA H 248 5.323 5.017 0.306 1 1 2725 . 1 1 1 A 242 242 HIS C C 248 174.635 175.986 -1.351 1 1 2726 . 1 1 1 A 242 242 HIS CA C 248 55.759 56.433 -0.674 1 1 2727 . 1 1 1 A 242 242 HIS CB C 248 32.921 31.117 1.804 1 1 2728 . 1 1 1 A 242 242 HIS N N 248 121.131 121.956 -0.825 1 1 2729 . 1 1 1 A 243 243 ILE H H 249 8.723 9.238 -0.515 1 1 2730 . 1 1 1 A 243 243 ILE HA H 249 4.522 4.817 -0.295 1 1 2740 . 1 1 1 A 243 243 ILE C C 249 176.188 175.716 0.472 1 1 2741 . 1 1 1 A 243 243 ILE CA C 249 58.524 59.794 -1.270 1 1 2742 . 1 1 1 A 243 243 ILE CB C 249 41.977 41.379 0.598 1 1 2746 . 1 1 1 A 243 243 ILE N N 249 119.438 123.818 -4.380 1 1 2747 . 1 1 1 A 244 244 GLY H H 250 9.351 8.667 0.684 1 1 2748 . 1 1 1 A 244 244 GLY HA2 H 250 3.707 3.000 0.707 1 1 2749 . 1 1 1 A 244 244 GLY HA3 H 250 2.119 3.869 -1.750 1 1 2750 . 1 1 1 A 244 244 GLY C C 250 170.981 171.864 -0.883 1 1 2751 . 1 1 1 A 244 244 GLY CA C 250 44.178 43.863 0.315 1 1 2752 . 1 1 1 A 244 244 GLY N N 250 113.700 114.373 -0.673 1 1 2753 . 1 1 1 A 245 245 LEU H H 251 7.833 8.132 -0.299 1 1 2754 . 1 1 1 A 245 245 LEU HA H 251 4.717 4.963 -0.246 1 1 2764 . 1 1 1 A 245 245 LEU C C 251 174.501 176.078 -1.577 1 1 2765 . 1 1 1 A 245 245 LEU CA C 251 52.508 53.520 -1.012 1 1 2766 . 1 1 1 A 245 245 LEU CB C 251 46.764 43.695 3.069 1 1 2770 . 1 1 1 A 245 245 LEU N N 251 120.798 123.697 -2.899 1 1 2771 . 1 1 1 A 246 246 ALA H H 252 7.906 8.742 -0.836 1 1 2772 . 1 1 1 A 246 246 ALA HA H 252 4.589 4.708 -0.119 1 1 2776 . 1 1 1 A 246 246 ALA C C 252 173.363 175.745 -2.382 1 1 2777 . 1 1 1 A 246 246 ALA CA C 252 51.546 51.448 0.098 1 1 2778 . 1 1 1 A 246 246 ALA CB C 252 21.524 19.506 2.018 1 1 2779 . 1 1 1 A 246 246 ALA N N 252 122.885 124.805 -1.920 1 1 2780 . 1 1 1 A 247 247 ALA H H 253 9.041 8.346 0.695 1 1 2781 . 1 1 1 A 247 247 ALA HA H 253 4.726 5.257 -0.531 1 1 2785 . 1 1 1 A 247 247 ALA C C 253 174.897 174.851 0.046 1 1 2786 . 1 1 1 A 247 247 ALA CA C 253 51.723 51.113 0.610 1 1 2787 . 1 1 1 A 247 247 ALA CB C 253 22.967 22.499 0.468 1 1 2788 . 1 1 1 A 247 247 ALA N N 253 122.967 125.775 -2.808 1 1 2789 . 1 1 1 A 248 248 LYS H H 254 8.171 8.453 -0.282 1 1 2790 . 1 1 1 A 248 248 LYS HA H 254 5.731 5.199 0.532 1 1 2797 . 1 1 1 A 248 248 LYS C C 254 175.094 175.278 -0.184 1 1 2798 . 1 1 1 A 248 248 LYS CA C 254 53.866 54.335 -0.469 1 1 2799 . 1 1 1 A 248 248 LYS CB C 254 36.312 35.957 0.355 1 1 2802 . 1 1 1 A 248 248 LYS N N 254 115.734 123.195 -7.461 1 1 60 . 2 1 1 A 9 9 GLY H H 15 8.346 8.893 -0.547 1 1 61 . 2 1 1 A 9 9 GLY HA2 H 15 4.021 3.869 0.152 1 1 62 . 2 1 1 A 9 9 GLY HA3 H 15 3.772 3.870 -0.098 1 1 63 . 2 1 1 A 9 9 GLY C C 15 174.259 175.494 -1.235 1 1 64 . 2 1 1 A 9 9 GLY CA C 15 45.581 46.670 -1.089 1 1 65 . 2 1 1 A 9 9 GLY N N 15 107.368 109.626 -2.258 1 1 66 . 2 1 1 A 10 10 LEU H H 16 7.224 7.854 -0.630 1 1 67 . 2 1 1 A 10 10 LEU HA H 16 3.736 4.144 -0.408 1 1 77 . 2 1 1 A 10 10 LEU C C 16 178.202 179.247 -1.045 1 1 78 . 2 1 1 A 10 10 LEU CA C 16 57.915 57.385 0.530 1 1 79 . 2 1 1 A 10 10 LEU CB C 16 40.686 41.194 -0.508 1 1 83 . 2 1 1 A 10 10 LEU N N 16 117.616 123.204 -5.588 1 1 84 . 2 1 1 A 11 11 ALA H H 17 7.860 7.998 -0.138 1 1 85 . 2 1 1 A 11 11 ALA HA H 17 3.937 4.057 -0.120 1 1 89 . 2 1 1 A 11 11 ALA C C 17 181.090 178.912 2.178 1 1 90 . 2 1 1 A 11 11 ALA CA C 17 54.860 55.434 -0.574 1 1 91 . 2 1 1 A 11 11 ALA CB C 17 17.248 18.098 -0.850 1 1 92 . 2 1 1 A 11 11 ALA N N 17 117.757 122.019 -4.262 1 1 93 . 2 1 1 A 12 12 ASP H H 18 8.017 8.273 -0.256 1 1 94 . 2 1 1 A 12 12 ASP HA H 18 4.223 4.339 -0.116 1 1 97 . 2 1 1 A 12 12 ASP C C 18 177.941 178.287 -0.346 1 1 98 . 2 1 1 A 12 12 ASP CA C 18 56.341 57.189 -0.848 1 1 99 . 2 1 1 A 12 12 ASP CB C 18 39.312 41.246 -1.934 1 1 100 . 2 1 1 A 12 12 ASP N N 18 118.410 119.069 -0.659 1 1 101 . 2 1 1 A 13 13 ALA H H 19 8.205 8.171 0.034 1 1 102 . 2 1 1 A 13 13 ALA HA H 19 3.952 4.412 -0.460 1 1 106 . 2 1 1 A 13 13 ALA C C 19 178.856 178.120 0.736 1 1 107 . 2 1 1 A 13 13 ALA CA C 19 55.039 54.208 0.831 1 1 108 . 2 1 1 A 13 13 ALA CB C 19 17.779 18.479 -0.700 1 1 109 . 2 1 1 A 13 13 ALA N N 19 121.480 121.517 -0.037 1 1 110 . 2 1 1 A 14 14 LEU H H 20 7.217 7.276 -0.059 1 1 111 . 2 1 1 A 14 14 LEU HA H 20 4.258 4.373 -0.115 1 1 121 . 2 1 1 A 14 14 LEU C C 20 177.544 178.666 -1.122 1 1 122 . 2 1 1 A 14 14 LEU CA C 20 55.511 54.953 0.558 1 1 123 . 2 1 1 A 14 14 LEU CB C 20 42.176 42.598 -0.422 1 1 126 . 2 1 1 A 14 14 LEU N N 20 113.410 116.013 -2.603 1 1 127 . 2 1 1 A 15 15 THR H H 21 7.624 7.981 -0.357 1 1 128 . 2 1 1 A 15 15 THR HA H 21 4.394 4.129 0.265 1 1 133 . 2 1 1 A 15 15 THR C C 21 174.959 175.472 -0.513 1 1 134 . 2 1 1 A 15 15 THR CA C 21 61.733 64.290 -2.557 1 1 135 . 2 1 1 A 15 15 THR CB C 21 71.514 68.587 2.927 1 1 137 . 2 1 1 A 15 15 THR N N 21 106.072 111.300 -5.228 1 1 138 . 2 1 1 A 16 16 ALA H H 22 8.932 7.828 1.104 1 1 139 . 2 1 1 A 16 16 ALA HA H 22 4.624 4.472 0.152 1 1 143 . 2 1 1 A 16 16 ALA C C 22 175.978 176.821 -0.843 1 1 144 . 2 1 1 A 16 16 ALA CA C 22 50.681 53.291 -2.610 1 1 145 . 2 1 1 A 16 16 ALA CB C 22 18.728 21.311 -2.583 1 1 146 . 2 1 1 A 16 16 ALA N N 22 127.789 121.962 5.827 1 1 147 . 2 1 1 A 17 17 PRO HA H 23 4.430 4.695 -0.265 1 1 154 . 2 1 1 A 17 17 PRO CA C 23 61.497 62.414 -0.917 1 1 155 . 2 1 1 A 17 17 PRO CB C 23 31.775 33.309 -1.534 1 1 158 . 2 1 1 A 18 18 LEU H H 24 8.154 8.745 -0.591 1 1 159 . 2 1 1 A 18 18 LEU HA H 24 3.894 4.653 -0.759 1 1 169 . 2 1 1 A 18 18 LEU C C 24 176.447 175.746 0.701 1 1 170 . 2 1 1 A 18 18 LEU CA C 24 55.510 55.552 -0.042 1 1 171 . 2 1 1 A 18 18 LEU CB C 24 40.921 45.234 -4.313 1 1 175 . 2 1 1 A 18 18 LEU N N 24 121.010 121.197 -0.187 1 1 176 . 2 1 1 A 19 19 ASP H H 25 8.758 7.775 0.983 1 1 177 . 2 1 1 A 19 19 ASP HA H 25 4.626 4.580 0.046 1 1 180 . 2 1 1 A 19 19 ASP C C 25 176.425 175.893 0.532 1 1 181 . 2 1 1 A 19 19 ASP CA C 25 52.688 54.483 -1.795 1 1 182 . 2 1 1 A 19 19 ASP CB C 25 42.819 41.407 1.412 1 1 183 . 2 1 1 A 19 19 ASP N N 25 124.654 118.070 6.584 1 1 184 . 2 1 1 A 20 20 HIS HA H 26 4.272 4.758 -0.486 1 1 189 . 2 1 1 A 20 20 HIS CA C 26 58.100 56.034 2.066 1 1 190 . 2 1 1 A 20 20 HIS CB C 26 29.200 33.169 -3.969 1 1 191 . 2 1 1 A 21 21 LYS H H 27 8.348 8.175 0.173 1 1 192 . 2 1 1 A 21 21 LYS HA H 27 3.970 4.191 -0.221 1 1 201 . 2 1 1 A 21 21 LYS C C 27 177.393 176.855 0.538 1 1 202 . 2 1 1 A 21 21 LYS CA C 27 56.320 57.638 -1.318 1 1 203 . 2 1 1 A 21 21 LYS CB C 27 30.950 33.367 -2.417 1 1 206 . 2 1 1 A 21 21 LYS N N 27 118.419 117.492 0.927 1 1 207 . 2 1 1 A 22 22 ASP H H 28 7.451 8.195 -0.744 1 1 208 . 2 1 1 A 22 22 ASP HA H 28 4.307 4.813 -0.506 1 1 211 . 2 1 1 A 22 22 ASP C C 28 176.212 175.389 0.823 1 1 212 . 2 1 1 A 22 22 ASP CA C 28 54.164 55.335 -1.171 1 1 213 . 2 1 1 A 22 22 ASP CB C 28 40.091 40.397 -0.306 1 1 214 . 2 1 1 A 22 22 ASP N N 28 120.045 119.078 0.967 1 1 215 . 2 1 1 A 23 23 LYS H H 29 8.416 8.690 -0.274 1 1 216 . 2 1 1 A 23 23 LYS HA H 29 3.962 4.385 -0.423 1 1 225 . 2 1 1 A 23 23 LYS C C 29 177.409 175.577 1.832 1 1 226 . 2 1 1 A 23 23 LYS CA C 29 56.254 56.506 -0.252 1 1 227 . 2 1 1 A 23 23 LYS CB C 29 31.950 34.413 -2.463 1 1 231 . 2 1 1 A 23 23 LYS N N 29 121.925 120.743 1.182 1 1 232 . 2 1 1 A 24 24 GLY H H 30 8.612 7.484 1.128 1 1 233 . 2 1 1 A 24 24 GLY HA2 H 30 3.655 4.134 -0.479 1 1 234 . 2 1 1 A 24 24 GLY HA3 H 30 3.519 4.135 -0.616 1 1 235 . 2 1 1 A 24 24 GLY CA C 30 44.788 46.058 -1.270 1 1 236 . 2 1 1 A 24 24 GLY N N 30 111.487 107.075 4.412 1 1 237 . 2 1 1 A 25 25 LEU H H 31 8.054 8.205 -0.151 1 1 238 . 2 1 1 A 25 25 LEU HA H 31 3.770 4.350 -0.580 1 1 248 . 2 1 1 A 25 25 LEU CA C 31 55.906 54.962 0.944 1 1 249 . 2 1 1 A 25 25 LEU CB C 31 44.428 42.506 1.922 1 1 253 . 2 1 1 A 25 25 LEU N N 31 127.196 126.611 0.585 1 1 254 . 2 1 1 A 26 26 GLN H H 32 9.184 8.930 0.254 1 1 255 . 2 1 1 A 26 26 GLN HA H 32 3.437 4.555 -1.118 1 1 262 . 2 1 1 A 26 26 GLN C C 32 174.347 174.764 -0.417 1 1 263 . 2 1 1 A 26 26 GLN CA C 32 57.926 55.361 2.565 1 1 264 . 2 1 1 A 26 26 GLN CB C 32 27.721 30.152 -2.431 1 1 266 . 2 1 1 A 26 26 GLN N N 32 131.782 125.243 6.539 1 1 268 . 2 1 1 A 27 27 SER H H 33 7.240 7.677 -0.437 1 1 269 . 2 1 1 A 27 27 SER HA H 33 4.981 5.175 -0.194 1 1 272 . 2 1 1 A 27 27 SER C C 33 171.111 172.297 -1.186 1 1 273 . 2 1 1 A 27 27 SER CA C 33 56.782 57.258 -0.476 1 1 274 . 2 1 1 A 27 27 SER CB C 33 64.611 66.409 -1.798 1 1 275 . 2 1 1 A 27 27 SER N N 33 108.936 113.023 -4.087 1 1 276 . 2 1 1 A 28 28 LEU H H 34 8.010 8.757 -0.747 1 1 277 . 2 1 1 A 28 28 LEU HA H 34 4.372 5.049 -0.677 1 1 287 . 2 1 1 A 28 28 LEU C C 34 174.697 175.398 -0.701 1 1 288 . 2 1 1 A 28 28 LEU CA C 34 53.332 53.480 -0.148 1 1 289 . 2 1 1 A 28 28 LEU CB C 34 45.636 46.228 -0.592 1 1 293 . 2 1 1 A 28 28 LEU N N 34 121.826 121.838 -0.012 1 1 294 . 2 1 1 A 29 29 THR H H 35 8.810 8.736 0.074 1 1 295 . 2 1 1 A 29 29 THR HA H 35 4.046 5.152 -1.106 1 1 300 . 2 1 1 A 29 29 THR C C 35 172.792 174.362 -1.570 1 1 301 . 2 1 1 A 29 29 THR CA C 35 62.565 60.080 2.485 1 1 302 . 2 1 1 A 29 29 THR CB C 35 68.233 70.457 -2.224 1 1 304 . 2 1 1 A 29 29 THR N N 35 123.892 113.098 10.794 1 1 305 . 2 1 1 A 30 30 LEU H H 36 8.662 9.032 -0.370 1 1 306 . 2 1 1 A 30 30 LEU HA H 36 4.150 4.687 -0.537 1 1 316 . 2 1 1 A 30 30 LEU C C 36 174.707 176.166 -1.459 1 1 317 . 2 1 1 A 30 30 LEU CA C 36 53.789 53.555 0.234 1 1 318 . 2 1 1 A 30 30 LEU CB C 36 40.562 41.124 -0.562 1 1 322 . 2 1 1 A 30 30 LEU N N 36 128.365 124.420 3.945 1 1 323 . 2 1 1 A 31 31 ASP H H 37 8.500 8.491 0.009 1 1 324 . 2 1 1 A 31 31 ASP HA H 37 4.837 4.660 0.177 1 1 327 . 2 1 1 A 31 31 ASP CA C 37 54.657 54.484 0.173 1 1 328 . 2 1 1 A 31 31 ASP CB C 37 43.089 41.363 1.726 1 1 329 . 2 1 1 A 31 31 ASP N N 37 123.194 122.509 0.685 1 1 330 . 2 1 1 A 32 32 GLN H H 38 10.453 7.907 2.546 1 1 331 . 2 1 1 A 32 32 GLN HA H 38 3.808 4.623 -0.815 1 1 338 . 2 1 1 A 32 32 GLN C C 38 178.535 177.353 1.182 1 1 339 . 2 1 1 A 32 32 GLN CA C 38 56.284 56.922 -0.638 1 1 340 . 2 1 1 A 32 32 GLN CB C 38 28.175 31.807 -3.632 1 1 342 . 2 1 1 A 32 32 GLN N N 38 120.692 119.475 1.217 1 1 344 . 2 1 1 A 33 33 SER H H 39 8.523 8.399 0.124 1 1 345 . 2 1 1 A 33 33 SER HA H 39 4.081 4.032 0.049 1 1 348 . 2 1 1 A 33 33 SER C C 39 171.792 173.936 -2.144 1 1 349 . 2 1 1 A 33 33 SER CA C 39 61.436 61.346 0.090 1 1 350 . 2 1 1 A 33 33 SER CB C 39 63.008 62.866 0.142 1 1 351 . 2 1 1 A 33 33 SER N N 39 111.712 114.149 -2.437 1 1 352 . 2 1 1 A 34 34 VAL H H 40 6.691 7.600 -0.909 1 1 353 . 2 1 1 A 34 34 VAL HA H 40 3.890 4.529 -0.639 1 1 361 . 2 1 1 A 34 34 VAL C C 40 172.251 174.324 -2.073 1 1 362 . 2 1 1 A 34 34 VAL CA C 40 60.415 59.541 0.874 1 1 363 . 2 1 1 A 34 34 VAL CB C 40 32.306 35.721 -3.415 1 1 366 . 2 1 1 A 34 34 VAL N N 40 115.971 118.242 -2.271 1 1 367 . 2 1 1 A 35 35 ARG H H 41 8.184 8.633 -0.449 1 1 368 . 2 1 1 A 35 35 ARG HA H 41 4.176 4.395 -0.219 1 1 375 . 2 1 1 A 35 35 ARG C C 41 176.886 177.725 -0.839 1 1 376 . 2 1 1 A 35 35 ARG CA C 41 55.599 55.438 0.161 1 1 377 . 2 1 1 A 35 35 ARG CB C 41 30.569 31.210 -0.641 1 1 380 . 2 1 1 A 35 35 ARG N N 41 125.397 125.054 0.343 1 1 381 . 2 1 1 A 36 36 LYS H H 42 8.493 8.614 -0.121 1 1 382 . 2 1 1 A 36 36 LYS HA H 42 3.778 4.218 -0.440 1 1 391 . 2 1 1 A 36 36 LYS C C 42 176.596 176.655 -0.059 1 1 392 . 2 1 1 A 36 36 LYS CA C 42 58.687 58.102 0.585 1 1 393 . 2 1 1 A 36 36 LYS CB C 42 31.959 32.106 -0.147 1 1 397 . 2 1 1 A 36 36 LYS N N 42 119.360 122.017 -2.657 1 1 398 . 2 1 1 A 37 37 ASN H H 43 8.513 7.778 0.735 1 1 399 . 2 1 1 A 37 37 ASN HA H 43 4.438 4.796 -0.358 1 1 404 . 2 1 1 A 37 37 ASN C C 43 173.867 175.034 -1.167 1 1 405 . 2 1 1 A 37 37 ASN CA C 43 55.127 53.888 1.239 1 1 406 . 2 1 1 A 37 37 ASN CB C 43 37.071 41.069 -3.998 1 1 407 . 2 1 1 A 37 37 ASN N N 43 115.488 114.986 0.502 1 1 409 . 2 1 1 A 38 38 GLU H H 44 7.793 7.790 0.003 1 1 410 . 2 1 1 A 38 38 GLU HA H 44 4.772 4.758 0.014 1 1 413 . 2 1 1 A 38 38 GLU C C 44 175.262 175.303 -0.041 1 1 414 . 2 1 1 A 38 38 GLU CA C 44 54.808 55.304 -0.496 1 1 415 . 2 1 1 A 38 38 GLU CB C 44 32.321 31.545 0.776 1 1 416 . 2 1 1 A 38 38 GLU N N 44 118.734 118.024 0.710 1 1 417 . 2 1 1 A 39 39 LYS H H 45 8.706 8.620 0.086 1 1 418 . 2 1 1 A 39 39 LYS HA H 45 4.606 4.891 -0.285 1 1 427 . 2 1 1 A 39 39 LYS C C 45 174.312 175.090 -0.778 1 1 428 . 2 1 1 A 39 39 LYS CA C 45 52.782 55.337 -2.555 1 1 429 . 2 1 1 A 39 39 LYS CB C 45 35.174 33.726 1.448 1 1 433 . 2 1 1 A 39 39 LYS N N 45 117.132 125.627 -8.495 1 1 434 . 2 1 1 A 40 40 LEU H H 46 9.085 8.991 0.094 1 1 435 . 2 1 1 A 40 40 LEU HA H 46 5.044 5.033 0.011 1 1 442 . 2 1 1 A 40 40 LEU C C 46 173.778 175.262 -1.484 1 1 443 . 2 1 1 A 40 40 LEU CA C 46 52.590 53.782 -1.192 1 1 444 . 2 1 1 A 40 40 LEU CB C 46 44.855 44.084 0.771 1 1 447 . 2 1 1 A 40 40 LEU N N 46 125.335 129.049 -3.714 1 1 448 . 2 1 1 A 41 41 LYS H H 47 9.263 9.109 0.154 1 1 449 . 2 1 1 A 41 41 LYS HA H 47 5.049 4.923 0.126 1 1 458 . 2 1 1 A 41 41 LYS C C 47 175.616 175.111 0.505 1 1 459 . 2 1 1 A 41 41 LYS CA C 47 53.864 55.753 -1.889 1 1 460 . 2 1 1 A 41 41 LYS CB C 47 32.986 33.565 -0.579 1 1 464 . 2 1 1 A 41 41 LYS N N 47 129.833 128.227 1.606 1 1 465 . 2 1 1 A 42 42 LEU H H 48 8.954 9.150 -0.196 1 1 466 . 2 1 1 A 42 42 LEU HA H 48 5.458 5.424 0.034 1 1 476 . 2 1 1 A 42 42 LEU C C 48 175.565 174.973 0.592 1 1 477 . 2 1 1 A 42 42 LEU CA C 48 51.964 53.487 -1.523 1 1 478 . 2 1 1 A 42 42 LEU CB C 48 44.393 45.472 -1.079 1 1 482 . 2 1 1 A 42 42 LEU N N 48 126.292 128.932 -2.640 1 1 483 . 2 1 1 A 43 43 ALA H H 49 8.804 8.888 -0.084 1 1 484 . 2 1 1 A 43 43 ALA HA H 49 5.304 5.168 0.136 1 1 488 . 2 1 1 A 43 43 ALA C C 49 176.301 175.773 0.528 1 1 489 . 2 1 1 A 43 43 ALA CA C 49 51.004 51.402 -0.398 1 1 490 . 2 1 1 A 43 43 ALA CB C 49 23.453 23.945 -0.492 1 1 491 . 2 1 1 A 43 43 ALA N N 49 120.789 127.106 -6.317 1 1 492 . 2 1 1 A 44 44 ALA H H 50 8.117 8.608 -0.491 1 1 493 . 2 1 1 A 44 44 ALA HA H 50 4.485 4.591 -0.106 1 1 497 . 2 1 1 A 44 44 ALA C C 50 176.254 176.785 -0.531 1 1 498 . 2 1 1 A 44 44 ALA CA C 50 53.021 51.641 1.380 1 1 499 . 2 1 1 A 44 44 ALA CB C 50 23.682 22.174 1.508 1 1 500 . 2 1 1 A 44 44 ALA N N 50 120.678 120.085 0.593 1 1 501 . 2 1 1 A 45 45 GLN H H 51 9.035 9.372 -0.337 1 1 502 . 2 1 1 A 45 45 GLN HA H 51 3.774 3.941 -0.167 1 1 509 . 2 1 1 A 45 45 GLN C C 51 175.259 174.981 0.278 1 1 510 . 2 1 1 A 45 45 GLN CA C 51 56.074 56.688 -0.614 1 1 511 . 2 1 1 A 45 45 GLN CB C 51 27.339 27.465 -0.126 1 1 513 . 2 1 1 A 45 45 GLN N N 51 116.299 122.569 -6.270 1 1 515 . 2 1 1 A 46 46 GLY H H 52 8.441 8.551 -0.110 1 1 516 . 2 1 1 A 46 46 GLY HA2 H 52 4.066 3.823 0.243 1 1 517 . 2 1 1 A 46 46 GLY HA3 H 52 3.510 3.825 -0.315 1 1 518 . 2 1 1 A 46 46 GLY C C 52 173.050 173.873 -0.823 1 1 519 . 2 1 1 A 46 46 GLY CA C 52 44.998 45.316 -0.318 1 1 520 . 2 1 1 A 46 46 GLY N N 52 105.419 105.213 0.206 1 1 521 . 2 1 1 A 47 47 ALA H H 53 8.152 7.627 0.525 1 1 522 . 2 1 1 A 47 47 ALA HA H 53 4.767 4.696 0.071 1 1 526 . 2 1 1 A 47 47 ALA C C 53 175.989 176.515 -0.526 1 1 527 . 2 1 1 A 47 47 ALA CA C 53 49.918 51.153 -1.235 1 1 528 . 2 1 1 A 47 47 ALA CB C 53 22.720 21.093 1.627 1 1 529 . 2 1 1 A 47 47 ALA N N 53 124.355 123.373 0.982 1 1 530 . 2 1 1 A 48 48 GLU H H 54 8.156 9.033 -0.877 1 1 531 . 2 1 1 A 48 48 GLU HA H 54 5.488 5.333 0.155 1 1 536 . 2 1 1 A 48 48 GLU C C 54 174.224 173.833 0.391 1 1 537 . 2 1 1 A 48 48 GLU CA C 54 54.346 54.774 -0.428 1 1 538 . 2 1 1 A 48 48 GLU CB C 54 34.305 33.931 0.374 1 1 540 . 2 1 1 A 48 48 GLU N N 54 116.655 116.575 0.080 1 1 541 . 2 1 1 A 49 49 LYS H H 55 8.852 9.086 -0.234 1 1 542 . 2 1 1 A 49 49 LYS HA H 55 4.190 4.975 -0.785 1 1 549 . 2 1 1 A 49 49 LYS C C 55 172.887 174.416 -1.529 1 1 550 . 2 1 1 A 49 49 LYS CA C 55 56.414 54.767 1.647 1 1 551 . 2 1 1 A 49 49 LYS CB C 55 34.723 35.934 -1.211 1 1 554 . 2 1 1 A 49 49 LYS N N 55 122.922 121.041 1.881 1 1 555 . 2 1 1 A 50 50 THR H H 56 7.910 8.469 -0.559 1 1 556 . 2 1 1 A 50 50 THR HA H 56 4.908 4.660 0.248 1 1 561 . 2 1 1 A 50 50 THR C C 56 173.112 173.219 -0.107 1 1 562 . 2 1 1 A 50 50 THR CA C 56 61.998 61.767 0.231 1 1 563 . 2 1 1 A 50 50 THR CB C 56 68.596 69.470 -0.874 1 1 565 . 2 1 1 A 50 50 THR N N 56 120.811 120.315 0.496 1 1 566 . 2 1 1 A 51 51 TYR H H 57 9.432 9.304 0.128 1 1 567 . 2 1 1 A 51 51 TYR HA H 57 4.493 5.016 -0.523 1 1 574 . 2 1 1 A 51 51 TYR C C 57 174.156 175.886 -1.730 1 1 575 . 2 1 1 A 51 51 TYR CA C 57 57.375 56.616 0.759 1 1 576 . 2 1 1 A 51 51 TYR CB C 57 41.895 40.694 1.201 1 1 577 . 2 1 1 A 51 51 TYR N N 57 127.372 126.785 0.587 1 1 578 . 2 1 1 A 52 52 GLY H H 58 9.154 8.533 0.621 1 1 579 . 2 1 1 A 52 52 GLY HA2 H 58 3.543 4.336 -0.793 1 1 580 . 2 1 1 A 52 52 GLY HA3 H 58 3.543 4.340 -0.797 1 1 581 . 2 1 1 A 52 52 GLY C C 58 172.527 173.007 -0.480 1 1 582 . 2 1 1 A 52 52 GLY CA C 58 42.304 45.388 -3.084 1 1 583 . 2 1 1 A 52 52 GLY N N 58 108.920 109.493 -0.573 1 1 584 . 2 1 1 A 53 53 ASN H H 59 8.877 9.188 -0.311 1 1 585 . 2 1 1 A 53 53 ASN HA H 59 4.034 4.363 -0.329 1 1 588 . 2 1 1 A 53 53 ASN C C 59 176.319 174.259 2.060 1 1 589 . 2 1 1 A 53 53 ASN CA C 59 57.108 55.179 1.929 1 1 590 . 2 1 1 A 53 53 ASN CB C 59 39.672 36.381 3.291 1 1 591 . 2 1 1 A 53 53 ASN N N 59 117.281 118.033 -0.752 1 1 592 . 2 1 1 A 54 54 GLY H H 60 8.949 7.972 0.977 1 1 593 . 2 1 1 A 54 54 GLY HA2 H 60 4.222 3.956 0.266 1 1 594 . 2 1 1 A 54 54 GLY HA3 H 60 3.348 3.989 -0.641 1 1 595 . 2 1 1 A 54 54 GLY C C 60 174.096 171.688 2.408 1 1 596 . 2 1 1 A 54 54 GLY CA C 60 44.931 45.277 -0.346 1 1 597 . 2 1 1 A 54 54 GLY N N 60 114.860 103.997 10.863 1 1 598 . 2 1 1 A 55 55 ASP H H 61 7.991 8.261 -0.270 1 1 599 . 2 1 1 A 55 55 ASP HA H 61 4.493 4.916 -0.423 1 1 602 . 2 1 1 A 55 55 ASP C C 61 174.727 174.427 0.300 1 1 603 . 2 1 1 A 55 55 ASP CA C 61 54.408 52.869 1.539 1 1 604 . 2 1 1 A 55 55 ASP CB C 61 41.780 42.469 -0.689 1 1 605 . 2 1 1 A 55 55 ASP N N 61 121.974 123.573 -1.599 1 1 606 . 2 1 1 A 56 56 SER H H 62 8.485 8.490 -0.005 1 1 607 . 2 1 1 A 56 56 SER HA H 62 4.959 5.181 -0.222 1 1 610 . 2 1 1 A 56 56 SER C C 62 173.099 172.885 0.214 1 1 611 . 2 1 1 A 56 56 SER CA C 62 57.154 57.570 -0.416 1 1 612 . 2 1 1 A 56 56 SER CB C 62 64.522 65.684 -1.162 1 1 613 . 2 1 1 A 56 56 SER N N 62 113.088 115.453 -2.365 1 1 614 . 2 1 1 A 57 57 LEU H H 63 9.004 8.926 0.078 1 1 615 . 2 1 1 A 57 57 LEU HA H 63 4.500 4.945 -0.445 1 1 625 . 2 1 1 A 57 57 LEU C C 63 175.943 174.805 1.138 1 1 626 . 2 1 1 A 57 57 LEU CA C 63 53.070 53.980 -0.910 1 1 627 . 2 1 1 A 57 57 LEU CB C 63 43.800 45.860 -2.060 1 1 630 . 2 1 1 A 57 57 LEU N N 63 126.423 123.833 2.590 1 1 631 . 2 1 1 A 58 58 ASN H H 64 8.484 8.659 -0.175 1 1 632 . 2 1 1 A 58 58 ASN HA H 64 4.752 5.054 -0.302 1 1 635 . 2 1 1 A 58 58 ASN C C 64 173.916 175.120 -1.204 1 1 636 . 2 1 1 A 58 58 ASN CA C 64 50.587 53.388 -2.801 1 1 637 . 2 1 1 A 58 58 ASN CB C 64 35.153 38.944 -3.791 1 1 638 . 2 1 1 A 58 58 ASN N N 64 125.624 124.198 1.426 1 1 639 . 2 1 1 A 59 59 THR H H 65 7.747 8.303 -0.556 1 1 640 . 2 1 1 A 59 59 THR HA H 65 4.770 4.601 0.169 1 1 645 . 2 1 1 A 59 59 THR C C 65 177.245 173.631 3.614 1 1 646 . 2 1 1 A 59 59 THR CA C 65 63.213 61.155 2.058 1 1 647 . 2 1 1 A 59 59 THR CB C 65 63.510 69.584 -6.074 1 1 649 . 2 1 1 A 59 59 THR N N 65 113.770 117.935 -4.165 1 1 650 . 2 1 1 A 60 60 GLY H H 66 8.869 8.502 0.367 1 1 651 . 2 1 1 A 60 60 GLY HA2 H 66 3.839 4.119 -0.280 1 1 652 . 2 1 1 A 60 60 GLY HA3 H 66 3.724 4.127 -0.403 1 1 653 . 2 1 1 A 60 60 GLY C C 66 173.279 173.402 -0.123 1 1 654 . 2 1 1 A 60 60 GLY CA C 66 44.892 45.013 -0.121 1 1 655 . 2 1 1 A 60 60 GLY N N 66 114.430 113.109 1.321 1 1 656 . 2 1 1 A 61 61 LYS H H 67 6.376 8.460 -2.084 1 1 657 . 2 1 1 A 61 61 LYS HA H 67 4.021 4.373 -0.352 1 1 666 . 2 1 1 A 61 61 LYS C C 67 176.315 176.945 -0.630 1 1 667 . 2 1 1 A 61 61 LYS CA C 67 54.298 55.154 -0.856 1 1 668 . 2 1 1 A 61 61 LYS CB C 67 32.200 30.591 1.609 1 1 672 . 2 1 1 A 61 61 LYS N N 67 112.620 122.233 -9.613 1 1 673 . 2 1 1 A 62 62 LEU H H 68 7.335 8.074 -0.739 1 1 674 . 2 1 1 A 62 62 LEU HA H 68 4.275 4.443 -0.168 1 1 684 . 2 1 1 A 62 62 LEU C C 68 176.306 176.642 -0.336 1 1 685 . 2 1 1 A 62 62 LEU CA C 68 52.479 54.976 -2.497 1 1 686 . 2 1 1 A 62 62 LEU CB C 68 40.600 42.583 -1.983 1 1 689 . 2 1 1 A 62 62 LEU N N 68 116.704 122.512 -5.808 1 1 690 . 2 1 1 A 63 63 LYS H H 69 8.506 7.492 1.014 1 1 691 . 2 1 1 A 63 63 LYS HA H 69 3.992 4.780 -0.788 1 1 700 . 2 1 1 A 63 63 LYS C C 69 175.886 176.405 -0.519 1 1 701 . 2 1 1 A 63 63 LYS CA C 69 54.986 54.496 0.490 1 1 702 . 2 1 1 A 63 63 LYS CB C 69 32.447 36.872 -4.425 1 1 706 . 2 1 1 A 63 63 LYS N N 69 119.841 117.838 2.003 1 1 707 . 2 1 1 A 64 64 ASN H H 70 8.080 8.536 -0.456 1 1 708 . 2 1 1 A 64 64 ASN HA H 70 3.839 4.459 -0.620 1 1 713 . 2 1 1 A 64 64 ASN C C 70 174.449 175.781 -1.332 1 1 714 . 2 1 1 A 64 64 ASN CA C 70 54.417 56.283 -1.866 1 1 715 . 2 1 1 A 64 64 ASN CB C 70 38.129 38.854 -0.725 1 1 716 . 2 1 1 A 64 64 ASN N N 70 121.515 119.668 1.847 1 1 718 . 2 1 1 A 65 65 ASP H H 71 9.218 7.697 1.521 1 1 719 . 2 1 1 A 65 65 ASP HA H 71 3.690 5.009 -1.319 1 1 722 . 2 1 1 A 65 65 ASP C C 71 173.016 175.315 -2.299 1 1 723 . 2 1 1 A 65 65 ASP CA C 71 54.726 53.133 1.593 1 1 724 . 2 1 1 A 65 65 ASP CB C 71 38.534 40.628 -2.094 1 1 725 . 2 1 1 A 65 65 ASP N N 71 113.370 112.577 0.793 1 1 726 . 2 1 1 A 66 66 LYS H H 72 6.443 8.515 -2.072 1 1 727 . 2 1 1 A 66 66 LYS HA H 72 4.411 4.967 -0.556 1 1 734 . 2 1 1 A 66 66 LYS C C 72 174.745 175.143 -0.398 1 1 735 . 2 1 1 A 66 66 LYS CA C 72 53.094 54.518 -1.424 1 1 736 . 2 1 1 A 66 66 LYS CB C 72 36.099 35.867 0.232 1 1 739 . 2 1 1 A 66 66 LYS N N 72 113.415 118.176 -4.761 1 1 740 . 2 1 1 A 67 67 VAL H H 73 8.679 8.162 0.517 1 1 741 . 2 1 1 A 67 67 VAL HA H 73 4.189 4.404 -0.215 1 1 749 . 2 1 1 A 67 67 VAL C C 73 176.630 175.477 1.153 1 1 750 . 2 1 1 A 67 67 VAL CA C 73 62.135 61.049 1.086 1 1 751 . 2 1 1 A 67 67 VAL CB C 73 32.001 32.621 -0.620 1 1 753 . 2 1 1 A 67 67 VAL N N 73 122.098 118.795 3.303 1 1 754 . 2 1 1 A 68 68 SER H H 74 9.497 8.764 0.733 1 1 755 . 2 1 1 A 68 68 SER HA H 74 4.507 4.844 -0.337 1 1 758 . 2 1 1 A 68 68 SER C C 74 172.249 173.955 -1.706 1 1 759 . 2 1 1 A 68 68 SER CA C 74 58.323 57.979 0.344 1 1 760 . 2 1 1 A 68 68 SER CB C 74 64.028 64.603 -0.575 1 1 761 . 2 1 1 A 68 68 SER N N 74 127.048 122.591 4.457 1 1 762 . 2 1 1 A 69 69 ARG H H 75 7.848 8.257 -0.409 1 1 763 . 2 1 1 A 69 69 ARG HA H 75 5.031 4.753 0.278 1 1 770 . 2 1 1 A 69 69 ARG C C 75 173.300 175.429 -2.129 1 1 771 . 2 1 1 A 69 69 ARG CA C 75 55.337 55.407 -0.070 1 1 772 . 2 1 1 A 69 69 ARG CB C 75 31.871 31.492 0.379 1 1 775 . 2 1 1 A 69 69 ARG N N 75 122.621 121.604 1.017 1 1 776 . 2 1 1 A 70 70 PHE H H 76 9.246 8.779 0.467 1 1 777 . 2 1 1 A 70 70 PHE HA H 76 4.808 5.095 -0.287 1 1 784 . 2 1 1 A 70 70 PHE C C 76 175.788 174.021 1.767 1 1 785 . 2 1 1 A 70 70 PHE CA C 76 55.245 56.586 -1.341 1 1 786 . 2 1 1 A 70 70 PHE CB C 76 43.645 43.603 0.042 1 1 787 . 2 1 1 A 70 70 PHE N N 76 118.087 120.267 -2.180 1 1 788 . 2 1 1 A 71 71 ASP H H 77 9.144 8.764 0.380 1 1 789 . 2 1 1 A 71 71 ASP HA H 77 5.360 5.740 -0.380 1 1 792 . 2 1 1 A 71 71 ASP C C 77 176.477 175.352 1.125 1 1 793 . 2 1 1 A 71 71 ASP CA C 77 55.131 53.087 2.044 1 1 794 . 2 1 1 A 71 71 ASP CB C 77 41.301 44.490 -3.189 1 1 795 . 2 1 1 A 71 71 ASP N N 77 123.565 120.433 3.132 1 1 796 . 2 1 1 A 72 72 PHE H H 78 9.094 8.853 0.241 1 1 797 . 2 1 1 A 72 72 PHE HA H 78 6.431 5.659 0.772 1 1 805 . 2 1 1 A 72 72 PHE C C 78 174.014 172.937 1.077 1 1 806 . 2 1 1 A 72 72 PHE CA C 78 54.934 55.913 -0.979 1 1 807 . 2 1 1 A 72 72 PHE CB C 78 42.491 42.954 -0.463 1 1 808 . 2 1 1 A 72 72 PHE N N 78 119.663 117.546 2.117 1 1 809 . 2 1 1 A 73 73 ILE H H 79 8.623 9.067 -0.444 1 1 810 . 2 1 1 A 73 73 ILE HA H 79 4.334 5.270 -0.936 1 1 820 . 2 1 1 A 73 73 ILE C C 79 173.961 174.549 -0.588 1 1 821 . 2 1 1 A 73 73 ILE CA C 79 61.222 59.334 1.888 1 1 822 . 2 1 1 A 73 73 ILE CB C 79 41.918 42.461 -0.543 1 1 826 . 2 1 1 A 73 73 ILE N N 79 119.750 117.591 2.159 1 1 827 . 2 1 1 A 74 74 ARG H H 80 9.052 8.660 0.392 1 1 828 . 2 1 1 A 74 74 ARG HA H 80 5.311 5.045 0.266 1 1 835 . 2 1 1 A 74 74 ARG C C 80 174.870 174.237 0.633 1 1 836 . 2 1 1 A 74 74 ARG CA C 80 54.449 54.566 -0.117 1 1 837 . 2 1 1 A 74 74 ARG CB C 80 33.740 32.089 1.651 1 1 840 . 2 1 1 A 74 74 ARG N N 80 128.407 122.426 5.981 1 1 841 . 2 1 1 A 75 75 GLN H H 81 9.304 9.299 0.005 1 1 842 . 2 1 1 A 75 75 GLN HA H 81 5.562 4.990 0.572 1 1 849 . 2 1 1 A 75 75 GLN C C 81 173.678 174.982 -1.304 1 1 850 . 2 1 1 A 75 75 GLN CA C 81 53.745 54.908 -1.163 1 1 851 . 2 1 1 A 75 75 GLN CB C 81 34.013 30.166 3.847 1 1 853 . 2 1 1 A 75 75 GLN N N 81 125.481 125.408 0.073 1 1 855 . 2 1 1 A 76 76 ILE H H 82 8.592 8.283 0.309 1 1 856 . 2 1 1 A 76 76 ILE HA H 82 4.576 4.760 -0.184 1 1 866 . 2 1 1 A 76 76 ILE C C 82 172.511 173.856 -1.345 1 1 867 . 2 1 1 A 76 76 ILE CA C 82 59.622 59.205 0.417 1 1 868 . 2 1 1 A 76 76 ILE CB C 82 42.248 41.718 0.530 1 1 872 . 2 1 1 A 76 76 ILE N N 82 115.536 125.411 -9.875 1 1 873 . 2 1 1 A 77 77 GLU H H 83 8.433 8.636 -0.203 1 1 874 . 2 1 1 A 77 77 GLU HA H 83 4.936 4.618 0.318 1 1 879 . 2 1 1 A 77 77 GLU C C 83 175.614 175.553 0.061 1 1 880 . 2 1 1 A 77 77 GLU CA C 83 54.812 55.358 -0.546 1 1 881 . 2 1 1 A 77 77 GLU CB C 83 30.465 27.909 2.556 1 1 883 . 2 1 1 A 77 77 GLU N N 83 124.858 129.127 -4.269 1 1 884 . 2 1 1 A 78 78 VAL H H 84 8.879 7.479 1.400 1 1 885 . 2 1 1 A 78 78 VAL HA H 84 4.076 3.973 0.103 1 1 893 . 2 1 1 A 78 78 VAL C C 84 175.694 175.476 0.218 1 1 894 . 2 1 1 A 78 78 VAL CA C 84 61.382 62.841 -1.459 1 1 895 . 2 1 1 A 78 78 VAL CB C 84 34.014 31.556 2.458 1 1 897 . 2 1 1 A 78 78 VAL N N 84 126.973 119.384 7.589 1 1 898 . 2 1 1 A 79 79 ASP H H 85 9.329 9.389 -0.060 1 1 899 . 2 1 1 A 79 79 ASP HA H 85 4.156 4.273 -0.117 1 1 902 . 2 1 1 A 79 79 ASP C C 85 175.774 175.882 -0.108 1 1 903 . 2 1 1 A 79 79 ASP CA C 85 55.125 55.238 -0.113 1 1 904 . 2 1 1 A 79 79 ASP CB C 85 38.926 39.273 -0.347 1 1 905 . 2 1 1 A 79 79 ASP N N 85 129.387 123.190 6.197 1 1 906 . 2 1 1 A 80 80 GLY H H 86 8.575 8.511 0.064 1 1 907 . 2 1 1 A 80 80 GLY HA2 H 86 3.992 3.884 0.108 1 1 908 . 2 1 1 A 80 80 GLY HA3 H 86 3.507 3.886 -0.379 1 1 909 . 2 1 1 A 80 80 GLY C C 86 173.366 173.807 -0.441 1 1 910 . 2 1 1 A 80 80 GLY CA C 86 44.759 45.723 -0.964 1 1 911 . 2 1 1 A 80 80 GLY N N 86 103.293 104.270 -0.977 1 1 912 . 2 1 1 A 81 81 GLN H H 87 7.751 7.950 -0.199 1 1 913 . 2 1 1 A 81 81 GLN HA H 87 4.482 4.898 -0.416 1 1 918 . 2 1 1 A 81 81 GLN C C 87 173.874 174.427 -0.553 1 1 919 . 2 1 1 A 81 81 GLN CA C 87 53.328 53.847 -0.519 1 1 920 . 2 1 1 A 81 81 GLN CB C 87 30.670 32.284 -1.614 1 1 922 . 2 1 1 A 81 81 GLN N N 87 119.688 118.958 0.730 1 1 923 . 2 1 1 A 82 82 LEU H H 88 8.418 9.131 -0.713 1 1 924 . 2 1 1 A 82 82 LEU HA H 88 4.630 4.871 -0.241 1 1 934 . 2 1 1 A 82 82 LEU C C 88 176.289 175.412 0.877 1 1 935 . 2 1 1 A 82 82 LEU CA C 88 53.834 54.010 -0.176 1 1 936 . 2 1 1 A 82 82 LEU CB C 88 41.737 42.026 -0.289 1 1 940 . 2 1 1 A 82 82 LEU N N 88 123.523 122.702 0.821 1 1 941 . 2 1 1 A 83 83 ILE H H 89 9.146 8.950 0.196 1 1 942 . 2 1 1 A 83 83 ILE HA H 89 4.249 4.814 -0.565 1 1 952 . 2 1 1 A 83 83 ILE C C 89 175.698 175.333 0.365 1 1 953 . 2 1 1 A 83 83 ILE CA C 89 59.363 60.072 -0.709 1 1 954 . 2 1 1 A 83 83 ILE CB C 89 39.633 40.148 -0.515 1 1 958 . 2 1 1 A 83 83 ILE N N 89 127.151 125.429 1.722 1 1 959 . 2 1 1 A 84 84 THR H H 90 8.656 8.881 -0.225 1 1 960 . 2 1 1 A 84 84 THR HA H 90 4.203 4.917 -0.714 1 1 965 . 2 1 1 A 84 84 THR C C 90 172.890 175.098 -2.208 1 1 966 . 2 1 1 A 84 84 THR CA C 90 62.641 61.072 1.569 1 1 967 . 2 1 1 A 84 84 THR CB C 90 68.634 70.386 -1.752 1 1 969 . 2 1 1 A 84 84 THR N N 90 123.099 122.094 1.005 1 1 970 . 2 1 1 A 85 85 LEU H H 91 8.967 7.645 1.322 1 1 971 . 2 1 1 A 85 85 LEU HA H 91 4.256 4.576 -0.320 1 1 980 . 2 1 1 A 85 85 LEU C C 91 177.371 175.796 1.575 1 1 981 . 2 1 1 A 85 85 LEU CA C 91 55.527 53.992 1.535 1 1 982 . 2 1 1 A 85 85 LEU CB C 91 44.315 41.882 2.433 1 1 984 . 2 1 1 A 85 85 LEU N N 91 125.333 121.826 3.507 1 1 985 . 2 1 1 A 86 86 GLU H H 92 7.503 7.667 -0.164 1 1 986 . 2 1 1 A 86 86 GLU HA H 92 5.026 4.787 0.239 1 1 991 . 2 1 1 A 86 86 GLU C C 92 172.723 175.436 -2.713 1 1 992 . 2 1 1 A 86 86 GLU CA C 92 54.670 55.535 -0.865 1 1 993 . 2 1 1 A 86 86 GLU CB C 92 33.717 30.357 3.360 1 1 995 . 2 1 1 A 86 86 GLU N N 92 116.655 119.998 -3.343 1 1 996 . 2 1 1 A 87 87 SER H H 93 8.954 8.479 0.475 1 1 997 . 2 1 1 A 87 87 SER HA H 93 4.245 5.422 -1.177 1 1 1000 . 2 1 1 A 87 87 SER C C 93 172.763 173.559 -0.796 1 1 1001 . 2 1 1 A 87 87 SER CA C 93 57.328 56.151 1.177 1 1 1002 . 2 1 1 A 87 87 SER CB C 93 65.493 65.443 0.050 1 1 1003 . 2 1 1 A 87 87 SER N N 93 117.941 118.935 -0.994 1 1 1004 . 2 1 1 A 88 88 GLY H H 94 6.932 7.738 -0.806 1 1 1005 . 2 1 1 A 88 88 GLY HA2 H 94 3.694 3.711 -0.017 1 1 1006 . 2 1 1 A 88 88 GLY HA3 H 94 3.694 4.146 -0.452 1 1 1007 . 2 1 1 A 88 88 GLY C C 94 171.117 171.653 -0.536 1 1 1008 . 2 1 1 A 88 88 GLY CA C 94 46.575 45.101 1.474 1 1 1009 . 2 1 1 A 88 88 GLY N N 94 108.625 109.233 -0.608 1 1 1010 . 2 1 1 A 89 89 GLU H H 95 9.669 8.940 0.729 1 1 1011 . 2 1 1 A 89 89 GLU HA H 95 5.642 5.292 0.350 1 1 1016 . 2 1 1 A 89 89 GLU C C 95 173.226 174.524 -1.298 1 1 1017 . 2 1 1 A 89 89 GLU CA C 95 54.786 55.084 -0.298 1 1 1018 . 2 1 1 A 89 89 GLU CB C 95 34.334 33.846 0.488 1 1 1020 . 2 1 1 A 89 89 GLU N N 95 128.231 120.076 8.155 1 1 1021 . 2 1 1 A 90 90 PHE H H 96 10.365 8.981 1.384 1 1 1022 . 2 1 1 A 90 90 PHE HA H 96 5.048 4.829 0.219 1 1 1029 . 2 1 1 A 90 90 PHE C C 96 173.039 173.832 -0.793 1 1 1030 . 2 1 1 A 90 90 PHE CA C 96 54.616 57.675 -3.059 1 1 1031 . 2 1 1 A 90 90 PHE CB C 96 42.090 41.063 1.027 1 1 1032 . 2 1 1 A 90 90 PHE N N 96 131.583 126.002 5.581 1 1 1033 . 2 1 1 A 91 91 GLN H H 97 8.685 8.276 0.409 1 1 1034 . 2 1 1 A 91 91 GLN HA H 97 4.959 4.863 0.096 1 1 1041 . 2 1 1 A 91 91 GLN C C 97 174.151 174.655 -0.504 1 1 1042 . 2 1 1 A 91 91 GLN CA C 97 53.174 55.473 -2.299 1 1 1043 . 2 1 1 A 91 91 GLN CB C 97 28.812 29.645 -0.833 1 1 1045 . 2 1 1 A 91 91 GLN N N 97 126.465 126.471 -0.006 1 1 1047 . 2 1 1 A 92 92 VAL H H 98 8.675 8.849 -0.174 1 1 1048 . 2 1 1 A 92 92 VAL HA H 98 4.569 4.394 0.175 1 1 1056 . 2 1 1 A 92 92 VAL C C 98 173.802 174.262 -0.460 1 1 1057 . 2 1 1 A 92 92 VAL CA C 98 59.715 61.204 -1.489 1 1 1058 . 2 1 1 A 92 92 VAL CB C 98 35.074 32.835 2.239 1 1 1061 . 2 1 1 A 92 92 VAL N N 98 118.841 125.724 -6.883 1 1 1062 . 2 1 1 A 93 93 TYR H H 99 8.896 9.025 -0.129 1 1 1063 . 2 1 1 A 93 93 TYR HA H 99 4.940 4.531 0.409 1 1 1070 . 2 1 1 A 93 93 TYR C C 99 173.330 174.182 -0.852 1 1 1071 . 2 1 1 A 93 93 TYR CA C 99 56.948 57.355 -0.407 1 1 1072 . 2 1 1 A 93 93 TYR CB C 99 40.780 38.345 2.435 1 1 1073 . 2 1 1 A 93 93 TYR N N 99 127.563 128.471 -0.908 1 1 1074 . 2 1 1 A 94 94 LYS H H 100 5.813 9.233 -3.420 1 1 1075 . 2 1 1 A 94 94 LYS HA H 100 4.248 4.795 -0.547 1 1 1082 . 2 1 1 A 94 94 LYS CA C 100 55.660 55.373 0.287 1 1 1083 . 2 1 1 A 94 94 LYS CB C 100 35.870 33.526 2.344 1 1 1084 . 2 1 1 A 94 94 LYS N N 100 128.378 128.861 -0.483 1 1 1085 . 2 1 1 A 95 95 GLN H H 101 8.438 8.557 -0.119 1 1 1086 . 2 1 1 A 95 95 GLN HA H 101 5.028 4.561 0.467 1 1 1091 . 2 1 1 A 95 95 GLN C C 101 174.080 177.543 -3.463 1 1 1092 . 2 1 1 A 95 95 GLN CA C 101 54.043 54.575 -0.532 1 1 1093 . 2 1 1 A 95 95 GLN CB C 101 27.209 30.300 -3.091 1 1 1095 . 2 1 1 A 95 95 GLN N N 101 125.809 127.033 -1.224 1 1 1096 . 2 1 1 A 96 96 SER H H 102 9.057 8.736 0.321 1 1 1097 . 2 1 1 A 96 96 SER HA H 102 3.041 3.978 -0.937 1 1 1100 . 2 1 1 A 96 96 SER CA C 102 62.985 60.206 2.779 1 1 1101 . 2 1 1 A 96 96 SER CB C 102 63.242 62.443 0.799 1 1 1102 . 2 1 1 A 96 96 SER N N 102 117.650 117.678 -0.028 1 1 1103 . 2 1 1 A 97 97 HIS H H 103 10.115 6.887 3.228 1 1 1104 . 2 1 1 A 97 97 HIS HA H 103 4.406 4.755 -0.349 1 1 1109 . 2 1 1 A 97 97 HIS CA C 103 53.809 56.627 -2.818 1 1 1110 . 2 1 1 A 97 97 HIS CB C 103 30.329 31.511 -1.182 1 1 1111 . 2 1 1 A 97 97 HIS N N 103 118.385 115.657 2.728 1 1 1112 . 2 1 1 A 98 98 SER H H 104 7.241 8.486 -1.245 1 1 1113 . 2 1 1 A 98 98 SER HA H 104 4.406 4.304 0.102 1 1 1116 . 2 1 1 A 98 98 SER CA C 104 56.712 58.685 -1.973 1 1 1117 . 2 1 1 A 98 98 SER CB C 104 65.461 64.011 1.450 1 1 1118 . 2 1 1 A 98 98 SER N N 104 112.298 113.152 -0.854 1 1 1119 . 2 1 1 A 99 99 ALA H H 105 8.418 8.361 0.057 1 1 1120 . 2 1 1 A 99 99 ALA HA H 105 4.753 5.093 -0.340 1 1 1124 . 2 1 1 A 99 99 ALA C C 105 173.181 175.975 -2.794 1 1 1125 . 2 1 1 A 99 99 ALA CA C 105 51.363 51.730 -0.367 1 1 1126 . 2 1 1 A 99 99 ALA CB C 105 22.271 23.674 -1.403 1 1 1127 . 2 1 1 A 99 99 ALA N N 105 116.790 123.142 -6.352 1 1 1128 . 2 1 1 A 100 100 LEU H H 106 8.376 8.392 -0.016 1 1 1129 . 2 1 1 A 100 100 LEU HA H 106 5.549 5.306 0.243 1 1 1139 . 2 1 1 A 100 100 LEU C C 106 175.338 174.860 0.478 1 1 1140 . 2 1 1 A 100 100 LEU CA C 106 53.753 53.264 0.489 1 1 1141 . 2 1 1 A 100 100 LEU CB C 106 46.393 46.318 0.075 1 1 1145 . 2 1 1 A 100 100 LEU N N 106 115.214 116.585 -1.371 1 1 1146 . 2 1 1 A 101 101 THR H H 107 8.685 8.923 -0.238 1 1 1147 . 2 1 1 A 101 101 THR HA H 107 5.287 4.917 0.370 1 1 1152 . 2 1 1 A 101 101 THR C C 107 172.493 173.109 -0.616 1 1 1153 . 2 1 1 A 101 101 THR CA C 107 57.069 59.531 -2.462 1 1 1154 . 2 1 1 A 101 101 THR CB C 107 71.308 71.557 -0.249 1 1 1156 . 2 1 1 A 101 101 THR N N 107 109.441 115.703 -6.262 1 1 1157 . 2 1 1 A 102 102 ALA H H 108 8.459 8.003 0.456 1 1 1158 . 2 1 1 A 102 102 ALA HA H 108 4.366 5.087 -0.721 1 1 1162 . 2 1 1 A 102 102 ALA C C 108 173.439 175.630 -2.191 1 1 1163 . 2 1 1 A 102 102 ALA CA C 108 51.015 50.420 0.595 1 1 1164 . 2 1 1 A 102 102 ALA CB C 108 23.424 23.044 0.380 1 1 1165 . 2 1 1 A 102 102 ALA N N 108 120.716 126.239 -5.523 1 1 1166 . 2 1 1 A 103 103 PHE H H 109 8.510 8.902 -0.392 1 1 1167 . 2 1 1 A 103 103 PHE HA H 109 4.715 5.352 -0.637 1 1 1175 . 2 1 1 A 103 103 PHE C C 109 174.173 174.825 -0.652 1 1 1176 . 2 1 1 A 103 103 PHE CA C 109 56.640 56.615 0.025 1 1 1177 . 2 1 1 A 103 103 PHE CB C 109 41.926 41.758 0.168 1 1 1178 . 2 1 1 A 103 103 PHE N N 109 115.041 119.609 -4.568 1 1 1179 . 2 1 1 A 104 104 GLN H H 110 9.832 8.785 1.047 1 1 1180 . 2 1 1 A 104 104 GLN HA H 110 5.226 5.169 0.057 1 1 1187 . 2 1 1 A 104 104 GLN C C 110 175.186 173.920 1.266 1 1 1188 . 2 1 1 A 104 104 GLN CA C 110 53.213 55.150 -1.937 1 1 1189 . 2 1 1 A 104 104 GLN CB C 110 29.161 32.996 -3.835 1 1 1191 . 2 1 1 A 104 104 GLN N N 110 124.526 120.985 3.541 1 1 1193 . 2 1 1 A 105 105 THR H H 111 9.566 8.739 0.827 1 1 1194 . 2 1 1 A 105 105 THR HA H 111 4.186 5.135 -0.949 1 1 1199 . 2 1 1 A 105 105 THR C C 111 174.538 173.254 1.284 1 1 1200 . 2 1 1 A 105 105 THR CA C 111 66.408 60.009 6.399 1 1 1201 . 2 1 1 A 105 105 THR CB C 111 69.385 71.696 -2.311 1 1 1203 . 2 1 1 A 105 105 THR N N 111 126.760 118.991 7.769 1 1 1204 . 2 1 1 A 106 106 GLU H H 112 9.303 9.201 0.102 1 1 1205 . 2 1 1 A 106 106 GLU HA H 112 4.811 4.746 0.065 1 1 1210 . 2 1 1 A 106 106 GLU C C 112 177.397 176.173 1.224 1 1 1211 . 2 1 1 A 106 106 GLU CA C 112 56.227 56.121 0.106 1 1 1212 . 2 1 1 A 106 106 GLU CB C 112 31.283 31.617 -0.334 1 1 1214 . 2 1 1 A 106 106 GLU N N 112 121.685 124.293 -2.608 1 1 1215 . 2 1 1 A 107 107 GLN H H 113 7.954 8.008 -0.054 1 1 1216 . 2 1 1 A 107 107 GLN HA H 113 5.233 4.896 0.337 1 1 1221 . 2 1 1 A 107 107 GLN C C 113 173.999 173.966 0.033 1 1 1222 . 2 1 1 A 107 107 GLN CA C 113 53.837 54.277 -0.440 1 1 1223 . 2 1 1 A 107 107 GLN CB C 113 32.543 30.864 1.679 1 1 1225 . 2 1 1 A 107 107 GLN N N 113 117.612 117.033 0.579 1 1 1226 . 2 1 1 A 108 108 ILE H H 114 8.969 8.435 0.534 1 1 1227 . 2 1 1 A 108 108 ILE HA H 114 4.907 4.858 0.049 1 1 1237 . 2 1 1 A 108 108 ILE C C 114 174.089 173.434 0.655 1 1 1238 . 2 1 1 A 108 108 ILE CA C 114 58.954 59.198 -0.244 1 1 1239 . 2 1 1 A 108 108 ILE CB C 114 42.799 42.085 0.714 1 1 1243 . 2 1 1 A 108 108 ILE N N 114 115.049 124.453 -9.404 1 1 1244 . 2 1 1 A 109 109 GLN H H 115 7.421 8.435 -1.014 1 1 1245 . 2 1 1 A 109 109 GLN HA H 115 4.405 4.703 -0.298 1 1 1252 . 2 1 1 A 109 109 GLN C C 115 175.654 174.836 0.818 1 1 1253 . 2 1 1 A 109 109 GLN CA C 115 56.086 55.917 0.169 1 1 1254 . 2 1 1 A 109 109 GLN CB C 115 28.483 30.285 -1.802 1 1 1256 . 2 1 1 A 109 109 GLN N N 115 121.959 126.883 -4.924 1 1 1258 . 2 1 1 A 110 110 ASP H H 116 8.569 8.852 -0.283 1 1 1259 . 2 1 1 A 110 110 ASP HA H 116 4.377 5.278 -0.901 1 1 1262 . 2 1 1 A 110 110 ASP C C 116 176.662 175.725 0.937 1 1 1263 . 2 1 1 A 110 110 ASP CA C 116 53.511 52.814 0.697 1 1 1264 . 2 1 1 A 110 110 ASP CB C 116 41.187 44.034 -2.847 1 1 1265 . 2 1 1 A 110 110 ASP N N 116 125.621 120.157 5.464 1 1 1266 . 2 1 1 A 111 111 SER H H 117 8.445 9.064 -0.619 1 1 1267 . 2 1 1 A 111 111 SER HA H 117 4.024 4.605 -0.581 1 1 1270 . 2 1 1 A 111 111 SER C C 117 174.783 175.075 -0.292 1 1 1271 . 2 1 1 A 111 111 SER CA C 117 60.782 58.543 2.239 1 1 1272 . 2 1 1 A 111 111 SER CB C 117 62.560 63.535 -0.975 1 1 1273 . 2 1 1 A 111 111 SER N N 117 120.732 120.346 0.386 1 1 1274 . 2 1 1 A 112 112 GLU H H 118 8.246 8.113 0.133 1 1 1275 . 2 1 1 A 112 112 GLU HA H 118 4.044 4.191 -0.147 1 1 1280 . 2 1 1 A 112 112 GLU C C 118 175.899 177.527 -1.628 1 1 1281 . 2 1 1 A 112 112 GLU CA C 118 56.016 59.058 -3.042 1 1 1282 . 2 1 1 A 112 112 GLU CB C 118 29.853 30.090 -0.237 1 1 1284 . 2 1 1 A 112 112 GLU N N 118 119.367 121.723 -2.356 1 1 1285 . 2 1 1 A 113 113 HIS H H 119 7.418 7.862 -0.444 1 1 1286 . 2 1 1 A 113 113 HIS HA H 119 4.607 4.761 -0.154 1 1 1291 . 2 1 1 A 113 113 HIS C C 119 173.527 174.903 -1.376 1 1 1292 . 2 1 1 A 113 113 HIS CA C 119 54.515 55.396 -0.881 1 1 1293 . 2 1 1 A 113 113 HIS CB C 119 28.667 29.629 -0.962 1 1 1294 . 2 1 1 A 113 113 HIS N N 119 117.287 120.307 -3.020 1 1 1295 . 2 1 1 A 114 114 SER H H 120 8.398 8.207 0.191 1 1 1296 . 2 1 1 A 114 114 SER HA H 120 4.183 4.024 0.159 1 1 1299 . 2 1 1 A 114 114 SER C C 120 175.690 173.645 2.045 1 1 1300 . 2 1 1 A 114 114 SER CA C 120 59.149 59.221 -0.072 1 1 1301 . 2 1 1 A 114 114 SER CB C 120 62.820 62.357 0.463 1 1 1302 . 2 1 1 A 114 114 SER N N 120 116.771 115.412 1.359 1 1 1303 . 2 1 1 A 115 115 GLY H H 121 8.733 7.939 0.794 1 1 1304 . 2 1 1 A 115 115 GLY HA2 H 121 4.052 4.119 -0.067 1 1 1305 . 2 1 1 A 115 115 GLY HA3 H 121 3.724 4.133 -0.409 1 1 1306 . 2 1 1 A 115 115 GLY C C 121 173.540 174.605 -1.065 1 1 1307 . 2 1 1 A 115 115 GLY CA C 121 44.692 45.082 -0.390 1 1 1308 . 2 1 1 A 115 115 GLY N N 121 112.197 106.471 5.726 1 1 1309 . 2 1 1 A 116 116 LYS H H 122 7.796 7.529 0.267 1 1 1310 . 2 1 1 A 116 116 LYS HA H 122 4.465 4.633 -0.168 1 1 1317 . 2 1 1 A 116 116 LYS C C 122 175.090 175.683 -0.593 1 1 1318 . 2 1 1 A 116 116 LYS CA C 122 55.122 55.366 -0.244 1 1 1319 . 2 1 1 A 116 116 LYS CB C 122 33.861 34.641 -0.780 1 1 1322 . 2 1 1 A 116 116 LYS N N 122 120.212 119.952 0.260 1 1 1323 . 2 1 1 A 117 117 MET H H 123 8.348 8.543 -0.195 1 1 1324 . 2 1 1 A 117 117 MET HA H 123 5.082 5.169 -0.087 1 1 1332 . 2 1 1 A 117 117 MET C C 123 176.210 174.649 1.561 1 1 1333 . 2 1 1 A 117 117 MET CA C 123 52.928 53.682 -0.754 1 1 1334 . 2 1 1 A 117 117 MET CB C 123 33.841 35.955 -2.114 1 1 1337 . 2 1 1 A 117 117 MET N N 123 119.755 117.776 1.979 1 1 1338 . 2 1 1 A 118 118 VAL H H 124 9.242 8.590 0.652 1 1 1339 . 2 1 1 A 118 118 VAL HA H 124 4.469 4.522 -0.053 1 1 1347 . 2 1 1 A 118 118 VAL C C 124 173.967 173.314 0.653 1 1 1348 . 2 1 1 A 118 118 VAL CA C 124 59.056 60.409 -1.353 1 1 1349 . 2 1 1 A 118 118 VAL CB C 124 34.376 34.574 -0.198 1 1 1351 . 2 1 1 A 118 118 VAL N N 124 118.546 118.981 -0.435 1 1 1352 . 2 1 1 A 119 119 ALA H H 125 8.327 8.833 -0.506 1 1 1353 . 2 1 1 A 119 119 ALA HA H 125 4.624 4.817 -0.193 1 1 1357 . 2 1 1 A 119 119 ALA C C 125 177.165 175.791 1.374 1 1 1358 . 2 1 1 A 119 119 ALA CA C 125 52.043 50.689 1.354 1 1 1359 . 2 1 1 A 119 119 ALA CB C 125 18.232 19.836 -1.604 1 1 1360 . 2 1 1 A 119 119 ALA N N 125 125.947 127.259 -1.312 1 1 1361 . 2 1 1 A 120 120 LYS H H 126 7.604 8.550 -0.946 1 1 1362 . 2 1 1 A 120 120 LYS HA H 126 4.046 4.727 -0.681 1 1 1371 . 2 1 1 A 120 120 LYS C C 126 172.631 175.714 -3.083 1 1 1372 . 2 1 1 A 120 120 LYS CA C 126 56.023 55.801 0.222 1 1 1373 . 2 1 1 A 120 120 LYS CB C 126 34.482 33.309 1.173 1 1 1377 . 2 1 1 A 120 120 LYS N N 126 126.149 122.884 3.265 1 1 1378 . 2 1 1 A 121 121 ARG H H 127 8.308 8.808 -0.500 1 1 1379 . 2 1 1 A 121 121 ARG HA H 127 4.901 4.529 0.372 1 1 1384 . 2 1 1 A 121 121 ARG C C 127 176.253 174.773 1.480 1 1 1385 . 2 1 1 A 121 121 ARG CA C 127 55.564 55.334 0.230 1 1 1386 . 2 1 1 A 121 121 ARG CB C 127 28.273 28.641 -0.368 1 1 1388 . 2 1 1 A 121 121 ARG N N 127 122.760 124.990 -2.230 1 1 1389 . 2 1 1 A 122 122 GLN H H 128 7.529 8.870 -1.341 1 1 1390 . 2 1 1 A 122 122 GLN HA H 128 4.541 4.503 0.038 1 1 1397 . 2 1 1 A 122 122 GLN C C 128 172.163 174.553 -2.390 1 1 1398 . 2 1 1 A 122 122 GLN CA C 128 54.218 54.711 -0.493 1 1 1399 . 2 1 1 A 122 122 GLN CB C 128 32.064 27.442 4.622 1 1 1401 . 2 1 1 A 122 122 GLN N N 128 121.022 124.725 -3.703 1 1 1403 . 2 1 1 A 123 123 PHE H H 129 8.620 8.817 -0.197 1 1 1404 . 2 1 1 A 123 123 PHE HA H 129 6.040 5.071 0.969 1 1 1411 . 2 1 1 A 123 123 PHE C C 129 174.530 174.464 0.066 1 1 1412 . 2 1 1 A 123 123 PHE CA C 129 56.026 57.715 -1.689 1 1 1413 . 2 1 1 A 123 123 PHE CB C 129 42.143 39.674 2.469 1 1 1414 . 2 1 1 A 123 123 PHE N N 129 125.540 127.400 -1.860 1 1 1415 . 2 1 1 A 124 124 ARG H H 130 8.018 8.272 -0.254 1 1 1416 . 2 1 1 A 124 124 ARG HA H 130 4.366 4.750 -0.384 1 1 1423 . 2 1 1 A 124 124 ARG C C 130 172.139 174.502 -2.363 1 1 1424 . 2 1 1 A 124 124 ARG CA C 130 53.422 53.636 -0.214 1 1 1425 . 2 1 1 A 124 124 ARG CB C 130 32.310 34.320 -2.010 1 1 1428 . 2 1 1 A 124 124 ARG N N 130 125.264 125.876 -0.612 1 1 1429 . 2 1 1 A 125 125 ILE H H 131 8.462 8.168 0.294 1 1 1430 . 2 1 1 A 125 125 ILE HA H 131 3.883 4.318 -0.435 1 1 1440 . 2 1 1 A 125 125 ILE C C 131 175.487 174.921 0.566 1 1 1441 . 2 1 1 A 125 125 ILE CA C 131 58.339 61.831 -3.492 1 1 1442 . 2 1 1 A 125 125 ILE CB C 131 35.673 39.078 -3.405 1 1 1446 . 2 1 1 A 125 125 ILE N N 131 121.887 124.728 -2.841 1 1 1447 . 2 1 1 A 126 126 GLY H H 132 8.814 7.953 0.861 1 1 1448 . 2 1 1 A 126 126 GLY HA2 H 132 4.062 4.257 -0.195 1 1 1449 . 2 1 1 A 126 126 GLY HA3 H 132 4.062 4.281 -0.219 1 1 1450 . 2 1 1 A 126 126 GLY C C 132 171.583 172.829 -1.246 1 1 1451 . 2 1 1 A 126 126 GLY CA C 132 44.157 44.188 -0.031 1 1 1452 . 2 1 1 A 126 126 GLY N N 132 115.675 114.810 0.865 1 1 1453 . 2 1 1 A 127 127 ASP H H 133 7.914 8.461 -0.547 1 1 1454 . 2 1 1 A 127 127 ASP HA H 133 4.584 4.756 -0.172 1 1 1457 . 2 1 1 A 127 127 ASP C C 133 174.132 176.003 -1.871 1 1 1458 . 2 1 1 A 127 127 ASP CA C 133 54.822 54.792 0.030 1 1 1459 . 2 1 1 A 127 127 ASP CB C 133 45.407 41.607 3.800 1 1 1460 . 2 1 1 A 127 127 ASP N N 133 123.737 119.913 3.824 1 1 1461 . 2 1 1 A 128 128 ILE H H 134 8.258 9.074 -0.816 1 1 1462 . 2 1 1 A 128 128 ILE HA H 134 4.392 4.560 -0.168 1 1 1472 . 2 1 1 A 128 128 ILE C C 134 174.799 175.130 -0.331 1 1 1473 . 2 1 1 A 128 128 ILE CA C 134 61.596 60.713 0.883 1 1 1474 . 2 1 1 A 128 128 ILE CB C 134 37.549 37.612 -0.063 1 1 1478 . 2 1 1 A 128 128 ILE N N 134 119.105 124.753 -5.648 1 1 1479 . 2 1 1 A 129 129 ALA H H 135 8.607 8.425 0.182 1 1 1480 . 2 1 1 A 129 129 ALA HA H 135 4.757 5.084 -0.327 1 1 1484 . 2 1 1 A 129 129 ALA C C 135 173.358 177.109 -3.751 1 1 1485 . 2 1 1 A 129 129 ALA CA C 135 50.608 50.610 -0.002 1 1 1486 . 2 1 1 A 129 129 ALA CB C 135 23.348 21.290 2.058 1 1 1487 . 2 1 1 A 129 129 ALA N N 135 129.336 131.229 -1.893 1 1 1488 . 2 1 1 A 130 130 GLY H H 136 7.514 8.080 -0.566 1 1 1489 . 2 1 1 A 130 130 GLY HA2 H 136 3.551 2.040 1.511 1 1 1490 . 2 1 1 A 130 130 GLY HA3 H 136 4.422 3.601 0.821 1 1 1491 . 2 1 1 A 130 130 GLY C C 136 172.609 171.153 1.456 1 1 1492 . 2 1 1 A 130 130 GLY CA C 136 44.315 44.897 -0.582 1 1 1493 . 2 1 1 A 130 130 GLY N N 136 101.232 107.675 -6.443 1 1 1494 . 2 1 1 A 131 131 GLU H H 137 8.225 8.197 0.028 1 1 1495 . 2 1 1 A 131 131 GLU HA H 137 4.540 4.618 -0.078 1 1 1500 . 2 1 1 A 131 131 GLU C C 137 174.864 175.828 -0.964 1 1 1501 . 2 1 1 A 131 131 GLU CA C 137 53.120 55.691 -2.571 1 1 1502 . 2 1 1 A 131 131 GLU CB C 137 28.254 29.355 -1.101 1 1 1504 . 2 1 1 A 131 131 GLU N N 137 121.002 119.647 1.355 1 1 1505 . 2 1 1 A 132 132 HIS H H 138 8.054 8.784 -0.730 1 1 1506 . 2 1 1 A 132 132 HIS HA H 138 4.771 4.859 -0.088 1 1 1511 . 2 1 1 A 132 132 HIS C C 138 175.411 175.294 0.117 1 1 1512 . 2 1 1 A 132 132 HIS CA C 138 57.942 57.116 0.826 1 1 1513 . 2 1 1 A 132 132 HIS CB C 138 27.710 30.899 -3.189 1 1 1514 . 2 1 1 A 132 132 HIS N N 138 124.204 125.083 -0.879 1 1 1515 . 2 1 1 A 133 133 THR H H 139 9.056 8.647 0.409 1 1 1516 . 2 1 1 A 133 133 THR HA H 139 3.864 4.973 -1.109 1 1 1521 . 2 1 1 A 133 133 THR C C 139 174.178 173.705 0.473 1 1 1522 . 2 1 1 A 133 133 THR CA C 139 63.225 59.998 3.227 1 1 1523 . 2 1 1 A 133 133 THR CB C 139 68.127 72.122 -3.995 1 1 1525 . 2 1 1 A 133 133 THR N N 139 125.345 115.068 10.277 1 1 1526 . 2 1 1 A 134 134 SER H H 140 8.834 8.691 0.143 1 1 1527 . 2 1 1 A 134 134 SER HA H 140 4.560 4.609 -0.049 1 1 1530 . 2 1 1 A 134 134 SER C C 140 176.713 176.249 0.464 1 1 1531 . 2 1 1 A 134 134 SER CA C 140 57.961 60.090 -2.129 1 1 1532 . 2 1 1 A 134 134 SER CB C 140 63.030 63.660 -0.630 1 1 1533 . 2 1 1 A 134 134 SER N N 140 121.791 119.811 1.980 1 1 1534 . 2 1 1 A 135 135 PHE H H 141 9.597 8.986 0.611 1 1 1535 . 2 1 1 A 135 135 PHE HA H 141 3.953 4.330 -0.377 1 1 1542 . 2 1 1 A 135 135 PHE C C 141 175.375 176.655 -1.280 1 1 1543 . 2 1 1 A 135 135 PHE CA C 141 61.339 59.522 1.817 1 1 1544 . 2 1 1 A 135 135 PHE CB C 141 39.394 38.123 1.271 1 1 1545 . 2 1 1 A 135 135 PHE N N 141 128.822 122.642 6.180 1 1 1546 . 2 1 1 A 136 136 ASP H H 142 8.017 8.240 -0.223 1 1 1547 . 2 1 1 A 136 136 ASP HA H 142 4.352 4.340 0.012 1 1 1550 . 2 1 1 A 136 136 ASP C C 142 175.358 177.055 -1.697 1 1 1551 . 2 1 1 A 136 136 ASP CA C 142 55.223 55.948 -0.725 1 1 1552 . 2 1 1 A 136 136 ASP CB C 142 40.968 40.255 0.713 1 1 1553 . 2 1 1 A 136 136 ASP N N 142 113.108 120.212 -7.104 1 1 1554 . 2 1 1 A 137 137 LYS H H 143 7.340 7.215 0.125 1 1 1555 . 2 1 1 A 137 137 LYS HA H 143 4.439 4.421 0.018 1 1 1564 . 2 1 1 A 137 137 LYS C C 143 175.571 175.977 -0.406 1 1 1565 . 2 1 1 A 137 137 LYS CA C 143 54.096 56.174 -2.078 1 1 1566 . 2 1 1 A 137 137 LYS CB C 143 32.545 33.429 -0.884 1 1 1570 . 2 1 1 A 137 137 LYS N N 143 117.716 117.260 0.456 1 1 1571 . 2 1 1 A 138 138 LEU H H 144 6.698 7.355 -0.657 1 1 1572 . 2 1 1 A 138 138 LEU HA H 144 3.903 4.582 -0.679 1 1 1582 . 2 1 1 A 138 138 LEU C C 144 174.123 175.145 -1.022 1 1 1583 . 2 1 1 A 138 138 LEU CA C 144 52.843 51.696 1.147 1 1 1584 . 2 1 1 A 138 138 LEU CB C 144 40.993 42.088 -1.095 1 1 1588 . 2 1 1 A 138 138 LEU N N 144 120.536 120.691 -0.155 1 1 1589 . 2 1 1 A 139 139 PRO HA H 145 4.040 4.652 -0.612 1 1 1596 . 2 1 1 A 139 139 PRO C C 145 172.700 176.538 -3.838 1 1 1597 . 2 1 1 A 139 139 PRO CA C 145 62.654 62.511 0.143 1 1 1598 . 2 1 1 A 139 139 PRO CB C 145 30.086 32.368 -2.282 1 1 1601 . 2 1 1 A 140 140 GLU H H 146 8.343 8.785 -0.442 1 1 1602 . 2 1 1 A 140 140 GLU HA H 146 3.970 4.594 -0.624 1 1 1607 . 2 1 1 A 140 140 GLU C C 146 176.009 177.463 -1.454 1 1 1608 . 2 1 1 A 140 140 GLU CA C 146 56.119 55.718 0.401 1 1 1609 . 2 1 1 A 140 140 GLU CB C 146 30.086 28.796 1.290 1 1 1611 . 2 1 1 A 140 140 GLU N N 146 119.063 121.527 -2.464 1 1 1612 . 2 1 1 A 141 141 GLY H H 147 7.241 8.338 -1.097 1 1 1613 . 2 1 1 A 141 141 GLY HA2 H 147 3.918 3.812 0.106 1 1 1614 . 2 1 1 A 141 141 GLY HA3 H 147 3.814 3.814 0.000 1 1 1615 . 2 1 1 A 141 141 GLY C C 147 171.657 174.482 -2.825 1 1 1616 . 2 1 1 A 141 141 GLY CA C 147 43.929 47.004 -3.075 1 1 1617 . 2 1 1 A 141 141 GLY N N 147 104.270 110.874 -6.604 1 1 1618 . 2 1 1 A 142 142 GLY H H 148 8.241 7.659 0.582 1 1 1619 . 2 1 1 A 142 142 GLY HA2 H 148 3.710 4.200 -0.490 1 1 1620 . 2 1 1 A 142 142 GLY HA3 H 148 4.350 4.230 0.120 1 1 1621 . 2 1 1 A 142 142 GLY C C 148 171.767 172.450 -0.683 1 1 1622 . 2 1 1 A 142 142 GLY CA C 148 43.649 46.033 -2.384 1 1 1623 . 2 1 1 A 142 142 GLY N N 148 106.996 106.584 0.412 1 1 1624 . 2 1 1 A 143 143 ARG H H 149 8.214 8.399 -0.185 1 1 1625 . 2 1 1 A 143 143 ARG HA H 149 5.376 5.163 0.213 1 1 1632 . 2 1 1 A 143 143 ARG C C 149 174.981 174.457 0.524 1 1 1633 . 2 1 1 A 143 143 ARG CA C 149 54.235 53.698 0.537 1 1 1634 . 2 1 1 A 143 143 ARG CB C 149 32.988 34.146 -1.158 1 1 1637 . 2 1 1 A 143 143 ARG N N 149 117.762 119.606 -1.844 1 1 1638 . 2 1 1 A 144 144 ALA H H 150 9.030 8.697 0.333 1 1 1639 . 2 1 1 A 144 144 ALA HA H 150 4.730 4.772 -0.042 1 1 1643 . 2 1 1 A 144 144 ALA C C 150 175.012 175.691 -0.679 1 1 1644 . 2 1 1 A 144 144 ALA CA C 150 50.732 50.236 0.496 1 1 1645 . 2 1 1 A 144 144 ALA CB C 150 23.448 20.993 2.455 1 1 1646 . 2 1 1 A 144 144 ALA N N 150 126.630 121.847 4.783 1 1 1647 . 2 1 1 A 145 145 THR H H 151 8.560 8.448 0.112 1 1 1648 . 2 1 1 A 145 145 THR HA H 151 4.846 4.575 0.271 1 1 1653 . 2 1 1 A 145 145 THR C C 151 171.870 173.135 -1.265 1 1 1654 . 2 1 1 A 145 145 THR CA C 151 61.997 62.367 -0.370 1 1 1655 . 2 1 1 A 145 145 THR CB C 151 69.746 69.640 0.106 1 1 1657 . 2 1 1 A 145 145 THR N N 151 117.942 118.178 -0.236 1 1 1658 . 2 1 1 A 146 146 TYR H H 152 10.008 8.691 1.317 1 1 1659 . 2 1 1 A 146 146 TYR HA H 152 4.580 5.119 -0.539 1 1 1666 . 2 1 1 A 146 146 TYR C C 152 174.627 174.475 0.152 1 1 1667 . 2 1 1 A 146 146 TYR CA C 152 55.835 56.301 -0.466 1 1 1668 . 2 1 1 A 146 146 TYR CB C 152 40.094 43.228 -3.134 1 1 1669 . 2 1 1 A 146 146 TYR N N 152 126.097 124.118 1.979 1 1 1670 . 2 1 1 A 147 147 ARG H H 153 8.860 8.854 0.006 1 1 1671 . 2 1 1 A 147 147 ARG HA H 153 5.404 5.174 0.230 1 1 1678 . 2 1 1 A 147 147 ARG C C 153 177.446 175.128 2.318 1 1 1679 . 2 1 1 A 147 147 ARG CA C 153 54.024 54.383 -0.359 1 1 1680 . 2 1 1 A 147 147 ARG CB C 153 33.539 33.754 -0.215 1 1 1683 . 2 1 1 A 147 147 ARG N N 153 121.042 123.362 -2.320 1 1 1684 . 2 1 1 A 148 148 GLY H H 154 8.916 9.048 -0.132 1 1 1685 . 2 1 1 A 148 148 GLY HA2 H 154 4.816 4.320 0.496 1 1 1686 . 2 1 1 A 148 148 GLY HA3 H 154 4.422 4.338 0.084 1 1 1687 . 2 1 1 A 148 148 GLY C C 154 173.831 171.904 1.927 1 1 1688 . 2 1 1 A 148 148 GLY CA C 154 46.752 44.052 2.700 1 1 1689 . 2 1 1 A 148 148 GLY N N 154 114.154 112.307 1.847 1 1 1690 . 2 1 1 A 149 149 THR H H 155 9.063 8.926 0.137 1 1 1691 . 2 1 1 A 149 149 THR HA H 155 4.711 5.253 -0.542 1 1 1696 . 2 1 1 A 149 149 THR C C 155 170.370 173.411 -3.041 1 1 1697 . 2 1 1 A 149 149 THR CA C 155 62.316 61.221 1.095 1 1 1698 . 2 1 1 A 149 149 THR CB C 155 72.596 71.675 0.921 1 1 1700 . 2 1 1 A 149 149 THR N N 155 126.410 115.742 10.668 1 1 1701 . 2 1 1 A 150 150 ALA H H 156 7.091 9.019 -1.928 1 1 1702 . 2 1 1 A 150 150 ALA HA H 156 5.289 5.598 -0.309 1 1 1706 . 2 1 1 A 150 150 ALA C C 156 173.965 176.549 -2.584 1 1 1707 . 2 1 1 A 150 150 ALA CA C 156 48.843 50.060 -1.217 1 1 1708 . 2 1 1 A 150 150 ALA CB C 156 22.573 22.058 0.515 1 1 1709 . 2 1 1 A 150 150 ALA N N 156 127.540 128.346 -0.806 1 1 1710 . 2 1 1 A 151 151 PHE H H 157 8.536 8.241 0.295 1 1 1711 . 2 1 1 A 151 151 PHE HA H 157 5.442 5.661 -0.219 1 1 1718 . 2 1 1 A 151 151 PHE C C 157 171.891 173.686 -1.795 1 1 1719 . 2 1 1 A 151 151 PHE CA C 157 53.282 55.360 -2.078 1 1 1720 . 2 1 1 A 151 151 PHE CB C 157 41.020 42.078 -1.058 1 1 1721 . 2 1 1 A 151 151 PHE N N 157 117.013 117.944 -0.931 1 1 1722 . 2 1 1 A 152 152 GLY H H 158 8.548 8.531 0.017 1 1 1723 . 2 1 1 A 152 152 GLY HA2 H 158 4.003 3.543 0.460 1 1 1724 . 2 1 1 A 152 152 GLY HA3 H 158 3.124 4.104 -0.980 1 1 1725 . 2 1 1 A 152 152 GLY C C 158 173.148 171.812 1.336 1 1 1726 . 2 1 1 A 152 152 GLY CA C 158 42.630 45.059 -2.429 1 1 1727 . 2 1 1 A 152 152 GLY N N 158 108.356 108.271 0.085 1 1 1728 . 2 1 1 A 153 153 SER H H 159 7.610 7.841 -0.231 1 1 1729 . 2 1 1 A 153 153 SER HA H 159 3.421 4.234 -0.813 1 1 1732 . 2 1 1 A 153 153 SER C C 159 176.057 173.999 2.058 1 1 1733 . 2 1 1 A 153 153 SER CA C 159 58.787 57.094 1.693 1 1 1734 . 2 1 1 A 153 153 SER CB C 159 61.886 61.525 0.361 1 1 1735 . 2 1 1 A 153 153 SER N N 159 115.173 114.799 0.374 1 1 1736 . 2 1 1 A 154 154 ASP H H 160 9.894 8.080 1.814 1 1 1737 . 2 1 1 A 154 154 ASP HA H 160 4.168 4.826 -0.658 1 1 1740 . 2 1 1 A 154 154 ASP C C 160 175.191 175.458 -0.267 1 1 1741 . 2 1 1 A 154 154 ASP CA C 160 55.398 54.717 0.681 1 1 1742 . 2 1 1 A 154 154 ASP CB C 160 39.212 43.002 -3.790 1 1 1743 . 2 1 1 A 154 154 ASP N N 160 124.828 122.975 1.853 1 1 1744 . 2 1 1 A 155 155 ASP H H 161 7.520 8.174 -0.654 1 1 1745 . 2 1 1 A 155 155 ASP HA H 161 4.568 4.977 -0.409 1 1 1748 . 2 1 1 A 155 155 ASP C C 161 172.658 175.965 -3.307 1 1 1749 . 2 1 1 A 155 155 ASP CA C 161 54.342 55.702 -1.360 1 1 1750 . 2 1 1 A 155 155 ASP CB C 161 40.619 42.173 -1.554 1 1 1751 . 2 1 1 A 155 155 ASP N N 161 116.749 118.863 -2.114 1 1 1752 . 2 1 1 A 156 156 ALA H H 162 8.544 8.167 0.377 1 1 1753 . 2 1 1 A 156 156 ALA HA H 162 4.916 4.221 0.695 1 1 1757 . 2 1 1 A 156 156 ALA C C 162 177.708 177.793 -0.085 1 1 1758 . 2 1 1 A 156 156 ALA CA C 162 49.878 53.694 -3.816 1 1 1759 . 2 1 1 A 156 156 ALA CB C 162 17.473 18.204 -0.731 1 1 1760 . 2 1 1 A 156 156 ALA N N 162 128.246 121.025 7.221 1 1 1761 . 2 1 1 A 157 157 GLY H H 163 8.406 8.450 -0.044 1 1 1762 . 2 1 1 A 157 157 GLY HA2 H 163 4.286 4.016 0.270 1 1 1763 . 2 1 1 A 157 157 GLY HA3 H 163 3.894 4.021 -0.127 1 1 1764 . 2 1 1 A 157 157 GLY C C 163 174.344 174.538 -0.194 1 1 1765 . 2 1 1 A 157 157 GLY CA C 163 45.049 45.473 -0.424 1 1 1766 . 2 1 1 A 157 157 GLY N N 163 106.545 105.878 0.667 1 1 1767 . 2 1 1 A 158 158 GLY H H 164 7.128 7.948 -0.820 1 1 1768 . 2 1 1 A 158 158 GLY HA2 H 164 4.118 3.915 0.203 1 1 1769 . 2 1 1 A 158 158 GLY HA3 H 164 3.641 3.947 -0.306 1 1 1770 . 2 1 1 A 158 158 GLY C C 164 173.903 173.487 0.416 1 1 1771 . 2 1 1 A 158 158 GLY CA C 164 45.225 46.979 -1.754 1 1 1772 . 2 1 1 A 158 158 GLY N N 164 106.404 108.104 -1.700 1 1 1773 . 2 1 1 A 159 159 LYS H H 165 9.647 8.099 1.548 1 1 1774 . 2 1 1 A 159 159 LYS HA H 165 5.052 4.318 0.734 1 1 1781 . 2 1 1 A 159 159 LYS C C 165 174.390 176.160 -1.770 1 1 1782 . 2 1 1 A 159 159 LYS CA C 165 53.501 56.017 -2.516 1 1 1783 . 2 1 1 A 159 159 LYS CB C 165 34.622 32.944 1.678 1 1 1786 . 2 1 1 A 159 159 LYS N N 165 123.930 123.401 0.529 1 1 1787 . 2 1 1 A 160 160 LEU H H 166 7.706 8.538 -0.832 1 1 1788 . 2 1 1 A 160 160 LEU HA H 166 4.873 5.157 -0.284 1 1 1798 . 2 1 1 A 160 160 LEU C C 166 174.825 175.082 -0.257 1 1 1799 . 2 1 1 A 160 160 LEU CA C 166 52.677 53.075 -0.398 1 1 1800 . 2 1 1 A 160 160 LEU CB C 166 44.629 46.137 -1.508 1 1 1804 . 2 1 1 A 160 160 LEU N N 166 126.271 118.857 7.414 1 1 1805 . 2 1 1 A 161 161 THR H H 167 8.374 9.110 -0.736 1 1 1806 . 2 1 1 A 161 161 THR HA H 167 4.949 4.846 0.103 1 1 1811 . 2 1 1 A 161 161 THR C C 167 172.102 173.155 -1.053 1 1 1812 . 2 1 1 A 161 161 THR CA C 167 61.761 62.517 -0.756 1 1 1813 . 2 1 1 A 161 161 THR CB C 167 70.169 70.057 0.112 1 1 1815 . 2 1 1 A 161 161 THR N N 167 122.977 117.017 5.960 1 1 1816 . 2 1 1 A 162 162 TYR H H 168 9.174 8.684 0.490 1 1 1817 . 2 1 1 A 162 162 TYR HA H 168 4.766 5.423 -0.657 1 1 1824 . 2 1 1 A 162 162 TYR C C 168 172.249 173.994 -1.745 1 1 1825 . 2 1 1 A 162 162 TYR CA C 168 58.162 56.341 1.821 1 1 1826 . 2 1 1 A 162 162 TYR CB C 168 43.746 42.045 1.701 1 1 1827 . 2 1 1 A 162 162 TYR N N 168 128.112 126.916 1.196 1 1 1828 . 2 1 1 A 163 163 THR H H 169 8.711 8.102 0.609 1 1 1829 . 2 1 1 A 163 163 THR HA H 169 5.402 5.066 0.336 1 1 1834 . 2 1 1 A 163 163 THR C C 169 172.520 171.870 0.650 1 1 1835 . 2 1 1 A 163 163 THR CA C 169 60.804 59.849 0.955 1 1 1836 . 2 1 1 A 163 163 THR CB C 169 70.818 71.507 -0.689 1 1 1838 . 2 1 1 A 163 163 THR N N 169 124.549 120.540 4.009 1 1 1839 . 2 1 1 A 164 164 ILE H H 170 8.927 8.528 0.399 1 1 1840 . 2 1 1 A 164 164 ILE HA H 170 4.313 4.888 -0.575 1 1 1850 . 2 1 1 A 164 164 ILE C C 170 173.105 173.814 -0.709 1 1 1851 . 2 1 1 A 164 164 ILE CA C 170 60.595 60.274 0.321 1 1 1852 . 2 1 1 A 164 164 ILE CB C 170 41.274 41.352 -0.078 1 1 1856 . 2 1 1 A 164 164 ILE N N 170 123.685 126.417 -2.732 1 1 1857 . 2 1 1 A 165 165 ASP H H 171 8.372 8.543 -0.171 1 1 1858 . 2 1 1 A 165 165 ASP HA H 171 4.750 4.704 0.046 1 1 1861 . 2 1 1 A 165 165 ASP C C 171 177.213 176.118 1.095 1 1 1862 . 2 1 1 A 165 165 ASP CA C 171 51.669 54.196 -2.527 1 1 1863 . 2 1 1 A 165 165 ASP CB C 171 41.730 39.555 2.175 1 1 1864 . 2 1 1 A 165 165 ASP N N 171 125.168 129.410 -4.242 1 1 1865 . 2 1 1 A 166 166 PHE H H 172 8.968 8.075 0.893 1 1 1866 . 2 1 1 A 166 166 PHE HA H 172 3.879 4.263 -0.384 1 1 1874 . 2 1 1 A 166 166 PHE C C 172 176.940 177.685 -0.745 1 1 1875 . 2 1 1 A 166 166 PHE CA C 172 61.543 60.681 0.862 1 1 1876 . 2 1 1 A 166 166 PHE CB C 172 37.424 38.858 -1.434 1 1 1877 . 2 1 1 A 166 166 PHE N N 172 123.597 122.116 1.481 1 1 1878 . 2 1 1 A 167 167 ALA H H 173 8.266 8.248 0.018 1 1 1879 . 2 1 1 A 167 167 ALA HA H 173 4.322 4.127 0.195 1 1 1883 . 2 1 1 A 167 167 ALA C C 173 178.888 179.608 -0.720 1 1 1884 . 2 1 1 A 167 167 ALA CA C 173 54.458 55.180 -0.722 1 1 1885 . 2 1 1 A 167 167 ALA CB C 173 17.591 18.855 -1.264 1 1 1886 . 2 1 1 A 167 167 ALA N N 173 122.113 121.882 0.231 1 1 1887 . 2 1 1 A 168 168 ALA H H 174 7.405 7.632 -0.227 1 1 1888 . 2 1 1 A 168 168 ALA HA H 174 4.096 4.370 -0.274 1 1 1892 . 2 1 1 A 168 168 ALA C C 174 176.605 176.736 -0.131 1 1 1893 . 2 1 1 A 168 168 ALA CA C 174 51.225 52.040 -0.815 1 1 1894 . 2 1 1 A 168 168 ALA CB C 174 18.307 19.575 -1.268 1 1 1895 . 2 1 1 A 168 168 ALA N N 174 118.760 117.086 1.674 1 1 1896 . 2 1 1 A 169 169 LYS H H 175 7.906 8.254 -0.348 1 1 1897 . 2 1 1 A 169 169 LYS HA H 175 3.391 3.800 -0.409 1 1 1904 . 2 1 1 A 169 169 LYS C C 175 174.608 174.793 -0.185 1 1 1905 . 2 1 1 A 169 169 LYS CA C 175 57.049 57.255 -0.206 1 1 1906 . 2 1 1 A 169 169 LYS CB C 175 30.051 29.389 0.662 1 1 1909 . 2 1 1 A 169 169 LYS N N 175 114.394 114.939 -0.545 1 1 1910 . 2 1 1 A 170 170 GLN H H 176 7.629 7.611 0.018 1 1 1911 . 2 1 1 A 170 170 GLN HA H 176 5.414 5.135 0.279 1 1 1918 . 2 1 1 A 170 170 GLN C C 176 174.325 174.433 -0.108 1 1 1919 . 2 1 1 A 170 170 GLN CA C 176 54.393 54.359 0.034 1 1 1920 . 2 1 1 A 170 170 GLN CB C 176 34.771 31.253 3.518 1 1 1922 . 2 1 1 A 170 170 GLN N N 176 116.433 116.472 -0.039 1 1 1924 . 2 1 1 A 171 171 GLY H H 177 8.854 9.226 -0.372 1 1 1925 . 2 1 1 A 171 171 GLY HA2 H 177 5.205 4.081 1.124 1 1 1926 . 2 1 1 A 171 171 GLY HA3 H 177 3.526 4.324 -0.798 1 1 1927 . 2 1 1 A 171 171 GLY C C 177 170.842 172.153 -1.311 1 1 1928 . 2 1 1 A 171 171 GLY CA C 177 44.621 45.254 -0.633 1 1 1929 . 2 1 1 A 171 171 GLY N N 177 110.189 112.264 -2.075 1 1 1930 . 2 1 1 A 172 172 ASN H H 178 7.637 8.959 -1.322 1 1 1931 . 2 1 1 A 172 172 ASN HA H 178 4.224 5.623 -1.399 1 1 1936 . 2 1 1 A 172 172 ASN C C 178 171.546 173.947 -2.401 1 1 1937 . 2 1 1 A 172 172 ASN CA C 178 53.729 50.950 2.779 1 1 1938 . 2 1 1 A 172 172 ASN CB C 178 41.543 41.457 0.086 1 1 1939 . 2 1 1 A 172 172 ASN N N 178 112.667 122.659 -9.992 1 1 1941 . 2 1 1 A 173 173 GLY H H 179 9.103 8.360 0.743 1 1 1942 . 2 1 1 A 173 173 GLY HA2 H 179 4.491 4.352 0.139 1 1 1943 . 2 1 1 A 173 173 GLY HA3 H 179 4.084 4.423 -0.339 1 1 1944 . 2 1 1 A 173 173 GLY C C 179 172.400 171.775 0.625 1 1 1945 . 2 1 1 A 173 173 GLY CA C 179 47.199 46.150 1.049 1 1 1946 . 2 1 1 A 173 173 GLY N N 179 106.686 108.499 -1.813 1 1 1947 . 2 1 1 A 174 174 LYS H H 180 9.179 8.644 0.535 1 1 1948 . 2 1 1 A 174 174 LYS HA H 180 4.821 5.042 -0.221 1 1 1957 . 2 1 1 A 174 174 LYS C C 180 172.518 174.801 -2.283 1 1 1958 . 2 1 1 A 174 174 LYS CA C 180 56.617 55.082 1.535 1 1 1959 . 2 1 1 A 174 174 LYS CB C 180 35.373 35.792 -0.419 1 1 1963 . 2 1 1 A 174 174 LYS N N 180 121.816 117.007 4.809 1 1 1964 . 2 1 1 A 175 175 ILE H H 181 8.351 8.615 -0.264 1 1 1965 . 2 1 1 A 175 175 ILE HA H 181 4.581 4.382 0.199 1 1 1973 . 2 1 1 A 175 175 ILE C C 181 173.997 176.013 -2.016 1 1 1974 . 2 1 1 A 175 175 ILE CA C 181 60.490 60.958 -0.468 1 1 1975 . 2 1 1 A 175 175 ILE CB C 181 39.573 38.021 1.552 1 1 1978 . 2 1 1 A 175 175 ILE N N 181 123.400 123.249 0.151 1 1 1979 . 2 1 1 A 176 176 GLU H H 182 8.492 8.708 -0.216 1 1 1980 . 2 1 1 A 176 176 GLU HA H 182 4.471 4.827 -0.356 1 1 1985 . 2 1 1 A 176 176 GLU C C 182 175.392 175.217 0.175 1 1 1986 . 2 1 1 A 176 176 GLU CA C 182 53.410 56.582 -3.172 1 1 1987 . 2 1 1 A 176 176 GLU CB C 182 35.479 32.407 3.072 1 1 1989 . 2 1 1 A 176 176 GLU N N 182 122.287 125.563 -3.276 1 1 1990 . 2 1 1 A 177 177 HIS H H 183 8.431 8.929 -0.498 1 1 1991 . 2 1 1 A 177 177 HIS HA H 183 3.975 4.725 -0.750 1 1 1996 . 2 1 1 A 177 177 HIS C C 183 176.008 174.589 1.419 1 1 1997 . 2 1 1 A 177 177 HIS CA C 183 57.533 56.932 0.601 1 1 1998 . 2 1 1 A 177 177 HIS CB C 183 27.362 32.745 -5.383 1 1 1999 . 2 1 1 A 177 177 HIS N N 183 109.605 124.927 -15.322 1 1 2000 . 2 1 1 A 178 178 LEU H H 184 9.603 7.699 1.904 1 1 2001 . 2 1 1 A 178 178 LEU HA H 184 4.276 4.174 0.102 1 1 2011 . 2 1 1 A 178 178 LEU C C 184 178.805 177.740 1.065 1 1 2012 . 2 1 1 A 178 178 LEU CA C 184 56.034 55.007 1.027 1 1 2013 . 2 1 1 A 178 178 LEU CB C 184 39.882 42.286 -2.404 1 1 2017 . 2 1 1 A 178 178 LEU N N 184 124.374 119.682 4.692 1 1 2018 . 2 1 1 A 179 179 LYS H H 185 10.002 8.803 1.199 1 1 2019 . 2 1 1 A 179 179 LYS HA H 185 3.682 4.076 -0.394 1 1 2028 . 2 1 1 A 179 179 LYS C C 185 177.660 176.026 1.634 1 1 2029 . 2 1 1 A 179 179 LYS CA C 185 57.721 58.362 -0.641 1 1 2030 . 2 1 1 A 179 179 LYS CB C 185 31.949 32.131 -0.182 1 1 2034 . 2 1 1 A 179 179 LYS N N 185 122.880 121.005 1.875 1 1 2035 . 2 1 1 A 180 180 SER H H 186 7.262 7.678 -0.416 1 1 2036 . 2 1 1 A 180 180 SER HA H 186 4.672 4.819 -0.147 1 1 2039 . 2 1 1 A 180 180 SER C C 186 173.086 173.918 -0.832 1 1 2040 . 2 1 1 A 180 180 SER CA C 186 54.576 55.157 -0.581 1 1 2041 . 2 1 1 A 180 180 SER CB C 186 62.715 65.465 -2.750 1 1 2042 . 2 1 1 A 180 180 SER N N 186 115.187 115.436 -0.249 1 1 2043 . 2 1 1 A 181 181 PRO HA H 187 3.956 4.395 -0.439 1 1 2050 . 2 1 1 A 181 181 PRO CA C 187 65.359 64.638 0.721 1 1 2051 . 2 1 1 A 181 181 PRO CB C 187 32.061 31.979 0.082 1 1 2054 . 2 1 1 A 182 182 GLU H H 188 8.076 8.550 -0.474 1 1 2055 . 2 1 1 A 182 182 GLU HA H 188 3.011 4.104 -1.093 1 1 2060 . 2 1 1 A 182 182 GLU C C 188 173.944 178.698 -4.754 1 1 2061 . 2 1 1 A 182 182 GLU CA C 188 56.597 58.575 -1.978 1 1 2062 . 2 1 1 A 182 182 GLU CB C 188 29.581 28.983 0.598 1 1 2064 . 2 1 1 A 182 182 GLU N N 188 113.034 117.919 -4.885 1 1 2065 . 2 1 1 A 183 183 LEU H H 189 7.126 7.376 -0.250 1 1 2066 . 2 1 1 A 183 183 LEU HA H 189 3.970 4.276 -0.306 1 1 2076 . 2 1 1 A 183 183 LEU C C 189 175.597 177.235 -1.638 1 1 2077 . 2 1 1 A 183 183 LEU CA C 189 53.849 56.192 -2.343 1 1 2078 . 2 1 1 A 183 183 LEU CB C 189 41.152 42.938 -1.786 1 1 2082 . 2 1 1 A 183 183 LEU N N 189 112.896 118.705 -5.809 1 1 2083 . 2 1 1 A 184 184 ASN H H 190 6.952 7.599 -0.647 1 1 2084 . 2 1 1 A 184 184 ASN HA H 190 4.596 4.797 -0.201 1 1 2089 . 2 1 1 A 184 184 ASN C C 190 175.694 175.242 0.452 1 1 2090 . 2 1 1 A 184 184 ASN CA C 190 53.200 53.570 -0.370 1 1 2091 . 2 1 1 A 184 184 ASN CB C 190 36.466 39.360 -2.894 1 1 2092 . 2 1 1 A 184 184 ASN N N 190 117.865 116.671 1.194 1 1 2094 . 2 1 1 A 185 185 VAL H H 191 7.178 8.653 -1.475 1 1 2095 . 2 1 1 A 185 185 VAL HA H 191 4.480 4.786 -0.306 1 1 2103 . 2 1 1 A 185 185 VAL C C 191 174.874 174.089 0.785 1 1 2104 . 2 1 1 A 185 185 VAL CA C 191 59.753 58.606 1.147 1 1 2105 . 2 1 1 A 185 185 VAL CB C 191 33.035 35.663 -2.628 1 1 2108 . 2 1 1 A 185 185 VAL N N 191 113.276 117.104 -3.828 1 1 2109 . 2 1 1 A 186 186 ASP H H 192 8.827 8.593 0.234 1 1 2110 . 2 1 1 A 186 186 ASP HA H 192 4.779 4.764 0.015 1 1 2113 . 2 1 1 A 186 186 ASP C C 192 174.919 175.436 -0.517 1 1 2114 . 2 1 1 A 186 186 ASP CA C 192 54.058 54.159 -0.101 1 1 2115 . 2 1 1 A 186 186 ASP CB C 192 41.635 41.833 -0.198 1 1 2116 . 2 1 1 A 186 186 ASP N N 192 118.111 123.617 -5.506 1 1 2117 . 2 1 1 A 187 187 LEU H H 193 8.375 8.785 -0.410 1 1 2118 . 2 1 1 A 187 187 LEU HA H 193 4.146 4.895 -0.749 1 1 2127 . 2 1 1 A 187 187 LEU CA C 193 52.331 53.749 -1.418 1 1 2128 . 2 1 1 A 187 187 LEU CB C 193 38.187 44.495 -6.308 1 1 2131 . 2 1 1 A 187 187 LEU N N 193 123.130 124.960 -1.830 1 1 2132 . 2 1 1 A 188 188 ALA H H 194 8.225 8.309 -0.084 1 1 2133 . 2 1 1 A 188 188 ALA HA H 194 4.098 4.228 -0.130 1 1 2137 . 2 1 1 A 188 188 ALA C C 194 176.239 177.609 -1.370 1 1 2138 . 2 1 1 A 188 188 ALA CA C 194 52.498 52.994 -0.496 1 1 2139 . 2 1 1 A 188 188 ALA CB C 194 20.030 19.467 0.563 1 1 2140 . 2 1 1 A 188 188 ALA N N 194 126.289 130.092 -3.803 1 1 2141 . 2 1 1 A 189 189 ALA H H 195 8.275 8.341 -0.066 1 1 2142 . 2 1 1 A 189 189 ALA HA H 195 4.862 4.347 0.515 1 1 2146 . 2 1 1 A 189 189 ALA C C 195 178.131 177.788 0.343 1 1 2147 . 2 1 1 A 189 189 ALA CA C 195 51.822 52.980 -1.158 1 1 2148 . 2 1 1 A 189 189 ALA CB C 195 17.367 19.012 -1.645 1 1 2149 . 2 1 1 A 189 189 ALA N N 195 122.010 125.617 -3.607 1 1 2150 . 2 1 1 A 190 190 ALA H H 196 8.823 9.080 -0.257 1 1 2151 . 2 1 1 A 190 190 ALA HA H 196 4.634 5.195 -0.561 1 1 2155 . 2 1 1 A 190 190 ALA C C 196 175.141 176.309 -1.168 1 1 2156 . 2 1 1 A 190 190 ALA CA C 196 50.420 50.016 0.404 1 1 2157 . 2 1 1 A 190 190 ALA CB C 196 23.461 22.222 1.239 1 1 2158 . 2 1 1 A 190 190 ALA N N 196 126.018 126.488 -0.470 1 1 2159 . 2 1 1 A 191 191 ASP H H 197 8.365 8.648 -0.283 1 1 2160 . 2 1 1 A 191 191 ASP HA H 197 5.160 5.107 0.053 1 1 2163 . 2 1 1 A 191 191 ASP C C 197 176.028 175.515 0.513 1 1 2164 . 2 1 1 A 191 191 ASP CA C 197 54.034 53.143 0.891 1 1 2165 . 2 1 1 A 191 191 ASP CB C 197 41.691 42.136 -0.445 1 1 2166 . 2 1 1 A 191 191 ASP N N 197 118.646 120.291 -1.645 1 1 2167 . 2 1 1 A 192 192 ILE H H 198 7.915 7.813 0.102 1 1 2168 . 2 1 1 A 192 192 ILE HA H 198 4.315 4.242 0.073 1 1 2178 . 2 1 1 A 192 192 ILE C C 198 174.684 175.380 -0.696 1 1 2179 . 2 1 1 A 192 192 ILE CA C 198 60.951 61.465 -0.514 1 1 2180 . 2 1 1 A 192 192 ILE CB C 198 41.989 38.904 3.085 1 1 2184 . 2 1 1 A 192 192 ILE N N 198 119.664 123.307 -3.643 1 1 2185 . 2 1 1 A 193 193 LYS H H 199 9.175 8.975 0.200 1 1 2186 . 2 1 1 A 193 193 LYS HA H 199 4.530 4.548 -0.018 1 1 2195 . 2 1 1 A 193 193 LYS C C 199 172.639 176.308 -3.669 1 1 2196 . 2 1 1 A 193 193 LYS CA C 199 53.361 53.424 -0.063 1 1 2197 . 2 1 1 A 193 193 LYS CB C 199 34.758 31.939 2.819 1 1 2201 . 2 1 1 A 193 193 LYS N N 199 127.122 127.851 -0.729 1 1 2202 . 2 1 1 A 195 195 ASP H H 201 8.390 7.791 0.599 1 1 2203 . 2 1 1 A 195 195 ASP HA H 201 4.550 4.518 0.032 1 1 2206 . 2 1 1 A 195 195 ASP C C 201 179.300 176.558 2.742 1 1 2207 . 2 1 1 A 195 195 ASP CA C 201 51.354 55.191 -3.837 1 1 2208 . 2 1 1 A 195 195 ASP CB C 201 40.324 40.526 -0.202 1 1 2209 . 2 1 1 A 195 195 ASP N N 201 123.239 121.251 1.988 1 1 2210 . 2 1 1 A 196 196 GLY HA2 H 202 3.718 3.418 0.300 1 1 2211 . 2 1 1 A 196 196 GLY HA3 H 202 3.437 3.898 -0.461 1 1 2212 . 2 1 1 A 196 196 GLY CA C 202 46.527 44.662 1.865 1 1 2213 . 2 1 1 A 197 197 LYS H H 203 7.740 8.364 -0.624 1 1 2214 . 2 1 1 A 197 197 LYS HA H 203 4.118 4.042 0.076 1 1 2221 . 2 1 1 A 197 197 LYS C C 203 174.941 176.707 -1.766 1 1 2222 . 2 1 1 A 197 197 LYS CA C 203 55.054 58.099 -3.045 1 1 2223 . 2 1 1 A 197 197 LYS CB C 203 31.192 32.027 -0.835 1 1 2226 . 2 1 1 A 197 197 LYS N N 203 120.305 122.373 -2.068 1 1 2227 . 2 1 1 A 198 198 ARG H H 204 8.059 7.722 0.337 1 1 2228 . 2 1 1 A 198 198 ARG HA H 204 3.441 4.628 -1.187 1 1 2235 . 2 1 1 A 198 198 ARG C C 204 175.152 175.264 -0.112 1 1 2236 . 2 1 1 A 198 198 ARG CA C 204 56.911 55.611 1.300 1 1 2237 . 2 1 1 A 198 198 ARG CB C 204 26.584 31.526 -4.942 1 1 2240 . 2 1 1 A 198 198 ARG N N 204 111.796 115.448 -3.652 1 1 2241 . 2 1 1 A 199 199 HIS H H 205 8.531 7.678 0.853 1 1 2242 . 2 1 1 A 199 199 HIS HA H 205 4.812 4.950 -0.138 1 1 2247 . 2 1 1 A 199 199 HIS C C 205 174.866 173.256 1.610 1 1 2248 . 2 1 1 A 199 199 HIS CA C 205 53.700 54.622 -0.922 1 1 2249 . 2 1 1 A 199 199 HIS CB C 205 27.838 30.906 -3.068 1 1 2250 . 2 1 1 A 199 199 HIS N N 205 120.255 115.365 4.890 1 1 2251 . 2 1 1 A 200 200 ALA H H 206 8.492 8.798 -0.306 1 1 2252 . 2 1 1 A 200 200 ALA HA H 206 4.615 4.741 -0.126 1 1 2256 . 2 1 1 A 200 200 ALA C C 206 175.840 174.976 0.864 1 1 2257 . 2 1 1 A 200 200 ALA CA C 206 52.247 51.448 0.799 1 1 2258 . 2 1 1 A 200 200 ALA CB C 206 19.838 22.953 -3.115 1 1 2259 . 2 1 1 A 200 200 ALA N N 206 123.237 120.465 2.772 1 1 2260 . 2 1 1 A 201 201 VAL H H 207 9.174 8.168 1.006 1 1 2261 . 2 1 1 A 201 201 VAL HA H 207 4.976 4.746 0.230 1 1 2269 . 2 1 1 A 201 201 VAL C C 207 173.390 174.780 -1.390 1 1 2270 . 2 1 1 A 201 201 VAL CA C 207 60.775 60.217 0.558 1 1 2271 . 2 1 1 A 201 201 VAL CB C 207 35.488 36.104 -0.616 1 1 2274 . 2 1 1 A 201 201 VAL N N 207 123.250 116.170 7.080 1 1 2275 . 2 1 1 A 202 202 ILE H H 208 8.887 8.192 0.695 1 1 2276 . 2 1 1 A 202 202 ILE HA H 208 4.312 4.993 -0.681 1 1 2286 . 2 1 1 A 202 202 ILE C C 208 174.670 175.112 -0.442 1 1 2287 . 2 1 1 A 202 202 ILE CA C 208 60.815 59.490 1.325 1 1 2288 . 2 1 1 A 202 202 ILE CB C 208 41.576 40.856 0.720 1 1 2292 . 2 1 1 A 202 202 ILE N N 208 122.699 124.854 -2.155 1 1 2293 . 2 1 1 A 203 203 SER H H 209 8.416 8.484 -0.068 1 1 2294 . 2 1 1 A 203 203 SER HA H 209 4.913 4.903 0.010 1 1 2297 . 2 1 1 A 203 203 SER C C 209 172.984 173.052 -0.068 1 1 2298 . 2 1 1 A 203 203 SER CA C 209 55.676 57.323 -1.647 1 1 2299 . 2 1 1 A 203 203 SER CB C 209 64.355 65.546 -1.191 1 1 2300 . 2 1 1 A 203 203 SER N N 209 122.067 122.726 -0.659 1 1 2301 . 2 1 1 A 204 204 GLY H H 210 7.292 7.840 -0.548 1 1 2302 . 2 1 1 A 204 204 GLY HA2 H 210 4.432 4.257 0.175 1 1 2303 . 2 1 1 A 204 204 GLY HA3 H 210 3.352 4.280 -0.928 1 1 2304 . 2 1 1 A 204 204 GLY C C 210 172.482 172.733 -0.251 1 1 2305 . 2 1 1 A 204 204 GLY CA C 210 45.167 45.013 0.154 1 1 2306 . 2 1 1 A 204 204 GLY N N 210 110.488 112.625 -2.137 1 1 2307 . 2 1 1 A 205 205 SER H H 211 8.652 8.903 -0.251 1 1 2308 . 2 1 1 A 205 205 SER HA H 211 5.027 5.490 -0.463 1 1 2311 . 2 1 1 A 205 205 SER C C 211 172.852 173.844 -0.992 1 1 2312 . 2 1 1 A 205 205 SER CA C 211 58.806 55.802 3.004 1 1 2313 . 2 1 1 A 205 205 SER CB C 211 64.384 66.371 -1.987 1 1 2314 . 2 1 1 A 205 205 SER N N 211 116.497 113.962 2.535 1 1 2315 . 2 1 1 A 206 206 VAL H H 212 7.400 8.788 -1.388 1 1 2316 . 2 1 1 A 206 206 VAL HA H 212 5.032 4.589 0.443 1 1 2324 . 2 1 1 A 206 206 VAL C C 212 174.500 175.761 -1.261 1 1 2325 . 2 1 1 A 206 206 VAL CA C 212 58.764 61.276 -2.512 1 1 2326 . 2 1 1 A 206 206 VAL CB C 212 30.512 35.139 -4.627 1 1 2329 . 2 1 1 A 206 206 VAL N N 212 117.101 121.562 -4.461 1 1 2330 . 2 1 1 A 207 207 LEU H H 213 8.961 8.905 0.056 1 1 2331 . 2 1 1 A 207 207 LEU HA H 213 5.312 4.454 0.858 1 1 2341 . 2 1 1 A 207 207 LEU C C 213 175.520 175.584 -0.064 1 1 2342 . 2 1 1 A 207 207 LEU CA C 213 52.630 55.452 -2.822 1 1 2343 . 2 1 1 A 207 207 LEU CB C 213 45.567 42.855 2.712 1 1 2347 . 2 1 1 A 207 207 LEU N N 213 124.185 130.957 -6.772 1 1 2348 . 2 1 1 A 208 208 TYR H H 214 8.836 9.024 -0.188 1 1 2349 . 2 1 1 A 208 208 TYR HA H 214 4.766 4.908 -0.142 1 1 2356 . 2 1 1 A 208 208 TYR C C 214 175.964 174.783 1.181 1 1 2357 . 2 1 1 A 208 208 TYR CA C 214 56.943 57.792 -0.849 1 1 2358 . 2 1 1 A 208 208 TYR CB C 214 41.736 42.327 -0.591 1 1 2359 . 2 1 1 A 208 208 TYR N N 214 120.202 122.136 -1.934 1 1 2360 . 2 1 1 A 209 209 ASN H H 215 9.292 9.352 -0.060 1 1 2361 . 2 1 1 A 209 209 ASN HA H 215 4.001 4.336 -0.335 1 1 2366 . 2 1 1 A 209 209 ASN C C 215 174.336 174.332 0.004 1 1 2367 . 2 1 1 A 209 209 ASN CA C 215 53.923 54.134 -0.211 1 1 2368 . 2 1 1 A 209 209 ASN CB C 215 36.468 37.170 -0.702 1 1 2369 . 2 1 1 A 209 209 ASN N N 215 129.805 125.652 4.153 1 1 2371 . 2 1 1 A 210 210 GLN H H 216 8.614 8.414 0.200 1 1 2372 . 2 1 1 A 210 210 GLN HA H 216 3.453 3.908 -0.455 1 1 2379 . 2 1 1 A 210 210 GLN C C 216 173.521 175.033 -1.512 1 1 2380 . 2 1 1 A 210 210 GLN CA C 216 57.881 57.131 0.750 1 1 2381 . 2 1 1 A 210 210 GLN CB C 216 26.089 26.623 -0.534 1 1 2383 . 2 1 1 A 210 210 GLN N N 216 106.396 110.783 -4.387 1 1 2385 . 2 1 1 A 211 211 ALA H H 217 7.657 7.810 -0.153 1 1 2386 . 2 1 1 A 211 211 ALA HA H 217 4.608 4.554 0.054 1 1 2390 . 2 1 1 A 211 211 ALA C C 217 176.432 177.336 -0.904 1 1 2391 . 2 1 1 A 211 211 ALA CA C 217 50.786 53.298 -2.512 1 1 2392 . 2 1 1 A 211 211 ALA CB C 217 20.499 21.194 -0.695 1 1 2393 . 2 1 1 A 211 211 ALA N N 217 123.338 118.539 4.799 1 1 2394 . 2 1 1 A 212 212 GLU H H 218 8.712 7.888 0.824 1 1 2395 . 2 1 1 A 212 212 GLU HA H 218 4.525 4.481 0.044 1 1 2400 . 2 1 1 A 212 212 GLU C C 218 177.924 175.504 2.420 1 1 2401 . 2 1 1 A 212 212 GLU CA C 218 57.550 56.766 0.784 1 1 2402 . 2 1 1 A 212 212 GLU CB C 218 28.811 30.974 -2.163 1 1 2404 . 2 1 1 A 212 212 GLU N N 218 122.631 117.572 5.059 1 1 2405 . 2 1 1 A 213 213 LYS H H 219 8.835 8.547 0.288 1 1 2406 . 2 1 1 A 213 213 LYS HA H 219 4.612 4.828 -0.216 1 1 2415 . 2 1 1 A 213 213 LYS C C 219 173.786 176.249 -2.463 1 1 2416 . 2 1 1 A 213 213 LYS CA C 219 53.115 55.220 -2.105 1 1 2417 . 2 1 1 A 213 213 LYS CB C 219 34.180 33.756 0.424 1 1 2421 . 2 1 1 A 213 213 LYS N N 219 126.870 120.333 6.537 1 1 2422 . 2 1 1 A 214 214 GLY H H 220 7.929 9.112 -1.183 1 1 2423 . 2 1 1 A 214 214 GLY HA2 H 220 5.469 4.036 1.433 1 1 2424 . 2 1 1 A 214 214 GLY HA3 H 220 3.719 4.044 -0.325 1 1 2425 . 2 1 1 A 214 214 GLY C C 220 173.926 172.761 1.165 1 1 2426 . 2 1 1 A 214 214 GLY CA C 220 44.536 44.243 0.293 1 1 2427 . 2 1 1 A 214 214 GLY N N 220 107.019 112.170 -5.151 1 1 2428 . 2 1 1 A 215 215 SER H H 221 8.678 8.593 0.085 1 1 2429 . 2 1 1 A 215 215 SER HA H 221 5.460 5.478 -0.018 1 1 2432 . 2 1 1 A 215 215 SER C C 221 171.043 173.023 -1.980 1 1 2433 . 2 1 1 A 215 215 SER CA C 221 56.810 57.139 -0.329 1 1 2434 . 2 1 1 A 215 215 SER CB C 221 66.671 66.534 0.137 1 1 2435 . 2 1 1 A 215 215 SER N N 221 117.334 113.659 3.675 1 1 2436 . 2 1 1 A 216 216 TYR H H 222 8.958 9.185 -0.227 1 1 2437 . 2 1 1 A 216 216 TYR HA H 222 5.389 5.603 -0.214 1 1 2445 . 2 1 1 A 216 216 TYR C C 222 172.789 173.067 -0.278 1 1 2446 . 2 1 1 A 216 216 TYR CA C 222 55.819 55.605 0.214 1 1 2447 . 2 1 1 A 216 216 TYR CB C 222 41.681 42.282 -0.601 1 1 2448 . 2 1 1 A 216 216 TYR N N 222 117.645 119.131 -1.486 1 1 2449 . 2 1 1 A 217 217 SER H H 223 8.837 9.359 -0.522 1 1 2450 . 2 1 1 A 217 217 SER HA H 223 5.165 5.221 -0.056 1 1 2453 . 2 1 1 A 217 217 SER C C 223 173.125 173.004 0.121 1 1 2454 . 2 1 1 A 217 217 SER CA C 223 56.600 56.574 0.026 1 1 2455 . 2 1 1 A 217 217 SER CB C 223 64.500 66.268 -1.768 1 1 2456 . 2 1 1 A 217 217 SER N N 223 115.593 114.389 1.204 1 1 2457 . 2 1 1 A 218 218 LEU H H 224 9.299 8.432 0.867 1 1 2458 . 2 1 1 A 218 218 LEU HA H 224 4.748 4.884 -0.136 1 1 2468 . 2 1 1 A 218 218 LEU C C 224 175.567 174.562 1.005 1 1 2469 . 2 1 1 A 218 218 LEU CA C 224 53.138 53.653 -0.515 1 1 2470 . 2 1 1 A 218 218 LEU CB C 224 46.255 44.858 1.397 1 1 2474 . 2 1 1 A 218 218 LEU N N 224 123.523 120.989 2.534 1 1 2475 . 2 1 1 A 219 219 GLY H H 225 9.041 8.307 0.734 1 1 2476 . 2 1 1 A 219 219 GLY HA2 H 225 4.620 3.998 0.622 1 1 2477 . 2 1 1 A 219 219 GLY HA3 H 225 3.413 4.182 -0.769 1 1 2478 . 2 1 1 A 219 219 GLY C C 225 171.514 171.509 0.005 1 1 2479 . 2 1 1 A 219 219 GLY CA C 225 43.777 43.566 0.211 1 1 2480 . 2 1 1 A 219 219 GLY N N 225 108.999 106.136 2.863 1 1 2481 . 2 1 1 A 220 220 ILE H H 226 6.853 8.406 -1.553 1 1 2482 . 2 1 1 A 220 220 ILE HA H 226 4.615 4.385 0.230 1 1 2492 . 2 1 1 A 220 220 ILE C C 226 174.750 175.230 -0.480 1 1 2493 . 2 1 1 A 220 220 ILE CA C 226 60.421 60.976 -0.555 1 1 2494 . 2 1 1 A 220 220 ILE CB C 226 38.213 38.376 -0.163 1 1 2498 . 2 1 1 A 220 220 ILE N N 226 120.223 121.915 -1.692 1 1 2499 . 2 1 1 A 221 221 PHE H H 227 9.392 8.557 0.835 1 1 2500 . 2 1 1 A 221 221 PHE HA H 227 4.770 5.145 -0.375 1 1 2507 . 2 1 1 A 221 221 PHE C C 227 175.093 175.163 -0.070 1 1 2508 . 2 1 1 A 221 221 PHE CA C 227 58.053 56.998 1.055 1 1 2509 . 2 1 1 A 221 221 PHE CB C 227 42.505 42.480 0.025 1 1 2510 . 2 1 1 A 221 221 PHE N N 227 128.229 125.134 3.095 1 1 2511 . 2 1 1 A 222 222 GLY H H 228 8.675 9.007 -0.332 1 1 2512 . 2 1 1 A 222 222 GLY HA2 H 228 3.174 4.149 -0.975 1 1 2513 . 2 1 1 A 222 222 GLY HA3 H 228 4.311 4.185 0.126 1 1 2514 . 2 1 1 A 222 222 GLY CA C 228 42.438 44.542 -2.104 1 1 2515 . 2 1 1 A 222 222 GLY N N 228 104.634 111.172 -6.538 1 1 2516 . 2 1 1 A 223 223 GLY CA C 229 46.870 47.161 -0.291 1 1 2517 . 2 1 1 A 224 224 LYS H H 230 8.366 7.668 0.698 1 1 2518 . 2 1 1 A 224 224 LYS HA H 230 4.305 4.574 -0.269 1 1 2523 . 2 1 1 A 224 224 LYS C C 230 174.717 175.560 -0.843 1 1 2524 . 2 1 1 A 224 224 LYS CA C 230 54.119 54.896 -0.777 1 1 2525 . 2 1 1 A 224 224 LYS CB C 230 30.821 32.891 -2.070 1 1 2527 . 2 1 1 A 224 224 LYS N N 230 118.720 118.145 0.575 1 1 2528 . 2 1 1 A 225 225 ALA H H 231 7.633 8.007 -0.374 1 1 2529 . 2 1 1 A 225 225 ALA HA H 231 3.810 4.282 -0.472 1 1 2533 . 2 1 1 A 225 225 ALA C C 231 176.702 177.413 -0.711 1 1 2534 . 2 1 1 A 225 225 ALA CA C 231 51.868 53.024 -1.156 1 1 2535 . 2 1 1 A 225 225 ALA CB C 231 16.117 17.780 -1.663 1 1 2536 . 2 1 1 A 225 225 ALA N N 231 118.077 120.686 -2.609 1 1 2537 . 2 1 1 A 226 226 GLN H H 232 9.387 8.188 1.199 1 1 2538 . 2 1 1 A 226 226 GLN HA H 232 3.877 4.313 -0.436 1 1 2543 . 2 1 1 A 226 226 GLN C C 232 175.992 176.140 -0.148 1 1 2544 . 2 1 1 A 226 226 GLN CA C 232 60.989 57.732 3.257 1 1 2545 . 2 1 1 A 226 226 GLN CB C 232 28.695 28.966 -0.271 1 1 2547 . 2 1 1 A 226 226 GLN N N 232 117.991 119.760 -1.769 1 1 2548 . 2 1 1 A 227 227 GLU H H 233 8.825 7.314 1.511 1 1 2549 . 2 1 1 A 227 227 GLU HA H 233 5.411 4.564 0.847 1 1 2554 . 2 1 1 A 227 227 GLU C C 233 174.939 173.790 1.149 1 1 2555 . 2 1 1 A 227 227 GLU CA C 233 54.289 55.412 -1.123 1 1 2556 . 2 1 1 A 227 227 GLU CB C 233 33.797 31.630 2.167 1 1 2558 . 2 1 1 A 227 227 GLU N N 233 116.638 114.276 2.362 1 1 2559 . 2 1 1 A 228 228 VAL H H 234 8.343 8.584 -0.241 1 1 2560 . 2 1 1 A 228 228 VAL HA H 234 5.544 4.870 0.674 1 1 2568 . 2 1 1 A 228 228 VAL C C 234 174.839 174.392 0.447 1 1 2569 . 2 1 1 A 228 228 VAL CA C 234 57.867 59.776 -1.909 1 1 2570 . 2 1 1 A 228 228 VAL CB C 234 35.379 35.789 -0.410 1 1 2573 . 2 1 1 A 228 228 VAL N N 234 109.304 115.317 -6.013 1 1 2574 . 2 1 1 A 229 229 ALA H H 235 8.475 8.034 0.441 1 1 2575 . 2 1 1 A 229 229 ALA HA H 235 4.937 4.824 0.113 1 1 2579 . 2 1 1 A 229 229 ALA C C 235 176.417 175.971 0.446 1 1 2580 . 2 1 1 A 229 229 ALA CA C 235 51.303 51.308 -0.005 1 1 2581 . 2 1 1 A 229 229 ALA CB C 235 20.301 23.223 -2.922 1 1 2582 . 2 1 1 A 229 229 ALA N N 235 120.653 123.447 -2.794 1 1 2583 . 2 1 1 A 230 230 GLY H H 236 9.361 7.982 1.379 1 1 2584 . 2 1 1 A 230 230 GLY HA2 H 236 5.075 4.209 0.866 1 1 2585 . 2 1 1 A 230 230 GLY HA3 H 236 4.017 4.244 -0.227 1 1 2586 . 2 1 1 A 230 230 GLY C C 236 170.130 171.959 -1.829 1 1 2587 . 2 1 1 A 230 230 GLY CA C 236 46.221 45.948 0.273 1 1 2588 . 2 1 1 A 230 230 GLY N N 236 111.104 105.982 5.122 1 1 2589 . 2 1 1 A 231 231 SER H H 237 8.889 8.921 -0.032 1 1 2590 . 2 1 1 A 231 231 SER HA H 237 5.276 5.404 -0.128 1 1 2593 . 2 1 1 A 231 231 SER C C 237 171.360 172.984 -1.624 1 1 2594 . 2 1 1 A 231 231 SER CA C 237 56.498 57.388 -0.890 1 1 2595 . 2 1 1 A 231 231 SER CB C 237 66.398 66.501 -0.103 1 1 2596 . 2 1 1 A 231 231 SER N N 237 115.308 115.881 -0.573 1 1 2597 . 2 1 1 A 232 232 ALA H H 238 9.083 8.994 0.089 1 1 2598 . 2 1 1 A 232 232 ALA HA H 238 5.148 5.450 -0.302 1 1 2602 . 2 1 1 A 232 232 ALA C C 238 174.537 175.683 -1.146 1 1 2603 . 2 1 1 A 232 232 ALA CA C 238 49.904 50.523 -0.619 1 1 2604 . 2 1 1 A 232 232 ALA CB C 238 21.729 23.302 -1.573 1 1 2605 . 2 1 1 A 232 232 ALA N N 238 119.911 123.930 -4.019 1 1 2606 . 2 1 1 A 233 233 GLU H H 239 9.015 8.953 0.062 1 1 2607 . 2 1 1 A 233 233 GLU HA H 239 4.631 5.097 -0.466 1 1 2612 . 2 1 1 A 233 233 GLU C C 239 174.122 174.448 -0.326 1 1 2613 . 2 1 1 A 233 233 GLU CA C 239 54.786 54.712 0.074 1 1 2614 . 2 1 1 A 233 233 GLU CB C 239 31.355 32.455 -1.100 1 1 2616 . 2 1 1 A 233 233 GLU N N 239 122.744 120.868 1.876 1 1 2617 . 2 1 1 A 234 234 VAL H H 240 8.792 9.085 -0.293 1 1 2618 . 2 1 1 A 234 234 VAL HA H 240 4.394 4.857 -0.463 1 1 2623 . 2 1 1 A 234 234 VAL C C 240 174.833 173.975 0.858 1 1 2624 . 2 1 1 A 234 234 VAL CA C 240 61.427 59.201 2.226 1 1 2625 . 2 1 1 A 234 234 VAL CB C 240 33.863 34.135 -0.272 1 1 2627 . 2 1 1 A 234 234 VAL N N 240 124.203 121.948 2.255 1 1 2628 . 2 1 1 A 235 235 LYS H H 241 8.841 8.720 0.121 1 1 2629 . 2 1 1 A 235 235 LYS HA H 241 3.981 4.982 -1.001 1 1 2638 . 2 1 1 A 235 235 LYS C C 241 174.548 175.433 -0.885 1 1 2639 . 2 1 1 A 235 235 LYS CA C 241 55.955 54.647 1.308 1 1 2640 . 2 1 1 A 235 235 LYS CB C 241 32.100 34.811 -2.711 1 1 2644 . 2 1 1 A 235 235 LYS N N 241 127.554 127.063 0.491 1 1 2645 . 2 1 1 A 236 236 THR H H 242 7.212 8.627 -1.415 1 1 2646 . 2 1 1 A 236 236 THR HA H 242 4.355 4.944 -0.589 1 1 2651 . 2 1 1 A 236 236 THR C C 242 176.482 175.357 1.125 1 1 2652 . 2 1 1 A 236 236 THR CA C 242 61.054 59.163 1.891 1 1 2653 . 2 1 1 A 236 236 THR CB C 242 72.642 72.583 0.059 1 1 2655 . 2 1 1 A 236 236 THR N N 242 114.463 115.250 -0.787 1 1 2656 . 2 1 1 A 237 237 VAL H H 243 9.582 9.001 0.581 1 1 2657 . 2 1 1 A 237 237 VAL HA H 243 3.849 3.685 0.164 1 1 2665 . 2 1 1 A 237 237 VAL C C 243 176.201 177.602 -1.401 1 1 2666 . 2 1 1 A 237 237 VAL CA C 243 64.701 66.580 -1.879 1 1 2667 . 2 1 1 A 237 237 VAL CB C 243 31.028 31.611 -0.583 1 1 2669 . 2 1 1 A 237 237 VAL N N 243 120.670 122.501 -1.831 1 1 2670 . 2 1 1 A 238 238 ASN H H 244 7.572 7.675 -0.103 1 1 2671 . 2 1 1 A 238 238 ASN HA H 244 4.882 4.826 0.056 1 1 2676 . 2 1 1 A 238 238 ASN C C 244 173.835 175.662 -1.827 1 1 2677 . 2 1 1 A 238 238 ASN CA C 244 52.022 53.155 -1.133 1 1 2678 . 2 1 1 A 238 238 ASN CB C 244 39.176 39.048 0.128 1 1 2679 . 2 1 1 A 238 238 ASN N N 244 115.638 116.892 -1.254 1 1 2681 . 2 1 1 A 239 239 GLY H H 245 7.362 8.069 -0.707 1 1 2682 . 2 1 1 A 239 239 GLY HA2 H 245 4.539 4.098 0.441 1 1 2683 . 2 1 1 A 239 239 GLY HA3 H 245 3.728 4.108 -0.380 1 1 2684 . 2 1 1 A 239 239 GLY C C 245 174.343 173.356 0.987 1 1 2685 . 2 1 1 A 239 239 GLY CA C 245 43.316 44.578 -1.262 1 1 2686 . 2 1 1 A 239 239 GLY N N 245 107.650 106.526 1.124 1 1 2687 . 2 1 1 A 240 240 ILE H H 246 8.672 8.301 0.371 1 1 2688 . 2 1 1 A 240 240 ILE HA H 246 4.351 4.488 -0.137 1 1 2698 . 2 1 1 A 240 240 ILE C C 246 176.899 174.885 2.014 1 1 2699 . 2 1 1 A 240 240 ILE CA C 246 61.120 61.378 -0.258 1 1 2700 . 2 1 1 A 240 240 ILE CB C 246 36.906 38.532 -1.626 1 1 2704 . 2 1 1 A 240 240 ILE N N 246 122.673 121.613 1.060 1 1 2705 . 2 1 1 A 241 241 ARG H H 247 9.233 8.996 0.237 1 1 2706 . 2 1 1 A 241 241 ARG HA H 247 4.370 5.230 -0.860 1 1 2713 . 2 1 1 A 241 241 ARG C C 247 173.925 174.972 -1.047 1 1 2714 . 2 1 1 A 241 241 ARG CA C 247 53.461 54.496 -1.035 1 1 2715 . 2 1 1 A 241 241 ARG CB C 247 31.910 34.012 -2.102 1 1 2718 . 2 1 1 A 241 241 ARG N N 247 128.497 127.671 0.826 1 1 2719 . 2 1 1 A 242 242 HIS H H 248 8.519 9.130 -0.611 1 1 2720 . 2 1 1 A 242 242 HIS HA H 248 5.323 5.178 0.145 1 1 2725 . 2 1 1 A 242 242 HIS C C 248 174.635 175.042 -0.407 1 1 2726 . 2 1 1 A 242 242 HIS CA C 248 55.759 55.414 0.345 1 1 2727 . 2 1 1 A 242 242 HIS CB C 248 32.921 31.952 0.969 1 1 2728 . 2 1 1 A 242 242 HIS N N 248 121.131 121.015 0.116 1 1 2729 . 2 1 1 A 243 243 ILE H H 249 8.723 8.992 -0.269 1 1 2730 . 2 1 1 A 243 243 ILE HA H 249 4.522 4.715 -0.193 1 1 2740 . 2 1 1 A 243 243 ILE C C 249 176.188 175.577 0.611 1 1 2741 . 2 1 1 A 243 243 ILE CA C 249 58.524 59.823 -1.299 1 1 2742 . 2 1 1 A 243 243 ILE CB C 249 41.977 42.250 -0.273 1 1 2746 . 2 1 1 A 243 243 ILE N N 249 119.438 123.383 -3.945 1 1 2747 . 2 1 1 A 244 244 GLY H H 250 9.351 8.658 0.693 1 1 2748 . 2 1 1 A 244 244 GLY HA2 H 250 3.707 2.894 0.813 1 1 2749 . 2 1 1 A 244 244 GLY HA3 H 250 2.119 3.823 -1.704 1 1 2750 . 2 1 1 A 244 244 GLY C C 250 170.981 171.954 -0.973 1 1 2751 . 2 1 1 A 244 244 GLY CA C 250 44.178 44.125 0.053 1 1 2752 . 2 1 1 A 244 244 GLY N N 250 113.700 114.297 -0.597 1 1 2753 . 2 1 1 A 245 245 LEU H H 251 7.833 8.596 -0.763 1 1 2754 . 2 1 1 A 245 245 LEU HA H 251 4.717 4.991 -0.274 1 1 2764 . 2 1 1 A 245 245 LEU C C 251 174.501 176.071 -1.570 1 1 2765 . 2 1 1 A 245 245 LEU CA C 251 52.508 53.651 -1.143 1 1 2766 . 2 1 1 A 245 245 LEU CB C 251 46.764 43.737 3.027 1 1 2770 . 2 1 1 A 245 245 LEU N N 251 120.798 124.311 -3.513 1 1 2771 . 2 1 1 A 246 246 ALA H H 252 7.906 8.720 -0.814 1 1 2772 . 2 1 1 A 246 246 ALA HA H 252 4.589 5.011 -0.422 1 1 2776 . 2 1 1 A 246 246 ALA C C 252 173.363 175.596 -2.233 1 1 2777 . 2 1 1 A 246 246 ALA CA C 252 51.546 51.511 0.035 1 1 2778 . 2 1 1 A 246 246 ALA CB C 252 21.524 20.737 0.787 1 1 2779 . 2 1 1 A 246 246 ALA N N 252 122.885 124.694 -1.809 1 1 2780 . 2 1 1 A 247 247 ALA H H 253 9.041 8.548 0.493 1 1 2781 . 2 1 1 A 247 247 ALA HA H 253 4.726 5.279 -0.553 1 1 2785 . 2 1 1 A 247 247 ALA C C 253 174.897 175.248 -0.351 1 1 2786 . 2 1 1 A 247 247 ALA CA C 253 51.723 51.146 0.577 1 1 2787 . 2 1 1 A 247 247 ALA CB C 253 22.967 22.460 0.507 1 1 2788 . 2 1 1 A 247 247 ALA N N 253 122.967 124.826 -1.859 1 1 2789 . 2 1 1 A 248 248 LYS H H 254 8.171 8.823 -0.652 1 1 2790 . 2 1 1 A 248 248 LYS HA H 254 5.731 5.011 0.720 1 1 2797 . 2 1 1 A 248 248 LYS C C 254 175.094 174.803 0.291 1 1 2798 . 2 1 1 A 248 248 LYS CA C 254 53.866 54.255 -0.389 1 1 2799 . 2 1 1 A 248 248 LYS CB C 254 36.312 36.250 0.062 1 1 2802 . 2 1 1 A 248 248 LYS N N 254 115.734 122.713 -6.979 1 1 60 . 3 1 1 A 9 9 GLY H H 15 8.346 8.254 0.092 1 1 61 . 3 1 1 A 9 9 GLY HA2 H 15 4.021 3.937 0.084 1 1 62 . 3 1 1 A 9 9 GLY HA3 H 15 3.772 3.938 -0.166 1 1 63 . 3 1 1 A 9 9 GLY C C 15 174.259 175.250 -0.991 1 1 64 . 3 1 1 A 9 9 GLY CA C 15 45.581 46.118 -0.537 1 1 65 . 3 1 1 A 9 9 GLY N N 15 107.368 107.236 0.132 1 1 66 . 3 1 1 A 10 10 LEU H H 16 7.224 7.787 -0.563 1 1 67 . 3 1 1 A 10 10 LEU HA H 16 3.736 4.071 -0.335 1 1 77 . 3 1 1 A 10 10 LEU C C 16 178.202 179.091 -0.889 1 1 78 . 3 1 1 A 10 10 LEU CA C 16 57.915 57.478 0.437 1 1 79 . 3 1 1 A 10 10 LEU CB C 16 40.686 41.469 -0.783 1 1 83 . 3 1 1 A 10 10 LEU N N 16 117.616 121.819 -4.203 1 1 84 . 3 1 1 A 11 11 ALA H H 17 7.860 7.970 -0.110 1 1 85 . 3 1 1 A 11 11 ALA HA H 17 3.937 4.004 -0.067 1 1 89 . 3 1 1 A 11 11 ALA C C 17 181.090 179.082 2.008 1 1 90 . 3 1 1 A 11 11 ALA CA C 17 54.860 55.308 -0.448 1 1 91 . 3 1 1 A 11 11 ALA CB C 17 17.248 18.120 -0.872 1 1 92 . 3 1 1 A 11 11 ALA N N 17 117.757 122.152 -4.395 1 1 93 . 3 1 1 A 12 12 ASP H H 18 8.017 8.145 -0.128 1 1 94 . 3 1 1 A 12 12 ASP HA H 18 4.223 4.356 -0.133 1 1 97 . 3 1 1 A 12 12 ASP C C 18 177.941 178.352 -0.411 1 1 98 . 3 1 1 A 12 12 ASP CA C 18 56.341 57.115 -0.774 1 1 99 . 3 1 1 A 12 12 ASP CB C 18 39.312 40.846 -1.534 1 1 100 . 3 1 1 A 12 12 ASP N N 18 118.410 118.834 -0.424 1 1 101 . 3 1 1 A 13 13 ALA H H 19 8.205 7.793 0.412 1 1 102 . 3 1 1 A 13 13 ALA HA H 19 3.952 4.096 -0.144 1 1 106 . 3 1 1 A 13 13 ALA C C 19 178.856 177.781 1.075 1 1 107 . 3 1 1 A 13 13 ALA CA C 19 55.039 53.973 1.066 1 1 108 . 3 1 1 A 13 13 ALA CB C 19 17.779 18.136 -0.357 1 1 109 . 3 1 1 A 13 13 ALA N N 19 121.480 121.573 -0.093 1 1 110 . 3 1 1 A 14 14 LEU H H 20 7.217 7.563 -0.346 1 1 111 . 3 1 1 A 14 14 LEU HA H 20 4.258 4.389 -0.131 1 1 121 . 3 1 1 A 14 14 LEU C C 20 177.544 178.104 -0.560 1 1 122 . 3 1 1 A 14 14 LEU CA C 20 55.511 55.163 0.348 1 1 123 . 3 1 1 A 14 14 LEU CB C 20 42.176 42.372 -0.196 1 1 126 . 3 1 1 A 14 14 LEU N N 20 113.410 116.175 -2.765 1 1 127 . 3 1 1 A 15 15 THR H H 21 7.624 7.210 0.414 1 1 128 . 3 1 1 A 15 15 THR HA H 21 4.394 4.508 -0.114 1 1 133 . 3 1 1 A 15 15 THR C C 21 174.959 174.746 0.213 1 1 134 . 3 1 1 A 15 15 THR CA C 21 61.733 62.556 -0.823 1 1 135 . 3 1 1 A 15 15 THR CB C 21 71.514 69.832 1.682 1 1 137 . 3 1 1 A 15 15 THR N N 21 106.072 107.472 -1.400 1 1 138 . 3 1 1 A 16 16 ALA H H 22 8.932 7.664 1.268 1 1 139 . 3 1 1 A 16 16 ALA HA H 22 4.624 4.477 0.147 1 1 143 . 3 1 1 A 16 16 ALA C C 22 175.978 175.917 0.061 1 1 144 . 3 1 1 A 16 16 ALA CA C 22 50.681 50.329 0.352 1 1 145 . 3 1 1 A 16 16 ALA CB C 22 18.728 19.144 -0.416 1 1 146 . 3 1 1 A 16 16 ALA N N 22 127.789 124.366 3.423 1 1 147 . 3 1 1 A 17 17 PRO HA H 23 4.430 4.573 -0.143 1 1 154 . 3 1 1 A 17 17 PRO CA C 23 61.497 62.726 -1.229 1 1 155 . 3 1 1 A 17 17 PRO CB C 23 31.775 32.311 -0.536 1 1 158 . 3 1 1 A 18 18 LEU H H 24 8.154 8.309 -0.155 1 1 159 . 3 1 1 A 18 18 LEU HA H 24 3.894 4.836 -0.942 1 1 169 . 3 1 1 A 18 18 LEU C C 24 176.447 174.787 1.660 1 1 170 . 3 1 1 A 18 18 LEU CA C 24 55.510 52.764 2.746 1 1 171 . 3 1 1 A 18 18 LEU CB C 24 40.921 44.643 -3.722 1 1 175 . 3 1 1 A 18 18 LEU N N 24 121.010 121.361 -0.351 1 1 176 . 3 1 1 A 19 19 ASP H H 25 8.758 8.487 0.271 1 1 177 . 3 1 1 A 19 19 ASP HA H 25 4.626 4.718 -0.092 1 1 180 . 3 1 1 A 19 19 ASP C C 25 176.425 176.832 -0.407 1 1 181 . 3 1 1 A 19 19 ASP CA C 25 52.688 53.902 -1.214 1 1 182 . 3 1 1 A 19 19 ASP CB C 25 42.819 42.093 0.726 1 1 183 . 3 1 1 A 19 19 ASP N N 25 124.654 120.996 3.658 1 1 184 . 3 1 1 A 20 20 HIS HA H 26 4.272 4.299 -0.027 1 1 189 . 3 1 1 A 20 20 HIS CA C 26 58.100 59.017 -0.917 1 1 190 . 3 1 1 A 20 20 HIS CB C 26 29.200 30.199 -0.999 1 1 191 . 3 1 1 A 21 21 LYS H H 27 8.348 7.616 0.732 1 1 192 . 3 1 1 A 21 21 LYS HA H 27 3.970 4.458 -0.488 1 1 201 . 3 1 1 A 21 21 LYS C C 27 177.393 176.967 0.426 1 1 202 . 3 1 1 A 21 21 LYS CA C 27 56.320 55.375 0.945 1 1 203 . 3 1 1 A 21 21 LYS CB C 27 30.950 33.568 -2.618 1 1 206 . 3 1 1 A 21 21 LYS N N 27 118.419 112.203 6.216 1 1 207 . 3 1 1 A 22 22 ASP H H 28 7.451 8.520 -1.069 1 1 208 . 3 1 1 A 22 22 ASP HA H 28 4.307 4.284 0.023 1 1 211 . 3 1 1 A 22 22 ASP C C 28 176.212 175.970 0.242 1 1 212 . 3 1 1 A 22 22 ASP CA C 28 54.164 56.267 -2.103 1 1 213 . 3 1 1 A 22 22 ASP CB C 28 40.091 39.864 0.227 1 1 214 . 3 1 1 A 22 22 ASP N N 28 120.045 115.266 4.779 1 1 215 . 3 1 1 A 23 23 LYS H H 29 8.416 8.151 0.265 1 1 216 . 3 1 1 A 23 23 LYS HA H 29 3.962 4.499 -0.537 1 1 225 . 3 1 1 A 23 23 LYS C C 29 177.409 175.734 1.675 1 1 226 . 3 1 1 A 23 23 LYS CA C 29 56.254 56.582 -0.328 1 1 227 . 3 1 1 A 23 23 LYS CB C 29 31.950 34.682 -2.732 1 1 231 . 3 1 1 A 23 23 LYS N N 29 121.925 115.174 6.751 1 1 232 . 3 1 1 A 24 24 GLY H H 30 8.612 7.718 0.894 1 1 233 . 3 1 1 A 24 24 GLY HA2 H 30 3.655 4.070 -0.415 1 1 234 . 3 1 1 A 24 24 GLY HA3 H 30 3.519 4.078 -0.559 1 1 235 . 3 1 1 A 24 24 GLY CA C 30 44.788 45.663 -0.875 1 1 236 . 3 1 1 A 24 24 GLY N N 30 111.487 108.184 3.303 1 1 237 . 3 1 1 A 25 25 LEU H H 31 8.054 8.183 -0.129 1 1 238 . 3 1 1 A 25 25 LEU HA H 31 3.770 4.293 -0.523 1 1 248 . 3 1 1 A 25 25 LEU CA C 31 55.906 55.791 0.115 1 1 249 . 3 1 1 A 25 25 LEU CB C 31 44.428 42.049 2.379 1 1 253 . 3 1 1 A 25 25 LEU N N 31 127.196 123.307 3.889 1 1 254 . 3 1 1 A 26 26 GLN H H 32 9.184 8.750 0.434 1 1 255 . 3 1 1 A 26 26 GLN HA H 32 3.437 4.740 -1.303 1 1 262 . 3 1 1 A 26 26 GLN C C 32 174.347 175.126 -0.779 1 1 263 . 3 1 1 A 26 26 GLN CA C 32 57.926 55.149 2.777 1 1 264 . 3 1 1 A 26 26 GLN CB C 32 27.721 30.122 -2.401 1 1 266 . 3 1 1 A 26 26 GLN N N 32 131.782 123.001 8.781 1 1 268 . 3 1 1 A 27 27 SER H H 33 7.240 7.763 -0.523 1 1 269 . 3 1 1 A 27 27 SER HA H 33 4.981 4.998 -0.017 1 1 272 . 3 1 1 A 27 27 SER C C 33 171.111 171.764 -0.653 1 1 273 . 3 1 1 A 27 27 SER CA C 33 56.782 56.894 -0.112 1 1 274 . 3 1 1 A 27 27 SER CB C 33 64.611 65.306 -0.695 1 1 275 . 3 1 1 A 27 27 SER N N 33 108.936 113.385 -4.449 1 1 276 . 3 1 1 A 28 28 LEU H H 34 8.010 8.280 -0.270 1 1 277 . 3 1 1 A 28 28 LEU HA H 34 4.372 4.803 -0.431 1 1 287 . 3 1 1 A 28 28 LEU C C 34 174.697 174.962 -0.265 1 1 288 . 3 1 1 A 28 28 LEU CA C 34 53.332 54.468 -1.136 1 1 289 . 3 1 1 A 28 28 LEU CB C 34 45.636 45.370 0.266 1 1 293 . 3 1 1 A 28 28 LEU N N 34 121.826 124.129 -2.303 1 1 294 . 3 1 1 A 29 29 THR H H 35 8.810 8.856 -0.046 1 1 295 . 3 1 1 A 29 29 THR HA H 35 4.046 4.736 -0.690 1 1 300 . 3 1 1 A 29 29 THR C C 35 172.792 174.448 -1.656 1 1 301 . 3 1 1 A 29 29 THR CA C 35 62.565 61.629 0.936 1 1 302 . 3 1 1 A 29 29 THR CB C 35 68.233 70.444 -2.211 1 1 304 . 3 1 1 A 29 29 THR N N 35 123.892 121.926 1.966 1 1 305 . 3 1 1 A 30 30 LEU H H 36 8.662 8.693 -0.031 1 1 306 . 3 1 1 A 30 30 LEU HA H 36 4.150 4.645 -0.495 1 1 316 . 3 1 1 A 30 30 LEU C C 36 174.707 176.794 -2.087 1 1 317 . 3 1 1 A 30 30 LEU CA C 36 53.789 54.367 -0.578 1 1 318 . 3 1 1 A 30 30 LEU CB C 36 40.562 41.130 -0.568 1 1 322 . 3 1 1 A 30 30 LEU N N 36 128.365 126.134 2.231 1 1 323 . 3 1 1 A 31 31 ASP H H 37 8.500 7.933 0.567 1 1 324 . 3 1 1 A 31 31 ASP HA H 37 4.837 4.420 0.417 1 1 327 . 3 1 1 A 31 31 ASP CA C 37 54.657 56.283 -1.626 1 1 328 . 3 1 1 A 31 31 ASP CB C 37 43.089 41.069 2.020 1 1 329 . 3 1 1 A 31 31 ASP N N 37 123.194 121.644 1.550 1 1 330 . 3 1 1 A 32 32 GLN H H 38 10.453 8.166 2.287 1 1 331 . 3 1 1 A 32 32 GLN HA H 38 3.808 4.372 -0.564 1 1 338 . 3 1 1 A 32 32 GLN C C 38 178.535 178.007 0.528 1 1 339 . 3 1 1 A 32 32 GLN CA C 38 56.284 56.484 -0.200 1 1 340 . 3 1 1 A 32 32 GLN CB C 38 28.175 29.462 -1.287 1 1 342 . 3 1 1 A 32 32 GLN N N 38 120.692 116.687 4.005 1 1 344 . 3 1 1 A 33 33 SER H H 39 8.523 7.999 0.524 1 1 345 . 3 1 1 A 33 33 SER HA H 39 4.081 4.252 -0.171 1 1 348 . 3 1 1 A 33 33 SER C C 39 171.792 173.730 -1.938 1 1 349 . 3 1 1 A 33 33 SER CA C 39 61.436 61.648 -0.212 1 1 350 . 3 1 1 A 33 33 SER CB C 39 63.008 63.591 -0.583 1 1 351 . 3 1 1 A 33 33 SER N N 39 111.712 115.746 -4.034 1 1 352 . 3 1 1 A 34 34 VAL H H 40 6.691 8.022 -1.331 1 1 353 . 3 1 1 A 34 34 VAL HA H 40 3.890 4.746 -0.856 1 1 361 . 3 1 1 A 34 34 VAL C C 40 172.251 174.517 -2.266 1 1 362 . 3 1 1 A 34 34 VAL CA C 40 60.415 59.741 0.674 1 1 363 . 3 1 1 A 34 34 VAL CB C 40 32.306 35.368 -3.062 1 1 366 . 3 1 1 A 34 34 VAL N N 40 115.971 118.379 -2.408 1 1 367 . 3 1 1 A 35 35 ARG H H 41 8.184 8.838 -0.654 1 1 368 . 3 1 1 A 35 35 ARG HA H 41 4.176 4.430 -0.254 1 1 375 . 3 1 1 A 35 35 ARG C C 41 176.886 177.784 -0.898 1 1 376 . 3 1 1 A 35 35 ARG CA C 41 55.599 55.486 0.113 1 1 377 . 3 1 1 A 35 35 ARG CB C 41 30.569 31.210 -0.641 1 1 380 . 3 1 1 A 35 35 ARG N N 41 125.397 125.902 -0.505 1 1 381 . 3 1 1 A 36 36 LYS H H 42 8.493 8.574 -0.081 1 1 382 . 3 1 1 A 36 36 LYS HA H 42 3.778 4.251 -0.473 1 1 391 . 3 1 1 A 36 36 LYS C C 42 176.596 176.997 -0.401 1 1 392 . 3 1 1 A 36 36 LYS CA C 42 58.687 57.996 0.691 1 1 393 . 3 1 1 A 36 36 LYS CB C 42 31.959 32.098 -0.139 1 1 397 . 3 1 1 A 36 36 LYS N N 42 119.360 122.082 -2.722 1 1 398 . 3 1 1 A 37 37 ASN H H 43 8.513 7.897 0.616 1 1 399 . 3 1 1 A 37 37 ASN HA H 43 4.438 4.904 -0.466 1 1 404 . 3 1 1 A 37 37 ASN C C 43 173.867 174.173 -0.306 1 1 405 . 3 1 1 A 37 37 ASN CA C 43 55.127 53.020 2.107 1 1 406 . 3 1 1 A 37 37 ASN CB C 43 37.071 40.361 -3.290 1 1 407 . 3 1 1 A 37 37 ASN N N 43 115.488 115.152 0.336 1 1 409 . 3 1 1 A 38 38 GLU H H 44 7.793 7.362 0.431 1 1 410 . 3 1 1 A 38 38 GLU HA H 44 4.772 4.903 -0.131 1 1 413 . 3 1 1 A 38 38 GLU C C 44 175.262 174.510 0.752 1 1 414 . 3 1 1 A 38 38 GLU CA C 44 54.808 55.163 -0.355 1 1 415 . 3 1 1 A 38 38 GLU CB C 44 32.321 33.248 -0.927 1 1 416 . 3 1 1 A 38 38 GLU N N 44 118.734 120.893 -2.159 1 1 417 . 3 1 1 A 39 39 LYS H H 45 8.706 8.797 -0.091 1 1 418 . 3 1 1 A 39 39 LYS HA H 45 4.606 5.295 -0.689 1 1 427 . 3 1 1 A 39 39 LYS C C 45 174.312 174.820 -0.508 1 1 428 . 3 1 1 A 39 39 LYS CA C 45 52.782 54.535 -1.753 1 1 429 . 3 1 1 A 39 39 LYS CB C 45 35.174 36.228 -1.054 1 1 433 . 3 1 1 A 39 39 LYS N N 45 117.132 125.309 -8.177 1 1 434 . 3 1 1 A 40 40 LEU H H 46 9.085 8.790 0.295 1 1 435 . 3 1 1 A 40 40 LEU HA H 46 5.044 5.319 -0.275 1 1 442 . 3 1 1 A 40 40 LEU C C 46 173.778 174.503 -0.725 1 1 443 . 3 1 1 A 40 40 LEU CA C 46 52.590 52.780 -0.190 1 1 444 . 3 1 1 A 40 40 LEU CB C 46 44.855 46.485 -1.630 1 1 447 . 3 1 1 A 40 40 LEU N N 46 125.335 121.597 3.738 1 1 448 . 3 1 1 A 41 41 LYS H H 47 9.263 9.290 -0.027 1 1 449 . 3 1 1 A 41 41 LYS HA H 47 5.049 4.884 0.165 1 1 458 . 3 1 1 A 41 41 LYS C C 47 175.616 174.430 1.186 1 1 459 . 3 1 1 A 41 41 LYS CA C 47 53.864 54.734 -0.870 1 1 460 . 3 1 1 A 41 41 LYS CB C 47 32.986 34.382 -1.396 1 1 464 . 3 1 1 A 41 41 LYS N N 47 129.833 121.342 8.491 1 1 465 . 3 1 1 A 42 42 LEU H H 48 8.954 8.947 0.007 1 1 466 . 3 1 1 A 42 42 LEU HA H 48 5.458 5.077 0.381 1 1 476 . 3 1 1 A 42 42 LEU C C 48 175.565 175.064 0.501 1 1 477 . 3 1 1 A 42 42 LEU CA C 48 51.964 53.521 -1.557 1 1 478 . 3 1 1 A 42 42 LEU CB C 48 44.393 44.410 -0.017 1 1 482 . 3 1 1 A 42 42 LEU N N 48 126.292 129.103 -2.811 1 1 483 . 3 1 1 A 43 43 ALA H H 49 8.804 8.890 -0.086 1 1 484 . 3 1 1 A 43 43 ALA HA H 49 5.304 5.125 0.179 1 1 488 . 3 1 1 A 43 43 ALA C C 49 176.301 175.861 0.440 1 1 489 . 3 1 1 A 43 43 ALA CA C 49 51.004 51.448 -0.444 1 1 490 . 3 1 1 A 43 43 ALA CB C 49 23.453 23.538 -0.085 1 1 491 . 3 1 1 A 43 43 ALA N N 49 120.789 127.532 -6.743 1 1 492 . 3 1 1 A 44 44 ALA H H 50 8.117 8.526 -0.409 1 1 493 . 3 1 1 A 44 44 ALA HA H 50 4.485 4.595 -0.110 1 1 497 . 3 1 1 A 44 44 ALA C C 50 176.254 176.801 -0.547 1 1 498 . 3 1 1 A 44 44 ALA CA C 50 53.021 51.664 1.357 1 1 499 . 3 1 1 A 44 44 ALA CB C 50 23.682 22.344 1.338 1 1 500 . 3 1 1 A 44 44 ALA N N 50 120.678 119.971 0.707 1 1 501 . 3 1 1 A 45 45 GLN H H 51 9.035 9.393 -0.358 1 1 502 . 3 1 1 A 45 45 GLN HA H 51 3.774 3.939 -0.165 1 1 509 . 3 1 1 A 45 45 GLN C C 51 175.259 174.977 0.282 1 1 510 . 3 1 1 A 45 45 GLN CA C 51 56.074 56.708 -0.634 1 1 511 . 3 1 1 A 45 45 GLN CB C 51 27.339 27.450 -0.111 1 1 513 . 3 1 1 A 45 45 GLN N N 51 116.299 122.569 -6.270 1 1 515 . 3 1 1 A 46 46 GLY H H 52 8.441 8.525 -0.084 1 1 516 . 3 1 1 A 46 46 GLY HA2 H 52 4.066 3.801 0.265 1 1 517 . 3 1 1 A 46 46 GLY HA3 H 52 3.510 3.803 -0.293 1 1 518 . 3 1 1 A 46 46 GLY C C 52 173.050 173.685 -0.635 1 1 519 . 3 1 1 A 46 46 GLY CA C 52 44.998 45.330 -0.332 1 1 520 . 3 1 1 A 46 46 GLY N N 52 105.419 105.302 0.117 1 1 521 . 3 1 1 A 47 47 ALA H H 53 8.152 7.600 0.552 1 1 522 . 3 1 1 A 47 47 ALA HA H 53 4.767 4.899 -0.132 1 1 526 . 3 1 1 A 47 47 ALA C C 53 175.989 175.356 0.633 1 1 527 . 3 1 1 A 47 47 ALA CA C 53 49.918 51.037 -1.119 1 1 528 . 3 1 1 A 47 47 ALA CB C 53 22.720 23.254 -0.534 1 1 529 . 3 1 1 A 47 47 ALA N N 53 124.355 121.112 3.243 1 1 530 . 3 1 1 A 48 48 GLU H H 54 8.156 9.056 -0.900 1 1 531 . 3 1 1 A 48 48 GLU HA H 54 5.488 5.254 0.234 1 1 536 . 3 1 1 A 48 48 GLU C C 54 174.224 173.862 0.362 1 1 537 . 3 1 1 A 48 48 GLU CA C 54 54.346 54.904 -0.558 1 1 538 . 3 1 1 A 48 48 GLU CB C 54 34.305 33.681 0.624 1 1 540 . 3 1 1 A 48 48 GLU N N 54 116.655 116.343 0.312 1 1 541 . 3 1 1 A 49 49 LYS H H 55 8.852 9.091 -0.239 1 1 542 . 3 1 1 A 49 49 LYS HA H 55 4.190 5.030 -0.840 1 1 549 . 3 1 1 A 49 49 LYS C C 55 172.887 175.019 -2.132 1 1 550 . 3 1 1 A 49 49 LYS CA C 55 56.414 54.572 1.842 1 1 551 . 3 1 1 A 49 49 LYS CB C 55 34.723 35.924 -1.201 1 1 554 . 3 1 1 A 49 49 LYS N N 55 122.922 122.400 0.522 1 1 555 . 3 1 1 A 50 50 THR H H 56 7.910 8.633 -0.723 1 1 556 . 3 1 1 A 50 50 THR HA H 56 4.908 5.128 -0.220 1 1 561 . 3 1 1 A 50 50 THR C C 56 173.112 173.395 -0.283 1 1 562 . 3 1 1 A 50 50 THR CA C 56 61.998 59.789 2.209 1 1 563 . 3 1 1 A 50 50 THR CB C 56 68.596 70.805 -2.209 1 1 565 . 3 1 1 A 50 50 THR N N 56 120.811 114.781 6.030 1 1 566 . 3 1 1 A 51 51 TYR H H 57 9.432 8.913 0.519 1 1 567 . 3 1 1 A 51 51 TYR HA H 57 4.493 5.170 -0.677 1 1 574 . 3 1 1 A 51 51 TYR C C 57 174.156 174.929 -0.773 1 1 575 . 3 1 1 A 51 51 TYR CA C 57 57.375 55.922 1.453 1 1 576 . 3 1 1 A 51 51 TYR CB C 57 41.895 43.069 -1.174 1 1 577 . 3 1 1 A 51 51 TYR N N 57 127.372 120.488 6.884 1 1 578 . 3 1 1 A 52 52 GLY H H 58 9.154 8.195 0.959 1 1 579 . 3 1 1 A 52 52 GLY HA2 H 58 3.543 4.209 -0.666 1 1 580 . 3 1 1 A 52 52 GLY HA3 H 58 3.543 4.221 -0.678 1 1 581 . 3 1 1 A 52 52 GLY C C 58 172.527 173.676 -1.149 1 1 582 . 3 1 1 A 52 52 GLY CA C 58 42.304 45.755 -3.451 1 1 583 . 3 1 1 A 52 52 GLY N N 58 108.920 109.543 -0.623 1 1 584 . 3 1 1 A 53 53 ASN H H 59 8.877 8.856 0.021 1 1 585 . 3 1 1 A 53 53 ASN HA H 59 4.034 4.405 -0.371 1 1 588 . 3 1 1 A 53 53 ASN C C 59 176.319 174.840 1.479 1 1 589 . 3 1 1 A 53 53 ASN CA C 59 57.108 54.167 2.941 1 1 590 . 3 1 1 A 53 53 ASN CB C 59 39.672 37.795 1.877 1 1 591 . 3 1 1 A 53 53 ASN N N 59 117.281 122.610 -5.329 1 1 592 . 3 1 1 A 54 54 GLY H H 60 8.949 8.382 0.567 1 1 593 . 3 1 1 A 54 54 GLY HA2 H 60 4.222 4.042 0.180 1 1 594 . 3 1 1 A 54 54 GLY HA3 H 60 3.348 4.054 -0.706 1 1 595 . 3 1 1 A 54 54 GLY C C 60 174.096 174.075 0.021 1 1 596 . 3 1 1 A 54 54 GLY CA C 60 44.931 45.099 -0.168 1 1 597 . 3 1 1 A 54 54 GLY N N 60 114.860 104.820 10.040 1 1 598 . 3 1 1 A 55 55 ASP H H 61 7.991 7.819 0.172 1 1 599 . 3 1 1 A 55 55 ASP HA H 61 4.493 5.232 -0.739 1 1 602 . 3 1 1 A 55 55 ASP C C 61 174.727 174.863 -0.136 1 1 603 . 3 1 1 A 55 55 ASP CA C 61 54.408 52.522 1.886 1 1 604 . 3 1 1 A 55 55 ASP CB C 61 41.780 42.973 -1.193 1 1 605 . 3 1 1 A 55 55 ASP N N 61 121.974 119.087 2.887 1 1 606 . 3 1 1 A 56 56 SER H H 62 8.485 8.775 -0.290 1 1 607 . 3 1 1 A 56 56 SER HA H 62 4.959 5.359 -0.400 1 1 610 . 3 1 1 A 56 56 SER C C 62 173.099 172.322 0.777 1 1 611 . 3 1 1 A 56 56 SER CA C 62 57.154 56.347 0.807 1 1 612 . 3 1 1 A 56 56 SER CB C 62 64.522 65.822 -1.300 1 1 613 . 3 1 1 A 56 56 SER N N 62 113.088 115.750 -2.662 1 1 614 . 3 1 1 A 57 57 LEU H H 63 9.004 9.146 -0.142 1 1 615 . 3 1 1 A 57 57 LEU HA H 63 4.500 4.951 -0.451 1 1 625 . 3 1 1 A 57 57 LEU C C 63 175.943 175.744 0.199 1 1 626 . 3 1 1 A 57 57 LEU CA C 63 53.070 54.106 -1.036 1 1 627 . 3 1 1 A 57 57 LEU CB C 63 43.800 43.491 0.309 1 1 630 . 3 1 1 A 57 57 LEU N N 63 126.423 125.966 0.457 1 1 631 . 3 1 1 A 58 58 ASN H H 64 8.484 8.730 -0.246 1 1 632 . 3 1 1 A 58 58 ASN HA H 64 4.752 4.841 -0.089 1 1 635 . 3 1 1 A 58 58 ASN C C 64 173.916 175.026 -1.110 1 1 636 . 3 1 1 A 58 58 ASN CA C 64 50.587 53.561 -2.974 1 1 637 . 3 1 1 A 58 58 ASN CB C 64 35.153 38.943 -3.790 1 1 638 . 3 1 1 A 58 58 ASN N N 64 125.624 125.554 0.070 1 1 639 . 3 1 1 A 59 59 THR H H 65 7.747 8.579 -0.832 1 1 640 . 3 1 1 A 59 59 THR HA H 65 4.770 4.638 0.132 1 1 645 . 3 1 1 A 59 59 THR C C 65 177.245 173.369 3.876 1 1 646 . 3 1 1 A 59 59 THR CA C 65 63.213 61.247 1.966 1 1 647 . 3 1 1 A 59 59 THR CB C 65 63.510 69.521 -6.011 1 1 649 . 3 1 1 A 59 59 THR N N 65 113.770 118.310 -4.540 1 1 650 . 3 1 1 A 60 60 GLY H H 66 8.869 8.365 0.504 1 1 651 . 3 1 1 A 60 60 GLY HA2 H 66 3.839 3.821 0.018 1 1 652 . 3 1 1 A 60 60 GLY HA3 H 66 3.724 3.821 -0.097 1 1 653 . 3 1 1 A 60 60 GLY C C 66 173.279 175.031 -1.752 1 1 654 . 3 1 1 A 60 60 GLY CA C 66 44.892 46.885 -1.993 1 1 655 . 3 1 1 A 60 60 GLY N N 66 114.430 113.423 1.007 1 1 656 . 3 1 1 A 61 61 LYS H H 67 6.376 9.007 -2.631 1 1 657 . 3 1 1 A 61 61 LYS HA H 67 4.021 3.885 0.136 1 1 666 . 3 1 1 A 61 61 LYS C C 67 176.315 176.241 0.074 1 1 667 . 3 1 1 A 61 61 LYS CA C 67 54.298 58.579 -4.281 1 1 668 . 3 1 1 A 61 61 LYS CB C 67 32.200 31.522 0.678 1 1 672 . 3 1 1 A 61 61 LYS N N 67 112.620 123.546 -10.926 1 1 673 . 3 1 1 A 62 62 LEU H H 68 7.335 8.287 -0.952 1 1 674 . 3 1 1 A 62 62 LEU HA H 68 4.275 3.967 0.308 1 1 684 . 3 1 1 A 62 62 LEU C C 68 176.306 175.265 1.041 1 1 685 . 3 1 1 A 62 62 LEU CA C 68 52.479 57.198 -4.719 1 1 686 . 3 1 1 A 62 62 LEU CB C 68 40.600 40.700 -0.100 1 1 689 . 3 1 1 A 62 62 LEU N N 68 116.704 119.072 -2.368 1 1 690 . 3 1 1 A 63 63 LYS H H 69 8.506 8.536 -0.030 1 1 691 . 3 1 1 A 63 63 LYS HA H 69 3.992 4.732 -0.740 1 1 700 . 3 1 1 A 63 63 LYS C C 69 175.886 175.157 0.729 1 1 701 . 3 1 1 A 63 63 LYS CA C 69 54.986 55.165 -0.179 1 1 702 . 3 1 1 A 63 63 LYS CB C 69 32.447 36.651 -4.204 1 1 706 . 3 1 1 A 63 63 LYS N N 69 119.841 119.284 0.557 1 1 707 . 3 1 1 A 64 64 ASN H H 70 8.080 8.590 -0.510 1 1 708 . 3 1 1 A 64 64 ASN HA H 70 3.839 5.006 -1.167 1 1 713 . 3 1 1 A 64 64 ASN C C 70 174.449 174.384 0.065 1 1 714 . 3 1 1 A 64 64 ASN CA C 70 54.417 51.081 3.336 1 1 715 . 3 1 1 A 64 64 ASN CB C 70 38.129 39.357 -1.228 1 1 716 . 3 1 1 A 64 64 ASN N N 70 121.515 121.018 0.497 1 1 718 . 3 1 1 A 65 65 ASP H H 71 9.218 8.786 0.432 1 1 719 . 3 1 1 A 65 65 ASP HA H 71 3.690 4.235 -0.545 1 1 722 . 3 1 1 A 65 65 ASP C C 71 173.016 174.917 -1.901 1 1 723 . 3 1 1 A 65 65 ASP CA C 71 54.726 55.250 -0.524 1 1 724 . 3 1 1 A 65 65 ASP CB C 71 38.534 39.773 -1.239 1 1 725 . 3 1 1 A 65 65 ASP N N 71 113.370 116.985 -3.615 1 1 726 . 3 1 1 A 66 66 LYS H H 72 6.443 7.823 -1.380 1 1 727 . 3 1 1 A 66 66 LYS HA H 72 4.411 4.893 -0.482 1 1 734 . 3 1 1 A 66 66 LYS C C 72 174.745 174.642 0.103 1 1 735 . 3 1 1 A 66 66 LYS CA C 72 53.094 54.473 -1.379 1 1 736 . 3 1 1 A 66 66 LYS CB C 72 36.099 35.958 0.141 1 1 739 . 3 1 1 A 66 66 LYS N N 72 113.415 113.993 -0.578 1 1 740 . 3 1 1 A 67 67 VAL H H 73 8.679 8.477 0.202 1 1 741 . 3 1 1 A 67 67 VAL HA H 73 4.189 4.420 -0.231 1 1 749 . 3 1 1 A 67 67 VAL C C 73 176.630 175.019 1.611 1 1 750 . 3 1 1 A 67 67 VAL CA C 73 62.135 60.627 1.508 1 1 751 . 3 1 1 A 67 67 VAL CB C 73 32.001 33.173 -1.172 1 1 753 . 3 1 1 A 67 67 VAL N N 73 122.098 122.897 -0.799 1 1 754 . 3 1 1 A 68 68 SER H H 74 9.497 9.004 0.493 1 1 755 . 3 1 1 A 68 68 SER HA H 74 4.507 4.587 -0.080 1 1 758 . 3 1 1 A 68 68 SER C C 74 172.249 173.983 -1.734 1 1 759 . 3 1 1 A 68 68 SER CA C 74 58.323 58.341 -0.018 1 1 760 . 3 1 1 A 68 68 SER CB C 74 64.028 63.924 0.104 1 1 761 . 3 1 1 A 68 68 SER N N 74 127.048 122.971 4.077 1 1 762 . 3 1 1 A 69 69 ARG H H 75 7.848 8.674 -0.826 1 1 763 . 3 1 1 A 69 69 ARG HA H 75 5.031 4.992 0.039 1 1 770 . 3 1 1 A 69 69 ARG C C 75 173.300 175.067 -1.767 1 1 771 . 3 1 1 A 69 69 ARG CA C 75 55.337 54.942 0.395 1 1 772 . 3 1 1 A 69 69 ARG CB C 75 31.871 31.762 0.109 1 1 775 . 3 1 1 A 69 69 ARG N N 75 122.621 121.388 1.233 1 1 776 . 3 1 1 A 70 70 PHE H H 76 9.246 8.847 0.399 1 1 777 . 3 1 1 A 70 70 PHE HA H 76 4.808 5.054 -0.246 1 1 784 . 3 1 1 A 70 70 PHE C C 76 175.788 174.104 1.684 1 1 785 . 3 1 1 A 70 70 PHE CA C 76 55.245 56.739 -1.494 1 1 786 . 3 1 1 A 70 70 PHE CB C 76 43.645 43.830 -0.185 1 1 787 . 3 1 1 A 70 70 PHE N N 76 118.087 121.240 -3.153 1 1 788 . 3 1 1 A 71 71 ASP H H 77 9.144 9.022 0.122 1 1 789 . 3 1 1 A 71 71 ASP HA H 77 5.360 5.762 -0.402 1 1 792 . 3 1 1 A 71 71 ASP C C 77 176.477 174.955 1.522 1 1 793 . 3 1 1 A 71 71 ASP CA C 77 55.131 52.651 2.480 1 1 794 . 3 1 1 A 71 71 ASP CB C 77 41.301 44.589 -3.288 1 1 795 . 3 1 1 A 71 71 ASP N N 77 123.565 122.941 0.624 1 1 796 . 3 1 1 A 72 72 PHE H H 78 9.094 8.399 0.695 1 1 797 . 3 1 1 A 72 72 PHE HA H 78 6.431 5.512 0.919 1 1 805 . 3 1 1 A 72 72 PHE C C 78 174.014 172.734 1.280 1 1 806 . 3 1 1 A 72 72 PHE CA C 78 54.934 56.204 -1.270 1 1 807 . 3 1 1 A 72 72 PHE CB C 78 42.491 42.336 0.155 1 1 808 . 3 1 1 A 72 72 PHE N N 78 119.663 119.394 0.269 1 1 809 . 3 1 1 A 73 73 ILE H H 79 8.623 8.766 -0.143 1 1 810 . 3 1 1 A 73 73 ILE HA H 79 4.334 4.848 -0.514 1 1 820 . 3 1 1 A 73 73 ILE C C 79 173.961 175.401 -1.440 1 1 821 . 3 1 1 A 73 73 ILE CA C 79 61.222 59.794 1.428 1 1 822 . 3 1 1 A 73 73 ILE CB C 79 41.918 41.973 -0.055 1 1 826 . 3 1 1 A 73 73 ILE N N 79 119.750 120.421 -0.671 1 1 827 . 3 1 1 A 74 74 ARG H H 80 9.052 8.720 0.332 1 1 828 . 3 1 1 A 74 74 ARG HA H 80 5.311 4.706 0.605 1 1 835 . 3 1 1 A 74 74 ARG C C 80 174.870 175.617 -0.747 1 1 836 . 3 1 1 A 74 74 ARG CA C 80 54.449 56.458 -2.009 1 1 837 . 3 1 1 A 74 74 ARG CB C 80 33.740 32.026 1.714 1 1 840 . 3 1 1 A 74 74 ARG N N 80 128.407 126.759 1.648 1 1 841 . 3 1 1 A 75 75 GLN H H 81 9.304 8.674 0.630 1 1 842 . 3 1 1 A 75 75 GLN HA H 81 5.562 5.009 0.553 1 1 849 . 3 1 1 A 75 75 GLN C C 81 173.678 173.917 -0.239 1 1 850 . 3 1 1 A 75 75 GLN CA C 81 53.745 55.591 -1.846 1 1 851 . 3 1 1 A 75 75 GLN CB C 81 34.013 32.589 1.424 1 1 853 . 3 1 1 A 75 75 GLN N N 81 125.481 120.859 4.622 1 1 855 . 3 1 1 A 76 76 ILE H H 82 8.592 8.239 0.353 1 1 856 . 3 1 1 A 76 76 ILE HA H 82 4.576 4.879 -0.303 1 1 866 . 3 1 1 A 76 76 ILE C C 82 172.511 172.923 -0.412 1 1 867 . 3 1 1 A 76 76 ILE CA C 82 59.622 59.052 0.570 1 1 868 . 3 1 1 A 76 76 ILE CB C 82 42.248 41.949 0.299 1 1 872 . 3 1 1 A 76 76 ILE N N 82 115.536 125.168 -9.632 1 1 873 . 3 1 1 A 77 77 GLU H H 83 8.433 8.624 -0.191 1 1 874 . 3 1 1 A 77 77 GLU HA H 83 4.936 4.994 -0.058 1 1 879 . 3 1 1 A 77 77 GLU C C 83 175.614 175.230 0.384 1 1 880 . 3 1 1 A 77 77 GLU CA C 83 54.812 55.675 -0.863 1 1 881 . 3 1 1 A 77 77 GLU CB C 83 30.465 31.547 -1.082 1 1 883 . 3 1 1 A 77 77 GLU N N 83 124.858 127.503 -2.645 1 1 884 . 3 1 1 A 78 78 VAL H H 84 8.879 8.989 -0.110 1 1 885 . 3 1 1 A 78 78 VAL HA H 84 4.076 4.470 -0.394 1 1 893 . 3 1 1 A 78 78 VAL C C 84 175.694 175.729 -0.035 1 1 894 . 3 1 1 A 78 78 VAL CA C 84 61.382 61.174 0.208 1 1 895 . 3 1 1 A 78 78 VAL CB C 84 34.014 34.067 -0.053 1 1 897 . 3 1 1 A 78 78 VAL N N 84 126.973 125.585 1.388 1 1 898 . 3 1 1 A 79 79 ASP H H 85 9.329 9.519 -0.190 1 1 899 . 3 1 1 A 79 79 ASP HA H 85 4.156 4.339 -0.183 1 1 902 . 3 1 1 A 79 79 ASP C C 85 175.774 176.231 -0.457 1 1 903 . 3 1 1 A 79 79 ASP CA C 85 55.125 55.416 -0.291 1 1 904 . 3 1 1 A 79 79 ASP CB C 85 38.926 39.327 -0.401 1 1 905 . 3 1 1 A 79 79 ASP N N 85 129.387 129.907 -0.520 1 1 906 . 3 1 1 A 80 80 GLY H H 86 8.575 8.589 -0.014 1 1 907 . 3 1 1 A 80 80 GLY HA2 H 86 3.992 3.836 0.156 1 1 908 . 3 1 1 A 80 80 GLY HA3 H 86 3.507 3.836 -0.329 1 1 909 . 3 1 1 A 80 80 GLY C C 86 173.366 173.755 -0.389 1 1 910 . 3 1 1 A 80 80 GLY CA C 86 44.759 45.423 -0.664 1 1 911 . 3 1 1 A 80 80 GLY N N 86 103.293 104.911 -1.618 1 1 912 . 3 1 1 A 81 81 GLN H H 87 7.751 8.187 -0.436 1 1 913 . 3 1 1 A 81 81 GLN HA H 87 4.482 4.776 -0.294 1 1 918 . 3 1 1 A 81 81 GLN C C 87 173.874 174.711 -0.837 1 1 919 . 3 1 1 A 81 81 GLN CA C 87 53.328 54.241 -0.913 1 1 920 . 3 1 1 A 81 81 GLN CB C 87 30.670 31.491 -0.821 1 1 922 . 3 1 1 A 81 81 GLN N N 87 119.688 118.959 0.729 1 1 923 . 3 1 1 A 82 82 LEU H H 88 8.418 8.990 -0.572 1 1 924 . 3 1 1 A 82 82 LEU HA H 88 4.630 4.980 -0.350 1 1 934 . 3 1 1 A 82 82 LEU C C 88 176.289 175.691 0.598 1 1 935 . 3 1 1 A 82 82 LEU CA C 88 53.834 53.456 0.378 1 1 936 . 3 1 1 A 82 82 LEU CB C 88 41.737 43.205 -1.468 1 1 940 . 3 1 1 A 82 82 LEU N N 88 123.523 123.175 0.348 1 1 941 . 3 1 1 A 83 83 ILE H H 89 9.146 8.611 0.535 1 1 942 . 3 1 1 A 83 83 ILE HA H 89 4.249 5.013 -0.764 1 1 952 . 3 1 1 A 83 83 ILE C C 89 175.698 175.150 0.548 1 1 953 . 3 1 1 A 83 83 ILE CA C 89 59.363 59.903 -0.540 1 1 954 . 3 1 1 A 83 83 ILE CB C 89 39.633 40.596 -0.963 1 1 958 . 3 1 1 A 83 83 ILE N N 89 127.151 125.245 1.906 1 1 959 . 3 1 1 A 84 84 THR H H 90 8.656 8.744 -0.088 1 1 960 . 3 1 1 A 84 84 THR HA H 90 4.203 4.684 -0.481 1 1 965 . 3 1 1 A 84 84 THR C C 90 172.890 172.989 -0.099 1 1 966 . 3 1 1 A 84 84 THR CA C 90 62.641 61.488 1.153 1 1 967 . 3 1 1 A 84 84 THR CB C 90 68.634 69.096 -0.462 1 1 969 . 3 1 1 A 84 84 THR N N 90 123.099 121.344 1.755 1 1 970 . 3 1 1 A 85 85 LEU H H 91 8.967 8.430 0.537 1 1 971 . 3 1 1 A 85 85 LEU HA H 91 4.256 4.509 -0.253 1 1 980 . 3 1 1 A 85 85 LEU C C 91 177.371 175.632 1.739 1 1 981 . 3 1 1 A 85 85 LEU CA C 91 55.527 54.191 1.336 1 1 982 . 3 1 1 A 85 85 LEU CB C 91 44.315 43.270 1.045 1 1 984 . 3 1 1 A 85 85 LEU N N 91 125.333 128.726 -3.393 1 1 985 . 3 1 1 A 86 86 GLU H H 92 7.503 7.867 -0.364 1 1 986 . 3 1 1 A 86 86 GLU HA H 92 5.026 4.972 0.054 1 1 991 . 3 1 1 A 86 86 GLU C C 92 172.723 175.547 -2.824 1 1 992 . 3 1 1 A 86 86 GLU CA C 92 54.670 54.839 -0.169 1 1 993 . 3 1 1 A 86 86 GLU CB C 92 33.717 31.470 2.247 1 1 995 . 3 1 1 A 86 86 GLU N N 92 116.655 120.676 -4.021 1 1 996 . 3 1 1 A 87 87 SER H H 93 8.954 8.749 0.205 1 1 997 . 3 1 1 A 87 87 SER HA H 93 4.245 4.726 -0.481 1 1 1000 . 3 1 1 A 87 87 SER C C 93 172.763 172.765 -0.002 1 1 1001 . 3 1 1 A 87 87 SER CA C 93 57.328 56.666 0.662 1 1 1002 . 3 1 1 A 87 87 SER CB C 93 65.493 65.829 -0.336 1 1 1003 . 3 1 1 A 87 87 SER N N 93 117.941 117.670 0.271 1 1 1004 . 3 1 1 A 88 88 GLY H H 94 6.932 7.096 -0.164 1 1 1005 . 3 1 1 A 88 88 GLY HA2 H 94 3.694 4.132 -0.438 1 1 1006 . 3 1 1 A 88 88 GLY HA3 H 94 3.694 4.191 -0.497 1 1 1007 . 3 1 1 A 88 88 GLY C C 94 171.117 171.561 -0.444 1 1 1008 . 3 1 1 A 88 88 GLY CA C 94 46.575 45.873 0.702 1 1 1009 . 3 1 1 A 88 88 GLY N N 94 108.625 106.657 1.968 1 1 1010 . 3 1 1 A 89 89 GLU H H 95 9.669 8.845 0.824 1 1 1011 . 3 1 1 A 89 89 GLU HA H 95 5.642 4.929 0.713 1 1 1016 . 3 1 1 A 89 89 GLU C C 95 173.226 175.570 -2.344 1 1 1017 . 3 1 1 A 89 89 GLU CA C 95 54.786 55.415 -0.629 1 1 1018 . 3 1 1 A 89 89 GLU CB C 95 34.334 30.518 3.816 1 1 1020 . 3 1 1 A 89 89 GLU N N 95 128.231 121.094 7.137 1 1 1021 . 3 1 1 A 90 90 PHE H H 96 10.365 9.409 0.956 1 1 1022 . 3 1 1 A 90 90 PHE HA H 96 5.048 4.437 0.611 1 1 1029 . 3 1 1 A 90 90 PHE C C 96 173.039 174.009 -0.970 1 1 1030 . 3 1 1 A 90 90 PHE CA C 96 54.616 56.823 -2.207 1 1 1031 . 3 1 1 A 90 90 PHE CB C 96 42.090 39.154 2.936 1 1 1032 . 3 1 1 A 90 90 PHE N N 96 131.583 129.454 2.129 1 1 1033 . 3 1 1 A 91 91 GLN H H 97 8.685 8.652 0.033 1 1 1034 . 3 1 1 A 91 91 GLN HA H 97 4.959 4.612 0.347 1 1 1041 . 3 1 1 A 91 91 GLN C C 97 174.151 174.828 -0.677 1 1 1042 . 3 1 1 A 91 91 GLN CA C 97 53.174 55.663 -2.489 1 1 1043 . 3 1 1 A 91 91 GLN CB C 97 28.812 29.836 -1.024 1 1 1045 . 3 1 1 A 91 91 GLN N N 97 126.465 126.368 0.097 1 1 1047 . 3 1 1 A 92 92 VAL H H 98 8.675 8.430 0.245 1 1 1048 . 3 1 1 A 92 92 VAL HA H 98 4.569 4.370 0.199 1 1 1056 . 3 1 1 A 92 92 VAL C C 98 173.802 174.590 -0.788 1 1 1057 . 3 1 1 A 92 92 VAL CA C 98 59.715 61.531 -1.816 1 1 1058 . 3 1 1 A 92 92 VAL CB C 98 35.074 33.471 1.603 1 1 1061 . 3 1 1 A 92 92 VAL N N 98 118.841 124.330 -5.489 1 1 1062 . 3 1 1 A 93 93 TYR H H 99 8.896 9.214 -0.318 1 1 1063 . 3 1 1 A 93 93 TYR HA H 99 4.940 4.697 0.243 1 1 1070 . 3 1 1 A 93 93 TYR C C 99 173.330 174.720 -1.390 1 1 1071 . 3 1 1 A 93 93 TYR CA C 99 56.948 58.497 -1.549 1 1 1072 . 3 1 1 A 93 93 TYR CB C 99 40.780 39.642 1.138 1 1 1073 . 3 1 1 A 93 93 TYR N N 99 127.563 128.759 -1.196 1 1 1074 . 3 1 1 A 94 94 LYS H H 100 5.813 9.268 -3.455 1 1 1075 . 3 1 1 A 94 94 LYS HA H 100 4.248 4.954 -0.706 1 1 1082 . 3 1 1 A 94 94 LYS CA C 100 55.660 54.846 0.814 1 1 1083 . 3 1 1 A 94 94 LYS CB C 100 35.870 35.445 0.425 1 1 1084 . 3 1 1 A 94 94 LYS N N 100 128.378 124.972 3.406 1 1 1085 . 3 1 1 A 95 95 GLN H H 101 8.438 8.363 0.075 1 1 1086 . 3 1 1 A 95 95 GLN HA H 101 5.028 4.571 0.457 1 1 1091 . 3 1 1 A 95 95 GLN C C 101 174.080 176.575 -2.495 1 1 1092 . 3 1 1 A 95 95 GLN CA C 101 54.043 54.301 -0.258 1 1 1093 . 3 1 1 A 95 95 GLN CB C 101 27.209 31.143 -3.934 1 1 1095 . 3 1 1 A 95 95 GLN N N 101 125.809 126.751 -0.942 1 1 1096 . 3 1 1 A 96 96 SER H H 102 9.057 8.688 0.369 1 1 1097 . 3 1 1 A 96 96 SER HA H 102 3.041 4.040 -0.999 1 1 1100 . 3 1 1 A 96 96 SER CA C 102 62.985 61.871 1.114 1 1 1101 . 3 1 1 A 96 96 SER CB C 102 63.242 63.022 0.220 1 1 1102 . 3 1 1 A 96 96 SER N N 102 117.650 117.329 0.321 1 1 1103 . 3 1 1 A 97 97 HIS H H 103 10.115 8.296 1.819 1 1 1104 . 3 1 1 A 97 97 HIS HA H 103 4.406 4.613 -0.207 1 1 1109 . 3 1 1 A 97 97 HIS CA C 103 53.809 57.046 -3.237 1 1 1110 . 3 1 1 A 97 97 HIS CB C 103 30.329 31.721 -1.392 1 1 1111 . 3 1 1 A 97 97 HIS N N 103 118.385 115.583 2.802 1 1 1112 . 3 1 1 A 98 98 SER H H 104 7.241 8.052 -0.811 1 1 1113 . 3 1 1 A 98 98 SER HA H 104 4.406 4.141 0.265 1 1 1116 . 3 1 1 A 98 98 SER CA C 104 56.712 57.734 -1.022 1 1 1117 . 3 1 1 A 98 98 SER CB C 104 65.461 64.808 0.653 1 1 1118 . 3 1 1 A 98 98 SER N N 104 112.298 111.909 0.389 1 1 1119 . 3 1 1 A 99 99 ALA H H 105 8.418 8.214 0.204 1 1 1120 . 3 1 1 A 99 99 ALA HA H 105 4.753 5.134 -0.381 1 1 1124 . 3 1 1 A 99 99 ALA C C 105 173.181 175.969 -2.788 1 1 1125 . 3 1 1 A 99 99 ALA CA C 105 51.363 51.703 -0.340 1 1 1126 . 3 1 1 A 99 99 ALA CB C 105 22.271 23.556 -1.285 1 1 1127 . 3 1 1 A 99 99 ALA N N 105 116.790 121.285 -4.495 1 1 1128 . 3 1 1 A 100 100 LEU H H 106 8.376 8.434 -0.058 1 1 1129 . 3 1 1 A 100 100 LEU HA H 106 5.549 5.463 0.086 1 1 1139 . 3 1 1 A 100 100 LEU C C 106 175.338 174.902 0.436 1 1 1140 . 3 1 1 A 100 100 LEU CA C 106 53.753 53.164 0.589 1 1 1141 . 3 1 1 A 100 100 LEU CB C 106 46.393 46.451 -0.058 1 1 1145 . 3 1 1 A 100 100 LEU N N 106 115.214 117.140 -1.926 1 1 1146 . 3 1 1 A 101 101 THR H H 107 8.685 8.892 -0.207 1 1 1147 . 3 1 1 A 101 101 THR HA H 107 5.287 4.918 0.369 1 1 1152 . 3 1 1 A 101 101 THR C C 107 172.493 173.155 -0.662 1 1 1153 . 3 1 1 A 101 101 THR CA C 107 57.069 59.926 -2.857 1 1 1154 . 3 1 1 A 101 101 THR CB C 107 71.308 70.966 0.342 1 1 1156 . 3 1 1 A 101 101 THR N N 107 109.441 117.384 -7.943 1 1 1157 . 3 1 1 A 102 102 ALA H H 108 8.459 8.232 0.227 1 1 1158 . 3 1 1 A 102 102 ALA HA H 108 4.366 4.985 -0.619 1 1 1162 . 3 1 1 A 102 102 ALA C C 108 173.439 175.929 -2.490 1 1 1163 . 3 1 1 A 102 102 ALA CA C 108 51.015 50.799 0.216 1 1 1164 . 3 1 1 A 102 102 ALA CB C 108 23.424 23.425 -0.001 1 1 1165 . 3 1 1 A 102 102 ALA N N 108 120.716 127.020 -6.304 1 1 1166 . 3 1 1 A 103 103 PHE H H 109 8.510 8.603 -0.093 1 1 1167 . 3 1 1 A 103 103 PHE HA H 109 4.715 5.142 -0.427 1 1 1175 . 3 1 1 A 103 103 PHE C C 109 174.173 174.912 -0.739 1 1 1176 . 3 1 1 A 103 103 PHE CA C 109 56.640 56.480 0.160 1 1 1177 . 3 1 1 A 103 103 PHE CB C 109 41.926 41.185 0.741 1 1 1178 . 3 1 1 A 103 103 PHE N N 109 115.041 119.169 -4.128 1 1 1179 . 3 1 1 A 104 104 GLN H H 110 9.832 8.986 0.846 1 1 1180 . 3 1 1 A 104 104 GLN HA H 110 5.226 5.037 0.189 1 1 1187 . 3 1 1 A 104 104 GLN C C 110 175.186 174.142 1.044 1 1 1188 . 3 1 1 A 104 104 GLN CA C 110 53.213 55.567 -2.354 1 1 1189 . 3 1 1 A 104 104 GLN CB C 110 29.161 30.515 -1.354 1 1 1191 . 3 1 1 A 104 104 GLN N N 110 124.526 122.373 2.153 1 1 1193 . 3 1 1 A 105 105 THR H H 111 9.566 8.671 0.895 1 1 1194 . 3 1 1 A 105 105 THR HA H 111 4.186 5.247 -1.061 1 1 1199 . 3 1 1 A 105 105 THR C C 111 174.538 173.224 1.314 1 1 1200 . 3 1 1 A 105 105 THR CA C 111 66.408 60.079 6.329 1 1 1201 . 3 1 1 A 105 105 THR CB C 111 69.385 71.432 -2.047 1 1 1203 . 3 1 1 A 105 105 THR N N 111 126.760 121.082 5.678 1 1 1204 . 3 1 1 A 106 106 GLU H H 112 9.303 9.197 0.106 1 1 1205 . 3 1 1 A 106 106 GLU HA H 112 4.811 4.793 0.018 1 1 1210 . 3 1 1 A 106 106 GLU C C 112 177.397 176.117 1.280 1 1 1211 . 3 1 1 A 106 106 GLU CA C 112 56.227 56.572 -0.345 1 1 1212 . 3 1 1 A 106 106 GLU CB C 112 31.283 32.344 -1.061 1 1 1214 . 3 1 1 A 106 106 GLU N N 112 121.685 123.748 -2.063 1 1 1215 . 3 1 1 A 107 107 GLN H H 113 7.954 7.961 -0.007 1 1 1216 . 3 1 1 A 107 107 GLN HA H 113 5.233 5.087 0.146 1 1 1221 . 3 1 1 A 107 107 GLN C C 113 173.999 174.041 -0.042 1 1 1222 . 3 1 1 A 107 107 GLN CA C 113 53.837 54.557 -0.720 1 1 1223 . 3 1 1 A 107 107 GLN CB C 113 32.543 32.115 0.428 1 1 1225 . 3 1 1 A 107 107 GLN N N 113 117.612 115.509 2.103 1 1 1226 . 3 1 1 A 108 108 ILE H H 114 8.969 8.724 0.245 1 1 1227 . 3 1 1 A 108 108 ILE HA H 114 4.907 4.741 0.166 1 1 1237 . 3 1 1 A 108 108 ILE C C 114 174.089 174.402 -0.313 1 1 1238 . 3 1 1 A 108 108 ILE CA C 114 58.954 58.923 0.031 1 1 1239 . 3 1 1 A 108 108 ILE CB C 114 42.799 41.712 1.087 1 1 1243 . 3 1 1 A 108 108 ILE N N 114 115.049 120.129 -5.080 1 1 1244 . 3 1 1 A 109 109 GLN H H 115 7.421 8.440 -1.019 1 1 1245 . 3 1 1 A 109 109 GLN HA H 115 4.405 4.419 -0.014 1 1 1252 . 3 1 1 A 109 109 GLN C C 115 175.654 174.478 1.176 1 1 1253 . 3 1 1 A 109 109 GLN CA C 115 56.086 55.980 0.106 1 1 1254 . 3 1 1 A 109 109 GLN CB C 115 28.483 29.334 -0.851 1 1 1256 . 3 1 1 A 109 109 GLN N N 115 121.959 123.410 -1.451 1 1 1258 . 3 1 1 A 110 110 ASP H H 116 8.569 8.776 -0.207 1 1 1259 . 3 1 1 A 110 110 ASP HA H 116 4.377 4.905 -0.528 1 1 1262 . 3 1 1 A 110 110 ASP C C 116 176.662 176.293 0.369 1 1 1263 . 3 1 1 A 110 110 ASP CA C 116 53.511 53.016 0.495 1 1 1264 . 3 1 1 A 110 110 ASP CB C 116 41.187 42.433 -1.246 1 1 1265 . 3 1 1 A 110 110 ASP N N 116 125.621 125.338 0.283 1 1 1266 . 3 1 1 A 111 111 SER H H 117 8.445 8.641 -0.196 1 1 1267 . 3 1 1 A 111 111 SER HA H 117 4.024 4.641 -0.617 1 1 1270 . 3 1 1 A 111 111 SER C C 117 174.783 174.743 0.040 1 1 1271 . 3 1 1 A 111 111 SER CA C 117 60.782 58.808 1.974 1 1 1272 . 3 1 1 A 111 111 SER CB C 117 62.560 64.133 -1.573 1 1 1273 . 3 1 1 A 111 111 SER N N 117 120.732 121.670 -0.938 1 1 1274 . 3 1 1 A 112 112 GLU H H 118 8.246 8.334 -0.088 1 1 1275 . 3 1 1 A 112 112 GLU HA H 118 4.044 4.275 -0.231 1 1 1280 . 3 1 1 A 112 112 GLU C C 118 175.899 176.708 -0.809 1 1 1281 . 3 1 1 A 112 112 GLU CA C 118 56.016 57.807 -1.791 1 1 1282 . 3 1 1 A 112 112 GLU CB C 118 29.853 30.462 -0.609 1 1 1284 . 3 1 1 A 112 112 GLU N N 118 119.367 119.798 -0.431 1 1 1285 . 3 1 1 A 113 113 HIS H H 119 7.418 7.877 -0.459 1 1 1286 . 3 1 1 A 113 113 HIS HA H 119 4.607 4.769 -0.162 1 1 1291 . 3 1 1 A 113 113 HIS C C 119 173.527 174.735 -1.208 1 1 1292 . 3 1 1 A 113 113 HIS CA C 119 54.515 54.904 -0.389 1 1 1293 . 3 1 1 A 113 113 HIS CB C 119 28.667 30.018 -1.351 1 1 1294 . 3 1 1 A 113 113 HIS N N 119 117.287 119.618 -2.331 1 1 1295 . 3 1 1 A 114 114 SER H H 120 8.398 8.306 0.092 1 1 1296 . 3 1 1 A 114 114 SER HA H 120 4.183 4.006 0.177 1 1 1299 . 3 1 1 A 114 114 SER C C 120 175.690 173.631 2.059 1 1 1300 . 3 1 1 A 114 114 SER CA C 120 59.149 59.276 -0.127 1 1 1301 . 3 1 1 A 114 114 SER CB C 120 62.820 62.310 0.510 1 1 1302 . 3 1 1 A 114 114 SER N N 120 116.771 115.684 1.087 1 1 1303 . 3 1 1 A 115 115 GLY H H 121 8.733 8.516 0.217 1 1 1304 . 3 1 1 A 115 115 GLY HA2 H 121 4.052 4.090 -0.038 1 1 1305 . 3 1 1 A 115 115 GLY HA3 H 121 3.724 4.099 -0.375 1 1 1306 . 3 1 1 A 115 115 GLY C C 121 173.540 175.146 -1.606 1 1 1307 . 3 1 1 A 115 115 GLY CA C 121 44.692 45.093 -0.401 1 1 1308 . 3 1 1 A 115 115 GLY N N 121 112.197 107.276 4.921 1 1 1309 . 3 1 1 A 116 116 LYS H H 122 7.796 7.848 -0.052 1 1 1310 . 3 1 1 A 116 116 LYS HA H 122 4.465 4.359 0.106 1 1 1317 . 3 1 1 A 116 116 LYS C C 122 175.090 175.299 -0.209 1 1 1318 . 3 1 1 A 116 116 LYS CA C 122 55.122 56.120 -0.998 1 1 1319 . 3 1 1 A 116 116 LYS CB C 122 33.861 34.103 -0.242 1 1 1322 . 3 1 1 A 116 116 LYS N N 122 120.212 120.692 -0.480 1 1 1323 . 3 1 1 A 117 117 MET H H 123 8.348 8.580 -0.232 1 1 1324 . 3 1 1 A 117 117 MET HA H 123 5.082 5.061 0.021 1 1 1332 . 3 1 1 A 117 117 MET C C 123 176.210 174.542 1.668 1 1 1333 . 3 1 1 A 117 117 MET CA C 123 52.928 53.703 -0.775 1 1 1334 . 3 1 1 A 117 117 MET CB C 123 33.841 35.819 -1.978 1 1 1337 . 3 1 1 A 117 117 MET N N 123 119.755 116.900 2.855 1 1 1338 . 3 1 1 A 118 118 VAL H H 124 9.242 8.831 0.411 1 1 1339 . 3 1 1 A 118 118 VAL HA H 124 4.469 4.985 -0.516 1 1 1347 . 3 1 1 A 118 118 VAL C C 124 173.967 174.015 -0.048 1 1 1348 . 3 1 1 A 118 118 VAL CA C 124 59.056 59.214 -0.158 1 1 1349 . 3 1 1 A 118 118 VAL CB C 124 34.376 36.035 -1.659 1 1 1351 . 3 1 1 A 118 118 VAL N N 124 118.546 114.262 4.284 1 1 1352 . 3 1 1 A 119 119 ALA H H 125 8.327 8.803 -0.476 1 1 1353 . 3 1 1 A 119 119 ALA HA H 125 4.624 5.049 -0.425 1 1 1357 . 3 1 1 A 119 119 ALA C C 125 177.165 175.997 1.168 1 1 1358 . 3 1 1 A 119 119 ALA CA C 125 52.043 50.629 1.414 1 1 1359 . 3 1 1 A 119 119 ALA CB C 125 18.232 19.789 -1.557 1 1 1360 . 3 1 1 A 119 119 ALA N N 125 125.947 125.199 0.748 1 1 1361 . 3 1 1 A 120 120 LYS H H 126 7.604 8.658 -1.054 1 1 1362 . 3 1 1 A 120 120 LYS HA H 126 4.046 4.784 -0.738 1 1 1371 . 3 1 1 A 120 120 LYS C C 126 172.631 176.018 -3.387 1 1 1372 . 3 1 1 A 120 120 LYS CA C 126 56.023 54.505 1.518 1 1 1373 . 3 1 1 A 120 120 LYS CB C 126 34.482 35.899 -1.417 1 1 1377 . 3 1 1 A 120 120 LYS N N 126 126.149 123.125 3.024 1 1 1378 . 3 1 1 A 121 121 ARG H H 127 8.308 8.649 -0.341 1 1 1379 . 3 1 1 A 121 121 ARG HA H 127 4.901 4.405 0.496 1 1 1384 . 3 1 1 A 121 121 ARG C C 127 176.253 175.651 0.602 1 1 1385 . 3 1 1 A 121 121 ARG CA C 127 55.564 56.382 -0.818 1 1 1386 . 3 1 1 A 121 121 ARG CB C 127 28.273 29.205 -0.932 1 1 1388 . 3 1 1 A 121 121 ARG N N 127 122.760 123.762 -1.002 1 1 1389 . 3 1 1 A 122 122 GLN H H 128 7.529 8.932 -1.403 1 1 1390 . 3 1 1 A 122 122 GLN HA H 128 4.541 4.464 0.077 1 1 1397 . 3 1 1 A 122 122 GLN C C 128 172.163 174.714 -2.551 1 1 1398 . 3 1 1 A 122 122 GLN CA C 128 54.218 54.999 -0.781 1 1 1399 . 3 1 1 A 122 122 GLN CB C 128 32.064 27.381 4.683 1 1 1401 . 3 1 1 A 122 122 GLN N N 128 121.022 122.534 -1.512 1 1 1403 . 3 1 1 A 123 123 PHE H H 129 8.620 9.203 -0.583 1 1 1404 . 3 1 1 A 123 123 PHE HA H 129 6.040 5.393 0.647 1 1 1411 . 3 1 1 A 123 123 PHE C C 129 174.530 174.321 0.209 1 1 1412 . 3 1 1 A 123 123 PHE CA C 129 56.026 57.444 -1.418 1 1 1413 . 3 1 1 A 123 123 PHE CB C 129 42.143 42.066 0.077 1 1 1414 . 3 1 1 A 123 123 PHE N N 129 125.540 128.140 -2.600 1 1 1415 . 3 1 1 A 124 124 ARG H H 130 8.018 8.187 -0.169 1 1 1416 . 3 1 1 A 124 124 ARG HA H 130 4.366 4.623 -0.257 1 1 1423 . 3 1 1 A 124 124 ARG C C 130 172.139 174.378 -2.239 1 1 1424 . 3 1 1 A 124 124 ARG CA C 130 53.422 53.646 -0.224 1 1 1425 . 3 1 1 A 124 124 ARG CB C 130 32.310 34.275 -1.965 1 1 1428 . 3 1 1 A 124 124 ARG N N 130 125.264 126.110 -0.846 1 1 1429 . 3 1 1 A 125 125 ILE H H 131 8.462 8.133 0.329 1 1 1430 . 3 1 1 A 125 125 ILE HA H 131 3.883 4.313 -0.430 1 1 1440 . 3 1 1 A 125 125 ILE C C 131 175.487 175.047 0.440 1 1 1441 . 3 1 1 A 125 125 ILE CA C 131 58.339 61.644 -3.305 1 1 1442 . 3 1 1 A 125 125 ILE CB C 131 35.673 39.126 -3.453 1 1 1446 . 3 1 1 A 125 125 ILE N N 131 121.887 124.444 -2.557 1 1 1447 . 3 1 1 A 126 126 GLY H H 132 8.814 7.984 0.830 1 1 1448 . 3 1 1 A 126 126 GLY HA2 H 132 4.062 4.200 -0.138 1 1 1449 . 3 1 1 A 126 126 GLY HA3 H 132 4.062 4.222 -0.160 1 1 1450 . 3 1 1 A 126 126 GLY C C 132 171.583 172.604 -1.021 1 1 1451 . 3 1 1 A 126 126 GLY CA C 132 44.157 44.116 0.041 1 1 1452 . 3 1 1 A 126 126 GLY N N 132 115.675 114.772 0.903 1 1 1453 . 3 1 1 A 127 127 ASP H H 133 7.914 7.965 -0.051 1 1 1454 . 3 1 1 A 127 127 ASP HA H 133 4.584 4.747 -0.163 1 1 1457 . 3 1 1 A 127 127 ASP C C 133 174.132 175.899 -1.767 1 1 1458 . 3 1 1 A 127 127 ASP CA C 133 54.822 54.342 0.480 1 1 1459 . 3 1 1 A 127 127 ASP CB C 133 45.407 41.905 3.502 1 1 1460 . 3 1 1 A 127 127 ASP N N 133 123.737 120.047 3.690 1 1 1461 . 3 1 1 A 128 128 ILE H H 134 8.258 8.972 -0.714 1 1 1462 . 3 1 1 A 128 128 ILE HA H 134 4.392 4.605 -0.213 1 1 1472 . 3 1 1 A 128 128 ILE C C 134 174.799 175.299 -0.500 1 1 1473 . 3 1 1 A 128 128 ILE CA C 134 61.596 60.765 0.831 1 1 1474 . 3 1 1 A 128 128 ILE CB C 134 37.549 36.898 0.651 1 1 1478 . 3 1 1 A 128 128 ILE N N 134 119.105 123.766 -4.661 1 1 1479 . 3 1 1 A 129 129 ALA H H 135 8.607 8.378 0.229 1 1 1480 . 3 1 1 A 129 129 ALA HA H 135 4.757 4.568 0.189 1 1 1484 . 3 1 1 A 129 129 ALA C C 135 173.358 177.178 -3.820 1 1 1485 . 3 1 1 A 129 129 ALA CA C 135 50.608 52.616 -2.008 1 1 1486 . 3 1 1 A 129 129 ALA CB C 135 23.348 19.418 3.930 1 1 1487 . 3 1 1 A 129 129 ALA N N 135 129.336 131.094 -1.758 1 1 1488 . 3 1 1 A 130 130 GLY H H 136 7.514 8.446 -0.932 1 1 1489 . 3 1 1 A 130 130 GLY HA2 H 136 3.551 3.290 0.261 1 1 1490 . 3 1 1 A 130 130 GLY HA3 H 136 4.422 3.888 0.534 1 1 1491 . 3 1 1 A 130 130 GLY C C 136 172.609 172.292 0.317 1 1 1492 . 3 1 1 A 130 130 GLY CA C 136 44.315 45.050 -0.735 1 1 1493 . 3 1 1 A 130 130 GLY N N 136 101.232 107.494 -6.262 1 1 1494 . 3 1 1 A 131 131 GLU H H 137 8.225 8.326 -0.101 1 1 1495 . 3 1 1 A 131 131 GLU HA H 137 4.540 4.347 0.193 1 1 1500 . 3 1 1 A 131 131 GLU C C 137 174.864 176.013 -1.149 1 1 1501 . 3 1 1 A 131 131 GLU CA C 137 53.120 55.137 -2.017 1 1 1502 . 3 1 1 A 131 131 GLU CB C 137 28.254 28.286 -0.032 1 1 1504 . 3 1 1 A 131 131 GLU N N 137 121.002 120.349 0.653 1 1 1505 . 3 1 1 A 132 132 HIS H H 138 8.054 7.237 0.817 1 1 1506 . 3 1 1 A 132 132 HIS HA H 138 4.771 4.684 0.087 1 1 1511 . 3 1 1 A 132 132 HIS C C 138 175.411 174.367 1.044 1 1 1512 . 3 1 1 A 132 132 HIS CA C 138 57.942 55.816 2.126 1 1 1513 . 3 1 1 A 132 132 HIS CB C 138 27.710 30.068 -2.358 1 1 1514 . 3 1 1 A 132 132 HIS N N 138 124.204 123.038 1.166 1 1 1515 . 3 1 1 A 133 133 THR H H 139 9.056 8.751 0.305 1 1 1516 . 3 1 1 A 133 133 THR HA H 139 3.864 4.712 -0.848 1 1 1521 . 3 1 1 A 133 133 THR C C 139 174.178 174.774 -0.596 1 1 1522 . 3 1 1 A 133 133 THR CA C 139 63.225 61.399 1.826 1 1 1523 . 3 1 1 A 133 133 THR CB C 139 68.127 70.770 -2.643 1 1 1525 . 3 1 1 A 133 133 THR N N 139 125.345 118.984 6.361 1 1 1526 . 3 1 1 A 134 134 SER H H 140 8.834 7.675 1.159 1 1 1527 . 3 1 1 A 134 134 SER HA H 140 4.560 4.907 -0.347 1 1 1530 . 3 1 1 A 134 134 SER C C 140 176.713 175.049 1.664 1 1 1531 . 3 1 1 A 134 134 SER CA C 140 57.961 57.020 0.941 1 1 1532 . 3 1 1 A 134 134 SER CB C 140 63.030 63.125 -0.095 1 1 1533 . 3 1 1 A 134 134 SER N N 140 121.791 114.018 7.773 1 1 1534 . 3 1 1 A 135 135 PHE H H 141 9.597 8.118 1.479 1 1 1535 . 3 1 1 A 135 135 PHE HA H 141 3.953 4.280 -0.327 1 1 1542 . 3 1 1 A 135 135 PHE C C 141 175.375 177.693 -2.318 1 1 1543 . 3 1 1 A 135 135 PHE CA C 141 61.339 60.947 0.392 1 1 1544 . 3 1 1 A 135 135 PHE CB C 141 39.394 39.173 0.221 1 1 1545 . 3 1 1 A 135 135 PHE N N 141 128.822 121.147 7.675 1 1 1546 . 3 1 1 A 136 136 ASP H H 142 8.017 8.072 -0.055 1 1 1547 . 3 1 1 A 136 136 ASP HA H 142 4.352 4.053 0.299 1 1 1550 . 3 1 1 A 136 136 ASP C C 142 175.358 176.766 -1.408 1 1 1551 . 3 1 1 A 136 136 ASP CA C 142 55.223 55.813 -0.590 1 1 1552 . 3 1 1 A 136 136 ASP CB C 142 40.968 40.166 0.802 1 1 1553 . 3 1 1 A 136 136 ASP N N 142 113.108 118.409 -5.301 1 1 1554 . 3 1 1 A 137 137 LYS H H 143 7.340 7.610 -0.270 1 1 1555 . 3 1 1 A 137 137 LYS HA H 143 4.439 4.394 0.045 1 1 1564 . 3 1 1 A 137 137 LYS C C 143 175.571 176.462 -0.891 1 1 1565 . 3 1 1 A 137 137 LYS CA C 143 54.096 56.151 -2.055 1 1 1566 . 3 1 1 A 137 137 LYS CB C 143 32.545 33.545 -1.000 1 1 1570 . 3 1 1 A 137 137 LYS N N 143 117.716 117.430 0.286 1 1 1571 . 3 1 1 A 138 138 LEU H H 144 6.698 7.326 -0.628 1 1 1572 . 3 1 1 A 138 138 LEU HA H 144 3.903 4.532 -0.629 1 1 1582 . 3 1 1 A 138 138 LEU C C 144 174.123 175.361 -1.238 1 1 1583 . 3 1 1 A 138 138 LEU CA C 144 52.843 53.383 -0.540 1 1 1584 . 3 1 1 A 138 138 LEU CB C 144 40.993 41.359 -0.366 1 1 1588 . 3 1 1 A 138 138 LEU N N 144 120.536 121.297 -0.761 1 1 1589 . 3 1 1 A 139 139 PRO HA H 145 4.040 4.728 -0.688 1 1 1596 . 3 1 1 A 139 139 PRO C C 145 172.700 177.106 -4.406 1 1 1597 . 3 1 1 A 139 139 PRO CA C 145 62.654 62.600 0.054 1 1 1598 . 3 1 1 A 139 139 PRO CB C 145 30.086 32.756 -2.670 1 1 1601 . 3 1 1 A 140 140 GLU H H 146 8.343 8.925 -0.582 1 1 1602 . 3 1 1 A 140 140 GLU HA H 146 3.970 4.629 -0.659 1 1 1607 . 3 1 1 A 140 140 GLU C C 146 176.009 177.098 -1.089 1 1 1608 . 3 1 1 A 140 140 GLU CA C 146 56.119 56.469 -0.350 1 1 1609 . 3 1 1 A 140 140 GLU CB C 146 30.086 30.278 -0.192 1 1 1611 . 3 1 1 A 140 140 GLU N N 146 119.063 120.575 -1.512 1 1 1612 . 3 1 1 A 141 141 GLY H H 147 7.241 8.496 -1.255 1 1 1613 . 3 1 1 A 141 141 GLY HA2 H 147 3.918 3.794 0.124 1 1 1614 . 3 1 1 A 141 141 GLY HA3 H 147 3.814 3.799 0.015 1 1 1615 . 3 1 1 A 141 141 GLY C C 147 171.657 174.543 -2.886 1 1 1616 . 3 1 1 A 141 141 GLY CA C 147 43.929 47.132 -3.203 1 1 1617 . 3 1 1 A 141 141 GLY N N 147 104.270 109.684 -5.414 1 1 1618 . 3 1 1 A 142 142 GLY H H 148 8.241 7.653 0.588 1 1 1619 . 3 1 1 A 142 142 GLY HA2 H 148 3.710 4.206 -0.496 1 1 1620 . 3 1 1 A 142 142 GLY HA3 H 148 4.350 4.232 0.118 1 1 1621 . 3 1 1 A 142 142 GLY C C 148 171.767 172.218 -0.451 1 1 1622 . 3 1 1 A 142 142 GLY CA C 148 43.649 45.901 -2.252 1 1 1623 . 3 1 1 A 142 142 GLY N N 148 106.996 104.769 2.227 1 1 1624 . 3 1 1 A 143 143 ARG H H 149 8.214 8.628 -0.414 1 1 1625 . 3 1 1 A 143 143 ARG HA H 149 5.376 5.393 -0.017 1 1 1632 . 3 1 1 A 143 143 ARG C C 149 174.981 173.710 1.271 1 1 1633 . 3 1 1 A 143 143 ARG CA C 149 54.235 53.866 0.369 1 1 1634 . 3 1 1 A 143 143 ARG CB C 149 32.988 34.024 -1.036 1 1 1637 . 3 1 1 A 143 143 ARG N N 149 117.762 120.681 -2.919 1 1 1638 . 3 1 1 A 144 144 ALA H H 150 9.030 8.785 0.245 1 1 1639 . 3 1 1 A 144 144 ALA HA H 150 4.730 5.043 -0.313 1 1 1643 . 3 1 1 A 144 144 ALA C C 150 175.012 175.988 -0.976 1 1 1644 . 3 1 1 A 144 144 ALA CA C 150 50.732 50.276 0.456 1 1 1645 . 3 1 1 A 144 144 ALA CB C 150 23.448 21.470 1.978 1 1 1646 . 3 1 1 A 144 144 ALA N N 150 126.630 121.902 4.728 1 1 1647 . 3 1 1 A 145 145 THR H H 151 8.560 8.467 0.093 1 1 1648 . 3 1 1 A 145 145 THR HA H 151 4.846 4.653 0.193 1 1 1653 . 3 1 1 A 145 145 THR C C 151 171.870 173.150 -1.280 1 1 1654 . 3 1 1 A 145 145 THR CA C 151 61.997 62.382 -0.385 1 1 1655 . 3 1 1 A 145 145 THR CB C 151 69.746 69.999 -0.253 1 1 1657 . 3 1 1 A 145 145 THR N N 151 117.942 118.290 -0.348 1 1 1658 . 3 1 1 A 146 146 TYR H H 152 10.008 8.799 1.209 1 1 1659 . 3 1 1 A 146 146 TYR HA H 152 4.580 5.133 -0.553 1 1 1666 . 3 1 1 A 146 146 TYR C C 152 174.627 174.567 0.060 1 1 1667 . 3 1 1 A 146 146 TYR CA C 152 55.835 56.404 -0.569 1 1 1668 . 3 1 1 A 146 146 TYR CB C 152 40.094 43.245 -3.151 1 1 1669 . 3 1 1 A 146 146 TYR N N 152 126.097 123.479 2.618 1 1 1670 . 3 1 1 A 147 147 ARG H H 153 8.860 8.944 -0.084 1 1 1671 . 3 1 1 A 147 147 ARG HA H 153 5.404 5.316 0.088 1 1 1678 . 3 1 1 A 147 147 ARG C C 153 177.446 174.825 2.621 1 1 1679 . 3 1 1 A 147 147 ARG CA C 153 54.024 54.639 -0.615 1 1 1680 . 3 1 1 A 147 147 ARG CB C 153 33.539 34.116 -0.577 1 1 1683 . 3 1 1 A 147 147 ARG N N 153 121.042 122.429 -1.387 1 1 1684 . 3 1 1 A 148 148 GLY H H 154 8.916 9.114 -0.198 1 1 1685 . 3 1 1 A 148 148 GLY HA2 H 154 4.816 4.430 0.386 1 1 1686 . 3 1 1 A 148 148 GLY HA3 H 154 4.422 4.450 -0.028 1 1 1687 . 3 1 1 A 148 148 GLY C C 154 173.831 171.711 2.120 1 1 1688 . 3 1 1 A 148 148 GLY CA C 154 46.752 44.332 2.420 1 1 1689 . 3 1 1 A 148 148 GLY N N 154 114.154 111.896 2.258 1 1 1690 . 3 1 1 A 149 149 THR H H 155 9.063 9.218 -0.155 1 1 1691 . 3 1 1 A 149 149 THR HA H 155 4.711 5.122 -0.411 1 1 1696 . 3 1 1 A 149 149 THR C C 155 170.370 174.082 -3.712 1 1 1697 . 3 1 1 A 149 149 THR CA C 155 62.316 62.154 0.162 1 1 1698 . 3 1 1 A 149 149 THR CB C 155 72.596 70.491 2.105 1 1 1700 . 3 1 1 A 149 149 THR N N 155 126.410 115.788 10.622 1 1 1701 . 3 1 1 A 150 150 ALA H H 156 7.091 9.167 -2.076 1 1 1702 . 3 1 1 A 150 150 ALA HA H 156 5.289 5.521 -0.232 1 1 1706 . 3 1 1 A 150 150 ALA C C 156 173.965 176.228 -2.263 1 1 1707 . 3 1 1 A 150 150 ALA CA C 156 48.843 50.359 -1.516 1 1 1708 . 3 1 1 A 150 150 ALA CB C 156 22.573 22.825 -0.252 1 1 1709 . 3 1 1 A 150 150 ALA N N 156 127.540 129.084 -1.544 1 1 1710 . 3 1 1 A 151 151 PHE H H 157 8.536 8.280 0.256 1 1 1711 . 3 1 1 A 151 151 PHE HA H 157 5.442 5.378 0.064 1 1 1718 . 3 1 1 A 151 151 PHE C C 157 171.891 173.300 -1.409 1 1 1719 . 3 1 1 A 151 151 PHE CA C 157 53.282 55.569 -2.287 1 1 1720 . 3 1 1 A 151 151 PHE CB C 157 41.020 41.532 -0.512 1 1 1721 . 3 1 1 A 151 151 PHE N N 157 117.013 115.233 1.780 1 1 1722 . 3 1 1 A 152 152 GLY H H 158 8.548 8.328 0.220 1 1 1723 . 3 1 1 A 152 152 GLY HA2 H 158 4.003 2.813 1.190 1 1 1724 . 3 1 1 A 152 152 GLY HA3 H 158 3.124 3.881 -0.757 1 1 1725 . 3 1 1 A 152 152 GLY C C 158 173.148 171.606 1.542 1 1 1726 . 3 1 1 A 152 152 GLY CA C 158 42.630 44.892 -2.262 1 1 1727 . 3 1 1 A 152 152 GLY N N 158 108.356 105.919 2.437 1 1 1728 . 3 1 1 A 153 153 SER H H 159 7.610 7.832 -0.222 1 1 1729 . 3 1 1 A 153 153 SER HA H 159 3.421 4.594 -1.173 1 1 1732 . 3 1 1 A 153 153 SER C C 159 176.057 173.430 2.627 1 1 1733 . 3 1 1 A 153 153 SER CA C 159 58.787 57.297 1.490 1 1 1734 . 3 1 1 A 153 153 SER CB C 159 61.886 61.719 0.167 1 1 1735 . 3 1 1 A 153 153 SER N N 159 115.173 114.742 0.431 1 1 1736 . 3 1 1 A 154 154 ASP H H 160 9.894 8.085 1.809 1 1 1737 . 3 1 1 A 154 154 ASP HA H 160 4.168 4.774 -0.606 1 1 1740 . 3 1 1 A 154 154 ASP C C 160 175.191 175.712 -0.521 1 1 1741 . 3 1 1 A 154 154 ASP CA C 160 55.398 54.785 0.613 1 1 1742 . 3 1 1 A 154 154 ASP CB C 160 39.212 41.852 -2.640 1 1 1743 . 3 1 1 A 154 154 ASP N N 160 124.828 124.748 0.080 1 1 1744 . 3 1 1 A 155 155 ASP H H 161 7.520 8.034 -0.514 1 1 1745 . 3 1 1 A 155 155 ASP HA H 161 4.568 4.795 -0.227 1 1 1748 . 3 1 1 A 155 155 ASP C C 161 172.658 176.483 -3.825 1 1 1749 . 3 1 1 A 155 155 ASP CA C 161 54.342 53.105 1.237 1 1 1750 . 3 1 1 A 155 155 ASP CB C 161 40.619 42.078 -1.459 1 1 1751 . 3 1 1 A 155 155 ASP N N 161 116.749 117.905 -1.156 1 1 1752 . 3 1 1 A 156 156 ALA H H 162 8.544 8.104 0.440 1 1 1753 . 3 1 1 A 156 156 ALA HA H 162 4.916 4.060 0.856 1 1 1757 . 3 1 1 A 156 156 ALA C C 162 177.708 177.178 0.530 1 1 1758 . 3 1 1 A 156 156 ALA CA C 162 49.878 53.378 -3.500 1 1 1759 . 3 1 1 A 156 156 ALA CB C 162 17.473 17.650 -0.177 1 1 1760 . 3 1 1 A 156 156 ALA N N 162 128.246 119.762 8.484 1 1 1761 . 3 1 1 A 157 157 GLY H H 163 8.406 8.695 -0.289 1 1 1762 . 3 1 1 A 157 157 GLY HA2 H 163 4.286 3.855 0.431 1 1 1763 . 3 1 1 A 157 157 GLY HA3 H 163 3.894 3.860 0.034 1 1 1764 . 3 1 1 A 157 157 GLY C C 163 174.344 174.669 -0.325 1 1 1765 . 3 1 1 A 157 157 GLY CA C 163 45.049 45.513 -0.464 1 1 1766 . 3 1 1 A 157 157 GLY N N 163 106.545 102.997 3.548 1 1 1767 . 3 1 1 A 158 158 GLY H H 164 7.128 8.386 -1.258 1 1 1768 . 3 1 1 A 158 158 GLY HA2 H 164 4.118 4.046 0.072 1 1 1769 . 3 1 1 A 158 158 GLY HA3 H 164 3.641 4.106 -0.465 1 1 1770 . 3 1 1 A 158 158 GLY C C 164 173.903 173.530 0.373 1 1 1771 . 3 1 1 A 158 158 GLY CA C 164 45.225 44.654 0.571 1 1 1772 . 3 1 1 A 158 158 GLY N N 164 106.404 107.467 -1.063 1 1 1773 . 3 1 1 A 159 159 LYS H H 165 9.647 8.322 1.325 1 1 1774 . 3 1 1 A 159 159 LYS HA H 165 5.052 4.353 0.699 1 1 1781 . 3 1 1 A 159 159 LYS C C 165 174.390 176.387 -1.997 1 1 1782 . 3 1 1 A 159 159 LYS CA C 165 53.501 56.701 -3.200 1 1 1783 . 3 1 1 A 159 159 LYS CB C 165 34.622 33.242 1.380 1 1 1786 . 3 1 1 A 159 159 LYS N N 165 123.930 120.996 2.934 1 1 1787 . 3 1 1 A 160 160 LEU H H 166 7.706 8.825 -1.119 1 1 1788 . 3 1 1 A 160 160 LEU HA H 166 4.873 5.362 -0.489 1 1 1798 . 3 1 1 A 160 160 LEU C C 166 174.825 175.214 -0.389 1 1 1799 . 3 1 1 A 160 160 LEU CA C 166 52.677 52.870 -0.193 1 1 1800 . 3 1 1 A 160 160 LEU CB C 166 44.629 46.119 -1.490 1 1 1804 . 3 1 1 A 160 160 LEU N N 166 126.271 120.388 5.883 1 1 1805 . 3 1 1 A 161 161 THR H H 167 8.374 8.752 -0.378 1 1 1806 . 3 1 1 A 161 161 THR HA H 167 4.949 5.232 -0.283 1 1 1811 . 3 1 1 A 161 161 THR C C 167 172.102 173.176 -1.074 1 1 1812 . 3 1 1 A 161 161 THR CA C 167 61.761 61.836 -0.075 1 1 1813 . 3 1 1 A 161 161 THR CB C 167 70.169 70.938 -0.769 1 1 1815 . 3 1 1 A 161 161 THR N N 167 122.977 115.372 7.605 1 1 1816 . 3 1 1 A 162 162 TYR H H 168 9.174 9.081 0.093 1 1 1817 . 3 1 1 A 162 162 TYR HA H 168 4.766 5.564 -0.798 1 1 1824 . 3 1 1 A 162 162 TYR C C 168 172.249 173.863 -1.614 1 1 1825 . 3 1 1 A 162 162 TYR CA C 168 58.162 56.867 1.295 1 1 1826 . 3 1 1 A 162 162 TYR CB C 168 43.746 42.606 1.140 1 1 1827 . 3 1 1 A 162 162 TYR N N 168 128.112 127.020 1.092 1 1 1828 . 3 1 1 A 163 163 THR H H 169 8.711 8.184 0.527 1 1 1829 . 3 1 1 A 163 163 THR HA H 169 5.402 5.173 0.229 1 1 1834 . 3 1 1 A 163 163 THR C C 169 172.520 171.839 0.681 1 1 1835 . 3 1 1 A 163 163 THR CA C 169 60.804 59.926 0.878 1 1 1836 . 3 1 1 A 163 163 THR CB C 169 70.818 71.618 -0.800 1 1 1838 . 3 1 1 A 163 163 THR N N 169 124.549 120.132 4.417 1 1 1839 . 3 1 1 A 164 164 ILE H H 170 8.927 8.955 -0.028 1 1 1840 . 3 1 1 A 164 164 ILE HA H 170 4.313 4.952 -0.639 1 1 1850 . 3 1 1 A 164 164 ILE C C 170 173.105 173.992 -0.887 1 1 1851 . 3 1 1 A 164 164 ILE CA C 170 60.595 59.920 0.675 1 1 1852 . 3 1 1 A 164 164 ILE CB C 170 41.274 41.538 -0.264 1 1 1856 . 3 1 1 A 164 164 ILE N N 170 123.685 126.819 -3.134 1 1 1857 . 3 1 1 A 165 165 ASP H H 171 8.372 9.123 -0.751 1 1 1858 . 3 1 1 A 165 165 ASP HA H 171 4.750 4.828 -0.078 1 1 1861 . 3 1 1 A 165 165 ASP C C 171 177.213 176.292 0.921 1 1 1862 . 3 1 1 A 165 165 ASP CA C 171 51.669 53.320 -1.651 1 1 1863 . 3 1 1 A 165 165 ASP CB C 171 41.730 38.737 2.993 1 1 1864 . 3 1 1 A 165 165 ASP N N 171 125.168 129.561 -4.393 1 1 1865 . 3 1 1 A 166 166 PHE H H 172 8.968 8.186 0.782 1 1 1866 . 3 1 1 A 166 166 PHE HA H 172 3.879 4.225 -0.346 1 1 1874 . 3 1 1 A 166 166 PHE C C 172 176.940 177.993 -1.053 1 1 1875 . 3 1 1 A 166 166 PHE CA C 172 61.543 60.822 0.721 1 1 1876 . 3 1 1 A 166 166 PHE CB C 172 37.424 38.754 -1.330 1 1 1877 . 3 1 1 A 166 166 PHE N N 172 123.597 121.287 2.310 1 1 1878 . 3 1 1 A 167 167 ALA H H 173 8.266 8.388 -0.122 1 1 1879 . 3 1 1 A 167 167 ALA HA H 173 4.322 4.049 0.273 1 1 1883 . 3 1 1 A 167 167 ALA C C 173 178.888 178.819 0.069 1 1 1884 . 3 1 1 A 167 167 ALA CA C 173 54.458 55.197 -0.739 1 1 1885 . 3 1 1 A 167 167 ALA CB C 173 17.591 18.336 -0.745 1 1 1886 . 3 1 1 A 167 167 ALA N N 173 122.113 121.845 0.268 1 1 1887 . 3 1 1 A 168 168 ALA H H 174 7.405 7.659 -0.254 1 1 1888 . 3 1 1 A 168 168 ALA HA H 174 4.096 4.371 -0.275 1 1 1892 . 3 1 1 A 168 168 ALA C C 174 176.605 176.535 0.070 1 1 1893 . 3 1 1 A 168 168 ALA CA C 174 51.225 51.303 -0.078 1 1 1894 . 3 1 1 A 168 168 ALA CB C 174 18.307 19.168 -0.861 1 1 1895 . 3 1 1 A 168 168 ALA N N 174 118.760 118.120 0.640 1 1 1896 . 3 1 1 A 169 169 LYS H H 175 7.906 8.142 -0.236 1 1 1897 . 3 1 1 A 169 169 LYS HA H 175 3.391 3.820 -0.429 1 1 1904 . 3 1 1 A 169 169 LYS C C 175 174.608 174.834 -0.226 1 1 1905 . 3 1 1 A 169 169 LYS CA C 175 57.049 57.273 -0.224 1 1 1906 . 3 1 1 A 169 169 LYS CB C 175 30.051 29.418 0.633 1 1 1909 . 3 1 1 A 169 169 LYS N N 175 114.394 115.262 -0.868 1 1 1910 . 3 1 1 A 170 170 GLN H H 176 7.629 7.617 0.012 1 1 1911 . 3 1 1 A 170 170 GLN HA H 176 5.414 5.077 0.337 1 1 1918 . 3 1 1 A 170 170 GLN C C 176 174.325 174.560 -0.235 1 1 1919 . 3 1 1 A 170 170 GLN CA C 176 54.393 54.276 0.117 1 1 1920 . 3 1 1 A 170 170 GLN CB C 176 34.771 31.118 3.653 1 1 1922 . 3 1 1 A 170 170 GLN N N 176 116.433 116.467 -0.034 1 1 1924 . 3 1 1 A 171 171 GLY H H 177 8.854 9.046 -0.192 1 1 1925 . 3 1 1 A 171 171 GLY HA2 H 177 5.205 4.096 1.109 1 1 1926 . 3 1 1 A 171 171 GLY HA3 H 177 3.526 4.347 -0.821 1 1 1927 . 3 1 1 A 171 171 GLY C C 177 170.842 172.040 -1.198 1 1 1928 . 3 1 1 A 171 171 GLY CA C 177 44.621 44.701 -0.080 1 1 1929 . 3 1 1 A 171 171 GLY N N 177 110.189 113.087 -2.898 1 1 1930 . 3 1 1 A 172 172 ASN H H 178 7.637 8.773 -1.136 1 1 1931 . 3 1 1 A 172 172 ASN HA H 178 4.224 5.407 -1.183 1 1 1936 . 3 1 1 A 172 172 ASN C C 178 171.546 173.774 -2.228 1 1 1937 . 3 1 1 A 172 172 ASN CA C 178 53.729 51.430 2.299 1 1 1938 . 3 1 1 A 172 172 ASN CB C 178 41.543 42.555 -1.012 1 1 1939 . 3 1 1 A 172 172 ASN N N 178 112.667 122.312 -9.645 1 1 1941 . 3 1 1 A 173 173 GLY H H 179 9.103 8.417 0.686 1 1 1942 . 3 1 1 A 173 173 GLY HA2 H 179 4.491 4.262 0.229 1 1 1943 . 3 1 1 A 173 173 GLY HA3 H 179 4.084 4.311 -0.227 1 1 1944 . 3 1 1 A 173 173 GLY C C 179 172.400 171.752 0.648 1 1 1945 . 3 1 1 A 173 173 GLY CA C 179 47.199 46.007 1.192 1 1 1946 . 3 1 1 A 173 173 GLY N N 179 106.686 108.119 -1.433 1 1 1947 . 3 1 1 A 174 174 LYS H H 180 9.179 8.554 0.625 1 1 1948 . 3 1 1 A 174 174 LYS HA H 180 4.821 5.086 -0.265 1 1 1957 . 3 1 1 A 174 174 LYS C C 180 172.518 174.309 -1.791 1 1 1958 . 3 1 1 A 174 174 LYS CA C 180 56.617 55.030 1.587 1 1 1959 . 3 1 1 A 174 174 LYS CB C 180 35.373 36.287 -0.914 1 1 1963 . 3 1 1 A 174 174 LYS N N 180 121.816 116.454 5.362 1 1 1964 . 3 1 1 A 175 175 ILE H H 181 8.351 8.700 -0.349 1 1 1965 . 3 1 1 A 175 175 ILE HA H 181 4.581 4.695 -0.114 1 1 1973 . 3 1 1 A 175 175 ILE C C 181 173.997 175.579 -1.582 1 1 1974 . 3 1 1 A 175 175 ILE CA C 181 60.490 59.971 0.519 1 1 1975 . 3 1 1 A 175 175 ILE CB C 181 39.573 40.075 -0.502 1 1 1978 . 3 1 1 A 175 175 ILE N N 181 123.400 123.756 -0.356 1 1 1979 . 3 1 1 A 176 176 GLU H H 182 8.492 8.218 0.274 1 1 1980 . 3 1 1 A 176 176 GLU HA H 182 4.471 4.584 -0.113 1 1 1985 . 3 1 1 A 176 176 GLU C C 182 175.392 175.653 -0.261 1 1 1986 . 3 1 1 A 176 176 GLU CA C 182 53.410 55.617 -2.207 1 1 1987 . 3 1 1 A 176 176 GLU CB C 182 35.479 30.639 4.840 1 1 1989 . 3 1 1 A 176 176 GLU N N 182 122.287 126.728 -4.441 1 1 1990 . 3 1 1 A 177 177 HIS H H 183 8.431 7.691 0.740 1 1 1991 . 3 1 1 A 177 177 HIS HA H 183 3.975 4.795 -0.820 1 1 1996 . 3 1 1 A 177 177 HIS C C 183 176.008 173.897 2.111 1 1 1997 . 3 1 1 A 177 177 HIS CA C 183 57.533 54.513 3.020 1 1 1998 . 3 1 1 A 177 177 HIS CB C 183 27.362 29.327 -1.965 1 1 1999 . 3 1 1 A 177 177 HIS N N 183 109.605 119.201 -9.596 1 1 2000 . 3 1 1 A 178 178 LEU H H 184 9.603 7.891 1.712 1 1 2001 . 3 1 1 A 178 178 LEU HA H 184 4.276 4.928 -0.652 1 1 2011 . 3 1 1 A 178 178 LEU C C 184 178.805 177.786 1.019 1 1 2012 . 3 1 1 A 178 178 LEU CA C 184 56.034 53.481 2.553 1 1 2013 . 3 1 1 A 178 178 LEU CB C 184 39.882 44.882 -5.000 1 1 2017 . 3 1 1 A 178 178 LEU N N 184 124.374 123.192 1.182 1 1 2018 . 3 1 1 A 179 179 LYS H H 185 10.002 8.775 1.227 1 1 2019 . 3 1 1 A 179 179 LYS HA H 185 3.682 4.075 -0.393 1 1 2028 . 3 1 1 A 179 179 LYS C C 185 177.660 176.131 1.529 1 1 2029 . 3 1 1 A 179 179 LYS CA C 185 57.721 58.379 -0.658 1 1 2030 . 3 1 1 A 179 179 LYS CB C 185 31.949 32.213 -0.264 1 1 2034 . 3 1 1 A 179 179 LYS N N 185 122.880 121.136 1.744 1 1 2035 . 3 1 1 A 180 180 SER H H 186 7.262 7.959 -0.697 1 1 2036 . 3 1 1 A 180 180 SER HA H 186 4.672 4.931 -0.259 1 1 2039 . 3 1 1 A 180 180 SER C C 186 173.086 173.827 -0.741 1 1 2040 . 3 1 1 A 180 180 SER CA C 186 54.576 55.514 -0.938 1 1 2041 . 3 1 1 A 180 180 SER CB C 186 62.715 65.434 -2.719 1 1 2042 . 3 1 1 A 180 180 SER N N 186 115.187 115.759 -0.572 1 1 2043 . 3 1 1 A 181 181 PRO HA H 187 3.956 4.450 -0.494 1 1 2050 . 3 1 1 A 181 181 PRO CA C 187 65.359 64.993 0.366 1 1 2051 . 3 1 1 A 181 181 PRO CB C 187 32.061 32.102 -0.041 1 1 2054 . 3 1 1 A 182 182 GLU H H 188 8.076 9.211 -1.135 1 1 2055 . 3 1 1 A 182 182 GLU HA H 188 3.011 4.145 -1.134 1 1 2060 . 3 1 1 A 182 182 GLU C C 188 173.944 177.559 -3.615 1 1 2061 . 3 1 1 A 182 182 GLU CA C 188 56.597 58.502 -1.905 1 1 2062 . 3 1 1 A 182 182 GLU CB C 188 29.581 28.183 1.398 1 1 2064 . 3 1 1 A 182 182 GLU N N 188 113.034 117.227 -4.193 1 1 2065 . 3 1 1 A 183 183 LEU H H 189 7.126 7.461 -0.335 1 1 2066 . 3 1 1 A 183 183 LEU HA H 189 3.970 4.197 -0.227 1 1 2076 . 3 1 1 A 183 183 LEU C C 189 175.597 177.191 -1.594 1 1 2077 . 3 1 1 A 183 183 LEU CA C 189 53.849 55.698 -1.849 1 1 2078 . 3 1 1 A 183 183 LEU CB C 189 41.152 42.324 -1.172 1 1 2082 . 3 1 1 A 183 183 LEU N N 189 112.896 118.612 -5.716 1 1 2083 . 3 1 1 A 184 184 ASN H H 190 6.952 7.816 -0.864 1 1 2084 . 3 1 1 A 184 184 ASN HA H 190 4.596 4.509 0.087 1 1 2089 . 3 1 1 A 184 184 ASN C C 190 175.694 175.095 0.599 1 1 2090 . 3 1 1 A 184 184 ASN CA C 190 53.200 53.891 -0.691 1 1 2091 . 3 1 1 A 184 184 ASN CB C 190 36.466 38.690 -2.224 1 1 2092 . 3 1 1 A 184 184 ASN N N 190 117.865 117.983 -0.118 1 1 2094 . 3 1 1 A 185 185 VAL H H 191 7.178 8.725 -1.547 1 1 2095 . 3 1 1 A 185 185 VAL HA H 191 4.480 4.784 -0.304 1 1 2103 . 3 1 1 A 185 185 VAL C C 191 174.874 175.090 -0.216 1 1 2104 . 3 1 1 A 185 185 VAL CA C 191 59.753 59.467 0.286 1 1 2105 . 3 1 1 A 185 185 VAL CB C 191 33.035 34.359 -1.324 1 1 2108 . 3 1 1 A 185 185 VAL N N 191 113.276 118.759 -5.483 1 1 2109 . 3 1 1 A 186 186 ASP H H 192 8.827 8.592 0.235 1 1 2110 . 3 1 1 A 186 186 ASP HA H 192 4.779 4.932 -0.153 1 1 2113 . 3 1 1 A 186 186 ASP C C 192 174.919 175.583 -0.664 1 1 2114 . 3 1 1 A 186 186 ASP CA C 192 54.058 54.544 -0.486 1 1 2115 . 3 1 1 A 186 186 ASP CB C 192 41.635 41.623 0.012 1 1 2116 . 3 1 1 A 186 186 ASP N N 192 118.111 122.817 -4.706 1 1 2117 . 3 1 1 A 187 187 LEU H H 193 8.375 8.176 0.199 1 1 2118 . 3 1 1 A 187 187 LEU HA H 193 4.146 4.812 -0.666 1 1 2127 . 3 1 1 A 187 187 LEU CA C 193 52.331 53.864 -1.533 1 1 2128 . 3 1 1 A 187 187 LEU CB C 193 38.187 44.201 -6.014 1 1 2131 . 3 1 1 A 187 187 LEU N N 193 123.130 125.735 -2.605 1 1 2132 . 3 1 1 A 188 188 ALA H H 194 8.225 8.507 -0.282 1 1 2133 . 3 1 1 A 188 188 ALA HA H 194 4.098 4.544 -0.446 1 1 2137 . 3 1 1 A 188 188 ALA C C 194 176.239 177.001 -0.762 1 1 2138 . 3 1 1 A 188 188 ALA CA C 194 52.498 51.971 0.527 1 1 2139 . 3 1 1 A 188 188 ALA CB C 194 20.030 19.055 0.975 1 1 2140 . 3 1 1 A 188 188 ALA N N 194 126.289 128.562 -2.273 1 1 2141 . 3 1 1 A 189 189 ALA H H 195 8.275 8.291 -0.016 1 1 2142 . 3 1 1 A 189 189 ALA HA H 195 4.862 4.371 0.491 1 1 2146 . 3 1 1 A 189 189 ALA C C 195 178.131 178.272 -0.141 1 1 2147 . 3 1 1 A 189 189 ALA CA C 195 51.822 53.212 -1.390 1 1 2148 . 3 1 1 A 189 189 ALA CB C 195 17.367 19.047 -1.680 1 1 2149 . 3 1 1 A 189 189 ALA N N 195 122.010 125.912 -3.902 1 1 2150 . 3 1 1 A 190 190 ALA H H 196 8.823 8.687 0.136 1 1 2151 . 3 1 1 A 190 190 ALA HA H 196 4.634 5.131 -0.497 1 1 2155 . 3 1 1 A 190 190 ALA C C 196 175.141 175.527 -0.386 1 1 2156 . 3 1 1 A 190 190 ALA CA C 196 50.420 50.433 -0.013 1 1 2157 . 3 1 1 A 190 190 ALA CB C 196 23.461 24.138 -0.677 1 1 2158 . 3 1 1 A 190 190 ALA N N 196 126.018 124.473 1.545 1 1 2159 . 3 1 1 A 191 191 ASP H H 197 8.365 8.740 -0.375 1 1 2160 . 3 1 1 A 191 191 ASP HA H 197 5.160 5.317 -0.157 1 1 2163 . 3 1 1 A 191 191 ASP C C 197 176.028 175.195 0.833 1 1 2164 . 3 1 1 A 191 191 ASP CA C 197 54.034 52.165 1.869 1 1 2165 . 3 1 1 A 191 191 ASP CB C 197 41.691 43.421 -1.730 1 1 2166 . 3 1 1 A 191 191 ASP N N 197 118.646 118.267 0.379 1 1 2167 . 3 1 1 A 192 192 ILE H H 198 7.915 7.831 0.084 1 1 2168 . 3 1 1 A 192 192 ILE HA H 198 4.315 4.481 -0.166 1 1 2178 . 3 1 1 A 192 192 ILE C C 198 174.684 174.578 0.106 1 1 2179 . 3 1 1 A 192 192 ILE CA C 198 60.951 61.724 -0.773 1 1 2180 . 3 1 1 A 192 192 ILE CB C 198 41.989 38.665 3.324 1 1 2184 . 3 1 1 A 192 192 ILE N N 198 119.664 122.340 -2.676 1 1 2185 . 3 1 1 A 193 193 LYS H H 199 9.175 8.453 0.722 1 1 2186 . 3 1 1 A 193 193 LYS HA H 199 4.530 4.715 -0.185 1 1 2195 . 3 1 1 A 193 193 LYS C C 199 172.639 175.932 -3.293 1 1 2196 . 3 1 1 A 193 193 LYS CA C 199 53.361 52.914 0.447 1 1 2197 . 3 1 1 A 193 193 LYS CB C 199 34.758 33.716 1.042 1 1 2201 . 3 1 1 A 193 193 LYS N N 199 127.122 128.256 -1.134 1 1 2202 . 3 1 1 A 195 195 ASP H H 201 8.390 7.665 0.725 1 1 2203 . 3 1 1 A 195 195 ASP HA H 201 4.550 4.671 -0.121 1 1 2206 . 3 1 1 A 195 195 ASP C C 201 179.300 176.514 2.786 1 1 2207 . 3 1 1 A 195 195 ASP CA C 201 51.354 54.053 -2.699 1 1 2208 . 3 1 1 A 195 195 ASP CB C 201 40.324 42.109 -1.785 1 1 2209 . 3 1 1 A 195 195 ASP N N 201 123.239 122.077 1.162 1 1 2210 . 3 1 1 A 196 196 GLY HA2 H 202 3.718 3.687 0.031 1 1 2211 . 3 1 1 A 196 196 GLY HA3 H 202 3.437 4.102 -0.665 1 1 2212 . 3 1 1 A 196 196 GLY CA C 202 46.527 44.761 1.766 1 1 2213 . 3 1 1 A 197 197 LYS H H 203 7.740 8.438 -0.698 1 1 2214 . 3 1 1 A 197 197 LYS HA H 203 4.118 4.150 -0.032 1 1 2221 . 3 1 1 A 197 197 LYS C C 203 174.941 176.905 -1.964 1 1 2222 . 3 1 1 A 197 197 LYS CA C 203 55.054 58.474 -3.420 1 1 2223 . 3 1 1 A 197 197 LYS CB C 203 31.192 32.038 -0.846 1 1 2226 . 3 1 1 A 197 197 LYS N N 203 120.305 122.697 -2.392 1 1 2227 . 3 1 1 A 198 198 ARG H H 204 8.059 8.127 -0.068 1 1 2228 . 3 1 1 A 198 198 ARG HA H 204 3.441 4.651 -1.210 1 1 2235 . 3 1 1 A 198 198 ARG C C 204 175.152 174.916 0.236 1 1 2236 . 3 1 1 A 198 198 ARG CA C 204 56.911 56.126 0.785 1 1 2237 . 3 1 1 A 198 198 ARG CB C 204 26.584 32.221 -5.637 1 1 2240 . 3 1 1 A 198 198 ARG N N 204 111.796 115.374 -3.578 1 1 2241 . 3 1 1 A 199 199 HIS H H 205 8.531 8.206 0.325 1 1 2242 . 3 1 1 A 199 199 HIS HA H 205 4.812 5.091 -0.279 1 1 2247 . 3 1 1 A 199 199 HIS C C 205 174.866 172.945 1.921 1 1 2248 . 3 1 1 A 199 199 HIS CA C 205 53.700 54.198 -0.498 1 1 2249 . 3 1 1 A 199 199 HIS CB C 205 27.838 32.032 -4.194 1 1 2250 . 3 1 1 A 199 199 HIS N N 205 120.255 115.039 5.216 1 1 2251 . 3 1 1 A 200 200 ALA H H 206 8.492 8.472 0.020 1 1 2252 . 3 1 1 A 200 200 ALA HA H 206 4.615 4.676 -0.061 1 1 2256 . 3 1 1 A 200 200 ALA C C 206 175.840 175.385 0.455 1 1 2257 . 3 1 1 A 200 200 ALA CA C 206 52.247 51.050 1.197 1 1 2258 . 3 1 1 A 200 200 ALA CB C 206 19.838 23.308 -3.470 1 1 2259 . 3 1 1 A 200 200 ALA N N 206 123.237 120.468 2.769 1 1 2260 . 3 1 1 A 201 201 VAL H H 207 9.174 8.384 0.790 1 1 2261 . 3 1 1 A 201 201 VAL HA H 207 4.976 4.651 0.325 1 1 2269 . 3 1 1 A 201 201 VAL C C 207 173.390 173.995 -0.605 1 1 2270 . 3 1 1 A 201 201 VAL CA C 207 60.775 58.983 1.792 1 1 2271 . 3 1 1 A 201 201 VAL CB C 207 35.488 35.974 -0.486 1 1 2274 . 3 1 1 A 201 201 VAL N N 207 123.250 110.476 12.774 1 1 2275 . 3 1 1 A 202 202 ILE H H 208 8.887 8.165 0.722 1 1 2276 . 3 1 1 A 202 202 ILE HA H 208 4.312 4.773 -0.461 1 1 2286 . 3 1 1 A 202 202 ILE C C 208 174.670 175.014 -0.344 1 1 2287 . 3 1 1 A 202 202 ILE CA C 208 60.815 59.637 1.178 1 1 2288 . 3 1 1 A 202 202 ILE CB C 208 41.576 40.018 1.558 1 1 2292 . 3 1 1 A 202 202 ILE N N 208 122.699 122.395 0.304 1 1 2293 . 3 1 1 A 203 203 SER H H 209 8.416 8.670 -0.254 1 1 2294 . 3 1 1 A 203 203 SER HA H 209 4.913 4.864 0.049 1 1 2297 . 3 1 1 A 203 203 SER C C 209 172.984 173.048 -0.064 1 1 2298 . 3 1 1 A 203 203 SER CA C 209 55.676 57.107 -1.431 1 1 2299 . 3 1 1 A 203 203 SER CB C 209 64.355 65.365 -1.010 1 1 2300 . 3 1 1 A 203 203 SER N N 209 122.067 124.283 -2.216 1 1 2301 . 3 1 1 A 204 204 GLY H H 210 7.292 7.711 -0.419 1 1 2302 . 3 1 1 A 204 204 GLY HA2 H 210 4.432 4.214 0.218 1 1 2303 . 3 1 1 A 204 204 GLY HA3 H 210 3.352 4.278 -0.926 1 1 2304 . 3 1 1 A 204 204 GLY C C 210 172.482 172.721 -0.239 1 1 2305 . 3 1 1 A 204 204 GLY CA C 210 45.167 44.817 0.350 1 1 2306 . 3 1 1 A 204 204 GLY N N 210 110.488 112.621 -2.133 1 1 2307 . 3 1 1 A 205 205 SER H H 211 8.652 8.631 0.021 1 1 2308 . 3 1 1 A 205 205 SER HA H 211 5.027 5.232 -0.205 1 1 2311 . 3 1 1 A 205 205 SER C C 211 172.852 173.088 -0.236 1 1 2312 . 3 1 1 A 205 205 SER CA C 211 58.806 57.682 1.124 1 1 2313 . 3 1 1 A 205 205 SER CB C 211 64.384 65.711 -1.327 1 1 2314 . 3 1 1 A 205 205 SER N N 211 116.497 117.044 -0.547 1 1 2315 . 3 1 1 A 206 206 VAL H H 212 7.400 8.584 -1.184 1 1 2316 . 3 1 1 A 206 206 VAL HA H 212 5.032 4.629 0.403 1 1 2324 . 3 1 1 A 206 206 VAL C C 212 174.500 175.349 -0.849 1 1 2325 . 3 1 1 A 206 206 VAL CA C 212 58.764 61.240 -2.476 1 1 2326 . 3 1 1 A 206 206 VAL CB C 212 30.512 35.376 -4.864 1 1 2329 . 3 1 1 A 206 206 VAL N N 212 117.101 123.397 -6.296 1 1 2330 . 3 1 1 A 207 207 LEU H H 213 8.961 8.732 0.229 1 1 2331 . 3 1 1 A 207 207 LEU HA H 213 5.312 4.634 0.678 1 1 2341 . 3 1 1 A 207 207 LEU C C 213 175.520 175.962 -0.442 1 1 2342 . 3 1 1 A 207 207 LEU CA C 213 52.630 54.618 -1.988 1 1 2343 . 3 1 1 A 207 207 LEU CB C 213 45.567 42.574 2.993 1 1 2347 . 3 1 1 A 207 207 LEU N N 213 124.185 127.890 -3.705 1 1 2348 . 3 1 1 A 208 208 TYR H H 214 8.836 8.664 0.172 1 1 2349 . 3 1 1 A 208 208 TYR HA H 214 4.766 4.797 -0.031 1 1 2356 . 3 1 1 A 208 208 TYR C C 214 175.964 174.380 1.584 1 1 2357 . 3 1 1 A 208 208 TYR CA C 214 56.943 58.047 -1.104 1 1 2358 . 3 1 1 A 208 208 TYR CB C 214 41.736 41.381 0.355 1 1 2359 . 3 1 1 A 208 208 TYR N N 214 120.202 119.713 0.489 1 1 2360 . 3 1 1 A 209 209 ASN H H 215 9.292 9.341 -0.049 1 1 2361 . 3 1 1 A 209 209 ASN HA H 215 4.001 4.463 -0.462 1 1 2366 . 3 1 1 A 209 209 ASN C C 215 174.336 174.323 0.013 1 1 2367 . 3 1 1 A 209 209 ASN CA C 215 53.923 54.136 -0.213 1 1 2368 . 3 1 1 A 209 209 ASN CB C 215 36.468 37.148 -0.680 1 1 2369 . 3 1 1 A 209 209 ASN N N 215 129.805 126.032 3.773 1 1 2371 . 3 1 1 A 210 210 GLN H H 216 8.614 8.450 0.164 1 1 2372 . 3 1 1 A 210 210 GLN HA H 216 3.453 3.816 -0.363 1 1 2379 . 3 1 1 A 210 210 GLN C C 216 173.521 174.791 -1.270 1 1 2380 . 3 1 1 A 210 210 GLN CA C 216 57.881 57.275 0.606 1 1 2381 . 3 1 1 A 210 210 GLN CB C 216 26.089 26.810 -0.721 1 1 2383 . 3 1 1 A 210 210 GLN N N 216 106.396 109.839 -3.443 1 1 2385 . 3 1 1 A 211 211 ALA H H 217 7.657 7.600 0.057 1 1 2386 . 3 1 1 A 211 211 ALA HA H 217 4.608 4.524 0.084 1 1 2390 . 3 1 1 A 211 211 ALA C C 217 176.432 176.537 -0.105 1 1 2391 . 3 1 1 A 211 211 ALA CA C 217 50.786 51.020 -0.234 1 1 2392 . 3 1 1 A 211 211 ALA CB C 217 20.499 20.968 -0.469 1 1 2393 . 3 1 1 A 211 211 ALA N N 217 123.338 118.620 4.718 1 1 2394 . 3 1 1 A 212 212 GLU H H 218 8.712 8.775 -0.063 1 1 2395 . 3 1 1 A 212 212 GLU HA H 218 4.525 4.254 0.271 1 1 2400 . 3 1 1 A 212 212 GLU C C 218 177.924 174.749 3.175 1 1 2401 . 3 1 1 A 212 212 GLU CA C 218 57.550 57.636 -0.086 1 1 2402 . 3 1 1 A 212 212 GLU CB C 218 28.811 29.282 -0.471 1 1 2404 . 3 1 1 A 212 212 GLU N N 218 122.631 116.794 5.837 1 1 2405 . 3 1 1 A 213 213 LYS H H 219 8.835 8.847 -0.012 1 1 2406 . 3 1 1 A 213 213 LYS HA H 219 4.612 4.898 -0.286 1 1 2415 . 3 1 1 A 213 213 LYS C C 219 173.786 176.119 -2.333 1 1 2416 . 3 1 1 A 213 213 LYS CA C 219 53.115 55.011 -1.896 1 1 2417 . 3 1 1 A 213 213 LYS CB C 219 34.180 33.853 0.327 1 1 2421 . 3 1 1 A 213 213 LYS N N 219 126.870 120.759 6.111 1 1 2422 . 3 1 1 A 214 214 GLY H H 220 7.929 9.409 -1.480 1 1 2423 . 3 1 1 A 214 214 GLY HA2 H 220 5.469 4.148 1.321 1 1 2424 . 3 1 1 A 214 214 GLY HA3 H 220 3.719 4.166 -0.447 1 1 2425 . 3 1 1 A 214 214 GLY C C 220 173.926 172.966 0.960 1 1 2426 . 3 1 1 A 214 214 GLY CA C 220 44.536 44.111 0.425 1 1 2427 . 3 1 1 A 214 214 GLY N N 220 107.019 111.998 -4.979 1 1 2428 . 3 1 1 A 215 215 SER H H 221 8.678 8.321 0.357 1 1 2429 . 3 1 1 A 215 215 SER HA H 221 5.460 5.459 0.001 1 1 2432 . 3 1 1 A 215 215 SER C C 221 171.043 172.891 -1.848 1 1 2433 . 3 1 1 A 215 215 SER CA C 221 56.810 57.173 -0.363 1 1 2434 . 3 1 1 A 215 215 SER CB C 221 66.671 66.363 0.308 1 1 2435 . 3 1 1 A 215 215 SER N N 221 117.334 113.713 3.621 1 1 2436 . 3 1 1 A 216 216 TYR H H 222 8.958 9.207 -0.249 1 1 2437 . 3 1 1 A 216 216 TYR HA H 222 5.389 5.629 -0.240 1 1 2445 . 3 1 1 A 216 216 TYR C C 222 172.789 172.972 -0.183 1 1 2446 . 3 1 1 A 216 216 TYR CA C 222 55.819 55.540 0.279 1 1 2447 . 3 1 1 A 216 216 TYR CB C 222 41.681 42.031 -0.350 1 1 2448 . 3 1 1 A 216 216 TYR N N 222 117.645 119.111 -1.466 1 1 2449 . 3 1 1 A 217 217 SER H H 223 8.837 9.225 -0.388 1 1 2450 . 3 1 1 A 217 217 SER HA H 223 5.165 5.217 -0.052 1 1 2453 . 3 1 1 A 217 217 SER C C 223 173.125 173.141 -0.016 1 1 2454 . 3 1 1 A 217 217 SER CA C 223 56.600 56.759 -0.159 1 1 2455 . 3 1 1 A 217 217 SER CB C 223 64.500 66.224 -1.724 1 1 2456 . 3 1 1 A 217 217 SER N N 223 115.593 114.318 1.275 1 1 2457 . 3 1 1 A 218 218 LEU H H 224 9.299 8.570 0.729 1 1 2458 . 3 1 1 A 218 218 LEU HA H 224 4.748 4.920 -0.172 1 1 2468 . 3 1 1 A 218 218 LEU C C 224 175.567 175.000 0.567 1 1 2469 . 3 1 1 A 218 218 LEU CA C 224 53.138 53.396 -0.258 1 1 2470 . 3 1 1 A 218 218 LEU CB C 224 46.255 45.513 0.742 1 1 2474 . 3 1 1 A 218 218 LEU N N 224 123.523 121.062 2.461 1 1 2475 . 3 1 1 A 219 219 GLY H H 225 9.041 8.523 0.518 1 1 2476 . 3 1 1 A 219 219 GLY HA2 H 225 4.620 4.015 0.605 1 1 2477 . 3 1 1 A 219 219 GLY HA3 H 225 3.413 4.110 -0.697 1 1 2478 . 3 1 1 A 219 219 GLY C C 225 171.514 171.484 0.030 1 1 2479 . 3 1 1 A 219 219 GLY CA C 225 43.777 43.565 0.212 1 1 2480 . 3 1 1 A 219 219 GLY N N 225 108.999 106.284 2.715 1 1 2481 . 3 1 1 A 220 220 ILE H H 226 6.853 8.438 -1.585 1 1 2482 . 3 1 1 A 220 220 ILE HA H 226 4.615 4.402 0.213 1 1 2492 . 3 1 1 A 220 220 ILE C C 226 174.750 175.495 -0.745 1 1 2493 . 3 1 1 A 220 220 ILE CA C 226 60.421 60.690 -0.269 1 1 2494 . 3 1 1 A 220 220 ILE CB C 226 38.213 38.325 -0.112 1 1 2498 . 3 1 1 A 220 220 ILE N N 226 120.223 121.979 -1.756 1 1 2499 . 3 1 1 A 221 221 PHE H H 227 9.392 8.854 0.538 1 1 2500 . 3 1 1 A 221 221 PHE HA H 227 4.770 5.069 -0.299 1 1 2507 . 3 1 1 A 221 221 PHE C C 227 175.093 175.339 -0.246 1 1 2508 . 3 1 1 A 221 221 PHE CA C 227 58.053 56.798 1.255 1 1 2509 . 3 1 1 A 221 221 PHE CB C 227 42.505 42.327 0.178 1 1 2510 . 3 1 1 A 221 221 PHE N N 227 128.229 124.847 3.382 1 1 2511 . 3 1 1 A 222 222 GLY H H 228 8.675 8.689 -0.014 1 1 2512 . 3 1 1 A 222 222 GLY HA2 H 228 3.174 4.039 -0.865 1 1 2513 . 3 1 1 A 222 222 GLY HA3 H 228 4.311 4.079 0.232 1 1 2514 . 3 1 1 A 222 222 GLY CA C 228 42.438 44.643 -2.205 1 1 2515 . 3 1 1 A 222 222 GLY N N 228 104.634 111.308 -6.674 1 1 2516 . 3 1 1 A 223 223 GLY CA C 229 46.870 47.070 -0.200 1 1 2517 . 3 1 1 A 224 224 LYS H H 230 8.366 7.531 0.835 1 1 2518 . 3 1 1 A 224 224 LYS HA H 230 4.305 4.573 -0.268 1 1 2523 . 3 1 1 A 224 224 LYS C C 230 174.717 175.439 -0.722 1 1 2524 . 3 1 1 A 224 224 LYS CA C 230 54.119 55.024 -0.905 1 1 2525 . 3 1 1 A 224 224 LYS CB C 230 30.821 32.365 -1.544 1 1 2527 . 3 1 1 A 224 224 LYS N N 230 118.720 118.165 0.555 1 1 2528 . 3 1 1 A 225 225 ALA H H 231 7.633 8.102 -0.469 1 1 2529 . 3 1 1 A 225 225 ALA HA H 231 3.810 4.226 -0.416 1 1 2533 . 3 1 1 A 225 225 ALA C C 231 176.702 177.239 -0.537 1 1 2534 . 3 1 1 A 225 225 ALA CA C 231 51.868 53.211 -1.343 1 1 2535 . 3 1 1 A 225 225 ALA CB C 231 16.117 17.112 -0.995 1 1 2536 . 3 1 1 A 225 225 ALA N N 231 118.077 120.153 -2.076 1 1 2537 . 3 1 1 A 226 226 GLN H H 232 9.387 8.052 1.335 1 1 2538 . 3 1 1 A 226 226 GLN HA H 232 3.877 4.371 -0.494 1 1 2543 . 3 1 1 A 226 226 GLN C C 232 175.992 176.203 -0.211 1 1 2544 . 3 1 1 A 226 226 GLN CA C 232 60.989 57.961 3.028 1 1 2545 . 3 1 1 A 226 226 GLN CB C 232 28.695 29.512 -0.817 1 1 2547 . 3 1 1 A 226 226 GLN N N 232 117.991 114.911 3.080 1 1 2548 . 3 1 1 A 227 227 GLU H H 233 8.825 7.496 1.329 1 1 2549 . 3 1 1 A 227 227 GLU HA H 233 5.411 4.946 0.465 1 1 2554 . 3 1 1 A 227 227 GLU C C 233 174.939 173.916 1.023 1 1 2555 . 3 1 1 A 227 227 GLU CA C 233 54.289 55.632 -1.343 1 1 2556 . 3 1 1 A 227 227 GLU CB C 233 33.797 32.263 1.534 1 1 2558 . 3 1 1 A 227 227 GLU N N 233 116.638 114.030 2.608 1 1 2559 . 3 1 1 A 228 228 VAL H H 234 8.343 8.336 0.007 1 1 2560 . 3 1 1 A 228 228 VAL HA H 234 5.544 4.977 0.567 1 1 2568 . 3 1 1 A 228 228 VAL C C 234 174.839 174.358 0.481 1 1 2569 . 3 1 1 A 228 228 VAL CA C 234 57.867 59.929 -2.062 1 1 2570 . 3 1 1 A 228 228 VAL CB C 234 35.379 35.680 -0.301 1 1 2573 . 3 1 1 A 228 228 VAL N N 234 109.304 117.732 -8.428 1 1 2574 . 3 1 1 A 229 229 ALA H H 235 8.475 8.352 0.123 1 1 2575 . 3 1 1 A 229 229 ALA HA H 235 4.937 4.989 -0.052 1 1 2579 . 3 1 1 A 229 229 ALA C C 235 176.417 175.955 0.462 1 1 2580 . 3 1 1 A 229 229 ALA CA C 235 51.303 51.199 0.104 1 1 2581 . 3 1 1 A 229 229 ALA CB C 235 20.301 23.191 -2.890 1 1 2582 . 3 1 1 A 229 229 ALA N N 235 120.653 123.995 -3.342 1 1 2583 . 3 1 1 A 230 230 GLY H H 236 9.361 7.971 1.390 1 1 2584 . 3 1 1 A 230 230 GLY HA2 H 236 5.075 4.215 0.860 1 1 2585 . 3 1 1 A 230 230 GLY HA3 H 236 4.017 4.253 -0.236 1 1 2586 . 3 1 1 A 230 230 GLY C C 236 170.130 171.348 -1.218 1 1 2587 . 3 1 1 A 230 230 GLY CA C 236 46.221 45.993 0.228 1 1 2588 . 3 1 1 A 230 230 GLY N N 236 111.104 106.146 4.958 1 1 2589 . 3 1 1 A 231 231 SER H H 237 8.889 8.719 0.170 1 1 2590 . 3 1 1 A 231 231 SER HA H 237 5.276 5.074 0.202 1 1 2593 . 3 1 1 A 231 231 SER C C 237 171.360 172.601 -1.241 1 1 2594 . 3 1 1 A 231 231 SER CA C 237 56.498 57.538 -1.040 1 1 2595 . 3 1 1 A 231 231 SER CB C 237 66.398 64.971 1.427 1 1 2596 . 3 1 1 A 231 231 SER N N 237 115.308 115.715 -0.407 1 1 2597 . 3 1 1 A 232 232 ALA H H 238 9.083 9.032 0.051 1 1 2598 . 3 1 1 A 232 232 ALA HA H 238 5.148 5.395 -0.247 1 1 2602 . 3 1 1 A 232 232 ALA C C 238 174.537 175.631 -1.094 1 1 2603 . 3 1 1 A 232 232 ALA CA C 238 49.904 50.070 -0.166 1 1 2604 . 3 1 1 A 232 232 ALA CB C 238 21.729 22.697 -0.968 1 1 2605 . 3 1 1 A 232 232 ALA N N 238 119.911 124.778 -4.867 1 1 2606 . 3 1 1 A 233 233 GLU H H 239 9.015 9.002 0.013 1 1 2607 . 3 1 1 A 233 233 GLU HA H 239 4.631 5.207 -0.576 1 1 2612 . 3 1 1 A 233 233 GLU C C 239 174.122 174.329 -0.207 1 1 2613 . 3 1 1 A 233 233 GLU CA C 239 54.786 54.865 -0.079 1 1 2614 . 3 1 1 A 233 233 GLU CB C 239 31.355 31.805 -0.450 1 1 2616 . 3 1 1 A 233 233 GLU N N 239 122.744 122.213 0.531 1 1 2617 . 3 1 1 A 234 234 VAL H H 240 8.792 8.932 -0.140 1 1 2618 . 3 1 1 A 234 234 VAL HA H 240 4.394 4.787 -0.393 1 1 2623 . 3 1 1 A 234 234 VAL C C 240 174.833 174.860 -0.027 1 1 2624 . 3 1 1 A 234 234 VAL CA C 240 61.427 59.779 1.648 1 1 2625 . 3 1 1 A 234 234 VAL CB C 240 33.863 33.955 -0.092 1 1 2627 . 3 1 1 A 234 234 VAL N N 240 124.203 124.516 -0.313 1 1 2628 . 3 1 1 A 235 235 LYS H H 241 8.841 8.612 0.229 1 1 2629 . 3 1 1 A 235 235 LYS HA H 241 3.981 4.849 -0.868 1 1 2638 . 3 1 1 A 235 235 LYS C C 241 174.548 175.475 -0.927 1 1 2639 . 3 1 1 A 235 235 LYS CA C 241 55.955 55.232 0.723 1 1 2640 . 3 1 1 A 235 235 LYS CB C 241 32.100 33.848 -1.748 1 1 2644 . 3 1 1 A 235 235 LYS N N 241 127.554 126.305 1.249 1 1 2645 . 3 1 1 A 236 236 THR H H 242 7.212 8.540 -1.328 1 1 2646 . 3 1 1 A 236 236 THR HA H 242 4.355 4.783 -0.428 1 1 2651 . 3 1 1 A 236 236 THR C C 242 176.482 174.972 1.510 1 1 2652 . 3 1 1 A 236 236 THR CA C 242 61.054 59.774 1.280 1 1 2653 . 3 1 1 A 236 236 THR CB C 242 72.642 72.046 0.596 1 1 2655 . 3 1 1 A 236 236 THR N N 242 114.463 111.935 2.528 1 1 2656 . 3 1 1 A 237 237 VAL H H 243 9.582 8.732 0.850 1 1 2657 . 3 1 1 A 237 237 VAL HA H 243 3.849 3.947 -0.098 1 1 2665 . 3 1 1 A 237 237 VAL C C 243 176.201 177.451 -1.250 1 1 2666 . 3 1 1 A 237 237 VAL CA C 243 64.701 64.921 -0.220 1 1 2667 . 3 1 1 A 237 237 VAL CB C 243 31.028 31.730 -0.702 1 1 2669 . 3 1 1 A 237 237 VAL N N 243 120.670 121.631 -0.961 1 1 2670 . 3 1 1 A 238 238 ASN H H 244 7.572 7.742 -0.170 1 1 2671 . 3 1 1 A 238 238 ASN HA H 244 4.882 4.699 0.183 1 1 2676 . 3 1 1 A 238 238 ASN C C 244 173.835 175.827 -1.992 1 1 2677 . 3 1 1 A 238 238 ASN CA C 244 52.022 53.172 -1.150 1 1 2678 . 3 1 1 A 238 238 ASN CB C 244 39.176 38.938 0.238 1 1 2679 . 3 1 1 A 238 238 ASN N N 244 115.638 117.641 -2.003 1 1 2681 . 3 1 1 A 239 239 GLY H H 245 7.362 7.994 -0.632 1 1 2682 . 3 1 1 A 239 239 GLY HA2 H 245 4.539 4.099 0.440 1 1 2683 . 3 1 1 A 239 239 GLY HA3 H 245 3.728 4.111 -0.383 1 1 2684 . 3 1 1 A 239 239 GLY C C 245 174.343 173.218 1.125 1 1 2685 . 3 1 1 A 239 239 GLY CA C 245 43.316 45.059 -1.743 1 1 2686 . 3 1 1 A 239 239 GLY N N 245 107.650 106.581 1.069 1 1 2687 . 3 1 1 A 240 240 ILE H H 246 8.672 8.290 0.382 1 1 2688 . 3 1 1 A 240 240 ILE HA H 246 4.351 4.761 -0.410 1 1 2698 . 3 1 1 A 240 240 ILE C C 246 176.899 174.357 2.542 1 1 2699 . 3 1 1 A 240 240 ILE CA C 246 61.120 60.664 0.456 1 1 2700 . 3 1 1 A 240 240 ILE CB C 246 36.906 39.583 -2.677 1 1 2704 . 3 1 1 A 240 240 ILE N N 246 122.673 122.362 0.311 1 1 2705 . 3 1 1 A 241 241 ARG H H 247 9.233 8.656 0.577 1 1 2706 . 3 1 1 A 241 241 ARG HA H 247 4.370 5.206 -0.836 1 1 2713 . 3 1 1 A 241 241 ARG C C 247 173.925 174.461 -0.536 1 1 2714 . 3 1 1 A 241 241 ARG CA C 247 53.461 54.373 -0.912 1 1 2715 . 3 1 1 A 241 241 ARG CB C 247 31.910 34.158 -2.248 1 1 2718 . 3 1 1 A 241 241 ARG N N 247 128.497 128.036 0.461 1 1 2719 . 3 1 1 A 242 242 HIS H H 248 8.519 8.955 -0.436 1 1 2720 . 3 1 1 A 242 242 HIS HA H 248 5.323 5.341 -0.018 1 1 2725 . 3 1 1 A 242 242 HIS C C 248 174.635 174.693 -0.058 1 1 2726 . 3 1 1 A 242 242 HIS CA C 248 55.759 54.583 1.176 1 1 2727 . 3 1 1 A 242 242 HIS CB C 248 32.921 32.276 0.645 1 1 2728 . 3 1 1 A 242 242 HIS N N 248 121.131 123.002 -1.871 1 1 2729 . 3 1 1 A 243 243 ILE H H 249 8.723 9.241 -0.518 1 1 2730 . 3 1 1 A 243 243 ILE HA H 249 4.522 4.563 -0.041 1 1 2740 . 3 1 1 A 243 243 ILE C C 249 176.188 175.638 0.550 1 1 2741 . 3 1 1 A 243 243 ILE CA C 249 58.524 59.768 -1.244 1 1 2742 . 3 1 1 A 243 243 ILE CB C 249 41.977 41.155 0.822 1 1 2746 . 3 1 1 A 243 243 ILE N N 249 119.438 123.592 -4.154 1 1 2747 . 3 1 1 A 244 244 GLY H H 250 9.351 8.413 0.938 1 1 2748 . 3 1 1 A 244 244 GLY HA2 H 250 3.707 2.996 0.711 1 1 2749 . 3 1 1 A 244 244 GLY HA3 H 250 2.119 3.828 -1.709 1 1 2750 . 3 1 1 A 244 244 GLY C C 250 170.981 172.246 -1.265 1 1 2751 . 3 1 1 A 244 244 GLY CA C 250 44.178 44.842 -0.664 1 1 2752 . 3 1 1 A 244 244 GLY N N 250 113.700 114.854 -1.154 1 1 2753 . 3 1 1 A 245 245 LEU H H 251 7.833 8.626 -0.793 1 1 2754 . 3 1 1 A 245 245 LEU HA H 251 4.717 4.937 -0.220 1 1 2764 . 3 1 1 A 245 245 LEU C C 251 174.501 175.960 -1.459 1 1 2765 . 3 1 1 A 245 245 LEU CA C 251 52.508 53.734 -1.226 1 1 2766 . 3 1 1 A 245 245 LEU CB C 251 46.764 43.475 3.289 1 1 2770 . 3 1 1 A 245 245 LEU N N 251 120.798 124.531 -3.733 1 1 2771 . 3 1 1 A 246 246 ALA H H 252 7.906 8.725 -0.819 1 1 2772 . 3 1 1 A 246 246 ALA HA H 252 4.589 4.893 -0.304 1 1 2776 . 3 1 1 A 246 246 ALA C C 252 173.363 175.774 -2.411 1 1 2777 . 3 1 1 A 246 246 ALA CA C 252 51.546 51.532 0.014 1 1 2778 . 3 1 1 A 246 246 ALA CB C 252 21.524 19.885 1.639 1 1 2779 . 3 1 1 A 246 246 ALA N N 252 122.885 124.646 -1.761 1 1 2780 . 3 1 1 A 247 247 ALA H H 253 9.041 8.981 0.060 1 1 2781 . 3 1 1 A 247 247 ALA HA H 253 4.726 5.445 -0.719 1 1 2785 . 3 1 1 A 247 247 ALA C C 253 174.897 175.387 -0.490 1 1 2786 . 3 1 1 A 247 247 ALA CA C 253 51.723 50.651 1.072 1 1 2787 . 3 1 1 A 247 247 ALA CB C 253 22.967 23.668 -0.701 1 1 2788 . 3 1 1 A 247 247 ALA N N 253 122.967 126.066 -3.099 1 1 2789 . 3 1 1 A 248 248 LYS H H 254 8.171 8.561 -0.390 1 1 2790 . 3 1 1 A 248 248 LYS HA H 254 5.731 4.886 0.845 1 1 2797 . 3 1 1 A 248 248 LYS C C 254 175.094 174.665 0.429 1 1 2798 . 3 1 1 A 248 248 LYS CA C 254 53.866 55.375 -1.509 1 1 2799 . 3 1 1 A 248 248 LYS CB C 254 36.312 36.697 -0.385 1 1 2802 . 3 1 1 A 248 248 LYS N N 254 115.734 120.112 -4.378 1 1 60 . 4 1 1 A 9 9 GLY H H 15 8.346 8.824 -0.478 1 1 61 . 4 1 1 A 9 9 GLY HA2 H 15 4.021 3.875 0.146 1 1 62 . 4 1 1 A 9 9 GLY HA3 H 15 3.772 3.877 -0.105 1 1 63 . 4 1 1 A 9 9 GLY C C 15 174.259 175.465 -1.206 1 1 64 . 4 1 1 A 9 9 GLY CA C 15 45.581 46.561 -0.980 1 1 65 . 4 1 1 A 9 9 GLY N N 15 107.368 111.328 -3.960 1 1 66 . 4 1 1 A 10 10 LEU H H 16 7.224 7.838 -0.614 1 1 67 . 4 1 1 A 10 10 LEU HA H 16 3.736 4.093 -0.357 1 1 77 . 4 1 1 A 10 10 LEU C C 16 178.202 179.182 -0.980 1 1 78 . 4 1 1 A 10 10 LEU CA C 16 57.915 57.328 0.587 1 1 79 . 4 1 1 A 10 10 LEU CB C 16 40.686 41.199 -0.513 1 1 83 . 4 1 1 A 10 10 LEU N N 16 117.616 123.256 -5.640 1 1 84 . 4 1 1 A 11 11 ALA H H 17 7.860 7.979 -0.119 1 1 85 . 4 1 1 A 11 11 ALA HA H 17 3.937 4.045 -0.108 1 1 89 . 4 1 1 A 11 11 ALA C C 17 181.090 178.776 2.314 1 1 90 . 4 1 1 A 11 11 ALA CA C 17 54.860 55.286 -0.426 1 1 91 . 4 1 1 A 11 11 ALA CB C 17 17.248 17.778 -0.530 1 1 92 . 4 1 1 A 11 11 ALA N N 17 117.757 122.221 -4.464 1 1 93 . 4 1 1 A 12 12 ASP H H 18 8.017 8.351 -0.334 1 1 94 . 4 1 1 A 12 12 ASP HA H 18 4.223 4.348 -0.125 1 1 97 . 4 1 1 A 12 12 ASP C C 18 177.941 178.110 -0.169 1 1 98 . 4 1 1 A 12 12 ASP CA C 18 56.341 56.324 0.017 1 1 99 . 4 1 1 A 12 12 ASP CB C 18 39.312 41.313 -2.001 1 1 100 . 4 1 1 A 12 12 ASP N N 18 118.410 118.415 -0.005 1 1 101 . 4 1 1 A 13 13 ALA H H 19 8.205 7.906 0.299 1 1 102 . 4 1 1 A 13 13 ALA HA H 19 3.952 4.351 -0.399 1 1 106 . 4 1 1 A 13 13 ALA C C 19 178.856 178.060 0.796 1 1 107 . 4 1 1 A 13 13 ALA CA C 19 55.039 54.143 0.896 1 1 108 . 4 1 1 A 13 13 ALA CB C 19 17.779 18.530 -0.751 1 1 109 . 4 1 1 A 13 13 ALA N N 19 121.480 120.579 0.901 1 1 110 . 4 1 1 A 14 14 LEU H H 20 7.217 7.356 -0.139 1 1 111 . 4 1 1 A 14 14 LEU HA H 20 4.258 4.365 -0.107 1 1 121 . 4 1 1 A 14 14 LEU C C 20 177.544 178.260 -0.716 1 1 122 . 4 1 1 A 14 14 LEU CA C 20 55.511 55.557 -0.046 1 1 123 . 4 1 1 A 14 14 LEU CB C 20 42.176 42.559 -0.383 1 1 126 . 4 1 1 A 14 14 LEU N N 20 113.410 115.848 -2.438 1 1 127 . 4 1 1 A 15 15 THR H H 21 7.624 7.417 0.207 1 1 128 . 4 1 1 A 15 15 THR HA H 21 4.394 4.392 0.002 1 1 133 . 4 1 1 A 15 15 THR C C 21 174.959 174.878 0.081 1 1 134 . 4 1 1 A 15 15 THR CA C 21 61.733 62.600 -0.867 1 1 135 . 4 1 1 A 15 15 THR CB C 21 71.514 69.426 2.088 1 1 137 . 4 1 1 A 15 15 THR N N 21 106.072 106.729 -0.657 1 1 138 . 4 1 1 A 16 16 ALA H H 22 8.932 7.574 1.358 1 1 139 . 4 1 1 A 16 16 ALA HA H 22 4.624 4.781 -0.157 1 1 143 . 4 1 1 A 16 16 ALA C C 22 175.978 175.047 0.931 1 1 144 . 4 1 1 A 16 16 ALA CA C 22 50.681 50.100 0.581 1 1 145 . 4 1 1 A 16 16 ALA CB C 22 18.728 22.223 -3.495 1 1 146 . 4 1 1 A 16 16 ALA N N 22 127.789 121.644 6.145 1 1 147 . 4 1 1 A 17 17 PRO HA H 23 4.430 4.653 -0.223 1 1 154 . 4 1 1 A 17 17 PRO CA C 23 61.497 62.056 -0.559 1 1 155 . 4 1 1 A 17 17 PRO CB C 23 31.775 32.850 -1.075 1 1 158 . 4 1 1 A 18 18 LEU H H 24 8.154 8.826 -0.672 1 1 159 . 4 1 1 A 18 18 LEU HA H 24 3.894 4.321 -0.427 1 1 169 . 4 1 1 A 18 18 LEU C C 24 176.447 176.749 -0.302 1 1 170 . 4 1 1 A 18 18 LEU CA C 24 55.510 56.807 -1.297 1 1 171 . 4 1 1 A 18 18 LEU CB C 24 40.921 42.700 -1.779 1 1 175 . 4 1 1 A 18 18 LEU N N 24 121.010 120.089 0.921 1 1 176 . 4 1 1 A 19 19 ASP H H 25 8.758 7.816 0.942 1 1 177 . 4 1 1 A 19 19 ASP HA H 25 4.626 5.020 -0.394 1 1 180 . 4 1 1 A 19 19 ASP C C 25 176.425 174.772 1.653 1 1 181 . 4 1 1 A 19 19 ASP CA C 25 52.688 53.068 -0.380 1 1 182 . 4 1 1 A 19 19 ASP CB C 25 42.819 42.831 -0.012 1 1 183 . 4 1 1 A 19 19 ASP N N 25 124.654 117.531 7.123 1 1 184 . 4 1 1 A 20 20 HIS HA H 26 4.272 4.735 -0.463 1 1 189 . 4 1 1 A 20 20 HIS CA C 26 58.100 56.195 1.905 1 1 190 . 4 1 1 A 20 20 HIS CB C 26 29.200 29.927 -0.727 1 1 191 . 4 1 1 A 21 21 LYS H H 27 8.348 8.871 -0.523 1 1 192 . 4 1 1 A 21 21 LYS HA H 27 3.970 3.793 0.177 1 1 201 . 4 1 1 A 21 21 LYS C C 27 177.393 176.794 0.599 1 1 202 . 4 1 1 A 21 21 LYS CA C 27 56.320 56.980 -0.660 1 1 203 . 4 1 1 A 21 21 LYS CB C 27 30.950 31.065 -0.115 1 1 206 . 4 1 1 A 21 21 LYS N N 27 118.419 125.045 -6.626 1 1 207 . 4 1 1 A 22 22 ASP H H 28 7.451 8.382 -0.931 1 1 208 . 4 1 1 A 22 22 ASP HA H 28 4.307 4.276 0.031 1 1 211 . 4 1 1 A 22 22 ASP C C 28 176.212 177.075 -0.863 1 1 212 . 4 1 1 A 22 22 ASP CA C 28 54.164 57.178 -3.014 1 1 213 . 4 1 1 A 22 22 ASP CB C 28 40.091 41.424 -1.333 1 1 214 . 4 1 1 A 22 22 ASP N N 28 120.045 124.964 -4.919 1 1 215 . 4 1 1 A 23 23 LYS H H 29 8.416 7.707 0.709 1 1 216 . 4 1 1 A 23 23 LYS HA H 29 3.962 4.500 -0.538 1 1 225 . 4 1 1 A 23 23 LYS C C 29 177.409 176.096 1.313 1 1 226 . 4 1 1 A 23 23 LYS CA C 29 56.254 56.674 -0.420 1 1 227 . 4 1 1 A 23 23 LYS CB C 29 31.950 34.760 -2.810 1 1 231 . 4 1 1 A 23 23 LYS N N 29 121.925 114.329 7.596 1 1 232 . 4 1 1 A 24 24 GLY H H 30 8.612 8.100 0.512 1 1 233 . 4 1 1 A 24 24 GLY HA2 H 30 3.655 4.104 -0.449 1 1 234 . 4 1 1 A 24 24 GLY HA3 H 30 3.519 4.118 -0.599 1 1 235 . 4 1 1 A 24 24 GLY CA C 30 44.788 44.908 -0.120 1 1 236 . 4 1 1 A 24 24 GLY N N 30 111.487 109.425 2.062 1 1 237 . 4 1 1 A 25 25 LEU H H 31 8.054 8.439 -0.385 1 1 238 . 4 1 1 A 25 25 LEU HA H 31 3.770 4.419 -0.649 1 1 248 . 4 1 1 A 25 25 LEU CA C 31 55.906 55.220 0.686 1 1 249 . 4 1 1 A 25 25 LEU CB C 31 44.428 42.526 1.902 1 1 253 . 4 1 1 A 25 25 LEU N N 31 127.196 123.059 4.137 1 1 254 . 4 1 1 A 26 26 GLN H H 32 9.184 8.994 0.190 1 1 255 . 4 1 1 A 26 26 GLN HA H 32 3.437 4.666 -1.229 1 1 262 . 4 1 1 A 26 26 GLN C C 32 174.347 175.164 -0.817 1 1 263 . 4 1 1 A 26 26 GLN CA C 32 57.926 55.831 2.095 1 1 264 . 4 1 1 A 26 26 GLN CB C 32 27.721 31.090 -3.369 1 1 266 . 4 1 1 A 26 26 GLN N N 32 131.782 123.502 8.280 1 1 268 . 4 1 1 A 27 27 SER H H 33 7.240 7.860 -0.620 1 1 269 . 4 1 1 A 27 27 SER HA H 33 4.981 5.069 -0.088 1 1 272 . 4 1 1 A 27 27 SER C C 33 171.111 172.370 -1.259 1 1 273 . 4 1 1 A 27 27 SER CA C 33 56.782 57.257 -0.475 1 1 274 . 4 1 1 A 27 27 SER CB C 33 64.611 66.066 -1.455 1 1 275 . 4 1 1 A 27 27 SER N N 33 108.936 112.425 -3.489 1 1 276 . 4 1 1 A 28 28 LEU H H 34 8.010 8.805 -0.795 1 1 277 . 4 1 1 A 28 28 LEU HA H 34 4.372 4.829 -0.457 1 1 287 . 4 1 1 A 28 28 LEU C C 34 174.697 175.819 -1.122 1 1 288 . 4 1 1 A 28 28 LEU CA C 34 53.332 53.773 -0.441 1 1 289 . 4 1 1 A 28 28 LEU CB C 34 45.636 43.272 2.364 1 1 293 . 4 1 1 A 28 28 LEU N N 34 121.826 124.322 -2.496 1 1 294 . 4 1 1 A 29 29 THR H H 35 8.810 8.683 0.127 1 1 295 . 4 1 1 A 29 29 THR HA H 35 4.046 4.295 -0.249 1 1 300 . 4 1 1 A 29 29 THR C C 35 172.792 174.390 -1.598 1 1 301 . 4 1 1 A 29 29 THR CA C 35 62.565 63.963 -1.398 1 1 302 . 4 1 1 A 29 29 THR CB C 35 68.233 68.849 -0.616 1 1 304 . 4 1 1 A 29 29 THR N N 35 123.892 123.064 0.828 1 1 305 . 4 1 1 A 30 30 LEU H H 36 8.662 8.918 -0.256 1 1 306 . 4 1 1 A 30 30 LEU HA H 36 4.150 4.735 -0.585 1 1 316 . 4 1 1 A 30 30 LEU C C 36 174.707 176.149 -1.442 1 1 317 . 4 1 1 A 30 30 LEU CA C 36 53.789 54.499 -0.710 1 1 318 . 4 1 1 A 30 30 LEU CB C 36 40.562 41.559 -0.997 1 1 322 . 4 1 1 A 30 30 LEU N N 36 128.365 127.349 1.016 1 1 323 . 4 1 1 A 31 31 ASP H H 37 8.500 8.886 -0.386 1 1 324 . 4 1 1 A 31 31 ASP HA H 37 4.837 4.900 -0.063 1 1 327 . 4 1 1 A 31 31 ASP CA C 37 54.657 55.702 -1.045 1 1 328 . 4 1 1 A 31 31 ASP CB C 37 43.089 42.362 0.727 1 1 329 . 4 1 1 A 31 31 ASP N N 37 123.194 126.144 -2.950 1 1 330 . 4 1 1 A 32 32 GLN H H 38 10.453 8.259 2.194 1 1 331 . 4 1 1 A 32 32 GLN HA H 38 3.808 4.139 -0.331 1 1 338 . 4 1 1 A 32 32 GLN C C 38 178.535 178.418 0.117 1 1 339 . 4 1 1 A 32 32 GLN CA C 38 56.284 57.785 -1.501 1 1 340 . 4 1 1 A 32 32 GLN CB C 38 28.175 28.593 -0.418 1 1 342 . 4 1 1 A 32 32 GLN N N 38 120.692 117.544 3.148 1 1 344 . 4 1 1 A 33 33 SER H H 39 8.523 8.008 0.515 1 1 345 . 4 1 1 A 33 33 SER HA H 39 4.081 4.270 -0.189 1 1 348 . 4 1 1 A 33 33 SER C C 39 171.792 174.344 -2.552 1 1 349 . 4 1 1 A 33 33 SER CA C 39 61.436 61.576 -0.140 1 1 350 . 4 1 1 A 33 33 SER CB C 39 63.008 63.052 -0.044 1 1 351 . 4 1 1 A 33 33 SER N N 39 111.712 113.540 -1.828 1 1 352 . 4 1 1 A 34 34 VAL H H 40 6.691 7.906 -1.215 1 1 353 . 4 1 1 A 34 34 VAL HA H 40 3.890 4.786 -0.896 1 1 361 . 4 1 1 A 34 34 VAL C C 40 172.251 174.234 -1.983 1 1 362 . 4 1 1 A 34 34 VAL CA C 40 60.415 59.784 0.631 1 1 363 . 4 1 1 A 34 34 VAL CB C 40 32.306 35.666 -3.360 1 1 366 . 4 1 1 A 34 34 VAL N N 40 115.971 118.577 -2.606 1 1 367 . 4 1 1 A 35 35 ARG H H 41 8.184 8.605 -0.421 1 1 368 . 4 1 1 A 35 35 ARG HA H 41 4.176 4.588 -0.412 1 1 375 . 4 1 1 A 35 35 ARG C C 41 176.886 176.871 0.015 1 1 376 . 4 1 1 A 35 35 ARG CA C 41 55.599 55.169 0.430 1 1 377 . 4 1 1 A 35 35 ARG CB C 41 30.569 31.624 -1.055 1 1 380 . 4 1 1 A 35 35 ARG N N 41 125.397 125.096 0.301 1 1 381 . 4 1 1 A 36 36 LYS H H 42 8.493 8.771 -0.278 1 1 382 . 4 1 1 A 36 36 LYS HA H 42 3.778 4.465 -0.687 1 1 391 . 4 1 1 A 36 36 LYS C C 42 176.596 176.847 -0.251 1 1 392 . 4 1 1 A 36 36 LYS CA C 42 58.687 57.104 1.583 1 1 393 . 4 1 1 A 36 36 LYS CB C 42 31.959 32.268 -0.309 1 1 397 . 4 1 1 A 36 36 LYS N N 42 119.360 120.955 -1.595 1 1 398 . 4 1 1 A 37 37 ASN H H 43 8.513 7.759 0.754 1 1 399 . 4 1 1 A 37 37 ASN HA H 43 4.438 4.806 -0.368 1 1 404 . 4 1 1 A 37 37 ASN C C 43 173.867 174.941 -1.074 1 1 405 . 4 1 1 A 37 37 ASN CA C 43 55.127 54.079 1.048 1 1 406 . 4 1 1 A 37 37 ASN CB C 43 37.071 41.056 -3.985 1 1 407 . 4 1 1 A 37 37 ASN N N 43 115.488 114.674 0.814 1 1 409 . 4 1 1 A 38 38 GLU H H 44 7.793 7.947 -0.154 1 1 410 . 4 1 1 A 38 38 GLU HA H 44 4.772 4.740 0.032 1 1 413 . 4 1 1 A 38 38 GLU C C 44 175.262 175.508 -0.246 1 1 414 . 4 1 1 A 38 38 GLU CA C 44 54.808 54.447 0.361 1 1 415 . 4 1 1 A 38 38 GLU CB C 44 32.321 30.984 1.337 1 1 416 . 4 1 1 A 38 38 GLU N N 44 118.734 117.353 1.381 1 1 417 . 4 1 1 A 39 39 LYS H H 45 8.706 8.756 -0.050 1 1 418 . 4 1 1 A 39 39 LYS HA H 45 4.606 4.816 -0.210 1 1 427 . 4 1 1 A 39 39 LYS C C 45 174.312 174.804 -0.492 1 1 428 . 4 1 1 A 39 39 LYS CA C 45 52.782 55.146 -2.364 1 1 429 . 4 1 1 A 39 39 LYS CB C 45 35.174 34.467 0.707 1 1 433 . 4 1 1 A 39 39 LYS N N 45 117.132 123.090 -5.958 1 1 434 . 4 1 1 A 40 40 LEU H H 46 9.085 8.755 0.330 1 1 435 . 4 1 1 A 40 40 LEU HA H 46 5.044 5.047 -0.003 1 1 442 . 4 1 1 A 40 40 LEU C C 46 173.778 174.404 -0.626 1 1 443 . 4 1 1 A 40 40 LEU CA C 46 52.590 53.090 -0.500 1 1 444 . 4 1 1 A 40 40 LEU CB C 46 44.855 45.609 -0.754 1 1 447 . 4 1 1 A 40 40 LEU N N 46 125.335 126.518 -1.183 1 1 448 . 4 1 1 A 41 41 LYS H H 47 9.263 8.958 0.305 1 1 449 . 4 1 1 A 41 41 LYS HA H 47 5.049 4.909 0.140 1 1 458 . 4 1 1 A 41 41 LYS C C 47 175.616 174.156 1.460 1 1 459 . 4 1 1 A 41 41 LYS CA C 47 53.864 54.770 -0.906 1 1 460 . 4 1 1 A 41 41 LYS CB C 47 32.986 34.597 -1.611 1 1 464 . 4 1 1 A 41 41 LYS N N 47 129.833 126.327 3.506 1 1 465 . 4 1 1 A 42 42 LEU H H 48 8.954 8.929 0.025 1 1 466 . 4 1 1 A 42 42 LEU HA H 48 5.458 5.241 0.217 1 1 476 . 4 1 1 A 42 42 LEU C C 48 175.565 174.914 0.651 1 1 477 . 4 1 1 A 42 42 LEU CA C 48 51.964 53.366 -1.402 1 1 478 . 4 1 1 A 42 42 LEU CB C 48 44.393 45.472 -1.079 1 1 482 . 4 1 1 A 42 42 LEU N N 48 126.292 127.825 -1.533 1 1 483 . 4 1 1 A 43 43 ALA H H 49 8.804 8.660 0.144 1 1 484 . 4 1 1 A 43 43 ALA HA H 49 5.304 5.192 0.112 1 1 488 . 4 1 1 A 43 43 ALA C C 49 176.301 175.787 0.514 1 1 489 . 4 1 1 A 43 43 ALA CA C 49 51.004 51.384 -0.380 1 1 490 . 4 1 1 A 43 43 ALA CB C 49 23.453 23.744 -0.291 1 1 491 . 4 1 1 A 43 43 ALA N N 49 120.789 126.962 -6.173 1 1 492 . 4 1 1 A 44 44 ALA H H 50 8.117 8.506 -0.389 1 1 493 . 4 1 1 A 44 44 ALA HA H 50 4.485 4.601 -0.116 1 1 497 . 4 1 1 A 44 44 ALA C C 50 176.254 176.816 -0.562 1 1 498 . 4 1 1 A 44 44 ALA CA C 50 53.021 51.699 1.322 1 1 499 . 4 1 1 A 44 44 ALA CB C 50 23.682 22.237 1.445 1 1 500 . 4 1 1 A 44 44 ALA N N 50 120.678 120.005 0.673 1 1 501 . 4 1 1 A 45 45 GLN H H 51 9.035 9.383 -0.348 1 1 502 . 4 1 1 A 45 45 GLN HA H 51 3.774 3.939 -0.165 1 1 509 . 4 1 1 A 45 45 GLN C C 51 175.259 174.946 0.313 1 1 510 . 4 1 1 A 45 45 GLN CA C 51 56.074 56.720 -0.646 1 1 511 . 4 1 1 A 45 45 GLN CB C 51 27.339 27.585 -0.246 1 1 513 . 4 1 1 A 45 45 GLN N N 51 116.299 123.001 -6.702 1 1 515 . 4 1 1 A 46 46 GLY H H 52 8.441 8.494 -0.053 1 1 516 . 4 1 1 A 46 46 GLY HA2 H 52 4.066 3.835 0.231 1 1 517 . 4 1 1 A 46 46 GLY HA3 H 52 3.510 3.836 -0.326 1 1 518 . 4 1 1 A 46 46 GLY C C 52 173.050 173.708 -0.658 1 1 519 . 4 1 1 A 46 46 GLY CA C 52 44.998 45.208 -0.210 1 1 520 . 4 1 1 A 46 46 GLY N N 52 105.419 105.395 0.024 1 1 521 . 4 1 1 A 47 47 ALA H H 53 8.152 7.642 0.510 1 1 522 . 4 1 1 A 47 47 ALA HA H 53 4.767 4.685 0.082 1 1 526 . 4 1 1 A 47 47 ALA C C 53 175.989 176.549 -0.560 1 1 527 . 4 1 1 A 47 47 ALA CA C 53 49.918 51.316 -1.398 1 1 528 . 4 1 1 A 47 47 ALA CB C 53 22.720 20.931 1.789 1 1 529 . 4 1 1 A 47 47 ALA N N 53 124.355 123.722 0.633 1 1 530 . 4 1 1 A 48 48 GLU H H 54 8.156 9.102 -0.946 1 1 531 . 4 1 1 A 48 48 GLU HA H 54 5.488 5.434 0.054 1 1 536 . 4 1 1 A 48 48 GLU C C 54 174.224 173.699 0.525 1 1 537 . 4 1 1 A 48 48 GLU CA C 54 54.346 54.955 -0.609 1 1 538 . 4 1 1 A 48 48 GLU CB C 54 34.305 33.708 0.597 1 1 540 . 4 1 1 A 48 48 GLU N N 54 116.655 116.400 0.255 1 1 541 . 4 1 1 A 49 49 LYS H H 55 8.852 9.437 -0.585 1 1 542 . 4 1 1 A 49 49 LYS HA H 55 4.190 5.070 -0.880 1 1 549 . 4 1 1 A 49 49 LYS C C 55 172.887 175.396 -2.509 1 1 550 . 4 1 1 A 49 49 LYS CA C 55 56.414 54.575 1.839 1 1 551 . 4 1 1 A 49 49 LYS CB C 55 34.723 36.353 -1.630 1 1 554 . 4 1 1 A 49 49 LYS N N 55 122.922 122.535 0.387 1 1 555 . 4 1 1 A 50 50 THR H H 56 7.910 8.694 -0.784 1 1 556 . 4 1 1 A 50 50 THR HA H 56 4.908 4.809 0.099 1 1 561 . 4 1 1 A 50 50 THR C C 56 173.112 173.895 -0.783 1 1 562 . 4 1 1 A 50 50 THR CA C 56 61.998 61.303 0.695 1 1 563 . 4 1 1 A 50 50 THR CB C 56 68.596 70.004 -1.408 1 1 565 . 4 1 1 A 50 50 THR N N 56 120.811 116.882 3.929 1 1 566 . 4 1 1 A 51 51 TYR H H 57 9.432 8.726 0.706 1 1 567 . 4 1 1 A 51 51 TYR HA H 57 4.493 5.311 -0.818 1 1 574 . 4 1 1 A 51 51 TYR C C 57 174.156 173.753 0.403 1 1 575 . 4 1 1 A 51 51 TYR CA C 57 57.375 55.803 1.572 1 1 576 . 4 1 1 A 51 51 TYR CB C 57 41.895 42.207 -0.312 1 1 577 . 4 1 1 A 51 51 TYR N N 57 127.372 120.556 6.816 1 1 578 . 4 1 1 A 52 52 GLY H H 58 9.154 8.548 0.606 1 1 579 . 4 1 1 A 52 52 GLY HA2 H 58 3.543 4.179 -0.636 1 1 580 . 4 1 1 A 52 52 GLY HA3 H 58 3.543 4.237 -0.694 1 1 581 . 4 1 1 A 52 52 GLY C C 58 172.527 173.028 -0.501 1 1 582 . 4 1 1 A 52 52 GLY CA C 58 42.304 46.056 -3.752 1 1 583 . 4 1 1 A 52 52 GLY N N 58 108.920 106.791 2.129 1 1 584 . 4 1 1 A 53 53 ASN H H 59 8.877 8.848 0.029 1 1 585 . 4 1 1 A 53 53 ASN HA H 59 4.034 4.633 -0.599 1 1 588 . 4 1 1 A 53 53 ASN C C 59 176.319 175.091 1.228 1 1 589 . 4 1 1 A 53 53 ASN CA C 59 57.108 54.669 2.439 1 1 590 . 4 1 1 A 53 53 ASN CB C 59 39.672 37.103 2.569 1 1 591 . 4 1 1 A 53 53 ASN N N 59 117.281 117.212 0.069 1 1 592 . 4 1 1 A 54 54 GLY H H 60 8.949 8.589 0.360 1 1 593 . 4 1 1 A 54 54 GLY HA2 H 60 4.222 4.095 0.127 1 1 594 . 4 1 1 A 54 54 GLY HA3 H 60 3.348 4.105 -0.757 1 1 595 . 4 1 1 A 54 54 GLY C C 60 174.096 172.178 1.918 1 1 596 . 4 1 1 A 54 54 GLY CA C 60 44.931 45.173 -0.242 1 1 597 . 4 1 1 A 54 54 GLY N N 60 114.860 105.810 9.050 1 1 598 . 4 1 1 A 55 55 ASP H H 61 7.991 8.485 -0.494 1 1 599 . 4 1 1 A 55 55 ASP HA H 61 4.493 4.957 -0.464 1 1 602 . 4 1 1 A 55 55 ASP C C 61 174.727 174.087 0.640 1 1 603 . 4 1 1 A 55 55 ASP CA C 61 54.408 52.976 1.432 1 1 604 . 4 1 1 A 55 55 ASP CB C 61 41.780 43.146 -1.366 1 1 605 . 4 1 1 A 55 55 ASP N N 61 121.974 125.221 -3.247 1 1 606 . 4 1 1 A 56 56 SER H H 62 8.485 8.433 0.052 1 1 607 . 4 1 1 A 56 56 SER HA H 62 4.959 5.304 -0.345 1 1 610 . 4 1 1 A 56 56 SER C C 62 173.099 172.069 1.030 1 1 611 . 4 1 1 A 56 56 SER CA C 62 57.154 57.145 0.009 1 1 612 . 4 1 1 A 56 56 SER CB C 62 64.522 66.516 -1.994 1 1 613 . 4 1 1 A 56 56 SER N N 62 113.088 114.555 -1.467 1 1 614 . 4 1 1 A 57 57 LEU H H 63 9.004 8.323 0.681 1 1 615 . 4 1 1 A 57 57 LEU HA H 63 4.500 4.633 -0.133 1 1 625 . 4 1 1 A 57 57 LEU C C 63 175.943 176.968 -1.025 1 1 626 . 4 1 1 A 57 57 LEU CA C 63 53.070 54.434 -1.364 1 1 627 . 4 1 1 A 57 57 LEU CB C 63 43.800 44.135 -0.335 1 1 630 . 4 1 1 A 57 57 LEU N N 63 126.423 126.773 -0.350 1 1 631 . 4 1 1 A 58 58 ASN H H 64 8.484 8.768 -0.284 1 1 632 . 4 1 1 A 58 58 ASN HA H 64 4.752 4.784 -0.032 1 1 635 . 4 1 1 A 58 58 ASN C C 64 173.916 175.952 -2.036 1 1 636 . 4 1 1 A 58 58 ASN CA C 64 50.587 53.785 -3.198 1 1 637 . 4 1 1 A 58 58 ASN CB C 64 35.153 38.644 -3.491 1 1 638 . 4 1 1 A 58 58 ASN N N 64 125.624 124.189 1.435 1 1 639 . 4 1 1 A 59 59 THR H H 65 7.747 8.604 -0.857 1 1 640 . 4 1 1 A 59 59 THR HA H 65 4.770 4.612 0.158 1 1 645 . 4 1 1 A 59 59 THR C C 65 177.245 174.653 2.592 1 1 646 . 4 1 1 A 59 59 THR CA C 65 63.213 62.173 1.040 1 1 647 . 4 1 1 A 59 59 THR CB C 65 63.510 70.867 -7.357 1 1 649 . 4 1 1 A 59 59 THR N N 65 113.770 114.739 -0.969 1 1 650 . 4 1 1 A 60 60 GLY H H 66 8.869 8.224 0.645 1 1 651 . 4 1 1 A 60 60 GLY HA2 H 66 3.839 3.878 -0.039 1 1 652 . 4 1 1 A 60 60 GLY HA3 H 66 3.724 3.879 -0.155 1 1 653 . 4 1 1 A 60 60 GLY C C 66 173.279 174.600 -1.321 1 1 654 . 4 1 1 A 60 60 GLY CA C 66 44.892 46.028 -1.136 1 1 655 . 4 1 1 A 60 60 GLY N N 66 114.430 110.486 3.944 1 1 656 . 4 1 1 A 61 61 LYS H H 67 6.376 8.833 -2.457 1 1 657 . 4 1 1 A 61 61 LYS HA H 67 4.021 4.517 -0.496 1 1 666 . 4 1 1 A 61 61 LYS C C 67 176.315 176.445 -0.130 1 1 667 . 4 1 1 A 61 61 LYS CA C 67 54.298 54.969 -0.671 1 1 668 . 4 1 1 A 61 61 LYS CB C 67 32.200 31.217 0.983 1 1 672 . 4 1 1 A 61 61 LYS N N 67 112.620 124.101 -11.481 1 1 673 . 4 1 1 A 62 62 LEU H H 68 7.335 7.566 -0.231 1 1 674 . 4 1 1 A 62 62 LEU HA H 68 4.275 3.954 0.321 1 1 684 . 4 1 1 A 62 62 LEU C C 68 176.306 176.231 0.075 1 1 685 . 4 1 1 A 62 62 LEU CA C 68 52.479 58.506 -6.027 1 1 686 . 4 1 1 A 62 62 LEU CB C 68 40.600 42.309 -1.709 1 1 689 . 4 1 1 A 62 62 LEU N N 68 116.704 122.227 -5.523 1 1 690 . 4 1 1 A 63 63 LYS H H 69 8.506 7.816 0.690 1 1 691 . 4 1 1 A 63 63 LYS HA H 69 3.992 4.543 -0.551 1 1 700 . 4 1 1 A 63 63 LYS C C 69 175.886 175.823 0.063 1 1 701 . 4 1 1 A 63 63 LYS CA C 69 54.986 55.941 -0.955 1 1 702 . 4 1 1 A 63 63 LYS CB C 69 32.447 34.763 -2.316 1 1 706 . 4 1 1 A 63 63 LYS N N 69 119.841 119.012 0.829 1 1 707 . 4 1 1 A 64 64 ASN H H 70 8.080 8.858 -0.778 1 1 708 . 4 1 1 A 64 64 ASN HA H 70 3.839 4.419 -0.580 1 1 713 . 4 1 1 A 64 64 ASN C C 70 174.449 174.110 0.339 1 1 714 . 4 1 1 A 64 64 ASN CA C 70 54.417 55.365 -0.948 1 1 715 . 4 1 1 A 64 64 ASN CB C 70 38.129 37.485 0.644 1 1 716 . 4 1 1 A 64 64 ASN N N 70 121.515 122.140 -0.625 1 1 718 . 4 1 1 A 65 65 ASP H H 71 9.218 8.368 0.850 1 1 719 . 4 1 1 A 65 65 ASP HA H 71 3.690 5.851 -2.161 1 1 722 . 4 1 1 A 65 65 ASP C C 71 173.016 174.872 -1.856 1 1 723 . 4 1 1 A 65 65 ASP CA C 71 54.726 53.502 1.224 1 1 724 . 4 1 1 A 65 65 ASP CB C 71 38.534 43.178 -4.644 1 1 725 . 4 1 1 A 65 65 ASP N N 71 113.370 120.892 -7.522 1 1 726 . 4 1 1 A 66 66 LYS H H 72 6.443 8.852 -2.409 1 1 727 . 4 1 1 A 66 66 LYS HA H 72 4.411 4.839 -0.428 1 1 734 . 4 1 1 A 66 66 LYS C C 72 174.745 174.550 0.195 1 1 735 . 4 1 1 A 66 66 LYS CA C 72 53.094 54.611 -1.517 1 1 736 . 4 1 1 A 66 66 LYS CB C 72 36.099 36.150 -0.051 1 1 739 . 4 1 1 A 66 66 LYS N N 72 113.415 121.598 -8.183 1 1 740 . 4 1 1 A 67 67 VAL H H 73 8.679 8.052 0.627 1 1 741 . 4 1 1 A 67 67 VAL HA H 73 4.189 4.175 0.014 1 1 749 . 4 1 1 A 67 67 VAL C C 73 176.630 175.365 1.265 1 1 750 . 4 1 1 A 67 67 VAL CA C 73 62.135 60.954 1.181 1 1 751 . 4 1 1 A 67 67 VAL CB C 73 32.001 32.502 -0.501 1 1 753 . 4 1 1 A 67 67 VAL N N 73 122.098 118.368 3.730 1 1 754 . 4 1 1 A 68 68 SER H H 74 9.497 8.883 0.614 1 1 755 . 4 1 1 A 68 68 SER HA H 74 4.507 4.742 -0.235 1 1 758 . 4 1 1 A 68 68 SER C C 74 172.249 174.282 -2.033 1 1 759 . 4 1 1 A 68 68 SER CA C 74 58.323 58.291 0.032 1 1 760 . 4 1 1 A 68 68 SER CB C 74 64.028 64.585 -0.557 1 1 761 . 4 1 1 A 68 68 SER N N 74 127.048 123.699 3.349 1 1 762 . 4 1 1 A 69 69 ARG H H 75 7.848 8.647 -0.799 1 1 763 . 4 1 1 A 69 69 ARG HA H 75 5.031 5.007 0.024 1 1 770 . 4 1 1 A 69 69 ARG C C 75 173.300 175.199 -1.899 1 1 771 . 4 1 1 A 69 69 ARG CA C 75 55.337 54.657 0.680 1 1 772 . 4 1 1 A 69 69 ARG CB C 75 31.871 32.574 -0.703 1 1 775 . 4 1 1 A 69 69 ARG N N 75 122.621 120.868 1.753 1 1 776 . 4 1 1 A 70 70 PHE H H 76 9.246 8.773 0.473 1 1 777 . 4 1 1 A 70 70 PHE HA H 76 4.808 4.918 -0.110 1 1 784 . 4 1 1 A 70 70 PHE C C 76 175.788 174.397 1.391 1 1 785 . 4 1 1 A 70 70 PHE CA C 76 55.245 56.679 -1.434 1 1 786 . 4 1 1 A 70 70 PHE CB C 76 43.645 43.246 0.399 1 1 787 . 4 1 1 A 70 70 PHE N N 76 118.087 120.216 -2.129 1 1 788 . 4 1 1 A 71 71 ASP H H 77 9.144 9.043 0.101 1 1 789 . 4 1 1 A 71 71 ASP HA H 77 5.360 5.327 0.033 1 1 792 . 4 1 1 A 71 71 ASP C C 77 176.477 175.175 1.302 1 1 793 . 4 1 1 A 71 71 ASP CA C 77 55.131 53.642 1.489 1 1 794 . 4 1 1 A 71 71 ASP CB C 77 41.301 42.761 -1.460 1 1 795 . 4 1 1 A 71 71 ASP N N 77 123.565 122.027 1.538 1 1 796 . 4 1 1 A 72 72 PHE H H 78 9.094 8.816 0.278 1 1 797 . 4 1 1 A 72 72 PHE HA H 78 6.431 5.141 1.290 1 1 805 . 4 1 1 A 72 72 PHE C C 78 174.014 173.452 0.562 1 1 806 . 4 1 1 A 72 72 PHE CA C 78 54.934 56.631 -1.697 1 1 807 . 4 1 1 A 72 72 PHE CB C 78 42.491 42.396 0.095 1 1 808 . 4 1 1 A 72 72 PHE N N 78 119.663 124.712 -5.049 1 1 809 . 4 1 1 A 73 73 ILE H H 79 8.623 8.898 -0.275 1 1 810 . 4 1 1 A 73 73 ILE HA H 79 4.334 5.091 -0.757 1 1 820 . 4 1 1 A 73 73 ILE C C 79 173.961 174.754 -0.793 1 1 821 . 4 1 1 A 73 73 ILE CA C 79 61.222 59.726 1.496 1 1 822 . 4 1 1 A 73 73 ILE CB C 79 41.918 40.441 1.477 1 1 826 . 4 1 1 A 73 73 ILE N N 79 119.750 126.532 -6.782 1 1 827 . 4 1 1 A 74 74 ARG H H 80 9.052 8.933 0.119 1 1 828 . 4 1 1 A 74 74 ARG HA H 80 5.311 4.966 0.345 1 1 835 . 4 1 1 A 74 74 ARG C C 80 174.870 174.538 0.332 1 1 836 . 4 1 1 A 74 74 ARG CA C 80 54.449 54.476 -0.027 1 1 837 . 4 1 1 A 74 74 ARG CB C 80 33.740 32.211 1.529 1 1 840 . 4 1 1 A 74 74 ARG N N 80 128.407 124.359 4.048 1 1 841 . 4 1 1 A 75 75 GLN H H 81 9.304 9.048 0.256 1 1 842 . 4 1 1 A 75 75 GLN HA H 81 5.562 5.204 0.358 1 1 849 . 4 1 1 A 75 75 GLN C C 81 173.678 173.613 0.065 1 1 850 . 4 1 1 A 75 75 GLN CA C 81 53.745 53.444 0.301 1 1 851 . 4 1 1 A 75 75 GLN CB C 81 34.013 33.000 1.013 1 1 853 . 4 1 1 A 75 75 GLN N N 81 125.481 121.566 3.915 1 1 855 . 4 1 1 A 76 76 ILE H H 82 8.592 8.729 -0.137 1 1 856 . 4 1 1 A 76 76 ILE HA H 82 4.576 4.788 -0.212 1 1 866 . 4 1 1 A 76 76 ILE C C 82 172.511 173.727 -1.216 1 1 867 . 4 1 1 A 76 76 ILE CA C 82 59.622 59.183 0.439 1 1 868 . 4 1 1 A 76 76 ILE CB C 82 42.248 41.472 0.776 1 1 872 . 4 1 1 A 76 76 ILE N N 82 115.536 120.825 -5.289 1 1 873 . 4 1 1 A 77 77 GLU H H 83 8.433 8.334 0.099 1 1 874 . 4 1 1 A 77 77 GLU HA H 83 4.936 4.460 0.476 1 1 879 . 4 1 1 A 77 77 GLU C C 83 175.614 175.335 0.279 1 1 880 . 4 1 1 A 77 77 GLU CA C 83 54.812 56.172 -1.360 1 1 881 . 4 1 1 A 77 77 GLU CB C 83 30.465 29.348 1.117 1 1 883 . 4 1 1 A 77 77 GLU N N 83 124.858 126.135 -1.277 1 1 884 . 4 1 1 A 78 78 VAL H H 84 8.879 8.527 0.352 1 1 885 . 4 1 1 A 78 78 VAL HA H 84 4.076 3.964 0.112 1 1 893 . 4 1 1 A 78 78 VAL C C 84 175.694 175.962 -0.268 1 1 894 . 4 1 1 A 78 78 VAL CA C 84 61.382 62.447 -1.065 1 1 895 . 4 1 1 A 78 78 VAL CB C 84 34.014 30.829 3.185 1 1 897 . 4 1 1 A 78 78 VAL N N 84 126.973 125.992 0.981 1 1 898 . 4 1 1 A 79 79 ASP H H 85 9.329 9.522 -0.193 1 1 899 . 4 1 1 A 79 79 ASP HA H 85 4.156 4.346 -0.190 1 1 902 . 4 1 1 A 79 79 ASP C C 85 175.774 176.234 -0.460 1 1 903 . 4 1 1 A 79 79 ASP CA C 85 55.125 55.661 -0.536 1 1 904 . 4 1 1 A 79 79 ASP CB C 85 38.926 39.621 -0.695 1 1 905 . 4 1 1 A 79 79 ASP N N 85 129.387 129.093 0.294 1 1 906 . 4 1 1 A 80 80 GLY H H 86 8.575 8.560 0.015 1 1 907 . 4 1 1 A 80 80 GLY HA2 H 86 3.992 3.832 0.160 1 1 908 . 4 1 1 A 80 80 GLY HA3 H 86 3.507 3.832 -0.325 1 1 909 . 4 1 1 A 80 80 GLY C C 86 173.366 173.700 -0.334 1 1 910 . 4 1 1 A 80 80 GLY CA C 86 44.759 45.324 -0.565 1 1 911 . 4 1 1 A 80 80 GLY N N 86 103.293 104.296 -1.003 1 1 912 . 4 1 1 A 81 81 GLN H H 87 7.751 8.043 -0.292 1 1 913 . 4 1 1 A 81 81 GLN HA H 87 4.482 4.654 -0.172 1 1 918 . 4 1 1 A 81 81 GLN C C 87 173.874 175.183 -1.309 1 1 919 . 4 1 1 A 81 81 GLN CA C 87 53.328 54.508 -1.180 1 1 920 . 4 1 1 A 81 81 GLN CB C 87 30.670 30.598 0.072 1 1 922 . 4 1 1 A 81 81 GLN N N 87 119.688 120.174 -0.486 1 1 923 . 4 1 1 A 82 82 LEU H H 88 8.418 8.753 -0.335 1 1 924 . 4 1 1 A 82 82 LEU HA H 88 4.630 4.733 -0.103 1 1 934 . 4 1 1 A 82 82 LEU C C 88 176.289 175.926 0.363 1 1 935 . 4 1 1 A 82 82 LEU CA C 88 53.834 54.046 -0.212 1 1 936 . 4 1 1 A 82 82 LEU CB C 88 41.737 41.245 0.492 1 1 940 . 4 1 1 A 82 82 LEU N N 88 123.523 124.202 -0.679 1 1 941 . 4 1 1 A 83 83 ILE H H 89 9.146 8.846 0.300 1 1 942 . 4 1 1 A 83 83 ILE HA H 89 4.249 4.935 -0.686 1 1 952 . 4 1 1 A 83 83 ILE C C 89 175.698 175.248 0.450 1 1 953 . 4 1 1 A 83 83 ILE CA C 89 59.363 60.004 -0.641 1 1 954 . 4 1 1 A 83 83 ILE CB C 89 39.633 40.316 -0.683 1 1 958 . 4 1 1 A 83 83 ILE N N 89 127.151 125.185 1.966 1 1 959 . 4 1 1 A 84 84 THR H H 90 8.656 8.860 -0.204 1 1 960 . 4 1 1 A 84 84 THR HA H 90 4.203 5.126 -0.923 1 1 965 . 4 1 1 A 84 84 THR C C 90 172.890 173.811 -0.921 1 1 966 . 4 1 1 A 84 84 THR CA C 90 62.641 61.595 1.046 1 1 967 . 4 1 1 A 84 84 THR CB C 90 68.634 70.278 -1.644 1 1 969 . 4 1 1 A 84 84 THR N N 90 123.099 123.399 -0.300 1 1 970 . 4 1 1 A 85 85 LEU H H 91 8.967 8.779 0.188 1 1 971 . 4 1 1 A 85 85 LEU HA H 91 4.256 4.729 -0.473 1 1 980 . 4 1 1 A 85 85 LEU C C 91 177.371 175.897 1.474 1 1 981 . 4 1 1 A 85 85 LEU CA C 91 55.527 54.165 1.362 1 1 982 . 4 1 1 A 85 85 LEU CB C 91 44.315 43.442 0.873 1 1 984 . 4 1 1 A 85 85 LEU N N 91 125.333 126.240 -0.907 1 1 985 . 4 1 1 A 86 86 GLU H H 92 7.503 7.781 -0.278 1 1 986 . 4 1 1 A 86 86 GLU HA H 92 5.026 4.820 0.206 1 1 991 . 4 1 1 A 86 86 GLU C C 92 172.723 175.334 -2.611 1 1 992 . 4 1 1 A 86 86 GLU CA C 92 54.670 55.602 -0.932 1 1 993 . 4 1 1 A 86 86 GLU CB C 92 33.717 29.931 3.786 1 1 995 . 4 1 1 A 86 86 GLU N N 92 116.655 121.079 -4.424 1 1 996 . 4 1 1 A 87 87 SER H H 93 8.954 8.726 0.228 1 1 997 . 4 1 1 A 87 87 SER HA H 93 4.245 5.849 -1.604 1 1 1000 . 4 1 1 A 87 87 SER C C 93 172.763 173.989 -1.226 1 1 1001 . 4 1 1 A 87 87 SER CA C 93 57.328 57.329 -0.001 1 1 1002 . 4 1 1 A 87 87 SER CB C 93 65.493 66.212 -0.719 1 1 1003 . 4 1 1 A 87 87 SER N N 93 117.941 121.700 -3.759 1 1 1004 . 4 1 1 A 88 88 GLY H H 94 6.932 8.566 -1.634 1 1 1005 . 4 1 1 A 88 88 GLY HA2 H 94 3.694 4.395 -0.701 1 1 1006 . 4 1 1 A 88 88 GLY HA3 H 94 3.694 4.398 -0.704 1 1 1007 . 4 1 1 A 88 88 GLY C C 94 171.117 172.017 -0.900 1 1 1008 . 4 1 1 A 88 88 GLY CA C 94 46.575 46.139 0.436 1 1 1009 . 4 1 1 A 88 88 GLY N N 94 108.625 110.424 -1.799 1 1 1010 . 4 1 1 A 89 89 GLU H H 95 9.669 8.558 1.111 1 1 1011 . 4 1 1 A 89 89 GLU HA H 95 5.642 5.044 0.598 1 1 1016 . 4 1 1 A 89 89 GLU C C 95 173.226 175.271 -2.045 1 1 1017 . 4 1 1 A 89 89 GLU CA C 95 54.786 54.888 -0.102 1 1 1018 . 4 1 1 A 89 89 GLU CB C 95 34.334 32.782 1.552 1 1 1020 . 4 1 1 A 89 89 GLU N N 95 128.231 120.838 7.393 1 1 1021 . 4 1 1 A 90 90 PHE H H 96 10.365 8.892 1.473 1 1 1022 . 4 1 1 A 90 90 PHE HA H 96 5.048 4.709 0.339 1 1 1029 . 4 1 1 A 90 90 PHE C C 96 173.039 173.463 -0.424 1 1 1030 . 4 1 1 A 90 90 PHE CA C 96 54.616 57.407 -2.791 1 1 1031 . 4 1 1 A 90 90 PHE CB C 96 42.090 41.893 0.197 1 1 1032 . 4 1 1 A 90 90 PHE N N 96 131.583 122.824 8.759 1 1 1033 . 4 1 1 A 91 91 GLN H H 97 8.685 8.454 0.231 1 1 1034 . 4 1 1 A 91 91 GLN HA H 97 4.959 4.771 0.188 1 1 1041 . 4 1 1 A 91 91 GLN C C 97 174.151 174.769 -0.618 1 1 1042 . 4 1 1 A 91 91 GLN CA C 97 53.174 54.797 -1.623 1 1 1043 . 4 1 1 A 91 91 GLN CB C 97 28.812 30.449 -1.637 1 1 1045 . 4 1 1 A 91 91 GLN N N 97 126.465 125.661 0.804 1 1 1047 . 4 1 1 A 92 92 VAL H H 98 8.675 9.012 -0.337 1 1 1048 . 4 1 1 A 92 92 VAL HA H 98 4.569 4.551 0.018 1 1 1056 . 4 1 1 A 92 92 VAL C C 98 173.802 173.885 -0.083 1 1 1057 . 4 1 1 A 92 92 VAL CA C 98 59.715 61.305 -1.590 1 1 1058 . 4 1 1 A 92 92 VAL CB C 98 35.074 33.339 1.735 1 1 1061 . 4 1 1 A 92 92 VAL N N 98 118.841 125.231 -6.390 1 1 1062 . 4 1 1 A 93 93 TYR H H 99 8.896 9.191 -0.295 1 1 1063 . 4 1 1 A 93 93 TYR HA H 99 4.940 4.729 0.211 1 1 1070 . 4 1 1 A 93 93 TYR C C 99 173.330 174.231 -0.901 1 1 1071 . 4 1 1 A 93 93 TYR CA C 99 56.948 56.617 0.331 1 1 1072 . 4 1 1 A 93 93 TYR CB C 99 40.780 39.627 1.153 1 1 1073 . 4 1 1 A 93 93 TYR N N 99 127.563 129.067 -1.504 1 1 1074 . 4 1 1 A 94 94 LYS H H 100 5.813 9.345 -3.532 1 1 1075 . 4 1 1 A 94 94 LYS HA H 100 4.248 4.746 -0.498 1 1 1082 . 4 1 1 A 94 94 LYS CA C 100 55.660 55.912 -0.252 1 1 1083 . 4 1 1 A 94 94 LYS CB C 100 35.870 33.865 2.005 1 1 1084 . 4 1 1 A 94 94 LYS N N 100 128.378 128.843 -0.465 1 1 1085 . 4 1 1 A 95 95 GLN H H 101 8.438 8.092 0.346 1 1 1086 . 4 1 1 A 95 95 GLN HA H 101 5.028 4.747 0.281 1 1 1091 . 4 1 1 A 95 95 GLN C C 101 174.080 175.915 -1.835 1 1 1092 . 4 1 1 A 95 95 GLN CA C 101 54.043 53.877 0.166 1 1 1093 . 4 1 1 A 95 95 GLN CB C 101 27.209 31.753 -4.544 1 1 1095 . 4 1 1 A 95 95 GLN N N 101 125.809 125.007 0.802 1 1 1096 . 4 1 1 A 96 96 SER H H 102 9.057 9.003 0.054 1 1 1097 . 4 1 1 A 96 96 SER HA H 102 3.041 4.193 -1.152 1 1 1100 . 4 1 1 A 96 96 SER CA C 102 62.985 61.745 1.240 1 1 1101 . 4 1 1 A 96 96 SER CB C 102 63.242 63.397 -0.155 1 1 1102 . 4 1 1 A 96 96 SER N N 102 117.650 116.399 1.251 1 1 1103 . 4 1 1 A 97 97 HIS H H 103 10.115 8.304 1.811 1 1 1104 . 4 1 1 A 97 97 HIS HA H 103 4.406 4.820 -0.414 1 1 1109 . 4 1 1 A 97 97 HIS CA C 103 53.809 55.932 -2.123 1 1 1110 . 4 1 1 A 97 97 HIS CB C 103 30.329 31.347 -1.018 1 1 1111 . 4 1 1 A 97 97 HIS N N 103 118.385 114.164 4.221 1 1 1112 . 4 1 1 A 98 98 SER H H 104 7.241 7.820 -0.579 1 1 1113 . 4 1 1 A 98 98 SER HA H 104 4.406 5.107 -0.701 1 1 1116 . 4 1 1 A 98 98 SER CA C 104 56.712 56.774 -0.062 1 1 1117 . 4 1 1 A 98 98 SER CB C 104 65.461 66.374 -0.913 1 1 1118 . 4 1 1 A 98 98 SER N N 104 112.298 112.695 -0.397 1 1 1119 . 4 1 1 A 99 99 ALA H H 105 8.418 8.754 -0.336 1 1 1120 . 4 1 1 A 99 99 ALA HA H 105 4.753 5.109 -0.356 1 1 1124 . 4 1 1 A 99 99 ALA C C 105 173.181 176.076 -2.895 1 1 1125 . 4 1 1 A 99 99 ALA CA C 105 51.363 51.587 -0.224 1 1 1126 . 4 1 1 A 99 99 ALA CB C 105 22.271 23.277 -1.006 1 1 1127 . 4 1 1 A 99 99 ALA N N 105 116.790 121.321 -4.531 1 1 1128 . 4 1 1 A 100 100 LEU H H 106 8.376 8.715 -0.339 1 1 1129 . 4 1 1 A 100 100 LEU HA H 106 5.549 5.290 0.259 1 1 1139 . 4 1 1 A 100 100 LEU C C 106 175.338 174.850 0.488 1 1 1140 . 4 1 1 A 100 100 LEU CA C 106 53.753 52.965 0.788 1 1 1141 . 4 1 1 A 100 100 LEU CB C 106 46.393 46.300 0.093 1 1 1145 . 4 1 1 A 100 100 LEU N N 106 115.214 117.162 -1.948 1 1 1146 . 4 1 1 A 101 101 THR H H 107 8.685 8.894 -0.209 1 1 1147 . 4 1 1 A 101 101 THR HA H 107 5.287 5.120 0.167 1 1 1152 . 4 1 1 A 101 101 THR C C 107 172.493 173.371 -0.878 1 1 1153 . 4 1 1 A 101 101 THR CA C 107 57.069 59.742 -2.673 1 1 1154 . 4 1 1 A 101 101 THR CB C 107 71.308 71.427 -0.119 1 1 1156 . 4 1 1 A 101 101 THR N N 107 109.441 116.605 -7.164 1 1 1157 . 4 1 1 A 102 102 ALA H H 108 8.459 8.484 -0.025 1 1 1158 . 4 1 1 A 102 102 ALA HA H 108 4.366 5.167 -0.801 1 1 1162 . 4 1 1 A 102 102 ALA C C 108 173.439 175.628 -2.189 1 1 1163 . 4 1 1 A 102 102 ALA CA C 108 51.015 50.438 0.577 1 1 1164 . 4 1 1 A 102 102 ALA CB C 108 23.424 23.116 0.308 1 1 1165 . 4 1 1 A 102 102 ALA N N 108 120.716 127.121 -6.405 1 1 1166 . 4 1 1 A 103 103 PHE H H 109 8.510 9.043 -0.533 1 1 1167 . 4 1 1 A 103 103 PHE HA H 109 4.715 5.010 -0.295 1 1 1175 . 4 1 1 A 103 103 PHE C C 109 174.173 174.512 -0.339 1 1 1176 . 4 1 1 A 103 103 PHE CA C 109 56.640 56.136 0.504 1 1 1177 . 4 1 1 A 103 103 PHE CB C 109 41.926 41.842 0.084 1 1 1178 . 4 1 1 A 103 103 PHE N N 109 115.041 119.008 -3.967 1 1 1179 . 4 1 1 A 104 104 GLN H H 110 9.832 8.363 1.469 1 1 1180 . 4 1 1 A 104 104 GLN HA H 110 5.226 5.163 0.063 1 1 1187 . 4 1 1 A 104 104 GLN C C 110 175.186 173.616 1.570 1 1 1188 . 4 1 1 A 104 104 GLN CA C 110 53.213 54.740 -1.527 1 1 1189 . 4 1 1 A 104 104 GLN CB C 110 29.161 32.528 -3.367 1 1 1191 . 4 1 1 A 104 104 GLN N N 110 124.526 120.553 3.973 1 1 1193 . 4 1 1 A 105 105 THR H H 111 9.566 8.736 0.830 1 1 1194 . 4 1 1 A 105 105 THR HA H 111 4.186 5.128 -0.942 1 1 1199 . 4 1 1 A 105 105 THR C C 111 174.538 173.515 1.023 1 1 1200 . 4 1 1 A 105 105 THR CA C 111 66.408 60.163 6.245 1 1 1201 . 4 1 1 A 105 105 THR CB C 111 69.385 71.430 -2.045 1 1 1203 . 4 1 1 A 105 105 THR N N 111 126.760 119.061 7.699 1 1 1204 . 4 1 1 A 106 106 GLU H H 112 9.303 8.782 0.521 1 1 1205 . 4 1 1 A 106 106 GLU HA H 112 4.811 4.499 0.312 1 1 1210 . 4 1 1 A 106 106 GLU C C 112 177.397 176.177 1.220 1 1 1211 . 4 1 1 A 106 106 GLU CA C 112 56.227 57.702 -1.475 1 1 1212 . 4 1 1 A 106 106 GLU CB C 112 31.283 30.710 0.573 1 1 1214 . 4 1 1 A 106 106 GLU N N 112 121.685 125.646 -3.961 1 1 1215 . 4 1 1 A 107 107 GLN H H 113 7.954 7.848 0.106 1 1 1216 . 4 1 1 A 107 107 GLN HA H 113 5.233 4.652 0.581 1 1 1221 . 4 1 1 A 107 107 GLN C C 113 173.999 175.106 -1.107 1 1 1222 . 4 1 1 A 107 107 GLN CA C 113 53.837 55.954 -2.117 1 1 1223 . 4 1 1 A 107 107 GLN CB C 113 32.543 29.066 3.477 1 1 1225 . 4 1 1 A 107 107 GLN N N 113 117.612 116.157 1.455 1 1 1226 . 4 1 1 A 108 108 ILE H H 114 8.969 8.431 0.538 1 1 1227 . 4 1 1 A 108 108 ILE HA H 114 4.907 4.739 0.168 1 1 1237 . 4 1 1 A 108 108 ILE C C 114 174.089 173.883 0.206 1 1 1238 . 4 1 1 A 108 108 ILE CA C 114 58.954 59.206 -0.252 1 1 1239 . 4 1 1 A 108 108 ILE CB C 114 42.799 41.757 1.042 1 1 1243 . 4 1 1 A 108 108 ILE N N 114 115.049 122.814 -7.765 1 1 1244 . 4 1 1 A 109 109 GLN H H 115 7.421 8.501 -1.080 1 1 1245 . 4 1 1 A 109 109 GLN HA H 115 4.405 4.610 -0.205 1 1 1252 . 4 1 1 A 109 109 GLN C C 115 175.654 174.401 1.253 1 1 1253 . 4 1 1 A 109 109 GLN CA C 115 56.086 55.125 0.961 1 1 1254 . 4 1 1 A 109 109 GLN CB C 115 28.483 29.596 -1.113 1 1 1256 . 4 1 1 A 109 109 GLN N N 115 121.959 125.415 -3.456 1 1 1258 . 4 1 1 A 110 110 ASP H H 116 8.569 8.517 0.052 1 1 1259 . 4 1 1 A 110 110 ASP HA H 116 4.377 5.184 -0.807 1 1 1262 . 4 1 1 A 110 110 ASP C C 116 176.662 176.493 0.169 1 1 1263 . 4 1 1 A 110 110 ASP CA C 116 53.511 53.084 0.427 1 1 1264 . 4 1 1 A 110 110 ASP CB C 116 41.187 43.738 -2.551 1 1 1265 . 4 1 1 A 110 110 ASP N N 116 125.621 122.513 3.108 1 1 1266 . 4 1 1 A 111 111 SER H H 117 8.445 8.897 -0.452 1 1 1267 . 4 1 1 A 111 111 SER HA H 117 4.024 4.752 -0.728 1 1 1270 . 4 1 1 A 111 111 SER C C 117 174.783 174.738 0.045 1 1 1271 . 4 1 1 A 111 111 SER CA C 117 60.782 58.148 2.634 1 1 1272 . 4 1 1 A 111 111 SER CB C 117 62.560 63.474 -0.914 1 1 1273 . 4 1 1 A 111 111 SER N N 117 120.732 121.525 -0.793 1 1 1274 . 4 1 1 A 112 112 GLU H H 118 8.246 7.947 0.299 1 1 1275 . 4 1 1 A 112 112 GLU HA H 118 4.044 4.495 -0.451 1 1 1280 . 4 1 1 A 112 112 GLU C C 118 175.899 176.707 -0.808 1 1 1281 . 4 1 1 A 112 112 GLU CA C 118 56.016 57.302 -1.286 1 1 1282 . 4 1 1 A 112 112 GLU CB C 118 29.853 31.650 -1.797 1 1 1284 . 4 1 1 A 112 112 GLU N N 118 119.367 120.961 -1.594 1 1 1285 . 4 1 1 A 113 113 HIS H H 119 7.418 7.876 -0.458 1 1 1286 . 4 1 1 A 113 113 HIS HA H 119 4.607 4.762 -0.155 1 1 1291 . 4 1 1 A 113 113 HIS C C 119 173.527 175.084 -1.557 1 1 1292 . 4 1 1 A 113 113 HIS CA C 119 54.515 55.208 -0.693 1 1 1293 . 4 1 1 A 113 113 HIS CB C 119 28.667 29.828 -1.161 1 1 1294 . 4 1 1 A 113 113 HIS N N 119 117.287 119.725 -2.438 1 1 1295 . 4 1 1 A 114 114 SER H H 120 8.398 8.188 0.210 1 1 1296 . 4 1 1 A 114 114 SER HA H 120 4.183 4.099 0.084 1 1 1299 . 4 1 1 A 114 114 SER C C 120 175.690 174.554 1.136 1 1 1300 . 4 1 1 A 114 114 SER CA C 120 59.149 60.191 -1.042 1 1 1301 . 4 1 1 A 114 114 SER CB C 120 62.820 61.603 1.217 1 1 1302 . 4 1 1 A 114 114 SER N N 120 116.771 112.367 4.404 1 1 1303 . 4 1 1 A 115 115 GLY H H 121 8.733 8.195 0.538 1 1 1304 . 4 1 1 A 115 115 GLY HA2 H 121 4.052 4.141 -0.089 1 1 1305 . 4 1 1 A 115 115 GLY HA3 H 121 3.724 4.155 -0.431 1 1 1306 . 4 1 1 A 115 115 GLY C C 121 173.540 173.985 -0.445 1 1 1307 . 4 1 1 A 115 115 GLY CA C 121 44.692 45.691 -0.999 1 1 1308 . 4 1 1 A 115 115 GLY N N 121 112.197 106.779 5.418 1 1 1309 . 4 1 1 A 116 116 LYS H H 122 7.796 7.906 -0.110 1 1 1310 . 4 1 1 A 116 116 LYS HA H 122 4.465 4.564 -0.099 1 1 1317 . 4 1 1 A 116 116 LYS C C 122 175.090 175.464 -0.374 1 1 1318 . 4 1 1 A 116 116 LYS CA C 122 55.122 55.953 -0.831 1 1 1319 . 4 1 1 A 116 116 LYS CB C 122 33.861 33.934 -0.073 1 1 1322 . 4 1 1 A 116 116 LYS N N 122 120.212 119.171 1.041 1 1 1323 . 4 1 1 A 117 117 MET H H 123 8.348 8.613 -0.265 1 1 1324 . 4 1 1 A 117 117 MET HA H 123 5.082 4.969 0.113 1 1 1332 . 4 1 1 A 117 117 MET C C 123 176.210 174.293 1.917 1 1 1333 . 4 1 1 A 117 117 MET CA C 123 52.928 54.387 -1.459 1 1 1334 . 4 1 1 A 117 117 MET CB C 123 33.841 35.984 -2.143 1 1 1337 . 4 1 1 A 117 117 MET N N 123 119.755 119.577 0.178 1 1 1338 . 4 1 1 A 118 118 VAL H H 124 9.242 8.657 0.585 1 1 1339 . 4 1 1 A 118 118 VAL HA H 124 4.469 5.050 -0.581 1 1 1347 . 4 1 1 A 118 118 VAL C C 124 173.967 173.877 0.090 1 1 1348 . 4 1 1 A 118 118 VAL CA C 124 59.056 59.014 0.042 1 1 1349 . 4 1 1 A 118 118 VAL CB C 124 34.376 35.875 -1.499 1 1 1351 . 4 1 1 A 118 118 VAL N N 124 118.546 118.787 -0.241 1 1 1352 . 4 1 1 A 119 119 ALA H H 125 8.327 8.920 -0.593 1 1 1353 . 4 1 1 A 119 119 ALA HA H 125 4.624 5.438 -0.814 1 1 1357 . 4 1 1 A 119 119 ALA C C 125 177.165 177.179 -0.014 1 1 1358 . 4 1 1 A 119 119 ALA CA C 125 52.043 50.478 1.565 1 1 1359 . 4 1 1 A 119 119 ALA CB C 125 18.232 21.688 -3.456 1 1 1360 . 4 1 1 A 119 119 ALA N N 125 125.947 124.881 1.066 1 1 1361 . 4 1 1 A 120 120 LYS H H 126 7.604 8.209 -0.605 1 1 1362 . 4 1 1 A 120 120 LYS HA H 126 4.046 4.777 -0.731 1 1 1371 . 4 1 1 A 120 120 LYS C C 126 172.631 175.861 -3.230 1 1 1372 . 4 1 1 A 120 120 LYS CA C 126 56.023 54.967 1.056 1 1 1373 . 4 1 1 A 120 120 LYS CB C 126 34.482 32.257 2.225 1 1 1377 . 4 1 1 A 120 120 LYS N N 126 126.149 120.548 5.601 1 1 1378 . 4 1 1 A 121 121 ARG H H 127 8.308 8.394 -0.086 1 1 1379 . 4 1 1 A 121 121 ARG HA H 127 4.901 3.939 0.962 1 1 1384 . 4 1 1 A 121 121 ARG C C 127 176.253 175.074 1.179 1 1 1385 . 4 1 1 A 121 121 ARG CA C 127 55.564 57.226 -1.662 1 1 1386 . 4 1 1 A 121 121 ARG CB C 127 28.273 27.259 1.014 1 1 1388 . 4 1 1 A 121 121 ARG N N 127 122.760 114.224 8.536 1 1 1389 . 4 1 1 A 122 122 GLN H H 128 7.529 7.858 -0.329 1 1 1390 . 4 1 1 A 122 122 GLN HA H 128 4.541 4.500 0.041 1 1 1397 . 4 1 1 A 122 122 GLN C C 128 172.163 174.691 -2.528 1 1 1398 . 4 1 1 A 122 122 GLN CA C 128 54.218 54.740 -0.522 1 1 1399 . 4 1 1 A 122 122 GLN CB C 128 32.064 28.454 3.610 1 1 1401 . 4 1 1 A 122 122 GLN N N 128 121.022 118.282 2.740 1 1 1403 . 4 1 1 A 123 123 PHE H H 129 8.620 8.755 -0.135 1 1 1404 . 4 1 1 A 123 123 PHE HA H 129 6.040 5.173 0.867 1 1 1411 . 4 1 1 A 123 123 PHE C C 129 174.530 174.721 -0.191 1 1 1412 . 4 1 1 A 123 123 PHE CA C 129 56.026 58.068 -2.042 1 1 1413 . 4 1 1 A 123 123 PHE CB C 129 42.143 40.923 1.220 1 1 1414 . 4 1 1 A 123 123 PHE N N 129 125.540 126.722 -1.182 1 1 1415 . 4 1 1 A 124 124 ARG H H 130 8.018 8.362 -0.344 1 1 1416 . 4 1 1 A 124 124 ARG HA H 130 4.366 4.270 0.096 1 1 1423 . 4 1 1 A 124 124 ARG C C 130 172.139 174.081 -1.942 1 1 1424 . 4 1 1 A 124 124 ARG CA C 130 53.422 53.863 -0.441 1 1 1425 . 4 1 1 A 124 124 ARG CB C 130 32.310 34.685 -2.375 1 1 1428 . 4 1 1 A 124 124 ARG N N 130 125.264 126.972 -1.708 1 1 1429 . 4 1 1 A 125 125 ILE H H 131 8.462 8.141 0.321 1 1 1430 . 4 1 1 A 125 125 ILE HA H 131 3.883 4.318 -0.435 1 1 1440 . 4 1 1 A 125 125 ILE C C 131 175.487 175.037 0.450 1 1 1441 . 4 1 1 A 125 125 ILE CA C 131 58.339 61.670 -3.331 1 1 1442 . 4 1 1 A 125 125 ILE CB C 131 35.673 38.968 -3.295 1 1 1446 . 4 1 1 A 125 125 ILE N N 131 121.887 124.889 -3.002 1 1 1447 . 4 1 1 A 126 126 GLY H H 132 8.814 8.068 0.746 1 1 1448 . 4 1 1 A 126 126 GLY HA2 H 132 4.062 4.266 -0.204 1 1 1449 . 4 1 1 A 126 126 GLY HA3 H 132 4.062 4.331 -0.269 1 1 1450 . 4 1 1 A 126 126 GLY C C 132 171.583 172.173 -0.590 1 1 1451 . 4 1 1 A 126 126 GLY CA C 132 44.157 44.412 -0.255 1 1 1452 . 4 1 1 A 126 126 GLY N N 132 115.675 114.259 1.416 1 1 1453 . 4 1 1 A 127 127 ASP H H 133 7.914 8.460 -0.546 1 1 1454 . 4 1 1 A 127 127 ASP HA H 133 4.584 4.706 -0.122 1 1 1457 . 4 1 1 A 127 127 ASP C C 133 174.132 175.703 -1.571 1 1 1458 . 4 1 1 A 127 127 ASP CA C 133 54.822 54.343 0.479 1 1 1459 . 4 1 1 A 127 127 ASP CB C 133 45.407 41.940 3.467 1 1 1460 . 4 1 1 A 127 127 ASP N N 133 123.737 119.925 3.812 1 1 1461 . 4 1 1 A 128 128 ILE H H 134 8.258 8.944 -0.686 1 1 1462 . 4 1 1 A 128 128 ILE HA H 134 4.392 4.352 0.040 1 1 1472 . 4 1 1 A 128 128 ILE C C 134 174.799 175.421 -0.622 1 1 1473 . 4 1 1 A 128 128 ILE CA C 134 61.596 60.647 0.949 1 1 1474 . 4 1 1 A 128 128 ILE CB C 134 37.549 36.748 0.801 1 1 1478 . 4 1 1 A 128 128 ILE N N 134 119.105 126.077 -6.972 1 1 1479 . 4 1 1 A 129 129 ALA H H 135 8.607 8.248 0.359 1 1 1480 . 4 1 1 A 129 129 ALA HA H 135 4.757 4.621 0.136 1 1 1484 . 4 1 1 A 129 129 ALA C C 135 173.358 177.488 -4.130 1 1 1485 . 4 1 1 A 129 129 ALA CA C 135 50.608 52.560 -1.952 1 1 1486 . 4 1 1 A 129 129 ALA CB C 135 23.348 19.346 4.002 1 1 1487 . 4 1 1 A 129 129 ALA N N 135 129.336 130.981 -1.645 1 1 1488 . 4 1 1 A 130 130 GLY H H 136 7.514 8.519 -1.005 1 1 1489 . 4 1 1 A 130 130 GLY HA2 H 136 3.551 4.284 -0.733 1 1 1490 . 4 1 1 A 130 130 GLY HA3 H 136 4.422 4.285 0.137 1 1 1491 . 4 1 1 A 130 130 GLY C C 136 172.609 172.459 0.150 1 1 1492 . 4 1 1 A 130 130 GLY CA C 136 44.315 45.642 -1.327 1 1 1493 . 4 1 1 A 130 130 GLY N N 136 101.232 107.991 -6.759 1 1 1494 . 4 1 1 A 131 131 GLU H H 137 8.225 9.029 -0.804 1 1 1495 . 4 1 1 A 131 131 GLU HA H 137 4.540 4.774 -0.234 1 1 1500 . 4 1 1 A 131 131 GLU C C 137 174.864 175.669 -0.805 1 1 1501 . 4 1 1 A 131 131 GLU CA C 137 53.120 55.889 -2.769 1 1 1502 . 4 1 1 A 131 131 GLU CB C 137 28.254 28.594 -0.340 1 1 1504 . 4 1 1 A 131 131 GLU N N 137 121.002 120.220 0.782 1 1 1505 . 4 1 1 A 132 132 HIS H H 138 8.054 8.465 -0.411 1 1 1506 . 4 1 1 A 132 132 HIS HA H 138 4.771 4.285 0.486 1 1 1511 . 4 1 1 A 132 132 HIS C C 138 175.411 174.848 0.563 1 1 1512 . 4 1 1 A 132 132 HIS CA C 138 57.942 57.215 0.727 1 1 1513 . 4 1 1 A 132 132 HIS CB C 138 27.710 30.666 -2.956 1 1 1514 . 4 1 1 A 132 132 HIS N N 138 124.204 123.922 0.282 1 1 1515 . 4 1 1 A 133 133 THR H H 139 9.056 8.183 0.873 1 1 1516 . 4 1 1 A 133 133 THR HA H 139 3.864 4.978 -1.114 1 1 1521 . 4 1 1 A 133 133 THR C C 139 174.178 173.953 0.225 1 1 1522 . 4 1 1 A 133 133 THR CA C 139 63.225 59.745 3.480 1 1 1523 . 4 1 1 A 133 133 THR CB C 139 68.127 70.978 -2.851 1 1 1525 . 4 1 1 A 133 133 THR N N 139 125.345 113.903 11.442 1 1 1526 . 4 1 1 A 134 134 SER H H 140 8.834 8.891 -0.057 1 1 1527 . 4 1 1 A 134 134 SER HA H 140 4.560 4.446 0.114 1 1 1530 . 4 1 1 A 134 134 SER C C 140 176.713 175.950 0.763 1 1 1531 . 4 1 1 A 134 134 SER CA C 140 57.961 59.252 -1.291 1 1 1532 . 4 1 1 A 134 134 SER CB C 140 63.030 63.097 -0.067 1 1 1533 . 4 1 1 A 134 134 SER N N 140 121.791 119.875 1.916 1 1 1534 . 4 1 1 A 135 135 PHE H H 141 9.597 8.653 0.944 1 1 1535 . 4 1 1 A 135 135 PHE HA H 141 3.953 4.321 -0.368 1 1 1542 . 4 1 1 A 135 135 PHE C C 141 175.375 176.724 -1.349 1 1 1543 . 4 1 1 A 135 135 PHE CA C 141 61.339 59.474 1.865 1 1 1544 . 4 1 1 A 135 135 PHE CB C 141 39.394 38.142 1.252 1 1 1545 . 4 1 1 A 135 135 PHE N N 141 128.822 122.909 5.913 1 1 1546 . 4 1 1 A 136 136 ASP H H 142 8.017 7.462 0.555 1 1 1547 . 4 1 1 A 136 136 ASP HA H 142 4.352 4.340 0.012 1 1 1550 . 4 1 1 A 136 136 ASP C C 142 175.358 176.783 -1.425 1 1 1551 . 4 1 1 A 136 136 ASP CA C 142 55.223 55.317 -0.094 1 1 1552 . 4 1 1 A 136 136 ASP CB C 142 40.968 39.913 1.055 1 1 1553 . 4 1 1 A 136 136 ASP N N 142 113.108 120.316 -7.208 1 1 1554 . 4 1 1 A 137 137 LYS H H 143 7.340 7.561 -0.221 1 1 1555 . 4 1 1 A 137 137 LYS HA H 143 4.439 4.345 0.094 1 1 1564 . 4 1 1 A 137 137 LYS C C 143 175.571 176.152 -0.581 1 1 1565 . 4 1 1 A 137 137 LYS CA C 143 54.096 55.693 -1.597 1 1 1566 . 4 1 1 A 137 137 LYS CB C 143 32.545 33.314 -0.769 1 1 1570 . 4 1 1 A 137 137 LYS N N 143 117.716 117.627 0.089 1 1 1571 . 4 1 1 A 138 138 LEU H H 144 6.698 7.138 -0.440 1 1 1572 . 4 1 1 A 138 138 LEU HA H 144 3.903 4.182 -0.279 1 1 1582 . 4 1 1 A 138 138 LEU C C 144 174.123 174.798 -0.675 1 1 1583 . 4 1 1 A 138 138 LEU CA C 144 52.843 52.576 0.267 1 1 1584 . 4 1 1 A 138 138 LEU CB C 144 40.993 41.205 -0.212 1 1 1588 . 4 1 1 A 138 138 LEU N N 144 120.536 121.257 -0.721 1 1 1589 . 4 1 1 A 139 139 PRO HA H 145 4.040 4.643 -0.603 1 1 1596 . 4 1 1 A 139 139 PRO C C 145 172.700 176.849 -4.149 1 1 1597 . 4 1 1 A 139 139 PRO CA C 145 62.654 62.400 0.254 1 1 1598 . 4 1 1 A 139 139 PRO CB C 145 30.086 32.531 -2.445 1 1 1601 . 4 1 1 A 140 140 GLU H H 146 8.343 8.999 -0.656 1 1 1602 . 4 1 1 A 140 140 GLU HA H 146 3.970 4.258 -0.288 1 1 1607 . 4 1 1 A 140 140 GLU C C 146 176.009 178.600 -2.591 1 1 1608 . 4 1 1 A 140 140 GLU CA C 146 56.119 57.552 -1.433 1 1 1609 . 4 1 1 A 140 140 GLU CB C 146 30.086 29.517 0.569 1 1 1611 . 4 1 1 A 140 140 GLU N N 146 119.063 122.474 -3.411 1 1 1612 . 4 1 1 A 141 141 GLY H H 147 7.241 8.375 -1.134 1 1 1613 . 4 1 1 A 141 141 GLY HA2 H 147 3.918 3.673 0.245 1 1 1614 . 4 1 1 A 141 141 GLY HA3 H 147 3.814 3.690 0.124 1 1 1615 . 4 1 1 A 141 141 GLY C C 147 171.657 174.839 -3.182 1 1 1616 . 4 1 1 A 141 141 GLY CA C 147 43.929 47.212 -3.283 1 1 1617 . 4 1 1 A 141 141 GLY N N 147 104.270 107.689 -3.419 1 1 1618 . 4 1 1 A 142 142 GLY H H 148 8.241 7.636 0.605 1 1 1619 . 4 1 1 A 142 142 GLY HA2 H 148 3.710 4.153 -0.443 1 1 1620 . 4 1 1 A 142 142 GLY HA3 H 148 4.350 4.167 0.183 1 1 1621 . 4 1 1 A 142 142 GLY C C 148 171.767 172.086 -0.319 1 1 1622 . 4 1 1 A 142 142 GLY CA C 148 43.649 46.141 -2.492 1 1 1623 . 4 1 1 A 142 142 GLY N N 148 106.996 104.641 2.355 1 1 1624 . 4 1 1 A 143 143 ARG H H 149 8.214 8.648 -0.434 1 1 1625 . 4 1 1 A 143 143 ARG HA H 149 5.376 5.224 0.152 1 1 1632 . 4 1 1 A 143 143 ARG C C 149 174.981 173.990 0.991 1 1 1633 . 4 1 1 A 143 143 ARG CA C 149 54.235 53.585 0.650 1 1 1634 . 4 1 1 A 143 143 ARG CB C 149 32.988 33.748 -0.760 1 1 1637 . 4 1 1 A 143 143 ARG N N 149 117.762 120.725 -2.963 1 1 1638 . 4 1 1 A 144 144 ALA H H 150 9.030 8.517 0.513 1 1 1639 . 4 1 1 A 144 144 ALA HA H 150 4.730 5.062 -0.332 1 1 1643 . 4 1 1 A 144 144 ALA C C 150 175.012 175.525 -0.513 1 1 1644 . 4 1 1 A 144 144 ALA CA C 150 50.732 49.802 0.930 1 1 1645 . 4 1 1 A 144 144 ALA CB C 150 23.448 21.341 2.107 1 1 1646 . 4 1 1 A 144 144 ALA N N 150 126.630 121.979 4.651 1 1 1647 . 4 1 1 A 145 145 THR H H 151 8.560 8.542 0.018 1 1 1648 . 4 1 1 A 145 145 THR HA H 151 4.846 4.474 0.372 1 1 1653 . 4 1 1 A 145 145 THR C C 151 171.870 173.154 -1.284 1 1 1654 . 4 1 1 A 145 145 THR CA C 151 61.997 62.717 -0.720 1 1 1655 . 4 1 1 A 145 145 THR CB C 151 69.746 69.447 0.299 1 1 1657 . 4 1 1 A 145 145 THR N N 151 117.942 118.924 -0.982 1 1 1658 . 4 1 1 A 146 146 TYR H H 152 10.008 8.902 1.106 1 1 1659 . 4 1 1 A 146 146 TYR HA H 152 4.580 5.199 -0.619 1 1 1666 . 4 1 1 A 146 146 TYR C C 152 174.627 174.696 -0.069 1 1 1667 . 4 1 1 A 146 146 TYR CA C 152 55.835 56.318 -0.483 1 1 1668 . 4 1 1 A 146 146 TYR CB C 152 40.094 43.569 -3.475 1 1 1669 . 4 1 1 A 146 146 TYR N N 152 126.097 126.279 -0.182 1 1 1670 . 4 1 1 A 147 147 ARG H H 153 8.860 8.787 0.073 1 1 1671 . 4 1 1 A 147 147 ARG HA H 153 5.404 5.205 0.199 1 1 1678 . 4 1 1 A 147 147 ARG C C 153 177.446 174.995 2.451 1 1 1679 . 4 1 1 A 147 147 ARG CA C 153 54.024 54.376 -0.352 1 1 1680 . 4 1 1 A 147 147 ARG CB C 153 33.539 34.239 -0.700 1 1 1683 . 4 1 1 A 147 147 ARG N N 153 121.042 121.439 -0.397 1 1 1684 . 4 1 1 A 148 148 GLY H H 154 8.916 8.381 0.535 1 1 1685 . 4 1 1 A 148 148 GLY HA2 H 154 4.816 4.324 0.492 1 1 1686 . 4 1 1 A 148 148 GLY HA3 H 154 4.422 4.332 0.090 1 1 1687 . 4 1 1 A 148 148 GLY C C 154 173.831 171.819 2.012 1 1 1688 . 4 1 1 A 148 148 GLY CA C 154 46.752 45.033 1.719 1 1 1689 . 4 1 1 A 148 148 GLY N N 154 114.154 109.396 4.758 1 1 1690 . 4 1 1 A 149 149 THR H H 155 9.063 8.892 0.171 1 1 1691 . 4 1 1 A 149 149 THR HA H 155 4.711 4.799 -0.088 1 1 1696 . 4 1 1 A 149 149 THR C C 155 170.370 174.430 -4.060 1 1 1697 . 4 1 1 A 149 149 THR CA C 155 62.316 63.354 -1.038 1 1 1698 . 4 1 1 A 149 149 THR CB C 155 72.596 70.362 2.234 1 1 1700 . 4 1 1 A 149 149 THR N N 155 126.410 117.298 9.112 1 1 1701 . 4 1 1 A 150 150 ALA H H 156 7.091 9.090 -1.999 1 1 1702 . 4 1 1 A 150 150 ALA HA H 156 5.289 5.467 -0.178 1 1 1706 . 4 1 1 A 150 150 ALA C C 156 173.965 176.461 -2.496 1 1 1707 . 4 1 1 A 150 150 ALA CA C 156 48.843 50.319 -1.476 1 1 1708 . 4 1 1 A 150 150 ALA CB C 156 22.573 22.042 0.531 1 1 1709 . 4 1 1 A 150 150 ALA N N 156 127.540 129.513 -1.973 1 1 1710 . 4 1 1 A 151 151 PHE H H 157 8.536 8.045 0.491 1 1 1711 . 4 1 1 A 151 151 PHE HA H 157 5.442 5.510 -0.068 1 1 1718 . 4 1 1 A 151 151 PHE C C 157 171.891 173.574 -1.683 1 1 1719 . 4 1 1 A 151 151 PHE CA C 157 53.282 55.630 -2.348 1 1 1720 . 4 1 1 A 151 151 PHE CB C 157 41.020 40.998 0.022 1 1 1721 . 4 1 1 A 151 151 PHE N N 157 117.013 116.088 0.925 1 1 1722 . 4 1 1 A 152 152 GLY H H 158 8.548 8.835 -0.287 1 1 1723 . 4 1 1 A 152 152 GLY HA2 H 158 4.003 3.665 0.338 1 1 1724 . 4 1 1 A 152 152 GLY HA3 H 158 3.124 4.179 -1.055 1 1 1725 . 4 1 1 A 152 152 GLY C C 158 173.148 172.598 0.550 1 1 1726 . 4 1 1 A 152 152 GLY CA C 158 42.630 43.743 -1.113 1 1 1727 . 4 1 1 A 152 152 GLY N N 158 108.356 109.820 -1.464 1 1 1728 . 4 1 1 A 153 153 SER H H 159 7.610 8.024 -0.414 1 1 1729 . 4 1 1 A 153 153 SER HA H 159 3.421 4.314 -0.893 1 1 1732 . 4 1 1 A 153 153 SER C C 159 176.057 173.873 2.184 1 1 1733 . 4 1 1 A 153 153 SER CA C 159 58.787 57.154 1.633 1 1 1734 . 4 1 1 A 153 153 SER CB C 159 61.886 61.658 0.228 1 1 1735 . 4 1 1 A 153 153 SER N N 159 115.173 114.196 0.977 1 1 1736 . 4 1 1 A 154 154 ASP H H 160 9.894 8.016 1.878 1 1 1737 . 4 1 1 A 154 154 ASP HA H 160 4.168 4.921 -0.753 1 1 1740 . 4 1 1 A 154 154 ASP C C 160 175.191 176.683 -1.492 1 1 1741 . 4 1 1 A 154 154 ASP CA C 160 55.398 55.414 -0.016 1 1 1742 . 4 1 1 A 154 154 ASP CB C 160 39.212 43.695 -4.483 1 1 1743 . 4 1 1 A 154 154 ASP N N 160 124.828 125.037 -0.209 1 1 1744 . 4 1 1 A 155 155 ASP H H 161 7.520 8.019 -0.499 1 1 1745 . 4 1 1 A 155 155 ASP HA H 161 4.568 4.532 0.036 1 1 1748 . 4 1 1 A 155 155 ASP C C 161 172.658 176.391 -3.733 1 1 1749 . 4 1 1 A 155 155 ASP CA C 161 54.342 55.984 -1.642 1 1 1750 . 4 1 1 A 155 155 ASP CB C 161 40.619 41.712 -1.093 1 1 1751 . 4 1 1 A 155 155 ASP N N 161 116.749 117.627 -0.878 1 1 1752 . 4 1 1 A 156 156 ALA H H 162 8.544 7.636 0.908 1 1 1753 . 4 1 1 A 156 156 ALA HA H 162 4.916 4.018 0.898 1 1 1757 . 4 1 1 A 156 156 ALA C C 162 177.708 176.897 0.811 1 1 1758 . 4 1 1 A 156 156 ALA CA C 162 49.878 53.425 -3.547 1 1 1759 . 4 1 1 A 156 156 ALA CB C 162 17.473 17.710 -0.237 1 1 1760 . 4 1 1 A 156 156 ALA N N 162 128.246 119.041 9.205 1 1 1761 . 4 1 1 A 157 157 GLY H H 163 8.406 8.595 -0.189 1 1 1762 . 4 1 1 A 157 157 GLY HA2 H 163 4.286 3.962 0.324 1 1 1763 . 4 1 1 A 157 157 GLY HA3 H 163 3.894 4.010 -0.116 1 1 1764 . 4 1 1 A 157 157 GLY C C 163 174.344 174.960 -0.616 1 1 1765 . 4 1 1 A 157 157 GLY CA C 163 45.049 45.194 -0.145 1 1 1766 . 4 1 1 A 157 157 GLY N N 163 106.545 104.002 2.543 1 1 1767 . 4 1 1 A 158 158 GLY H H 164 7.128 8.423 -1.295 1 1 1768 . 4 1 1 A 158 158 GLY HA2 H 164 4.118 3.943 0.175 1 1 1769 . 4 1 1 A 158 158 GLY HA3 H 164 3.641 3.948 -0.307 1 1 1770 . 4 1 1 A 158 158 GLY C C 164 173.903 173.691 0.212 1 1 1771 . 4 1 1 A 158 158 GLY CA C 164 45.225 46.957 -1.732 1 1 1772 . 4 1 1 A 158 158 GLY N N 164 106.404 107.263 -0.859 1 1 1773 . 4 1 1 A 159 159 LYS H H 165 9.647 7.912 1.735 1 1 1774 . 4 1 1 A 159 159 LYS HA H 165 5.052 4.298 0.754 1 1 1781 . 4 1 1 A 159 159 LYS C C 165 174.390 176.420 -2.030 1 1 1782 . 4 1 1 A 159 159 LYS CA C 165 53.501 56.757 -3.256 1 1 1783 . 4 1 1 A 159 159 LYS CB C 165 34.622 33.498 1.124 1 1 1786 . 4 1 1 A 159 159 LYS N N 165 123.930 122.013 1.917 1 1 1787 . 4 1 1 A 160 160 LEU H H 166 7.706 8.781 -1.075 1 1 1788 . 4 1 1 A 160 160 LEU HA H 166 4.873 5.311 -0.438 1 1 1798 . 4 1 1 A 160 160 LEU C C 166 174.825 175.185 -0.360 1 1 1799 . 4 1 1 A 160 160 LEU CA C 166 52.677 52.872 -0.195 1 1 1800 . 4 1 1 A 160 160 LEU CB C 166 44.629 46.124 -1.495 1 1 1804 . 4 1 1 A 160 160 LEU N N 166 126.271 120.101 6.170 1 1 1805 . 4 1 1 A 161 161 THR H H 167 8.374 8.933 -0.559 1 1 1806 . 4 1 1 A 161 161 THR HA H 167 4.949 5.129 -0.180 1 1 1811 . 4 1 1 A 161 161 THR C C 167 172.102 173.251 -1.149 1 1 1812 . 4 1 1 A 161 161 THR CA C 167 61.761 62.027 -0.266 1 1 1813 . 4 1 1 A 161 161 THR CB C 167 70.169 70.896 -0.727 1 1 1815 . 4 1 1 A 161 161 THR N N 167 122.977 115.388 7.589 1 1 1816 . 4 1 1 A 162 162 TYR H H 168 9.174 9.087 0.087 1 1 1817 . 4 1 1 A 162 162 TYR HA H 168 4.766 5.518 -0.752 1 1 1824 . 4 1 1 A 162 162 TYR C C 168 172.249 173.638 -1.389 1 1 1825 . 4 1 1 A 162 162 TYR CA C 168 58.162 57.022 1.140 1 1 1826 . 4 1 1 A 162 162 TYR CB C 168 43.746 42.517 1.229 1 1 1827 . 4 1 1 A 162 162 TYR N N 168 128.112 126.995 1.117 1 1 1828 . 4 1 1 A 163 163 THR H H 169 8.711 8.302 0.409 1 1 1829 . 4 1 1 A 163 163 THR HA H 169 5.402 5.295 0.107 1 1 1834 . 4 1 1 A 163 163 THR C C 169 172.520 171.749 0.771 1 1 1835 . 4 1 1 A 163 163 THR CA C 169 60.804 60.032 0.772 1 1 1836 . 4 1 1 A 163 163 THR CB C 169 70.818 71.706 -0.888 1 1 1838 . 4 1 1 A 163 163 THR N N 169 124.549 119.990 4.559 1 1 1839 . 4 1 1 A 164 164 ILE H H 170 8.927 8.754 0.173 1 1 1840 . 4 1 1 A 164 164 ILE HA H 170 4.313 4.958 -0.645 1 1 1850 . 4 1 1 A 164 164 ILE C C 170 173.105 174.007 -0.902 1 1 1851 . 4 1 1 A 164 164 ILE CA C 170 60.595 59.850 0.745 1 1 1852 . 4 1 1 A 164 164 ILE CB C 170 41.274 41.000 0.274 1 1 1856 . 4 1 1 A 164 164 ILE N N 170 123.685 127.052 -3.367 1 1 1857 . 4 1 1 A 165 165 ASP H H 171 8.372 9.115 -0.743 1 1 1858 . 4 1 1 A 165 165 ASP HA H 171 4.750 4.817 -0.067 1 1 1861 . 4 1 1 A 165 165 ASP C C 171 177.213 176.270 0.943 1 1 1862 . 4 1 1 A 165 165 ASP CA C 171 51.669 53.057 -1.388 1 1 1863 . 4 1 1 A 165 165 ASP CB C 171 41.730 38.633 3.097 1 1 1864 . 4 1 1 A 165 165 ASP N N 171 125.168 129.204 -4.036 1 1 1865 . 4 1 1 A 166 166 PHE H H 172 8.968 7.874 1.094 1 1 1866 . 4 1 1 A 166 166 PHE HA H 172 3.879 4.202 -0.323 1 1 1874 . 4 1 1 A 166 166 PHE C C 172 176.940 178.101 -1.161 1 1 1875 . 4 1 1 A 166 166 PHE CA C 172 61.543 60.711 0.832 1 1 1876 . 4 1 1 A 166 166 PHE CB C 172 37.424 38.739 -1.315 1 1 1877 . 4 1 1 A 166 166 PHE N N 172 123.597 121.268 2.329 1 1 1878 . 4 1 1 A 167 167 ALA H H 173 8.266 8.245 0.021 1 1 1879 . 4 1 1 A 167 167 ALA HA H 173 4.322 4.156 0.166 1 1 1883 . 4 1 1 A 167 167 ALA C C 173 178.888 178.007 0.881 1 1 1884 . 4 1 1 A 167 167 ALA CA C 173 54.458 54.813 -0.355 1 1 1885 . 4 1 1 A 167 167 ALA CB C 173 17.591 18.209 -0.618 1 1 1886 . 4 1 1 A 167 167 ALA N N 173 122.113 121.759 0.354 1 1 1887 . 4 1 1 A 168 168 ALA H H 174 7.405 7.832 -0.427 1 1 1888 . 4 1 1 A 168 168 ALA HA H 174 4.096 4.479 -0.383 1 1 1892 . 4 1 1 A 168 168 ALA C C 174 176.605 176.425 0.180 1 1 1893 . 4 1 1 A 168 168 ALA CA C 174 51.225 51.203 0.022 1 1 1894 . 4 1 1 A 168 168 ALA CB C 174 18.307 19.036 -0.729 1 1 1895 . 4 1 1 A 168 168 ALA N N 174 118.760 119.637 -0.877 1 1 1896 . 4 1 1 A 169 169 LYS H H 175 7.906 8.038 -0.132 1 1 1897 . 4 1 1 A 169 169 LYS HA H 175 3.391 3.982 -0.591 1 1 1904 . 4 1 1 A 169 169 LYS C C 175 174.608 174.968 -0.360 1 1 1905 . 4 1 1 A 169 169 LYS CA C 175 57.049 57.500 -0.451 1 1 1906 . 4 1 1 A 169 169 LYS CB C 175 30.051 29.373 0.678 1 1 1909 . 4 1 1 A 169 169 LYS N N 175 114.394 114.086 0.308 1 1 1910 . 4 1 1 A 170 170 GLN H H 176 7.629 7.450 0.179 1 1 1911 . 4 1 1 A 170 170 GLN HA H 176 5.414 4.755 0.659 1 1 1918 . 4 1 1 A 170 170 GLN C C 176 174.325 174.462 -0.137 1 1 1919 . 4 1 1 A 170 170 GLN CA C 176 54.393 54.725 -0.332 1 1 1920 . 4 1 1 A 170 170 GLN CB C 176 34.771 30.622 4.149 1 1 1922 . 4 1 1 A 170 170 GLN N N 176 116.433 117.172 -0.739 1 1 1924 . 4 1 1 A 171 171 GLY H H 177 8.854 9.176 -0.322 1 1 1925 . 4 1 1 A 171 171 GLY HA2 H 177 5.205 4.020 1.185 1 1 1926 . 4 1 1 A 171 171 GLY HA3 H 177 3.526 4.186 -0.660 1 1 1927 . 4 1 1 A 171 171 GLY C C 177 170.842 171.895 -1.053 1 1 1928 . 4 1 1 A 171 171 GLY CA C 177 44.621 45.151 -0.530 1 1 1929 . 4 1 1 A 171 171 GLY N N 177 110.189 112.817 -2.628 1 1 1930 . 4 1 1 A 172 172 ASN H H 178 7.637 8.743 -1.106 1 1 1931 . 4 1 1 A 172 172 ASN HA H 178 4.224 5.444 -1.220 1 1 1936 . 4 1 1 A 172 172 ASN C C 178 171.546 173.805 -2.259 1 1 1937 . 4 1 1 A 172 172 ASN CA C 178 53.729 50.953 2.776 1 1 1938 . 4 1 1 A 172 172 ASN CB C 178 41.543 42.445 -0.902 1 1 1939 . 4 1 1 A 172 172 ASN N N 178 112.667 122.077 -9.410 1 1 1941 . 4 1 1 A 173 173 GLY H H 179 9.103 8.346 0.757 1 1 1942 . 4 1 1 A 173 173 GLY HA2 H 179 4.491 4.271 0.220 1 1 1943 . 4 1 1 A 173 173 GLY HA3 H 179 4.084 4.319 -0.235 1 1 1944 . 4 1 1 A 173 173 GLY C C 179 172.400 171.723 0.677 1 1 1945 . 4 1 1 A 173 173 GLY CA C 179 47.199 46.073 1.126 1 1 1946 . 4 1 1 A 173 173 GLY N N 179 106.686 108.590 -1.904 1 1 1947 . 4 1 1 A 174 174 LYS H H 180 9.179 8.459 0.720 1 1 1948 . 4 1 1 A 174 174 LYS HA H 180 4.821 4.970 -0.149 1 1 1957 . 4 1 1 A 174 174 LYS C C 180 172.518 174.775 -2.257 1 1 1958 . 4 1 1 A 174 174 LYS CA C 180 56.617 55.152 1.465 1 1 1959 . 4 1 1 A 174 174 LYS CB C 180 35.373 35.768 -0.395 1 1 1963 . 4 1 1 A 174 174 LYS N N 180 121.816 116.103 5.713 1 1 1964 . 4 1 1 A 175 175 ILE H H 181 8.351 8.476 -0.125 1 1 1965 . 4 1 1 A 175 175 ILE HA H 181 4.581 4.425 0.156 1 1 1973 . 4 1 1 A 175 175 ILE C C 181 173.997 175.652 -1.655 1 1 1974 . 4 1 1 A 175 175 ILE CA C 181 60.490 60.713 -0.223 1 1 1975 . 4 1 1 A 175 175 ILE CB C 181 39.573 38.061 1.512 1 1 1978 . 4 1 1 A 175 175 ILE N N 181 123.400 123.724 -0.324 1 1 1979 . 4 1 1 A 176 176 GLU H H 182 8.492 8.509 -0.017 1 1 1980 . 4 1 1 A 176 176 GLU HA H 182 4.471 4.662 -0.191 1 1 1985 . 4 1 1 A 176 176 GLU C C 182 175.392 176.097 -0.705 1 1 1986 . 4 1 1 A 176 176 GLU CA C 182 53.410 55.829 -2.419 1 1 1987 . 4 1 1 A 176 176 GLU CB C 182 35.479 30.782 4.697 1 1 1989 . 4 1 1 A 176 176 GLU N N 182 122.287 125.595 -3.308 1 1 1990 . 4 1 1 A 177 177 HIS H H 183 8.431 8.120 0.311 1 1 1991 . 4 1 1 A 177 177 HIS HA H 183 3.975 4.695 -0.720 1 1 1996 . 4 1 1 A 177 177 HIS C C 183 176.008 175.250 0.758 1 1 1997 . 4 1 1 A 177 177 HIS CA C 183 57.533 55.852 1.681 1 1 1998 . 4 1 1 A 177 177 HIS CB C 183 27.362 29.938 -2.576 1 1 1999 . 4 1 1 A 177 177 HIS N N 183 109.605 121.770 -12.165 1 1 2000 . 4 1 1 A 178 178 LEU H H 184 9.603 7.716 1.887 1 1 2001 . 4 1 1 A 178 178 LEU HA H 184 4.276 4.416 -0.140 1 1 2011 . 4 1 1 A 178 178 LEU C C 184 178.805 177.893 0.912 1 1 2012 . 4 1 1 A 178 178 LEU CA C 184 56.034 53.850 2.184 1 1 2013 . 4 1 1 A 178 178 LEU CB C 184 39.882 42.000 -2.118 1 1 2017 . 4 1 1 A 178 178 LEU N N 184 124.374 121.524 2.850 1 1 2018 . 4 1 1 A 179 179 LYS H H 185 10.002 8.818 1.184 1 1 2019 . 4 1 1 A 179 179 LYS HA H 185 3.682 4.097 -0.415 1 1 2028 . 4 1 1 A 179 179 LYS C C 185 177.660 176.496 1.164 1 1 2029 . 4 1 1 A 179 179 LYS CA C 185 57.721 58.822 -1.101 1 1 2030 . 4 1 1 A 179 179 LYS CB C 185 31.949 32.097 -0.148 1 1 2034 . 4 1 1 A 179 179 LYS N N 185 122.880 121.000 1.880 1 1 2035 . 4 1 1 A 180 180 SER H H 186 7.262 7.927 -0.665 1 1 2036 . 4 1 1 A 180 180 SER HA H 186 4.672 4.931 -0.259 1 1 2039 . 4 1 1 A 180 180 SER C C 186 173.086 173.841 -0.755 1 1 2040 . 4 1 1 A 180 180 SER CA C 186 54.576 55.489 -0.913 1 1 2041 . 4 1 1 A 180 180 SER CB C 186 62.715 65.237 -2.522 1 1 2042 . 4 1 1 A 180 180 SER N N 186 115.187 115.182 0.005 1 1 2043 . 4 1 1 A 181 181 PRO HA H 187 3.956 4.344 -0.388 1 1 2050 . 4 1 1 A 181 181 PRO CA C 187 65.359 65.491 -0.132 1 1 2051 . 4 1 1 A 181 181 PRO CB C 187 32.061 31.776 0.285 1 1 2054 . 4 1 1 A 182 182 GLU H H 188 8.076 8.405 -0.329 1 1 2055 . 4 1 1 A 182 182 GLU HA H 188 3.011 4.290 -1.279 1 1 2060 . 4 1 1 A 182 182 GLU C C 188 173.944 177.408 -3.464 1 1 2061 . 4 1 1 A 182 182 GLU CA C 188 56.597 57.139 -0.542 1 1 2062 . 4 1 1 A 182 182 GLU CB C 188 29.581 29.393 0.188 1 1 2064 . 4 1 1 A 182 182 GLU N N 188 113.034 117.649 -4.615 1 1 2065 . 4 1 1 A 183 183 LEU H H 189 7.126 7.284 -0.158 1 1 2066 . 4 1 1 A 183 183 LEU HA H 189 3.970 4.303 -0.333 1 1 2076 . 4 1 1 A 183 183 LEU C C 189 175.597 176.844 -1.247 1 1 2077 . 4 1 1 A 183 183 LEU CA C 189 53.849 54.292 -0.443 1 1 2078 . 4 1 1 A 183 183 LEU CB C 189 41.152 42.507 -1.355 1 1 2082 . 4 1 1 A 183 183 LEU N N 189 112.896 120.302 -7.406 1 1 2083 . 4 1 1 A 184 184 ASN H H 190 6.952 7.570 -0.618 1 1 2084 . 4 1 1 A 184 184 ASN HA H 190 4.596 4.839 -0.243 1 1 2089 . 4 1 1 A 184 184 ASN C C 190 175.694 174.808 0.886 1 1 2090 . 4 1 1 A 184 184 ASN CA C 190 53.200 52.874 0.326 1 1 2091 . 4 1 1 A 184 184 ASN CB C 190 36.466 39.048 -2.582 1 1 2092 . 4 1 1 A 184 184 ASN N N 190 117.865 117.202 0.663 1 1 2094 . 4 1 1 A 185 185 VAL H H 191 7.178 8.537 -1.359 1 1 2095 . 4 1 1 A 185 185 VAL HA H 191 4.480 4.532 -0.052 1 1 2103 . 4 1 1 A 185 185 VAL C C 191 174.874 175.498 -0.624 1 1 2104 . 4 1 1 A 185 185 VAL CA C 191 59.753 60.827 -1.074 1 1 2105 . 4 1 1 A 185 185 VAL CB C 191 33.035 33.146 -0.111 1 1 2108 . 4 1 1 A 185 185 VAL N N 191 113.276 119.106 -5.830 1 1 2109 . 4 1 1 A 186 186 ASP H H 192 8.827 8.631 0.196 1 1 2110 . 4 1 1 A 186 186 ASP HA H 192 4.779 4.724 0.055 1 1 2113 . 4 1 1 A 186 186 ASP C C 192 174.919 175.261 -0.342 1 1 2114 . 4 1 1 A 186 186 ASP CA C 192 54.058 54.680 -0.622 1 1 2115 . 4 1 1 A 186 186 ASP CB C 192 41.635 41.428 0.207 1 1 2116 . 4 1 1 A 186 186 ASP N N 192 118.111 122.536 -4.425 1 1 2117 . 4 1 1 A 187 187 LEU H H 193 8.375 8.842 -0.467 1 1 2118 . 4 1 1 A 187 187 LEU HA H 193 4.146 4.961 -0.815 1 1 2127 . 4 1 1 A 187 187 LEU CA C 193 52.331 53.623 -1.292 1 1 2128 . 4 1 1 A 187 187 LEU CB C 193 38.187 44.480 -6.293 1 1 2131 . 4 1 1 A 187 187 LEU N N 193 123.130 125.366 -2.236 1 1 2132 . 4 1 1 A 188 188 ALA H H 194 8.225 8.618 -0.393 1 1 2133 . 4 1 1 A 188 188 ALA HA H 194 4.098 4.482 -0.384 1 1 2137 . 4 1 1 A 188 188 ALA C C 194 176.239 176.980 -0.741 1 1 2138 . 4 1 1 A 188 188 ALA CA C 194 52.498 51.700 0.798 1 1 2139 . 4 1 1 A 188 188 ALA CB C 194 20.030 19.121 0.909 1 1 2140 . 4 1 1 A 188 188 ALA N N 194 126.289 128.953 -2.664 1 1 2141 . 4 1 1 A 189 189 ALA H H 195 8.275 8.268 0.007 1 1 2142 . 4 1 1 A 189 189 ALA HA H 195 4.862 4.252 0.610 1 1 2146 . 4 1 1 A 189 189 ALA C C 195 178.131 178.064 0.067 1 1 2147 . 4 1 1 A 189 189 ALA CA C 195 51.822 53.163 -1.341 1 1 2148 . 4 1 1 A 189 189 ALA CB C 195 17.367 18.976 -1.609 1 1 2149 . 4 1 1 A 189 189 ALA N N 195 122.010 125.934 -3.924 1 1 2150 . 4 1 1 A 190 190 ALA H H 196 8.823 8.548 0.275 1 1 2151 . 4 1 1 A 190 190 ALA HA H 196 4.634 5.171 -0.537 1 1 2155 . 4 1 1 A 190 190 ALA C C 196 175.141 176.036 -0.895 1 1 2156 . 4 1 1 A 190 190 ALA CA C 196 50.420 50.743 -0.323 1 1 2157 . 4 1 1 A 190 190 ALA CB C 196 23.461 23.886 -0.425 1 1 2158 . 4 1 1 A 190 190 ALA N N 196 126.018 124.537 1.481 1 1 2159 . 4 1 1 A 191 191 ASP H H 197 8.365 8.677 -0.312 1 1 2160 . 4 1 1 A 191 191 ASP HA H 197 5.160 5.080 0.080 1 1 2163 . 4 1 1 A 191 191 ASP C C 197 176.028 175.887 0.141 1 1 2164 . 4 1 1 A 191 191 ASP CA C 197 54.034 51.806 2.228 1 1 2165 . 4 1 1 A 191 191 ASP CB C 197 41.691 42.135 -0.444 1 1 2166 . 4 1 1 A 191 191 ASP N N 197 118.646 118.872 -0.226 1 1 2167 . 4 1 1 A 192 192 ILE H H 198 7.915 8.454 -0.539 1 1 2168 . 4 1 1 A 192 192 ILE HA H 198 4.315 4.012 0.303 1 1 2178 . 4 1 1 A 192 192 ILE C C 198 174.684 176.518 -1.834 1 1 2179 . 4 1 1 A 192 192 ILE CA C 198 60.951 61.586 -0.635 1 1 2180 . 4 1 1 A 192 192 ILE CB C 198 41.989 37.246 4.743 1 1 2184 . 4 1 1 A 192 192 ILE N N 198 119.664 120.624 -0.960 1 1 2185 . 4 1 1 A 193 193 LYS H H 199 9.175 8.469 0.706 1 1 2186 . 4 1 1 A 193 193 LYS HA H 199 4.530 4.701 -0.171 1 1 2195 . 4 1 1 A 193 193 LYS C C 199 172.639 175.260 -2.621 1 1 2196 . 4 1 1 A 193 193 LYS CA C 199 53.361 54.380 -1.019 1 1 2197 . 4 1 1 A 193 193 LYS CB C 199 34.758 32.983 1.775 1 1 2201 . 4 1 1 A 193 193 LYS N N 199 127.122 127.135 -0.013 1 1 2202 . 4 1 1 A 195 195 ASP H H 201 8.390 8.896 -0.506 1 1 2203 . 4 1 1 A 195 195 ASP HA H 201 4.550 4.839 -0.289 1 1 2206 . 4 1 1 A 195 195 ASP C C 201 179.300 175.548 3.752 1 1 2207 . 4 1 1 A 195 195 ASP CA C 201 51.354 55.621 -4.267 1 1 2208 . 4 1 1 A 195 195 ASP CB C 201 40.324 43.298 -2.974 1 1 2209 . 4 1 1 A 195 195 ASP N N 201 123.239 121.441 1.798 1 1 2210 . 4 1 1 A 196 196 GLY HA2 H 202 3.718 4.210 -0.492 1 1 2211 . 4 1 1 A 196 196 GLY HA3 H 202 3.437 4.223 -0.786 1 1 2212 . 4 1 1 A 196 196 GLY CA C 202 46.527 44.597 1.930 1 1 2213 . 4 1 1 A 197 197 LYS H H 203 7.740 8.819 -1.079 1 1 2214 . 4 1 1 A 197 197 LYS HA H 203 4.118 4.123 -0.005 1 1 2221 . 4 1 1 A 197 197 LYS C C 203 174.941 176.625 -1.684 1 1 2222 . 4 1 1 A 197 197 LYS CA C 203 55.054 58.601 -3.547 1 1 2223 . 4 1 1 A 197 197 LYS CB C 203 31.192 31.992 -0.800 1 1 2226 . 4 1 1 A 197 197 LYS N N 203 120.305 119.949 0.356 1 1 2227 . 4 1 1 A 198 198 ARG H H 204 8.059 7.879 0.180 1 1 2228 . 4 1 1 A 198 198 ARG HA H 204 3.441 4.728 -1.287 1 1 2235 . 4 1 1 A 198 198 ARG C C 204 175.152 175.445 -0.293 1 1 2236 . 4 1 1 A 198 198 ARG CA C 204 56.911 55.603 1.308 1 1 2237 . 4 1 1 A 198 198 ARG CB C 204 26.584 31.574 -4.990 1 1 2240 . 4 1 1 A 198 198 ARG N N 204 111.796 114.212 -2.416 1 1 2241 . 4 1 1 A 199 199 HIS H H 205 8.531 7.779 0.752 1 1 2242 . 4 1 1 A 199 199 HIS HA H 205 4.812 5.125 -0.313 1 1 2247 . 4 1 1 A 199 199 HIS C C 205 174.866 174.429 0.437 1 1 2248 . 4 1 1 A 199 199 HIS CA C 205 53.700 54.454 -0.754 1 1 2249 . 4 1 1 A 199 199 HIS CB C 205 27.838 29.996 -2.158 1 1 2250 . 4 1 1 A 199 199 HIS N N 205 120.255 119.195 1.060 1 1 2251 . 4 1 1 A 200 200 ALA H H 206 8.492 8.471 0.021 1 1 2252 . 4 1 1 A 200 200 ALA HA H 206 4.615 4.874 -0.259 1 1 2256 . 4 1 1 A 200 200 ALA C C 206 175.840 176.438 -0.598 1 1 2257 . 4 1 1 A 200 200 ALA CA C 206 52.247 51.009 1.238 1 1 2258 . 4 1 1 A 200 200 ALA CB C 206 19.838 20.780 -0.942 1 1 2259 . 4 1 1 A 200 200 ALA N N 206 123.237 127.312 -4.075 1 1 2260 . 4 1 1 A 201 201 VAL H H 207 9.174 8.349 0.825 1 1 2261 . 4 1 1 A 201 201 VAL HA H 207 4.976 4.841 0.135 1 1 2269 . 4 1 1 A 201 201 VAL C C 207 173.390 174.590 -1.200 1 1 2270 . 4 1 1 A 201 201 VAL CA C 207 60.775 60.579 0.196 1 1 2271 . 4 1 1 A 201 201 VAL CB C 207 35.488 35.900 -0.412 1 1 2274 . 4 1 1 A 201 201 VAL N N 207 123.250 119.960 3.290 1 1 2275 . 4 1 1 A 202 202 ILE H H 208 8.887 8.837 0.050 1 1 2276 . 4 1 1 A 202 202 ILE HA H 208 4.312 4.828 -0.516 1 1 2286 . 4 1 1 A 202 202 ILE C C 208 174.670 174.734 -0.064 1 1 2287 . 4 1 1 A 202 202 ILE CA C 208 60.815 59.766 1.049 1 1 2288 . 4 1 1 A 202 202 ILE CB C 208 41.576 39.554 2.022 1 1 2292 . 4 1 1 A 202 202 ILE N N 208 122.699 126.962 -4.263 1 1 2293 . 4 1 1 A 203 203 SER H H 209 8.416 8.831 -0.415 1 1 2294 . 4 1 1 A 203 203 SER HA H 209 4.913 5.357 -0.444 1 1 2297 . 4 1 1 A 203 203 SER C C 209 172.984 173.218 -0.234 1 1 2298 . 4 1 1 A 203 203 SER CA C 209 55.676 56.712 -1.036 1 1 2299 . 4 1 1 A 203 203 SER CB C 209 64.355 65.482 -1.127 1 1 2300 . 4 1 1 A 203 203 SER N N 209 122.067 121.343 0.724 1 1 2301 . 4 1 1 A 204 204 GLY H H 210 7.292 8.843 -1.551 1 1 2302 . 4 1 1 A 204 204 GLY HA2 H 210 4.432 4.445 -0.013 1 1 2303 . 4 1 1 A 204 204 GLY HA3 H 210 3.352 4.583 -1.231 1 1 2304 . 4 1 1 A 204 204 GLY C C 210 172.482 172.634 -0.152 1 1 2305 . 4 1 1 A 204 204 GLY CA C 210 45.167 45.259 -0.092 1 1 2306 . 4 1 1 A 204 204 GLY N N 210 110.488 112.119 -1.631 1 1 2307 . 4 1 1 A 205 205 SER H H 211 8.652 8.605 0.047 1 1 2308 . 4 1 1 A 205 205 SER HA H 211 5.027 5.345 -0.318 1 1 2311 . 4 1 1 A 205 205 SER C C 211 172.852 173.138 -0.286 1 1 2312 . 4 1 1 A 205 205 SER CA C 211 58.806 57.603 1.203 1 1 2313 . 4 1 1 A 205 205 SER CB C 211 64.384 65.802 -1.418 1 1 2314 . 4 1 1 A 205 205 SER N N 211 116.497 117.095 -0.598 1 1 2315 . 4 1 1 A 206 206 VAL H H 212 7.400 8.329 -0.929 1 1 2316 . 4 1 1 A 206 206 VAL HA H 212 5.032 4.482 0.550 1 1 2324 . 4 1 1 A 206 206 VAL C C 212 174.500 175.247 -0.747 1 1 2325 . 4 1 1 A 206 206 VAL CA C 212 58.764 61.061 -2.297 1 1 2326 . 4 1 1 A 206 206 VAL CB C 212 30.512 35.947 -5.435 1 1 2329 . 4 1 1 A 206 206 VAL N N 212 117.101 123.000 -5.899 1 1 2330 . 4 1 1 A 207 207 LEU H H 213 8.961 8.584 0.377 1 1 2331 . 4 1 1 A 207 207 LEU HA H 213 5.312 4.597 0.715 1 1 2341 . 4 1 1 A 207 207 LEU C C 213 175.520 175.699 -0.179 1 1 2342 . 4 1 1 A 207 207 LEU CA C 213 52.630 54.493 -1.863 1 1 2343 . 4 1 1 A 207 207 LEU CB C 213 45.567 42.364 3.203 1 1 2347 . 4 1 1 A 207 207 LEU N N 213 124.185 127.321 -3.136 1 1 2348 . 4 1 1 A 208 208 TYR H H 214 8.836 8.926 -0.090 1 1 2349 . 4 1 1 A 208 208 TYR HA H 214 4.766 4.872 -0.106 1 1 2356 . 4 1 1 A 208 208 TYR C C 214 175.964 174.886 1.078 1 1 2357 . 4 1 1 A 208 208 TYR CA C 214 56.943 57.627 -0.684 1 1 2358 . 4 1 1 A 208 208 TYR CB C 214 41.736 41.895 -0.159 1 1 2359 . 4 1 1 A 208 208 TYR N N 214 120.202 120.305 -0.103 1 1 2360 . 4 1 1 A 209 209 ASN H H 215 9.292 9.159 0.133 1 1 2361 . 4 1 1 A 209 209 ASN HA H 215 4.001 4.312 -0.311 1 1 2366 . 4 1 1 A 209 209 ASN C C 215 174.336 174.681 -0.345 1 1 2367 . 4 1 1 A 209 209 ASN CA C 215 53.923 54.550 -0.627 1 1 2368 . 4 1 1 A 209 209 ASN CB C 215 36.468 36.869 -0.401 1 1 2369 . 4 1 1 A 209 209 ASN N N 215 129.805 126.058 3.747 1 1 2371 . 4 1 1 A 210 210 GLN H H 216 8.614 8.451 0.163 1 1 2372 . 4 1 1 A 210 210 GLN HA H 216 3.453 3.871 -0.418 1 1 2379 . 4 1 1 A 210 210 GLN C C 216 173.521 174.640 -1.119 1 1 2380 . 4 1 1 A 210 210 GLN CA C 216 57.881 57.203 0.678 1 1 2381 . 4 1 1 A 210 210 GLN CB C 216 26.089 26.482 -0.393 1 1 2383 . 4 1 1 A 210 210 GLN N N 216 106.396 109.151 -2.755 1 1 2385 . 4 1 1 A 211 211 ALA H H 217 7.657 7.611 0.046 1 1 2386 . 4 1 1 A 211 211 ALA HA H 217 4.608 4.579 0.029 1 1 2390 . 4 1 1 A 211 211 ALA C C 217 176.432 176.967 -0.535 1 1 2391 . 4 1 1 A 211 211 ALA CA C 217 50.786 51.037 -0.251 1 1 2392 . 4 1 1 A 211 211 ALA CB C 217 20.499 21.256 -0.757 1 1 2393 . 4 1 1 A 211 211 ALA N N 217 123.338 118.294 5.044 1 1 2394 . 4 1 1 A 212 212 GLU H H 218 8.712 8.745 -0.033 1 1 2395 . 4 1 1 A 212 212 GLU HA H 218 4.525 4.204 0.321 1 1 2400 . 4 1 1 A 212 212 GLU C C 218 177.924 174.529 3.395 1 1 2401 . 4 1 1 A 212 212 GLU CA C 218 57.550 58.394 -0.844 1 1 2402 . 4 1 1 A 212 212 GLU CB C 218 28.811 29.022 -0.211 1 1 2404 . 4 1 1 A 212 212 GLU N N 218 122.631 116.911 5.720 1 1 2405 . 4 1 1 A 213 213 LYS H H 219 8.835 8.483 0.352 1 1 2406 . 4 1 1 A 213 213 LYS HA H 219 4.612 4.833 -0.221 1 1 2415 . 4 1 1 A 213 213 LYS C C 219 173.786 175.381 -1.595 1 1 2416 . 4 1 1 A 213 213 LYS CA C 219 53.115 55.472 -2.357 1 1 2417 . 4 1 1 A 213 213 LYS CB C 219 34.180 34.655 -0.475 1 1 2421 . 4 1 1 A 213 213 LYS N N 219 126.870 120.859 6.011 1 1 2422 . 4 1 1 A 214 214 GLY H H 220 7.929 9.324 -1.395 1 1 2423 . 4 1 1 A 214 214 GLY HA2 H 220 5.469 4.141 1.328 1 1 2424 . 4 1 1 A 214 214 GLY HA3 H 220 3.719 4.156 -0.437 1 1 2425 . 4 1 1 A 214 214 GLY C C 220 173.926 172.978 0.948 1 1 2426 . 4 1 1 A 214 214 GLY CA C 220 44.536 44.077 0.459 1 1 2427 . 4 1 1 A 214 214 GLY N N 220 107.019 114.286 -7.267 1 1 2428 . 4 1 1 A 215 215 SER H H 221 8.678 8.491 0.187 1 1 2429 . 4 1 1 A 215 215 SER HA H 221 5.460 5.447 0.013 1 1 2432 . 4 1 1 A 215 215 SER C C 221 171.043 172.810 -1.767 1 1 2433 . 4 1 1 A 215 215 SER CA C 221 56.810 57.204 -0.394 1 1 2434 . 4 1 1 A 215 215 SER CB C 221 66.671 66.365 0.306 1 1 2435 . 4 1 1 A 215 215 SER N N 221 117.334 114.286 3.048 1 1 2436 . 4 1 1 A 216 216 TYR H H 222 8.958 9.161 -0.203 1 1 2437 . 4 1 1 A 216 216 TYR HA H 222 5.389 5.603 -0.214 1 1 2445 . 4 1 1 A 216 216 TYR C C 222 172.789 173.657 -0.868 1 1 2446 . 4 1 1 A 216 216 TYR CA C 222 55.819 55.697 0.122 1 1 2447 . 4 1 1 A 216 216 TYR CB C 222 41.681 42.549 -0.868 1 1 2448 . 4 1 1 A 216 216 TYR N N 222 117.645 118.845 -1.200 1 1 2449 . 4 1 1 A 217 217 SER H H 223 8.837 8.990 -0.153 1 1 2450 . 4 1 1 A 217 217 SER HA H 223 5.165 5.111 0.054 1 1 2453 . 4 1 1 A 217 217 SER C C 223 173.125 172.784 0.341 1 1 2454 . 4 1 1 A 217 217 SER CA C 223 56.600 57.314 -0.714 1 1 2455 . 4 1 1 A 217 217 SER CB C 223 64.500 65.925 -1.425 1 1 2456 . 4 1 1 A 217 217 SER N N 223 115.593 115.940 -0.347 1 1 2457 . 4 1 1 A 218 218 LEU H H 224 9.299 8.643 0.656 1 1 2458 . 4 1 1 A 218 218 LEU HA H 224 4.748 5.000 -0.252 1 1 2468 . 4 1 1 A 218 218 LEU C C 224 175.567 175.936 -0.369 1 1 2469 . 4 1 1 A 218 218 LEU CA C 224 53.138 52.997 0.141 1 1 2470 . 4 1 1 A 218 218 LEU CB C 224 46.255 46.135 0.120 1 1 2474 . 4 1 1 A 218 218 LEU N N 224 123.523 125.870 -2.347 1 1 2475 . 4 1 1 A 219 219 GLY H H 225 9.041 8.610 0.431 1 1 2476 . 4 1 1 A 219 219 GLY HA2 H 225 4.620 3.969 0.651 1 1 2477 . 4 1 1 A 219 219 GLY HA3 H 225 3.413 4.114 -0.701 1 1 2478 . 4 1 1 A 219 219 GLY C C 225 171.514 171.347 0.167 1 1 2479 . 4 1 1 A 219 219 GLY CA C 225 43.777 43.701 0.076 1 1 2480 . 4 1 1 A 219 219 GLY N N 225 108.999 109.014 -0.015 1 1 2481 . 4 1 1 A 220 220 ILE H H 226 6.853 8.373 -1.520 1 1 2482 . 4 1 1 A 220 220 ILE HA H 226 4.615 4.664 -0.049 1 1 2492 . 4 1 1 A 220 220 ILE C C 226 174.750 174.725 0.025 1 1 2493 . 4 1 1 A 220 220 ILE CA C 226 60.421 59.890 0.531 1 1 2494 . 4 1 1 A 220 220 ILE CB C 226 38.213 39.207 -0.994 1 1 2498 . 4 1 1 A 220 220 ILE N N 226 120.223 120.922 -0.699 1 1 2499 . 4 1 1 A 221 221 PHE H H 227 9.392 8.514 0.878 1 1 2500 . 4 1 1 A 221 221 PHE HA H 227 4.770 5.097 -0.327 1 1 2507 . 4 1 1 A 221 221 PHE C C 227 175.093 175.543 -0.450 1 1 2508 . 4 1 1 A 221 221 PHE CA C 227 58.053 56.451 1.602 1 1 2509 . 4 1 1 A 221 221 PHE CB C 227 42.505 42.296 0.209 1 1 2510 . 4 1 1 A 221 221 PHE N N 227 128.229 125.540 2.689 1 1 2511 . 4 1 1 A 222 222 GLY H H 228 8.675 8.586 0.089 1 1 2512 . 4 1 1 A 222 222 GLY HA2 H 228 3.174 3.736 -0.562 1 1 2513 . 4 1 1 A 222 222 GLY HA3 H 228 4.311 3.853 0.458 1 1 2514 . 4 1 1 A 222 222 GLY CA C 228 42.438 44.839 -2.401 1 1 2515 . 4 1 1 A 222 222 GLY N N 228 104.634 110.381 -5.747 1 1 2516 . 4 1 1 A 223 223 GLY CA C 229 46.870 46.818 0.052 1 1 2517 . 4 1 1 A 224 224 LYS H H 230 8.366 7.907 0.459 1 1 2518 . 4 1 1 A 224 224 LYS HA H 230 4.305 4.610 -0.305 1 1 2523 . 4 1 1 A 224 224 LYS C C 230 174.717 176.152 -1.435 1 1 2524 . 4 1 1 A 224 224 LYS CA C 230 54.119 57.405 -3.286 1 1 2525 . 4 1 1 A 224 224 LYS CB C 230 30.821 35.315 -4.494 1 1 2527 . 4 1 1 A 224 224 LYS N N 230 118.720 119.008 -0.288 1 1 2528 . 4 1 1 A 225 225 ALA H H 231 7.633 7.684 -0.051 1 1 2529 . 4 1 1 A 225 225 ALA HA H 231 3.810 4.714 -0.904 1 1 2533 . 4 1 1 A 225 225 ALA C C 231 176.702 177.921 -1.219 1 1 2534 . 4 1 1 A 225 225 ALA CA C 231 51.868 51.462 0.406 1 1 2535 . 4 1 1 A 225 225 ALA CB C 231 16.117 19.607 -3.490 1 1 2536 . 4 1 1 A 225 225 ALA N N 231 118.077 120.752 -2.675 1 1 2537 . 4 1 1 A 226 226 GLN H H 232 9.387 8.056 1.331 1 1 2538 . 4 1 1 A 226 226 GLN HA H 232 3.877 4.234 -0.357 1 1 2543 . 4 1 1 A 226 226 GLN C C 232 175.992 175.745 0.247 1 1 2544 . 4 1 1 A 226 226 GLN CA C 232 60.989 58.124 2.865 1 1 2545 . 4 1 1 A 226 226 GLN CB C 232 28.695 29.906 -1.211 1 1 2547 . 4 1 1 A 226 226 GLN N N 232 117.991 118.405 -0.414 1 1 2548 . 4 1 1 A 227 227 GLU H H 233 8.825 7.836 0.989 1 1 2549 . 4 1 1 A 227 227 GLU HA H 233 5.411 4.740 0.671 1 1 2554 . 4 1 1 A 227 227 GLU C C 233 174.939 173.376 1.563 1 1 2555 . 4 1 1 A 227 227 GLU CA C 233 54.289 55.473 -1.184 1 1 2556 . 4 1 1 A 227 227 GLU CB C 233 33.797 31.700 2.097 1 1 2558 . 4 1 1 A 227 227 GLU N N 233 116.638 114.573 2.065 1 1 2559 . 4 1 1 A 228 228 VAL H H 234 8.343 8.085 0.258 1 1 2560 . 4 1 1 A 228 228 VAL HA H 234 5.544 4.867 0.677 1 1 2568 . 4 1 1 A 228 228 VAL C C 234 174.839 174.252 0.587 1 1 2569 . 4 1 1 A 228 228 VAL CA C 234 57.867 60.233 -2.366 1 1 2570 . 4 1 1 A 228 228 VAL CB C 234 35.379 35.101 0.278 1 1 2573 . 4 1 1 A 228 228 VAL N N 234 109.304 119.471 -10.167 1 1 2574 . 4 1 1 A 229 229 ALA H H 235 8.475 8.133 0.342 1 1 2575 . 4 1 1 A 229 229 ALA HA H 235 4.937 4.714 0.223 1 1 2579 . 4 1 1 A 229 229 ALA C C 235 176.417 175.894 0.523 1 1 2580 . 4 1 1 A 229 229 ALA CA C 235 51.303 51.303 0.000 1 1 2581 . 4 1 1 A 229 229 ALA CB C 235 20.301 22.416 -2.115 1 1 2582 . 4 1 1 A 229 229 ALA N N 235 120.653 125.287 -4.634 1 1 2583 . 4 1 1 A 230 230 GLY H H 236 9.361 8.208 1.153 1 1 2584 . 4 1 1 A 230 230 GLY HA2 H 236 5.075 4.164 0.911 1 1 2585 . 4 1 1 A 230 230 GLY HA3 H 236 4.017 4.195 -0.178 1 1 2586 . 4 1 1 A 230 230 GLY C C 236 170.130 171.932 -1.802 1 1 2587 . 4 1 1 A 230 230 GLY CA C 236 46.221 45.880 0.341 1 1 2588 . 4 1 1 A 230 230 GLY N N 236 111.104 106.425 4.679 1 1 2589 . 4 1 1 A 231 231 SER H H 237 8.889 8.588 0.301 1 1 2590 . 4 1 1 A 231 231 SER HA H 237 5.276 5.346 -0.070 1 1 2593 . 4 1 1 A 231 231 SER C C 237 171.360 172.885 -1.525 1 1 2594 . 4 1 1 A 231 231 SER CA C 237 56.498 57.390 -0.892 1 1 2595 . 4 1 1 A 231 231 SER CB C 237 66.398 66.279 0.119 1 1 2596 . 4 1 1 A 231 231 SER N N 237 115.308 115.728 -0.420 1 1 2597 . 4 1 1 A 232 232 ALA H H 238 9.083 8.792 0.291 1 1 2598 . 4 1 1 A 232 232 ALA HA H 238 5.148 5.343 -0.195 1 1 2602 . 4 1 1 A 232 232 ALA C C 238 174.537 175.641 -1.104 1 1 2603 . 4 1 1 A 232 232 ALA CA C 238 49.904 50.981 -1.077 1 1 2604 . 4 1 1 A 232 232 ALA CB C 238 21.729 22.218 -0.489 1 1 2605 . 4 1 1 A 232 232 ALA N N 238 119.911 123.186 -3.275 1 1 2606 . 4 1 1 A 233 233 GLU H H 239 9.015 8.811 0.204 1 1 2607 . 4 1 1 A 233 233 GLU HA H 239 4.631 5.050 -0.419 1 1 2612 . 4 1 1 A 233 233 GLU C C 239 174.122 175.234 -1.112 1 1 2613 . 4 1 1 A 233 233 GLU CA C 239 54.786 54.554 0.232 1 1 2614 . 4 1 1 A 233 233 GLU CB C 239 31.355 32.697 -1.342 1 1 2616 . 4 1 1 A 233 233 GLU N N 239 122.744 123.093 -0.349 1 1 2617 . 4 1 1 A 234 234 VAL H H 240 8.792 8.919 -0.127 1 1 2618 . 4 1 1 A 234 234 VAL HA H 240 4.394 4.709 -0.315 1 1 2623 . 4 1 1 A 234 234 VAL C C 240 174.833 173.865 0.968 1 1 2624 . 4 1 1 A 234 234 VAL CA C 240 61.427 59.464 1.963 1 1 2625 . 4 1 1 A 234 234 VAL CB C 240 33.863 35.627 -1.764 1 1 2627 . 4 1 1 A 234 234 VAL N N 240 124.203 120.864 3.339 1 1 2628 . 4 1 1 A 235 235 LYS H H 241 8.841 8.441 0.400 1 1 2629 . 4 1 1 A 235 235 LYS HA H 241 3.981 4.825 -0.844 1 1 2638 . 4 1 1 A 235 235 LYS C C 241 174.548 175.634 -1.086 1 1 2639 . 4 1 1 A 235 235 LYS CA C 241 55.955 55.991 -0.036 1 1 2640 . 4 1 1 A 235 235 LYS CB C 241 32.100 33.895 -1.795 1 1 2644 . 4 1 1 A 235 235 LYS N N 241 127.554 126.750 0.804 1 1 2645 . 4 1 1 A 236 236 THR H H 242 7.212 8.570 -1.358 1 1 2646 . 4 1 1 A 236 236 THR HA H 242 4.355 5.064 -0.709 1 1 2651 . 4 1 1 A 236 236 THR C C 242 176.482 174.861 1.621 1 1 2652 . 4 1 1 A 236 236 THR CA C 242 61.054 59.760 1.294 1 1 2653 . 4 1 1 A 236 236 THR CB C 242 72.642 71.415 1.227 1 1 2655 . 4 1 1 A 236 236 THR N N 242 114.463 113.689 0.774 1 1 2656 . 4 1 1 A 237 237 VAL H H 243 9.582 8.711 0.871 1 1 2657 . 4 1 1 A 237 237 VAL HA H 243 3.849 3.849 0.000 1 1 2665 . 4 1 1 A 237 237 VAL C C 243 176.201 176.559 -0.358 1 1 2666 . 4 1 1 A 237 237 VAL CA C 243 64.701 65.067 -0.366 1 1 2667 . 4 1 1 A 237 237 VAL CB C 243 31.028 31.444 -0.416 1 1 2669 . 4 1 1 A 237 237 VAL N N 243 120.670 124.404 -3.734 1 1 2670 . 4 1 1 A 238 238 ASN H H 244 7.572 7.817 -0.245 1 1 2671 . 4 1 1 A 238 238 ASN HA H 244 4.882 4.764 0.118 1 1 2676 . 4 1 1 A 238 238 ASN C C 244 173.835 175.565 -1.730 1 1 2677 . 4 1 1 A 238 238 ASN CA C 244 52.022 53.072 -1.050 1 1 2678 . 4 1 1 A 238 238 ASN CB C 244 39.176 39.344 -0.168 1 1 2679 . 4 1 1 A 238 238 ASN N N 244 115.638 118.754 -3.116 1 1 2681 . 4 1 1 A 239 239 GLY H H 245 7.362 7.986 -0.624 1 1 2682 . 4 1 1 A 239 239 GLY HA2 H 245 4.539 4.074 0.465 1 1 2683 . 4 1 1 A 239 239 GLY HA3 H 245 3.728 4.083 -0.355 1 1 2684 . 4 1 1 A 239 239 GLY C C 245 174.343 172.059 2.284 1 1 2685 . 4 1 1 A 239 239 GLY CA C 245 43.316 45.135 -1.819 1 1 2686 . 4 1 1 A 239 239 GLY N N 245 107.650 106.207 1.443 1 1 2687 . 4 1 1 A 240 240 ILE H H 246 8.672 8.410 0.262 1 1 2688 . 4 1 1 A 240 240 ILE HA H 246 4.351 5.020 -0.669 1 1 2698 . 4 1 1 A 240 240 ILE C C 246 176.899 172.971 3.928 1 1 2699 . 4 1 1 A 240 240 ILE CA C 246 61.120 58.695 2.425 1 1 2700 . 4 1 1 A 240 240 ILE CB C 246 36.906 42.278 -5.372 1 1 2704 . 4 1 1 A 240 240 ILE N N 246 122.673 125.042 -2.369 1 1 2705 . 4 1 1 A 241 241 ARG H H 247 9.233 8.911 0.322 1 1 2706 . 4 1 1 A 241 241 ARG HA H 247 4.370 5.115 -0.745 1 1 2713 . 4 1 1 A 241 241 ARG C C 247 173.925 174.594 -0.669 1 1 2714 . 4 1 1 A 241 241 ARG CA C 247 53.461 54.013 -0.552 1 1 2715 . 4 1 1 A 241 241 ARG CB C 247 31.910 34.162 -2.252 1 1 2718 . 4 1 1 A 241 241 ARG N N 247 128.497 127.770 0.727 1 1 2719 . 4 1 1 A 242 242 HIS H H 248 8.519 8.926 -0.407 1 1 2720 . 4 1 1 A 242 242 HIS HA H 248 5.323 5.317 0.006 1 1 2725 . 4 1 1 A 242 242 HIS C C 248 174.635 174.661 -0.026 1 1 2726 . 4 1 1 A 242 242 HIS CA C 248 55.759 54.307 1.452 1 1 2727 . 4 1 1 A 242 242 HIS CB C 248 32.921 32.622 0.299 1 1 2728 . 4 1 1 A 242 242 HIS N N 248 121.131 120.686 0.445 1 1 2729 . 4 1 1 A 243 243 ILE H H 249 8.723 8.844 -0.121 1 1 2730 . 4 1 1 A 243 243 ILE HA H 249 4.522 4.556 -0.034 1 1 2740 . 4 1 1 A 243 243 ILE C C 249 176.188 175.485 0.703 1 1 2741 . 4 1 1 A 243 243 ILE CA C 249 58.524 59.800 -1.276 1 1 2742 . 4 1 1 A 243 243 ILE CB C 249 41.977 41.890 0.087 1 1 2746 . 4 1 1 A 243 243 ILE N N 249 119.438 123.130 -3.692 1 1 2747 . 4 1 1 A 244 244 GLY H H 250 9.351 8.705 0.646 1 1 2748 . 4 1 1 A 244 244 GLY HA2 H 250 3.707 3.015 0.692 1 1 2749 . 4 1 1 A 244 244 GLY HA3 H 250 2.119 3.833 -1.714 1 1 2750 . 4 1 1 A 244 244 GLY C C 250 170.981 171.828 -0.847 1 1 2751 . 4 1 1 A 244 244 GLY CA C 250 44.178 44.081 0.097 1 1 2752 . 4 1 1 A 244 244 GLY N N 250 113.700 114.859 -1.159 1 1 2753 . 4 1 1 A 245 245 LEU H H 251 7.833 8.408 -0.575 1 1 2754 . 4 1 1 A 245 245 LEU HA H 251 4.717 5.106 -0.389 1 1 2764 . 4 1 1 A 245 245 LEU C C 251 174.501 175.608 -1.107 1 1 2765 . 4 1 1 A 245 245 LEU CA C 251 52.508 53.497 -0.989 1 1 2766 . 4 1 1 A 245 245 LEU CB C 251 46.764 44.076 2.688 1 1 2770 . 4 1 1 A 245 245 LEU N N 251 120.798 124.160 -3.362 1 1 2771 . 4 1 1 A 246 246 ALA H H 252 7.906 8.629 -0.723 1 1 2772 . 4 1 1 A 246 246 ALA HA H 252 4.589 4.829 -0.240 1 1 2776 . 4 1 1 A 246 246 ALA C C 252 173.363 175.590 -2.227 1 1 2777 . 4 1 1 A 246 246 ALA CA C 252 51.546 51.289 0.257 1 1 2778 . 4 1 1 A 246 246 ALA CB C 252 21.524 22.133 -0.609 1 1 2779 . 4 1 1 A 246 246 ALA N N 252 122.885 123.886 -1.001 1 1 2780 . 4 1 1 A 247 247 ALA H H 253 9.041 7.985 1.056 1 1 2781 . 4 1 1 A 247 247 ALA HA H 253 4.726 4.614 0.112 1 1 2785 . 4 1 1 A 247 247 ALA C C 253 174.897 174.955 -0.058 1 1 2786 . 4 1 1 A 247 247 ALA CA C 253 51.723 51.101 0.622 1 1 2787 . 4 1 1 A 247 247 ALA CB C 253 22.967 20.183 2.784 1 1 2788 . 4 1 1 A 247 247 ALA N N 253 122.967 120.867 2.100 1 1 2789 . 4 1 1 A 248 248 LYS H H 254 8.171 8.785 -0.614 1 1 2790 . 4 1 1 A 248 248 LYS HA H 254 5.731 4.803 0.928 1 1 2797 . 4 1 1 A 248 248 LYS C C 254 175.094 174.738 0.356 1 1 2798 . 4 1 1 A 248 248 LYS CA C 254 53.866 55.210 -1.344 1 1 2799 . 4 1 1 A 248 248 LYS CB C 254 36.312 36.629 -0.317 1 1 2802 . 4 1 1 A 248 248 LYS N N 254 115.734 117.764 -2.030 1 1 60 . 5 1 1 A 9 9 GLY H H 15 8.346 8.881 -0.535 1 1 61 . 5 1 1 A 9 9 GLY HA2 H 15 4.021 3.859 0.162 1 1 62 . 5 1 1 A 9 9 GLY HA3 H 15 3.772 3.864 -0.092 1 1 63 . 5 1 1 A 9 9 GLY C C 15 174.259 175.325 -1.066 1 1 64 . 5 1 1 A 9 9 GLY CA C 15 45.581 46.654 -1.073 1 1 65 . 5 1 1 A 9 9 GLY N N 15 107.368 109.721 -2.353 1 1 66 . 5 1 1 A 10 10 LEU H H 16 7.224 7.819 -0.595 1 1 67 . 5 1 1 A 10 10 LEU HA H 16 3.736 4.020 -0.284 1 1 77 . 5 1 1 A 10 10 LEU C C 16 178.202 179.030 -0.828 1 1 78 . 5 1 1 A 10 10 LEU CA C 16 57.915 57.281 0.634 1 1 79 . 5 1 1 A 10 10 LEU CB C 16 40.686 41.131 -0.445 1 1 83 . 5 1 1 A 10 10 LEU N N 16 117.616 123.179 -5.563 1 1 84 . 5 1 1 A 11 11 ALA H H 17 7.860 7.848 0.012 1 1 85 . 5 1 1 A 11 11 ALA HA H 17 3.937 4.149 -0.212 1 1 89 . 5 1 1 A 11 11 ALA C C 17 181.090 178.823 2.267 1 1 90 . 5 1 1 A 11 11 ALA CA C 17 54.860 55.260 -0.400 1 1 91 . 5 1 1 A 11 11 ALA CB C 17 17.248 17.975 -0.727 1 1 92 . 5 1 1 A 11 11 ALA N N 17 117.757 122.205 -4.448 1 1 93 . 5 1 1 A 12 12 ASP H H 18 8.017 8.398 -0.381 1 1 94 . 5 1 1 A 12 12 ASP HA H 18 4.223 4.549 -0.326 1 1 97 . 5 1 1 A 12 12 ASP C C 18 177.941 178.040 -0.099 1 1 98 . 5 1 1 A 12 12 ASP CA C 18 56.341 57.022 -0.681 1 1 99 . 5 1 1 A 12 12 ASP CB C 18 39.312 41.632 -2.320 1 1 100 . 5 1 1 A 12 12 ASP N N 18 118.410 118.645 -0.235 1 1 101 . 5 1 1 A 13 13 ALA H H 19 8.205 7.596 0.609 1 1 102 . 5 1 1 A 13 13 ALA HA H 19 3.952 4.238 -0.286 1 1 106 . 5 1 1 A 13 13 ALA C C 19 178.856 178.736 0.120 1 1 107 . 5 1 1 A 13 13 ALA CA C 19 55.039 54.246 0.793 1 1 108 . 5 1 1 A 13 13 ALA CB C 19 17.779 18.507 -0.728 1 1 109 . 5 1 1 A 13 13 ALA N N 19 121.480 121.236 0.244 1 1 110 . 5 1 1 A 14 14 LEU H H 20 7.217 7.345 -0.128 1 1 111 . 5 1 1 A 14 14 LEU HA H 20 4.258 4.187 0.071 1 1 121 . 5 1 1 A 14 14 LEU C C 20 177.544 178.854 -1.310 1 1 122 . 5 1 1 A 14 14 LEU CA C 20 55.511 56.784 -1.273 1 1 123 . 5 1 1 A 14 14 LEU CB C 20 42.176 42.375 -0.199 1 1 126 . 5 1 1 A 14 14 LEU N N 20 113.410 116.543 -3.133 1 1 127 . 5 1 1 A 15 15 THR H H 21 7.624 7.684 -0.060 1 1 128 . 5 1 1 A 15 15 THR HA H 21 4.394 4.192 0.202 1 1 133 . 5 1 1 A 15 15 THR C C 21 174.959 174.639 0.320 1 1 134 . 5 1 1 A 15 15 THR CA C 21 61.733 63.885 -2.152 1 1 135 . 5 1 1 A 15 15 THR CB C 21 71.514 69.968 1.546 1 1 137 . 5 1 1 A 15 15 THR N N 21 106.072 109.039 -2.967 1 1 138 . 5 1 1 A 16 16 ALA H H 22 8.932 8.252 0.680 1 1 139 . 5 1 1 A 16 16 ALA HA H 22 4.624 4.051 0.573 1 1 143 . 5 1 1 A 16 16 ALA C C 22 175.978 178.106 -2.128 1 1 144 . 5 1 1 A 16 16 ALA CA C 22 50.681 52.842 -2.161 1 1 145 . 5 1 1 A 16 16 ALA CB C 22 18.728 17.135 1.593 1 1 146 . 5 1 1 A 16 16 ALA N N 22 127.789 120.988 6.801 1 1 147 . 5 1 1 A 17 17 PRO HA H 23 4.430 4.451 -0.021 1 1 154 . 5 1 1 A 17 17 PRO CA C 23 61.497 64.432 -2.935 1 1 155 . 5 1 1 A 17 17 PRO CB C 23 31.775 32.072 -0.297 1 1 158 . 5 1 1 A 18 18 LEU H H 24 8.154 7.687 0.467 1 1 159 . 5 1 1 A 18 18 LEU HA H 24 3.894 4.441 -0.547 1 1 169 . 5 1 1 A 18 18 LEU C C 24 176.447 176.138 0.309 1 1 170 . 5 1 1 A 18 18 LEU CA C 24 55.510 53.580 1.930 1 1 171 . 5 1 1 A 18 18 LEU CB C 24 40.921 43.796 -2.875 1 1 175 . 5 1 1 A 18 18 LEU N N 24 121.010 116.418 4.592 1 1 176 . 5 1 1 A 19 19 ASP H H 25 8.758 8.606 0.152 1 1 177 . 5 1 1 A 19 19 ASP HA H 25 4.626 4.560 0.066 1 1 180 . 5 1 1 A 19 19 ASP C C 25 176.425 176.718 -0.293 1 1 181 . 5 1 1 A 19 19 ASP CA C 25 52.688 53.748 -1.060 1 1 182 . 5 1 1 A 19 19 ASP CB C 25 42.819 39.035 3.784 1 1 183 . 5 1 1 A 19 19 ASP N N 25 124.654 118.800 5.854 1 1 184 . 5 1 1 A 20 20 HIS HA H 26 4.272 4.429 -0.157 1 1 189 . 5 1 1 A 20 20 HIS CA C 26 58.100 55.717 2.383 1 1 190 . 5 1 1 A 20 20 HIS CB C 26 29.200 28.986 0.214 1 1 191 . 5 1 1 A 21 21 LYS H H 27 8.348 8.227 0.121 1 1 192 . 5 1 1 A 21 21 LYS HA H 27 3.970 4.479 -0.509 1 1 201 . 5 1 1 A 21 21 LYS C C 27 177.393 176.101 1.292 1 1 202 . 5 1 1 A 21 21 LYS CA C 27 56.320 56.630 -0.310 1 1 203 . 5 1 1 A 21 21 LYS CB C 27 30.950 34.761 -3.811 1 1 206 . 5 1 1 A 21 21 LYS N N 27 118.419 117.214 1.205 1 1 207 . 5 1 1 A 22 22 ASP H H 28 7.451 7.351 0.100 1 1 208 . 5 1 1 A 22 22 ASP HA H 28 4.307 4.511 -0.204 1 1 211 . 5 1 1 A 22 22 ASP C C 28 176.212 177.250 -1.038 1 1 212 . 5 1 1 A 22 22 ASP CA C 28 54.164 54.409 -0.245 1 1 213 . 5 1 1 A 22 22 ASP CB C 28 40.091 42.556 -2.465 1 1 214 . 5 1 1 A 22 22 ASP N N 28 120.045 121.524 -1.479 1 1 215 . 5 1 1 A 23 23 LYS H H 29 8.416 8.727 -0.311 1 1 216 . 5 1 1 A 23 23 LYS HA H 29 3.962 4.091 -0.129 1 1 225 . 5 1 1 A 23 23 LYS C C 29 177.409 177.449 -0.040 1 1 226 . 5 1 1 A 23 23 LYS CA C 29 56.254 58.075 -1.821 1 1 227 . 5 1 1 A 23 23 LYS CB C 29 31.950 32.033 -0.083 1 1 231 . 5 1 1 A 23 23 LYS N N 29 121.925 122.211 -0.286 1 1 232 . 5 1 1 A 24 24 GLY H H 30 8.612 7.545 1.067 1 1 233 . 5 1 1 A 24 24 GLY HA2 H 30 3.655 4.103 -0.448 1 1 234 . 5 1 1 A 24 24 GLY HA3 H 30 3.519 4.107 -0.588 1 1 235 . 5 1 1 A 24 24 GLY CA C 30 44.788 44.978 -0.190 1 1 236 . 5 1 1 A 24 24 GLY N N 30 111.487 108.974 2.513 1 1 237 . 5 1 1 A 25 25 LEU H H 31 8.054 8.607 -0.553 1 1 238 . 5 1 1 A 25 25 LEU HA H 31 3.770 4.270 -0.500 1 1 248 . 5 1 1 A 25 25 LEU CA C 31 55.906 55.657 0.249 1 1 249 . 5 1 1 A 25 25 LEU CB C 31 44.428 41.864 2.564 1 1 253 . 5 1 1 A 25 25 LEU N N 31 127.196 122.530 4.666 1 1 254 . 5 1 1 A 26 26 GLN H H 32 9.184 8.816 0.368 1 1 255 . 5 1 1 A 26 26 GLN HA H 32 3.437 4.713 -1.276 1 1 262 . 5 1 1 A 26 26 GLN C C 32 174.347 174.862 -0.515 1 1 263 . 5 1 1 A 26 26 GLN CA C 32 57.926 55.236 2.690 1 1 264 . 5 1 1 A 26 26 GLN CB C 32 27.721 29.954 -2.233 1 1 266 . 5 1 1 A 26 26 GLN N N 32 131.782 123.051 8.731 1 1 268 . 5 1 1 A 27 27 SER H H 33 7.240 7.668 -0.428 1 1 269 . 5 1 1 A 27 27 SER HA H 33 4.981 4.930 0.051 1 1 272 . 5 1 1 A 27 27 SER C C 33 171.111 172.431 -1.320 1 1 273 . 5 1 1 A 27 27 SER CA C 33 56.782 57.557 -0.775 1 1 274 . 5 1 1 A 27 27 SER CB C 33 64.611 65.536 -0.925 1 1 275 . 5 1 1 A 27 27 SER N N 33 108.936 112.742 -3.806 1 1 276 . 5 1 1 A 28 28 LEU H H 34 8.010 8.542 -0.532 1 1 277 . 5 1 1 A 28 28 LEU HA H 34 4.372 4.830 -0.458 1 1 287 . 5 1 1 A 28 28 LEU C C 34 174.697 174.855 -0.158 1 1 288 . 5 1 1 A 28 28 LEU CA C 34 53.332 54.387 -1.055 1 1 289 . 5 1 1 A 28 28 LEU CB C 34 45.636 45.567 0.069 1 1 293 . 5 1 1 A 28 28 LEU N N 34 121.826 121.971 -0.145 1 1 294 . 5 1 1 A 29 29 THR H H 35 8.810 9.001 -0.191 1 1 295 . 5 1 1 A 29 29 THR HA H 35 4.046 4.684 -0.638 1 1 300 . 5 1 1 A 29 29 THR C C 35 172.792 174.445 -1.653 1 1 301 . 5 1 1 A 29 29 THR CA C 35 62.565 62.286 0.279 1 1 302 . 5 1 1 A 29 29 THR CB C 35 68.233 69.772 -1.539 1 1 304 . 5 1 1 A 29 29 THR N N 35 123.892 122.821 1.071 1 1 305 . 5 1 1 A 30 30 LEU H H 36 8.662 8.220 0.442 1 1 306 . 5 1 1 A 30 30 LEU HA H 36 4.150 4.769 -0.619 1 1 316 . 5 1 1 A 30 30 LEU C C 36 174.707 176.936 -2.229 1 1 317 . 5 1 1 A 30 30 LEU CA C 36 53.789 54.398 -0.609 1 1 318 . 5 1 1 A 30 30 LEU CB C 36 40.562 42.120 -1.558 1 1 322 . 5 1 1 A 30 30 LEU N N 36 128.365 126.763 1.602 1 1 323 . 5 1 1 A 31 31 ASP H H 37 8.500 8.340 0.160 1 1 324 . 5 1 1 A 31 31 ASP HA H 37 4.837 4.295 0.542 1 1 327 . 5 1 1 A 31 31 ASP CA C 37 54.657 57.406 -2.749 1 1 328 . 5 1 1 A 31 31 ASP CB C 37 43.089 40.485 2.604 1 1 329 . 5 1 1 A 31 31 ASP N N 37 123.194 120.279 2.915 1 1 330 . 5 1 1 A 32 32 GLN H H 38 10.453 8.281 2.172 1 1 331 . 5 1 1 A 32 32 GLN HA H 38 3.808 4.167 -0.359 1 1 338 . 5 1 1 A 32 32 GLN C C 38 178.535 178.016 0.519 1 1 339 . 5 1 1 A 32 32 GLN CA C 38 56.284 57.532 -1.248 1 1 340 . 5 1 1 A 32 32 GLN CB C 38 28.175 28.102 0.073 1 1 342 . 5 1 1 A 32 32 GLN N N 38 120.692 117.819 2.873 1 1 344 . 5 1 1 A 33 33 SER H H 39 8.523 7.892 0.631 1 1 345 . 5 1 1 A 33 33 SER HA H 39 4.081 4.440 -0.359 1 1 348 . 5 1 1 A 33 33 SER C C 39 171.792 173.644 -1.852 1 1 349 . 5 1 1 A 33 33 SER CA C 39 61.436 60.870 0.566 1 1 350 . 5 1 1 A 33 33 SER CB C 39 63.008 64.145 -1.137 1 1 351 . 5 1 1 A 33 33 SER N N 39 111.712 114.567 -2.855 1 1 352 . 5 1 1 A 34 34 VAL H H 40 6.691 7.420 -0.729 1 1 353 . 5 1 1 A 34 34 VAL HA H 40 3.890 4.550 -0.660 1 1 361 . 5 1 1 A 34 34 VAL C C 40 172.251 174.300 -2.049 1 1 362 . 5 1 1 A 34 34 VAL CA C 40 60.415 59.658 0.757 1 1 363 . 5 1 1 A 34 34 VAL CB C 40 32.306 35.586 -3.280 1 1 366 . 5 1 1 A 34 34 VAL N N 40 115.971 118.624 -2.653 1 1 367 . 5 1 1 A 35 35 ARG H H 41 8.184 8.765 -0.581 1 1 368 . 5 1 1 A 35 35 ARG HA H 41 4.176 4.422 -0.246 1 1 375 . 5 1 1 A 35 35 ARG C C 41 176.886 177.972 -1.086 1 1 376 . 5 1 1 A 35 35 ARG CA C 41 55.599 55.492 0.107 1 1 377 . 5 1 1 A 35 35 ARG CB C 41 30.569 31.197 -0.628 1 1 380 . 5 1 1 A 35 35 ARG N N 41 125.397 126.273 -0.876 1 1 381 . 5 1 1 A 36 36 LYS H H 42 8.493 8.583 -0.090 1 1 382 . 5 1 1 A 36 36 LYS HA H 42 3.778 4.176 -0.398 1 1 391 . 5 1 1 A 36 36 LYS C C 42 176.596 177.092 -0.496 1 1 392 . 5 1 1 A 36 36 LYS CA C 42 58.687 58.205 0.482 1 1 393 . 5 1 1 A 36 36 LYS CB C 42 31.959 32.142 -0.183 1 1 397 . 5 1 1 A 36 36 LYS N N 42 119.360 122.183 -2.823 1 1 398 . 5 1 1 A 37 37 ASN H H 43 8.513 8.238 0.275 1 1 399 . 5 1 1 A 37 37 ASN HA H 43 4.438 4.967 -0.529 1 1 404 . 5 1 1 A 37 37 ASN C C 43 173.867 174.906 -1.039 1 1 405 . 5 1 1 A 37 37 ASN CA C 43 55.127 52.551 2.576 1 1 406 . 5 1 1 A 37 37 ASN CB C 43 37.071 40.657 -3.586 1 1 407 . 5 1 1 A 37 37 ASN N N 43 115.488 114.332 1.156 1 1 409 . 5 1 1 A 38 38 GLU H H 44 7.793 7.601 0.192 1 1 410 . 5 1 1 A 38 38 GLU HA H 44 4.772 4.583 0.189 1 1 413 . 5 1 1 A 38 38 GLU C C 44 175.262 175.847 -0.585 1 1 414 . 5 1 1 A 38 38 GLU CA C 44 54.808 56.035 -1.227 1 1 415 . 5 1 1 A 38 38 GLU CB C 44 32.321 30.931 1.390 1 1 416 . 5 1 1 A 38 38 GLU N N 44 118.734 121.082 -2.348 1 1 417 . 5 1 1 A 39 39 LYS H H 45 8.706 8.518 0.188 1 1 418 . 5 1 1 A 39 39 LYS HA H 45 4.606 5.190 -0.584 1 1 427 . 5 1 1 A 39 39 LYS C C 45 174.312 175.111 -0.799 1 1 428 . 5 1 1 A 39 39 LYS CA C 45 52.782 54.104 -1.322 1 1 429 . 5 1 1 A 39 39 LYS CB C 45 35.174 36.156 -0.982 1 1 433 . 5 1 1 A 39 39 LYS N N 45 117.132 123.169 -6.037 1 1 434 . 5 1 1 A 40 40 LEU H H 46 9.085 8.773 0.312 1 1 435 . 5 1 1 A 40 40 LEU HA H 46 5.044 4.976 0.068 1 1 442 . 5 1 1 A 40 40 LEU C C 46 173.778 174.241 -0.463 1 1 443 . 5 1 1 A 40 40 LEU CA C 46 52.590 53.709 -1.119 1 1 444 . 5 1 1 A 40 40 LEU CB C 46 44.855 45.481 -0.626 1 1 447 . 5 1 1 A 40 40 LEU N N 46 125.335 117.778 7.557 1 1 448 . 5 1 1 A 41 41 LYS H H 47 9.263 9.284 -0.021 1 1 449 . 5 1 1 A 41 41 LYS HA H 47 5.049 5.073 -0.024 1 1 458 . 5 1 1 A 41 41 LYS C C 47 175.616 174.036 1.580 1 1 459 . 5 1 1 A 41 41 LYS CA C 47 53.864 54.752 -0.888 1 1 460 . 5 1 1 A 41 41 LYS CB C 47 32.986 35.152 -2.166 1 1 464 . 5 1 1 A 41 41 LYS N N 47 129.833 120.390 9.443 1 1 465 . 5 1 1 A 42 42 LEU H H 48 8.954 9.288 -0.334 1 1 466 . 5 1 1 A 42 42 LEU HA H 48 5.458 5.491 -0.033 1 1 476 . 5 1 1 A 42 42 LEU C C 48 175.565 175.085 0.480 1 1 477 . 5 1 1 A 42 42 LEU CA C 48 51.964 53.565 -1.601 1 1 478 . 5 1 1 A 42 42 LEU CB C 48 44.393 45.438 -1.045 1 1 482 . 5 1 1 A 42 42 LEU N N 48 126.292 129.392 -3.100 1 1 483 . 5 1 1 A 43 43 ALA H H 49 8.804 9.073 -0.269 1 1 484 . 5 1 1 A 43 43 ALA HA H 49 5.304 5.250 0.054 1 1 488 . 5 1 1 A 43 43 ALA C C 49 176.301 175.758 0.543 1 1 489 . 5 1 1 A 43 43 ALA CA C 49 51.004 51.370 -0.366 1 1 490 . 5 1 1 A 43 43 ALA CB C 49 23.453 23.969 -0.516 1 1 491 . 5 1 1 A 43 43 ALA N N 49 120.789 127.528 -6.739 1 1 492 . 5 1 1 A 44 44 ALA H H 50 8.117 8.701 -0.584 1 1 493 . 5 1 1 A 44 44 ALA HA H 50 4.485 4.594 -0.109 1 1 497 . 5 1 1 A 44 44 ALA C C 50 176.254 176.781 -0.527 1 1 498 . 5 1 1 A 44 44 ALA CA C 50 53.021 51.708 1.313 1 1 499 . 5 1 1 A 44 44 ALA CB C 50 23.682 21.980 1.702 1 1 500 . 5 1 1 A 44 44 ALA N N 50 120.678 119.689 0.989 1 1 501 . 5 1 1 A 45 45 GLN H H 51 9.035 9.377 -0.342 1 1 502 . 5 1 1 A 45 45 GLN HA H 51 3.774 3.923 -0.149 1 1 509 . 5 1 1 A 45 45 GLN C C 51 175.259 174.899 0.360 1 1 510 . 5 1 1 A 45 45 GLN CA C 51 56.074 56.727 -0.653 1 1 511 . 5 1 1 A 45 45 GLN CB C 51 27.339 27.769 -0.430 1 1 513 . 5 1 1 A 45 45 GLN N N 51 116.299 123.107 -6.808 1 1 515 . 5 1 1 A 46 46 GLY H H 52 8.441 8.412 0.029 1 1 516 . 5 1 1 A 46 46 GLY HA2 H 52 4.066 3.805 0.261 1 1 517 . 5 1 1 A 46 46 GLY HA3 H 52 3.510 3.808 -0.298 1 1 518 . 5 1 1 A 46 46 GLY C C 52 173.050 173.515 -0.465 1 1 519 . 5 1 1 A 46 46 GLY CA C 52 44.998 45.290 -0.292 1 1 520 . 5 1 1 A 46 46 GLY N N 52 105.419 105.899 -0.480 1 1 521 . 5 1 1 A 47 47 ALA H H 53 8.152 7.561 0.591 1 1 522 . 5 1 1 A 47 47 ALA HA H 53 4.767 4.844 -0.077 1 1 526 . 5 1 1 A 47 47 ALA C C 53 175.989 176.128 -0.139 1 1 527 . 5 1 1 A 47 47 ALA CA C 53 49.918 50.697 -0.779 1 1 528 . 5 1 1 A 47 47 ALA CB C 53 22.720 22.411 0.309 1 1 529 . 5 1 1 A 47 47 ALA N N 53 124.355 122.701 1.654 1 1 530 . 5 1 1 A 48 48 GLU H H 54 8.156 9.211 -1.055 1 1 531 . 5 1 1 A 48 48 GLU HA H 54 5.488 5.353 0.135 1 1 536 . 5 1 1 A 48 48 GLU C C 54 174.224 173.663 0.561 1 1 537 . 5 1 1 A 48 48 GLU CA C 54 54.346 55.067 -0.721 1 1 538 . 5 1 1 A 48 48 GLU CB C 54 34.305 33.528 0.777 1 1 540 . 5 1 1 A 48 48 GLU N N 54 116.655 116.409 0.246 1 1 541 . 5 1 1 A 49 49 LYS H H 55 8.852 9.509 -0.657 1 1 542 . 5 1 1 A 49 49 LYS HA H 55 4.190 5.144 -0.954 1 1 549 . 5 1 1 A 49 49 LYS C C 55 172.887 175.107 -2.220 1 1 550 . 5 1 1 A 49 49 LYS CA C 55 56.414 54.554 1.860 1 1 551 . 5 1 1 A 49 49 LYS CB C 55 34.723 35.578 -0.855 1 1 554 . 5 1 1 A 49 49 LYS N N 55 122.922 123.693 -0.771 1 1 555 . 5 1 1 A 50 50 THR H H 56 7.910 8.756 -0.846 1 1 556 . 5 1 1 A 50 50 THR HA H 56 4.908 4.908 0.000 1 1 561 . 5 1 1 A 50 50 THR C C 56 173.112 173.557 -0.445 1 1 562 . 5 1 1 A 50 50 THR CA C 56 61.998 62.538 -0.540 1 1 563 . 5 1 1 A 50 50 THR CB C 56 68.596 69.076 -0.480 1 1 565 . 5 1 1 A 50 50 THR N N 56 120.811 123.238 -2.427 1 1 566 . 5 1 1 A 51 51 TYR H H 57 9.432 8.953 0.479 1 1 567 . 5 1 1 A 51 51 TYR HA H 57 4.493 5.233 -0.740 1 1 574 . 5 1 1 A 51 51 TYR C C 57 174.156 173.852 0.304 1 1 575 . 5 1 1 A 51 51 TYR CA C 57 57.375 56.001 1.374 1 1 576 . 5 1 1 A 51 51 TYR CB C 57 41.895 42.040 -0.145 1 1 577 . 5 1 1 A 51 51 TYR N N 57 127.372 124.110 3.262 1 1 578 . 5 1 1 A 52 52 GLY H H 58 9.154 8.483 0.671 1 1 579 . 5 1 1 A 52 52 GLY HA2 H 58 3.543 4.046 -0.503 1 1 580 . 5 1 1 A 52 52 GLY HA3 H 58 3.543 4.112 -0.569 1 1 581 . 5 1 1 A 52 52 GLY C C 58 172.527 172.918 -0.391 1 1 582 . 5 1 1 A 52 52 GLY CA C 58 42.304 45.751 -3.447 1 1 583 . 5 1 1 A 52 52 GLY N N 58 108.920 106.744 2.176 1 1 584 . 5 1 1 A 53 53 ASN H H 59 8.877 8.772 0.105 1 1 585 . 5 1 1 A 53 53 ASN HA H 59 4.034 4.679 -0.645 1 1 588 . 5 1 1 A 53 53 ASN C C 59 176.319 174.346 1.973 1 1 589 . 5 1 1 A 53 53 ASN CA C 59 57.108 55.462 1.646 1 1 590 . 5 1 1 A 53 53 ASN CB C 59 39.672 36.365 3.307 1 1 591 . 5 1 1 A 53 53 ASN N N 59 117.281 117.462 -0.181 1 1 592 . 5 1 1 A 54 54 GLY H H 60 8.949 7.936 1.013 1 1 593 . 5 1 1 A 54 54 GLY HA2 H 60 4.222 4.092 0.130 1 1 594 . 5 1 1 A 54 54 GLY HA3 H 60 3.348 4.107 -0.759 1 1 595 . 5 1 1 A 54 54 GLY C C 60 174.096 171.952 2.144 1 1 596 . 5 1 1 A 54 54 GLY CA C 60 44.931 45.787 -0.856 1 1 597 . 5 1 1 A 54 54 GLY N N 60 114.860 103.594 11.266 1 1 598 . 5 1 1 A 55 55 ASP H H 61 7.991 9.098 -1.107 1 1 599 . 5 1 1 A 55 55 ASP HA H 61 4.493 5.186 -0.693 1 1 602 . 5 1 1 A 55 55 ASP C C 61 174.727 174.257 0.470 1 1 603 . 5 1 1 A 55 55 ASP CA C 61 54.408 53.161 1.247 1 1 604 . 5 1 1 A 55 55 ASP CB C 61 41.780 44.975 -3.195 1 1 605 . 5 1 1 A 55 55 ASP N N 61 121.974 125.384 -3.410 1 1 606 . 5 1 1 A 56 56 SER H H 62 8.485 8.772 -0.287 1 1 607 . 5 1 1 A 56 56 SER HA H 62 4.959 5.520 -0.561 1 1 610 . 5 1 1 A 56 56 SER C C 62 173.099 172.280 0.819 1 1 611 . 5 1 1 A 56 56 SER CA C 62 57.154 56.579 0.575 1 1 612 . 5 1 1 A 56 56 SER CB C 62 64.522 65.517 -0.995 1 1 613 . 5 1 1 A 56 56 SER N N 62 113.088 115.678 -2.590 1 1 614 . 5 1 1 A 57 57 LEU H H 63 9.004 8.872 0.132 1 1 615 . 5 1 1 A 57 57 LEU HA H 63 4.500 4.583 -0.083 1 1 625 . 5 1 1 A 57 57 LEU C C 63 175.943 174.966 0.977 1 1 626 . 5 1 1 A 57 57 LEU CA C 63 53.070 54.260 -1.190 1 1 627 . 5 1 1 A 57 57 LEU CB C 63 43.800 43.131 0.669 1 1 630 . 5 1 1 A 57 57 LEU N N 63 126.423 127.723 -1.300 1 1 631 . 5 1 1 A 58 58 ASN H H 64 8.484 8.798 -0.314 1 1 632 . 5 1 1 A 58 58 ASN HA H 64 4.752 5.171 -0.419 1 1 635 . 5 1 1 A 58 58 ASN C C 64 173.916 175.462 -1.546 1 1 636 . 5 1 1 A 58 58 ASN CA C 64 50.587 52.933 -2.346 1 1 637 . 5 1 1 A 58 58 ASN CB C 64 35.153 39.904 -4.751 1 1 638 . 5 1 1 A 58 58 ASN N N 64 125.624 126.164 -0.540 1 1 639 . 5 1 1 A 59 59 THR H H 65 7.747 9.184 -1.437 1 1 640 . 5 1 1 A 59 59 THR HA H 65 4.770 4.715 0.055 1 1 645 . 5 1 1 A 59 59 THR C C 65 177.245 174.864 2.381 1 1 646 . 5 1 1 A 59 59 THR CA C 65 63.213 60.044 3.169 1 1 647 . 5 1 1 A 59 59 THR CB C 65 63.510 68.596 -5.086 1 1 649 . 5 1 1 A 59 59 THR N N 65 113.770 113.109 0.661 1 1 650 . 5 1 1 A 60 60 GLY H H 66 8.869 8.318 0.551 1 1 651 . 5 1 1 A 60 60 GLY HA2 H 66 3.839 3.807 0.032 1 1 652 . 5 1 1 A 60 60 GLY HA3 H 66 3.724 3.818 -0.094 1 1 653 . 5 1 1 A 60 60 GLY C C 66 173.279 175.186 -1.907 1 1 654 . 5 1 1 A 60 60 GLY CA C 66 44.892 46.446 -1.554 1 1 655 . 5 1 1 A 60 60 GLY N N 66 114.430 111.365 3.065 1 1 656 . 5 1 1 A 61 61 LYS H H 67 6.376 8.851 -2.475 1 1 657 . 5 1 1 A 61 61 LYS HA H 67 4.021 3.985 0.036 1 1 666 . 5 1 1 A 61 61 LYS C C 67 176.315 176.857 -0.542 1 1 667 . 5 1 1 A 61 61 LYS CA C 67 54.298 57.090 -2.792 1 1 668 . 5 1 1 A 61 61 LYS CB C 67 32.200 30.867 1.333 1 1 672 . 5 1 1 A 61 61 LYS N N 67 112.620 125.149 -12.529 1 1 673 . 5 1 1 A 62 62 LEU H H 68 7.335 7.223 0.112 1 1 674 . 5 1 1 A 62 62 LEU HA H 68 4.275 4.270 0.005 1 1 684 . 5 1 1 A 62 62 LEU C C 68 176.306 175.934 0.372 1 1 685 . 5 1 1 A 62 62 LEU CA C 68 52.479 57.351 -4.872 1 1 686 . 5 1 1 A 62 62 LEU CB C 68 40.600 42.720 -2.120 1 1 689 . 5 1 1 A 62 62 LEU N N 68 116.704 122.011 -5.307 1 1 690 . 5 1 1 A 63 63 LYS H H 69 8.506 7.796 0.710 1 1 691 . 5 1 1 A 63 63 LYS HA H 69 3.992 4.761 -0.769 1 1 700 . 5 1 1 A 63 63 LYS C C 69 175.886 176.416 -0.530 1 1 701 . 5 1 1 A 63 63 LYS CA C 69 54.986 54.368 0.618 1 1 702 . 5 1 1 A 63 63 LYS CB C 69 32.447 36.427 -3.980 1 1 706 . 5 1 1 A 63 63 LYS N N 69 119.841 117.133 2.708 1 1 707 . 5 1 1 A 64 64 ASN H H 70 8.080 8.621 -0.541 1 1 708 . 5 1 1 A 64 64 ASN HA H 70 3.839 4.341 -0.502 1 1 713 . 5 1 1 A 64 64 ASN C C 70 174.449 175.932 -1.483 1 1 714 . 5 1 1 A 64 64 ASN CA C 70 54.417 56.094 -1.677 1 1 715 . 5 1 1 A 64 64 ASN CB C 70 38.129 38.544 -0.415 1 1 716 . 5 1 1 A 64 64 ASN N N 70 121.515 120.469 1.046 1 1 718 . 5 1 1 A 65 65 ASP H H 71 9.218 8.076 1.142 1 1 719 . 5 1 1 A 65 65 ASP HA H 71 3.690 5.231 -1.541 1 1 722 . 5 1 1 A 65 65 ASP C C 71 173.016 175.964 -2.948 1 1 723 . 5 1 1 A 65 65 ASP CA C 71 54.726 53.120 1.606 1 1 724 . 5 1 1 A 65 65 ASP CB C 71 38.534 41.076 -2.542 1 1 725 . 5 1 1 A 65 65 ASP N N 71 113.370 120.238 -6.868 1 1 726 . 5 1 1 A 66 66 LYS H H 72 6.443 7.737 -1.294 1 1 727 . 5 1 1 A 66 66 LYS HA H 72 4.411 4.899 -0.488 1 1 734 . 5 1 1 A 66 66 LYS C C 72 174.745 175.046 -0.301 1 1 735 . 5 1 1 A 66 66 LYS CA C 72 53.094 54.336 -1.242 1 1 736 . 5 1 1 A 66 66 LYS CB C 72 36.099 35.767 0.332 1 1 739 . 5 1 1 A 66 66 LYS N N 72 113.415 117.666 -4.251 1 1 740 . 5 1 1 A 67 67 VAL H H 73 8.679 8.191 0.488 1 1 741 . 5 1 1 A 67 67 VAL HA H 73 4.189 4.169 0.020 1 1 749 . 5 1 1 A 67 67 VAL C C 73 176.630 175.654 0.976 1 1 750 . 5 1 1 A 67 67 VAL CA C 73 62.135 61.252 0.883 1 1 751 . 5 1 1 A 67 67 VAL CB C 73 32.001 31.984 0.017 1 1 753 . 5 1 1 A 67 67 VAL N N 73 122.098 118.832 3.266 1 1 754 . 5 1 1 A 68 68 SER H H 74 9.497 8.885 0.612 1 1 755 . 5 1 1 A 68 68 SER HA H 74 4.507 4.580 -0.073 1 1 758 . 5 1 1 A 68 68 SER C C 74 172.249 174.261 -2.012 1 1 759 . 5 1 1 A 68 68 SER CA C 74 58.323 58.493 -0.170 1 1 760 . 5 1 1 A 68 68 SER CB C 74 64.028 63.785 0.243 1 1 761 . 5 1 1 A 68 68 SER N N 74 127.048 123.835 3.213 1 1 762 . 5 1 1 A 69 69 ARG H H 75 7.848 8.390 -0.542 1 1 763 . 5 1 1 A 69 69 ARG HA H 75 5.031 4.835 0.196 1 1 770 . 5 1 1 A 69 69 ARG C C 75 173.300 175.560 -2.260 1 1 771 . 5 1 1 A 69 69 ARG CA C 75 55.337 55.275 0.062 1 1 772 . 5 1 1 A 69 69 ARG CB C 75 31.871 31.353 0.518 1 1 775 . 5 1 1 A 69 69 ARG N N 75 122.621 122.714 -0.093 1 1 776 . 5 1 1 A 70 70 PHE H H 76 9.246 8.872 0.374 1 1 777 . 5 1 1 A 70 70 PHE HA H 76 4.808 5.041 -0.233 1 1 784 . 5 1 1 A 70 70 PHE C C 76 175.788 174.551 1.237 1 1 785 . 5 1 1 A 70 70 PHE CA C 76 55.245 56.656 -1.411 1 1 786 . 5 1 1 A 70 70 PHE CB C 76 43.645 43.441 0.204 1 1 787 . 5 1 1 A 70 70 PHE N N 76 118.087 121.033 -2.946 1 1 788 . 5 1 1 A 71 71 ASP H H 77 9.144 8.944 0.200 1 1 789 . 5 1 1 A 71 71 ASP HA H 77 5.360 5.589 -0.229 1 1 792 . 5 1 1 A 71 71 ASP C C 77 176.477 175.661 0.816 1 1 793 . 5 1 1 A 71 71 ASP CA C 77 55.131 52.765 2.366 1 1 794 . 5 1 1 A 71 71 ASP CB C 77 41.301 43.519 -2.218 1 1 795 . 5 1 1 A 71 71 ASP N N 77 123.565 121.257 2.308 1 1 796 . 5 1 1 A 72 72 PHE H H 78 9.094 8.499 0.595 1 1 797 . 5 1 1 A 72 72 PHE HA H 78 6.431 5.488 0.943 1 1 805 . 5 1 1 A 72 72 PHE C C 78 174.014 172.782 1.232 1 1 806 . 5 1 1 A 72 72 PHE CA C 78 54.934 56.045 -1.111 1 1 807 . 5 1 1 A 72 72 PHE CB C 78 42.491 42.410 0.081 1 1 808 . 5 1 1 A 72 72 PHE N N 78 119.663 117.510 2.153 1 1 809 . 5 1 1 A 73 73 ILE H H 79 8.623 9.109 -0.486 1 1 810 . 5 1 1 A 73 73 ILE HA H 79 4.334 4.815 -0.481 1 1 820 . 5 1 1 A 73 73 ILE C C 79 173.961 174.527 -0.566 1 1 821 . 5 1 1 A 73 73 ILE CA C 79 61.222 59.012 2.210 1 1 822 . 5 1 1 A 73 73 ILE CB C 79 41.918 41.248 0.670 1 1 826 . 5 1 1 A 73 73 ILE N N 79 119.750 116.973 2.777 1 1 827 . 5 1 1 A 74 74 ARG H H 80 9.052 8.999 0.053 1 1 828 . 5 1 1 A 74 74 ARG HA H 80 5.311 4.692 0.619 1 1 835 . 5 1 1 A 74 74 ARG C C 80 174.870 175.138 -0.268 1 1 836 . 5 1 1 A 74 74 ARG CA C 80 54.449 55.610 -1.161 1 1 837 . 5 1 1 A 74 74 ARG CB C 80 33.740 31.539 2.201 1 1 840 . 5 1 1 A 74 74 ARG N N 80 128.407 124.814 3.593 1 1 841 . 5 1 1 A 75 75 GLN H H 81 9.304 8.333 0.971 1 1 842 . 5 1 1 A 75 75 GLN HA H 81 5.562 5.045 0.517 1 1 849 . 5 1 1 A 75 75 GLN C C 81 173.678 173.957 -0.279 1 1 850 . 5 1 1 A 75 75 GLN CA C 81 53.745 55.791 -2.046 1 1 851 . 5 1 1 A 75 75 GLN CB C 81 34.013 31.549 2.464 1 1 853 . 5 1 1 A 75 75 GLN N N 81 125.481 122.944 2.537 1 1 855 . 5 1 1 A 76 76 ILE H H 82 8.592 8.693 -0.101 1 1 856 . 5 1 1 A 76 76 ILE HA H 82 4.576 4.810 -0.234 1 1 866 . 5 1 1 A 76 76 ILE C C 82 172.511 173.964 -1.453 1 1 867 . 5 1 1 A 76 76 ILE CA C 82 59.622 59.108 0.514 1 1 868 . 5 1 1 A 76 76 ILE CB C 82 42.248 41.710 0.538 1 1 872 . 5 1 1 A 76 76 ILE N N 82 115.536 126.140 -10.604 1 1 873 . 5 1 1 A 77 77 GLU H H 83 8.433 8.493 -0.060 1 1 874 . 5 1 1 A 77 77 GLU HA H 83 4.936 4.950 -0.014 1 1 879 . 5 1 1 A 77 77 GLU C C 83 175.614 175.759 -0.145 1 1 880 . 5 1 1 A 77 77 GLU CA C 83 54.812 56.087 -1.275 1 1 881 . 5 1 1 A 77 77 GLU CB C 83 30.465 30.515 -0.050 1 1 883 . 5 1 1 A 77 77 GLU N N 83 124.858 126.546 -1.688 1 1 884 . 5 1 1 A 78 78 VAL H H 84 8.879 9.018 -0.139 1 1 885 . 5 1 1 A 78 78 VAL HA H 84 4.076 4.296 -0.220 1 1 893 . 5 1 1 A 78 78 VAL C C 84 175.694 176.110 -0.416 1 1 894 . 5 1 1 A 78 78 VAL CA C 84 61.382 61.374 0.008 1 1 895 . 5 1 1 A 78 78 VAL CB C 84 34.014 30.861 3.153 1 1 897 . 5 1 1 A 78 78 VAL N N 84 126.973 125.245 1.728 1 1 898 . 5 1 1 A 79 79 ASP H H 85 9.329 9.288 0.041 1 1 899 . 5 1 1 A 79 79 ASP HA H 85 4.156 4.257 -0.101 1 1 902 . 5 1 1 A 79 79 ASP C C 85 175.774 175.494 0.280 1 1 903 . 5 1 1 A 79 79 ASP CA C 85 55.125 55.315 -0.190 1 1 904 . 5 1 1 A 79 79 ASP CB C 85 38.926 39.793 -0.867 1 1 905 . 5 1 1 A 79 79 ASP N N 85 129.387 128.179 1.208 1 1 906 . 5 1 1 A 80 80 GLY H H 86 8.575 8.364 0.211 1 1 907 . 5 1 1 A 80 80 GLY HA2 H 86 3.992 3.826 0.166 1 1 908 . 5 1 1 A 80 80 GLY HA3 H 86 3.507 3.826 -0.319 1 1 909 . 5 1 1 A 80 80 GLY C C 86 173.366 173.717 -0.351 1 1 910 . 5 1 1 A 80 80 GLY CA C 86 44.759 45.261 -0.502 1 1 911 . 5 1 1 A 80 80 GLY N N 86 103.293 103.909 -0.616 1 1 912 . 5 1 1 A 81 81 GLN H H 87 7.751 7.910 -0.159 1 1 913 . 5 1 1 A 81 81 GLN HA H 87 4.482 4.428 0.054 1 1 918 . 5 1 1 A 81 81 GLN C C 87 173.874 175.424 -1.550 1 1 919 . 5 1 1 A 81 81 GLN CA C 87 53.328 55.187 -1.859 1 1 920 . 5 1 1 A 81 81 GLN CB C 87 30.670 29.729 0.941 1 1 922 . 5 1 1 A 81 81 GLN N N 87 119.688 119.733 -0.045 1 1 923 . 5 1 1 A 82 82 LEU H H 88 8.418 8.661 -0.243 1 1 924 . 5 1 1 A 82 82 LEU HA H 88 4.630 4.571 0.059 1 1 934 . 5 1 1 A 82 82 LEU C C 88 176.289 176.085 0.204 1 1 935 . 5 1 1 A 82 82 LEU CA C 88 53.834 54.490 -0.656 1 1 936 . 5 1 1 A 82 82 LEU CB C 88 41.737 42.635 -0.898 1 1 940 . 5 1 1 A 82 82 LEU N N 88 123.523 124.943 -1.420 1 1 941 . 5 1 1 A 83 83 ILE H H 89 9.146 8.683 0.463 1 1 942 . 5 1 1 A 83 83 ILE HA H 89 4.249 4.878 -0.629 1 1 952 . 5 1 1 A 83 83 ILE C C 89 175.698 175.261 0.437 1 1 953 . 5 1 1 A 83 83 ILE CA C 89 59.363 59.852 -0.489 1 1 954 . 5 1 1 A 83 83 ILE CB C 89 39.633 40.843 -1.210 1 1 958 . 5 1 1 A 83 83 ILE N N 89 127.151 125.157 1.994 1 1 959 . 5 1 1 A 84 84 THR H H 90 8.656 8.947 -0.291 1 1 960 . 5 1 1 A 84 84 THR HA H 90 4.203 4.796 -0.593 1 1 965 . 5 1 1 A 84 84 THR C C 90 172.890 174.089 -1.199 1 1 966 . 5 1 1 A 84 84 THR CA C 90 62.641 60.265 2.376 1 1 967 . 5 1 1 A 84 84 THR CB C 90 68.634 69.016 -0.382 1 1 969 . 5 1 1 A 84 84 THR N N 90 123.099 123.426 -0.327 1 1 970 . 5 1 1 A 85 85 LEU H H 91 8.967 7.884 1.083 1 1 971 . 5 1 1 A 85 85 LEU HA H 91 4.256 4.563 -0.307 1 1 980 . 5 1 1 A 85 85 LEU C C 91 177.371 175.167 2.204 1 1 981 . 5 1 1 A 85 85 LEU CA C 91 55.527 54.426 1.101 1 1 982 . 5 1 1 A 85 85 LEU CB C 91 44.315 43.246 1.069 1 1 984 . 5 1 1 A 85 85 LEU N N 91 125.333 122.869 2.464 1 1 985 . 5 1 1 A 86 86 GLU H H 92 7.503 7.915 -0.412 1 1 986 . 5 1 1 A 86 86 GLU HA H 92 5.026 4.921 0.105 1 1 991 . 5 1 1 A 86 86 GLU C C 92 172.723 175.653 -2.930 1 1 992 . 5 1 1 A 86 86 GLU CA C 92 54.670 54.847 -0.177 1 1 993 . 5 1 1 A 86 86 GLU CB C 92 33.717 31.696 2.021 1 1 995 . 5 1 1 A 86 86 GLU N N 92 116.655 119.984 -3.329 1 1 996 . 5 1 1 A 87 87 SER H H 93 8.954 8.690 0.264 1 1 997 . 5 1 1 A 87 87 SER HA H 93 4.245 5.219 -0.974 1 1 1000 . 5 1 1 A 87 87 SER C C 93 172.763 173.645 -0.882 1 1 1001 . 5 1 1 A 87 87 SER CA C 93 57.328 57.037 0.291 1 1 1002 . 5 1 1 A 87 87 SER CB C 93 65.493 66.305 -0.812 1 1 1003 . 5 1 1 A 87 87 SER N N 93 117.941 119.396 -1.455 1 1 1004 . 5 1 1 A 88 88 GLY H H 94 6.932 7.549 -0.617 1 1 1005 . 5 1 1 A 88 88 GLY HA2 H 94 3.694 4.116 -0.422 1 1 1006 . 5 1 1 A 88 88 GLY HA3 H 94 3.694 4.227 -0.533 1 1 1007 . 5 1 1 A 88 88 GLY C C 94 171.117 171.410 -0.293 1 1 1008 . 5 1 1 A 88 88 GLY CA C 94 46.575 45.900 0.675 1 1 1009 . 5 1 1 A 88 88 GLY N N 94 108.625 109.085 -0.460 1 1 1010 . 5 1 1 A 89 89 GLU H H 95 9.669 8.866 0.803 1 1 1011 . 5 1 1 A 89 89 GLU HA H 95 5.642 5.377 0.265 1 1 1016 . 5 1 1 A 89 89 GLU C C 95 173.226 175.638 -2.412 1 1 1017 . 5 1 1 A 89 89 GLU CA C 95 54.786 54.809 -0.023 1 1 1018 . 5 1 1 A 89 89 GLU CB C 95 34.334 34.045 0.289 1 1 1020 . 5 1 1 A 89 89 GLU N N 95 128.231 120.168 8.063 1 1 1021 . 5 1 1 A 90 90 PHE H H 96 10.365 9.000 1.365 1 1 1022 . 5 1 1 A 90 90 PHE HA H 96 5.048 4.860 0.188 1 1 1029 . 5 1 1 A 90 90 PHE C C 96 173.039 172.980 0.059 1 1 1030 . 5 1 1 A 90 90 PHE CA C 96 54.616 57.910 -3.294 1 1 1031 . 5 1 1 A 90 90 PHE CB C 96 42.090 41.776 0.314 1 1 1032 . 5 1 1 A 90 90 PHE N N 96 131.583 123.115 8.468 1 1 1033 . 5 1 1 A 91 91 GLN H H 97 8.685 8.583 0.102 1 1 1034 . 5 1 1 A 91 91 GLN HA H 97 4.959 4.762 0.197 1 1 1041 . 5 1 1 A 91 91 GLN C C 97 174.151 174.634 -0.483 1 1 1042 . 5 1 1 A 91 91 GLN CA C 97 53.174 54.774 -1.600 1 1 1043 . 5 1 1 A 91 91 GLN CB C 97 28.812 29.915 -1.103 1 1 1045 . 5 1 1 A 91 91 GLN N N 97 126.465 128.395 -1.930 1 1 1047 . 5 1 1 A 92 92 VAL H H 98 8.675 8.877 -0.202 1 1 1048 . 5 1 1 A 92 92 VAL HA H 98 4.569 4.257 0.312 1 1 1056 . 5 1 1 A 92 92 VAL C C 98 173.802 174.505 -0.703 1 1 1057 . 5 1 1 A 92 92 VAL CA C 98 59.715 61.324 -1.609 1 1 1058 . 5 1 1 A 92 92 VAL CB C 98 35.074 31.989 3.085 1 1 1061 . 5 1 1 A 92 92 VAL N N 98 118.841 127.240 -8.399 1 1 1062 . 5 1 1 A 93 93 TYR H H 99 8.896 9.166 -0.270 1 1 1063 . 5 1 1 A 93 93 TYR HA H 99 4.940 4.735 0.205 1 1 1070 . 5 1 1 A 93 93 TYR C C 99 173.330 174.932 -1.602 1 1 1071 . 5 1 1 A 93 93 TYR CA C 99 56.948 57.047 -0.099 1 1 1072 . 5 1 1 A 93 93 TYR CB C 99 40.780 38.885 1.895 1 1 1073 . 5 1 1 A 93 93 TYR N N 99 127.563 129.773 -2.210 1 1 1074 . 5 1 1 A 94 94 LYS H H 100 5.813 9.474 -3.661 1 1 1075 . 5 1 1 A 94 94 LYS HA H 100 4.248 4.783 -0.535 1 1 1082 . 5 1 1 A 94 94 LYS CA C 100 55.660 56.268 -0.608 1 1 1083 . 5 1 1 A 94 94 LYS CB C 100 35.870 33.663 2.207 1 1 1084 . 5 1 1 A 94 94 LYS N N 100 128.378 127.980 0.398 1 1 1085 . 5 1 1 A 95 95 GLN H H 101 8.438 8.372 0.066 1 1 1086 . 5 1 1 A 95 95 GLN HA H 101 5.028 4.651 0.377 1 1 1091 . 5 1 1 A 95 95 GLN C C 101 174.080 174.418 -0.338 1 1 1092 . 5 1 1 A 95 95 GLN CA C 101 54.043 54.873 -0.830 1 1 1093 . 5 1 1 A 95 95 GLN CB C 101 27.209 32.919 -5.710 1 1 1095 . 5 1 1 A 95 95 GLN N N 101 125.809 123.426 2.383 1 1 1096 . 5 1 1 A 96 96 SER H H 102 9.057 8.448 0.609 1 1 1097 . 5 1 1 A 96 96 SER HA H 102 3.041 3.929 -0.888 1 1 1100 . 5 1 1 A 96 96 SER CA C 102 62.985 60.210 2.775 1 1 1101 . 5 1 1 A 96 96 SER CB C 102 63.242 62.929 0.313 1 1 1102 . 5 1 1 A 96 96 SER N N 102 117.650 117.867 -0.217 1 1 1103 . 5 1 1 A 97 97 HIS H H 103 10.115 7.835 2.280 1 1 1104 . 5 1 1 A 97 97 HIS HA H 103 4.406 4.118 0.288 1 1 1109 . 5 1 1 A 97 97 HIS CA C 103 53.809 57.031 -3.222 1 1 1110 . 5 1 1 A 97 97 HIS CB C 103 30.329 27.469 2.860 1 1 1111 . 5 1 1 A 97 97 HIS N N 103 118.385 118.821 -0.436 1 1 1112 . 5 1 1 A 98 98 SER H H 104 7.241 7.641 -0.400 1 1 1113 . 5 1 1 A 98 98 SER HA H 104 4.406 4.642 -0.236 1 1 1116 . 5 1 1 A 98 98 SER CA C 104 56.712 57.107 -0.395 1 1 1117 . 5 1 1 A 98 98 SER CB C 104 65.461 65.381 0.080 1 1 1118 . 5 1 1 A 98 98 SER N N 104 112.298 112.407 -0.109 1 1 1119 . 5 1 1 A 99 99 ALA H H 105 8.418 8.672 -0.254 1 1 1120 . 5 1 1 A 99 99 ALA HA H 105 4.753 5.052 -0.299 1 1 1124 . 5 1 1 A 99 99 ALA C C 105 173.181 175.933 -2.752 1 1 1125 . 5 1 1 A 99 99 ALA CA C 105 51.363 51.650 -0.287 1 1 1126 . 5 1 1 A 99 99 ALA CB C 105 22.271 23.562 -1.291 1 1 1127 . 5 1 1 A 99 99 ALA N N 105 116.790 125.122 -8.332 1 1 1128 . 5 1 1 A 100 100 LEU H H 106 8.376 8.238 0.138 1 1 1129 . 5 1 1 A 100 100 LEU HA H 106 5.549 5.158 0.391 1 1 1139 . 5 1 1 A 100 100 LEU C C 106 175.338 174.916 0.422 1 1 1140 . 5 1 1 A 100 100 LEU CA C 106 53.753 53.725 0.028 1 1 1141 . 5 1 1 A 100 100 LEU CB C 106 46.393 46.170 0.223 1 1 1145 . 5 1 1 A 100 100 LEU N N 106 115.214 116.830 -1.616 1 1 1146 . 5 1 1 A 101 101 THR H H 107 8.685 8.917 -0.232 1 1 1147 . 5 1 1 A 101 101 THR HA H 107 5.287 4.985 0.302 1 1 1152 . 5 1 1 A 101 101 THR C C 107 172.493 172.639 -0.146 1 1 1153 . 5 1 1 A 101 101 THR CA C 107 57.069 59.616 -2.547 1 1 1154 . 5 1 1 A 101 101 THR CB C 107 71.308 71.201 0.107 1 1 1156 . 5 1 1 A 101 101 THR N N 107 109.441 115.922 -6.481 1 1 1157 . 5 1 1 A 102 102 ALA H H 108 8.459 7.717 0.742 1 1 1158 . 5 1 1 A 102 102 ALA HA H 108 4.366 4.925 -0.559 1 1 1162 . 5 1 1 A 102 102 ALA C C 108 173.439 175.685 -2.246 1 1 1163 . 5 1 1 A 102 102 ALA CA C 108 51.015 51.181 -0.166 1 1 1164 . 5 1 1 A 102 102 ALA CB C 108 23.424 23.358 0.066 1 1 1165 . 5 1 1 A 102 102 ALA N N 108 120.716 125.615 -4.899 1 1 1166 . 5 1 1 A 103 103 PHE H H 109 8.510 8.720 -0.210 1 1 1167 . 5 1 1 A 103 103 PHE HA H 109 4.715 5.327 -0.612 1 1 1175 . 5 1 1 A 103 103 PHE C C 109 174.173 174.531 -0.358 1 1 1176 . 5 1 1 A 103 103 PHE CA C 109 56.640 56.424 0.216 1 1 1177 . 5 1 1 A 103 103 PHE CB C 109 41.926 41.801 0.125 1 1 1178 . 5 1 1 A 103 103 PHE N N 109 115.041 118.376 -3.335 1 1 1179 . 5 1 1 A 104 104 GLN H H 110 9.832 8.862 0.970 1 1 1180 . 5 1 1 A 104 104 GLN HA H 110 5.226 5.512 -0.286 1 1 1187 . 5 1 1 A 104 104 GLN C C 110 175.186 174.243 0.943 1 1 1188 . 5 1 1 A 104 104 GLN CA C 110 53.213 54.626 -1.413 1 1 1189 . 5 1 1 A 104 104 GLN CB C 110 29.161 32.926 -3.765 1 1 1191 . 5 1 1 A 104 104 GLN N N 110 124.526 120.978 3.548 1 1 1193 . 5 1 1 A 105 105 THR H H 111 9.566 8.735 0.831 1 1 1194 . 5 1 1 A 105 105 THR HA H 111 4.186 5.054 -0.868 1 1 1199 . 5 1 1 A 105 105 THR C C 111 174.538 173.042 1.496 1 1 1200 . 5 1 1 A 105 105 THR CA C 111 66.408 60.327 6.081 1 1 1201 . 5 1 1 A 105 105 THR CB C 111 69.385 71.640 -2.255 1 1 1203 . 5 1 1 A 105 105 THR N N 111 126.760 118.866 7.894 1 1 1204 . 5 1 1 A 106 106 GLU H H 112 9.303 8.721 0.582 1 1 1205 . 5 1 1 A 106 106 GLU HA H 112 4.811 4.828 -0.017 1 1 1210 . 5 1 1 A 106 106 GLU C C 112 177.397 176.084 1.313 1 1 1211 . 5 1 1 A 106 106 GLU CA C 112 56.227 56.721 -0.494 1 1 1212 . 5 1 1 A 106 106 GLU CB C 112 31.283 30.411 0.872 1 1 1214 . 5 1 1 A 106 106 GLU N N 112 121.685 125.671 -3.986 1 1 1215 . 5 1 1 A 107 107 GLN H H 113 7.954 7.933 0.021 1 1 1216 . 5 1 1 A 107 107 GLN HA H 113 5.233 4.590 0.643 1 1 1221 . 5 1 1 A 107 107 GLN C C 113 173.999 175.631 -1.632 1 1 1222 . 5 1 1 A 107 107 GLN CA C 113 53.837 55.541 -1.704 1 1 1223 . 5 1 1 A 107 107 GLN CB C 113 32.543 29.346 3.197 1 1 1225 . 5 1 1 A 107 107 GLN N N 113 117.612 117.372 0.240 1 1 1226 . 5 1 1 A 108 108 ILE H H 114 8.969 8.857 0.112 1 1 1227 . 5 1 1 A 108 108 ILE HA H 114 4.907 4.822 0.085 1 1 1237 . 5 1 1 A 108 108 ILE C C 114 174.089 174.185 -0.096 1 1 1238 . 5 1 1 A 108 108 ILE CA C 114 58.954 58.390 0.564 1 1 1239 . 5 1 1 A 108 108 ILE CB C 114 42.799 42.178 0.621 1 1 1243 . 5 1 1 A 108 108 ILE N N 114 115.049 120.979 -5.930 1 1 1244 . 5 1 1 A 109 109 GLN H H 115 7.421 8.101 -0.680 1 1 1245 . 5 1 1 A 109 109 GLN HA H 115 4.405 4.706 -0.301 1 1 1252 . 5 1 1 A 109 109 GLN C C 115 175.654 174.525 1.129 1 1 1253 . 5 1 1 A 109 109 GLN CA C 115 56.086 55.394 0.692 1 1 1254 . 5 1 1 A 109 109 GLN CB C 115 28.483 29.846 -1.363 1 1 1256 . 5 1 1 A 109 109 GLN N N 115 121.959 123.941 -1.982 1 1 1258 . 5 1 1 A 110 110 ASP H H 116 8.569 8.372 0.197 1 1 1259 . 5 1 1 A 110 110 ASP HA H 116 4.377 5.210 -0.833 1 1 1262 . 5 1 1 A 110 110 ASP C C 116 176.662 175.565 1.097 1 1 1263 . 5 1 1 A 110 110 ASP CA C 116 53.511 53.248 0.263 1 1 1264 . 5 1 1 A 110 110 ASP CB C 116 41.187 44.014 -2.827 1 1 1265 . 5 1 1 A 110 110 ASP N N 116 125.621 123.075 2.546 1 1 1266 . 5 1 1 A 111 111 SER H H 117 8.445 8.959 -0.514 1 1 1267 . 5 1 1 A 111 111 SER HA H 117 4.024 4.464 -0.440 1 1 1270 . 5 1 1 A 111 111 SER C C 117 174.783 173.892 0.891 1 1 1271 . 5 1 1 A 111 111 SER CA C 117 60.782 58.440 2.342 1 1 1272 . 5 1 1 A 111 111 SER CB C 117 62.560 62.910 -0.350 1 1 1273 . 5 1 1 A 111 111 SER N N 117 120.732 118.217 2.515 1 1 1274 . 5 1 1 A 112 112 GLU H H 118 8.246 7.757 0.489 1 1 1275 . 5 1 1 A 112 112 GLU HA H 118 4.044 4.473 -0.429 1 1 1280 . 5 1 1 A 112 112 GLU C C 118 175.899 176.712 -0.813 1 1 1281 . 5 1 1 A 112 112 GLU CA C 118 56.016 57.430 -1.414 1 1 1282 . 5 1 1 A 112 112 GLU CB C 118 29.853 31.220 -1.367 1 1 1284 . 5 1 1 A 112 112 GLU N N 118 119.367 120.232 -0.865 1 1 1285 . 5 1 1 A 113 113 HIS H H 119 7.418 7.926 -0.508 1 1 1286 . 5 1 1 A 113 113 HIS HA H 119 4.607 4.758 -0.151 1 1 1291 . 5 1 1 A 113 113 HIS C C 119 173.527 174.907 -1.380 1 1 1292 . 5 1 1 A 113 113 HIS CA C 119 54.515 54.704 -0.189 1 1 1293 . 5 1 1 A 113 113 HIS CB C 119 28.667 29.936 -1.269 1 1 1294 . 5 1 1 A 113 113 HIS N N 119 117.287 119.417 -2.130 1 1 1295 . 5 1 1 A 114 114 SER H H 120 8.398 8.183 0.215 1 1 1296 . 5 1 1 A 114 114 SER HA H 120 4.183 4.100 0.083 1 1 1299 . 5 1 1 A 114 114 SER C C 120 175.690 174.388 1.302 1 1 1300 . 5 1 1 A 114 114 SER CA C 120 59.149 59.623 -0.474 1 1 1301 . 5 1 1 A 114 114 SER CB C 120 62.820 61.211 1.609 1 1 1302 . 5 1 1 A 114 114 SER N N 120 116.771 114.838 1.933 1 1 1303 . 5 1 1 A 115 115 GLY H H 121 8.733 8.079 0.654 1 1 1304 . 5 1 1 A 115 115 GLY HA2 H 121 4.052 4.133 -0.081 1 1 1305 . 5 1 1 A 115 115 GLY HA3 H 121 3.724 4.134 -0.410 1 1 1306 . 5 1 1 A 115 115 GLY C C 121 173.540 173.860 -0.320 1 1 1307 . 5 1 1 A 115 115 GLY CA C 121 44.692 45.804 -1.112 1 1 1308 . 5 1 1 A 115 115 GLY N N 121 112.197 107.935 4.262 1 1 1309 . 5 1 1 A 116 116 LYS H H 122 7.796 7.904 -0.108 1 1 1310 . 5 1 1 A 116 116 LYS HA H 122 4.465 4.349 0.116 1 1 1317 . 5 1 1 A 116 116 LYS C C 122 175.090 175.530 -0.440 1 1 1318 . 5 1 1 A 116 116 LYS CA C 122 55.122 56.404 -1.282 1 1 1319 . 5 1 1 A 116 116 LYS CB C 122 33.861 34.211 -0.350 1 1 1322 . 5 1 1 A 116 116 LYS N N 122 120.212 119.620 0.592 1 1 1323 . 5 1 1 A 117 117 MET H H 123 8.348 8.537 -0.189 1 1 1324 . 5 1 1 A 117 117 MET HA H 123 5.082 5.016 0.066 1 1 1332 . 5 1 1 A 117 117 MET C C 123 176.210 174.193 2.017 1 1 1333 . 5 1 1 A 117 117 MET CA C 123 52.928 54.425 -1.497 1 1 1334 . 5 1 1 A 117 117 MET CB C 123 33.841 35.507 -1.666 1 1 1337 . 5 1 1 A 117 117 MET N N 123 119.755 120.665 -0.910 1 1 1338 . 5 1 1 A 118 118 VAL H H 124 9.242 8.852 0.390 1 1 1339 . 5 1 1 A 118 118 VAL HA H 124 4.469 4.928 -0.459 1 1 1347 . 5 1 1 A 118 118 VAL C C 124 173.967 173.918 0.049 1 1 1348 . 5 1 1 A 118 118 VAL CA C 124 59.056 59.266 -0.210 1 1 1349 . 5 1 1 A 118 118 VAL CB C 124 34.376 36.205 -1.829 1 1 1351 . 5 1 1 A 118 118 VAL N N 124 118.546 119.148 -0.602 1 1 1352 . 5 1 1 A 119 119 ALA H H 125 8.327 8.846 -0.519 1 1 1353 . 5 1 1 A 119 119 ALA HA H 125 4.624 5.032 -0.408 1 1 1357 . 5 1 1 A 119 119 ALA C C 125 177.165 177.221 -0.056 1 1 1358 . 5 1 1 A 119 119 ALA CA C 125 52.043 50.625 1.418 1 1 1359 . 5 1 1 A 119 119 ALA CB C 125 18.232 19.985 -1.753 1 1 1360 . 5 1 1 A 119 119 ALA N N 125 125.947 124.853 1.094 1 1 1361 . 5 1 1 A 120 120 LYS H H 126 7.604 8.440 -0.836 1 1 1362 . 5 1 1 A 120 120 LYS HA H 126 4.046 4.578 -0.532 1 1 1371 . 5 1 1 A 120 120 LYS C C 126 172.631 176.069 -3.438 1 1 1372 . 5 1 1 A 120 120 LYS CA C 126 56.023 55.834 0.189 1 1 1373 . 5 1 1 A 120 120 LYS CB C 126 34.482 33.603 0.879 1 1 1377 . 5 1 1 A 120 120 LYS N N 126 126.149 122.709 3.440 1 1 1378 . 5 1 1 A 121 121 ARG H H 127 8.308 8.898 -0.590 1 1 1379 . 5 1 1 A 121 121 ARG HA H 127 4.901 4.939 -0.038 1 1 1384 . 5 1 1 A 121 121 ARG C C 127 176.253 175.878 0.375 1 1 1385 . 5 1 1 A 121 121 ARG CA C 127 55.564 55.056 0.508 1 1 1386 . 5 1 1 A 121 121 ARG CB C 127 28.273 30.354 -2.081 1 1 1388 . 5 1 1 A 121 121 ARG N N 127 122.760 118.336 4.424 1 1 1389 . 5 1 1 A 122 122 GLN H H 128 7.529 7.811 -0.282 1 1 1390 . 5 1 1 A 122 122 GLN HA H 128 4.541 4.515 0.026 1 1 1397 . 5 1 1 A 122 122 GLN C C 128 172.163 174.838 -2.675 1 1 1398 . 5 1 1 A 122 122 GLN CA C 128 54.218 55.389 -1.171 1 1 1399 . 5 1 1 A 122 122 GLN CB C 128 32.064 27.810 4.254 1 1 1401 . 5 1 1 A 122 122 GLN N N 128 121.022 120.532 0.490 1 1 1403 . 5 1 1 A 123 123 PHE H H 129 8.620 9.059 -0.439 1 1 1404 . 5 1 1 A 123 123 PHE HA H 129 6.040 5.165 0.875 1 1 1411 . 5 1 1 A 123 123 PHE C C 129 174.530 174.202 0.328 1 1 1412 . 5 1 1 A 123 123 PHE CA C 129 56.026 56.894 -0.868 1 1 1413 . 5 1 1 A 123 123 PHE CB C 129 42.143 40.908 1.235 1 1 1414 . 5 1 1 A 123 123 PHE N N 129 125.540 127.963 -2.423 1 1 1415 . 5 1 1 A 124 124 ARG H H 130 8.018 8.584 -0.566 1 1 1416 . 5 1 1 A 124 124 ARG HA H 130 4.366 4.825 -0.459 1 1 1423 . 5 1 1 A 124 124 ARG C C 130 172.139 174.540 -2.401 1 1 1424 . 5 1 1 A 124 124 ARG CA C 130 53.422 53.906 -0.484 1 1 1425 . 5 1 1 A 124 124 ARG CB C 130 32.310 34.122 -1.812 1 1 1428 . 5 1 1 A 124 124 ARG N N 130 125.264 126.079 -0.815 1 1 1429 . 5 1 1 A 125 125 ILE H H 131 8.462 8.252 0.210 1 1 1430 . 5 1 1 A 125 125 ILE HA H 131 3.883 4.422 -0.539 1 1 1440 . 5 1 1 A 125 125 ILE C C 131 175.487 175.258 0.229 1 1 1441 . 5 1 1 A 125 125 ILE CA C 131 58.339 61.718 -3.379 1 1 1442 . 5 1 1 A 125 125 ILE CB C 131 35.673 39.143 -3.470 1 1 1446 . 5 1 1 A 125 125 ILE N N 131 121.887 123.822 -1.935 1 1 1447 . 5 1 1 A 126 126 GLY H H 132 8.814 8.266 0.548 1 1 1448 . 5 1 1 A 126 126 GLY HA2 H 132 4.062 4.272 -0.210 1 1 1449 . 5 1 1 A 126 126 GLY HA3 H 132 4.062 4.328 -0.266 1 1 1450 . 5 1 1 A 126 126 GLY C C 132 171.583 172.951 -1.368 1 1 1451 . 5 1 1 A 126 126 GLY CA C 132 44.157 43.978 0.179 1 1 1452 . 5 1 1 A 126 126 GLY N N 132 115.675 114.970 0.705 1 1 1453 . 5 1 1 A 127 127 ASP H H 133 7.914 8.609 -0.695 1 1 1454 . 5 1 1 A 127 127 ASP HA H 133 4.584 4.718 -0.134 1 1 1457 . 5 1 1 A 127 127 ASP C C 133 174.132 176.108 -1.976 1 1 1458 . 5 1 1 A 127 127 ASP CA C 133 54.822 54.912 -0.090 1 1 1459 . 5 1 1 A 127 127 ASP CB C 133 45.407 41.566 3.841 1 1 1460 . 5 1 1 A 127 127 ASP N N 133 123.737 119.402 4.335 1 1 1461 . 5 1 1 A 128 128 ILE H H 134 8.258 8.547 -0.289 1 1 1462 . 5 1 1 A 128 128 ILE HA H 134 4.392 4.663 -0.271 1 1 1472 . 5 1 1 A 128 128 ILE C C 134 174.799 175.771 -0.972 1 1 1473 . 5 1 1 A 128 128 ILE CA C 134 61.596 60.301 1.295 1 1 1474 . 5 1 1 A 128 128 ILE CB C 134 37.549 38.992 -1.443 1 1 1478 . 5 1 1 A 128 128 ILE N N 134 119.105 122.635 -3.530 1 1 1479 . 5 1 1 A 129 129 ALA H H 135 8.607 9.017 -0.410 1 1 1480 . 5 1 1 A 129 129 ALA HA H 135 4.757 5.480 -0.723 1 1 1484 . 5 1 1 A 129 129 ALA C C 135 173.358 176.929 -3.571 1 1 1485 . 5 1 1 A 129 129 ALA CA C 135 50.608 50.221 0.387 1 1 1486 . 5 1 1 A 129 129 ALA CB C 135 23.348 22.290 1.058 1 1 1487 . 5 1 1 A 129 129 ALA N N 135 129.336 130.294 -0.958 1 1 1488 . 5 1 1 A 130 130 GLY H H 136 7.514 8.135 -0.621 1 1 1489 . 5 1 1 A 130 130 GLY HA2 H 136 3.551 2.517 1.034 1 1 1490 . 5 1 1 A 130 130 GLY HA3 H 136 4.422 3.773 0.649 1 1 1491 . 5 1 1 A 130 130 GLY C C 136 172.609 171.389 1.220 1 1 1492 . 5 1 1 A 130 130 GLY CA C 136 44.315 45.392 -1.077 1 1 1493 . 5 1 1 A 130 130 GLY N N 136 101.232 107.223 -5.991 1 1 1494 . 5 1 1 A 131 131 GLU H H 137 8.225 8.519 -0.294 1 1 1495 . 5 1 1 A 131 131 GLU HA H 137 4.540 4.590 -0.050 1 1 1500 . 5 1 1 A 131 131 GLU C C 137 174.864 176.071 -1.207 1 1 1501 . 5 1 1 A 131 131 GLU CA C 137 53.120 56.046 -2.926 1 1 1502 . 5 1 1 A 131 131 GLU CB C 137 28.254 29.606 -1.352 1 1 1504 . 5 1 1 A 131 131 GLU N N 137 121.002 120.067 0.935 1 1 1505 . 5 1 1 A 132 132 HIS H H 138 8.054 8.514 -0.460 1 1 1506 . 5 1 1 A 132 132 HIS HA H 138 4.771 4.692 0.079 1 1 1511 . 5 1 1 A 132 132 HIS C C 138 175.411 175.720 -0.309 1 1 1512 . 5 1 1 A 132 132 HIS CA C 138 57.942 57.615 0.327 1 1 1513 . 5 1 1 A 132 132 HIS CB C 138 27.710 30.335 -2.625 1 1 1514 . 5 1 1 A 132 132 HIS N N 138 124.204 124.722 -0.518 1 1 1515 . 5 1 1 A 133 133 THR H H 139 9.056 8.708 0.348 1 1 1516 . 5 1 1 A 133 133 THR HA H 139 3.864 4.629 -0.765 1 1 1521 . 5 1 1 A 133 133 THR C C 139 174.178 174.508 -0.330 1 1 1522 . 5 1 1 A 133 133 THR CA C 139 63.225 61.209 2.016 1 1 1523 . 5 1 1 A 133 133 THR CB C 139 68.127 69.214 -1.087 1 1 1525 . 5 1 1 A 133 133 THR N N 139 125.345 119.151 6.194 1 1 1526 . 5 1 1 A 134 134 SER H H 140 8.834 8.874 -0.040 1 1 1527 . 5 1 1 A 134 134 SER HA H 140 4.560 4.565 -0.005 1 1 1530 . 5 1 1 A 134 134 SER C C 140 176.713 174.649 2.064 1 1 1531 . 5 1 1 A 134 134 SER CA C 140 57.961 60.304 -2.343 1 1 1532 . 5 1 1 A 134 134 SER CB C 140 63.030 63.259 -0.229 1 1 1533 . 5 1 1 A 134 134 SER N N 140 121.791 124.523 -2.732 1 1 1534 . 5 1 1 A 135 135 PHE H H 141 9.597 8.795 0.802 1 1 1535 . 5 1 1 A 135 135 PHE HA H 141 3.953 4.526 -0.573 1 1 1542 . 5 1 1 A 135 135 PHE C C 141 175.375 176.327 -0.952 1 1 1543 . 5 1 1 A 135 135 PHE CA C 141 61.339 59.480 1.859 1 1 1544 . 5 1 1 A 135 135 PHE CB C 141 39.394 39.575 -0.181 1 1 1545 . 5 1 1 A 135 135 PHE N N 141 128.822 126.978 1.844 1 1 1546 . 5 1 1 A 136 136 ASP H H 142 8.017 8.319 -0.302 1 1 1547 . 5 1 1 A 136 136 ASP HA H 142 4.352 4.449 -0.097 1 1 1550 . 5 1 1 A 136 136 ASP C C 142 175.358 177.211 -1.853 1 1 1551 . 5 1 1 A 136 136 ASP CA C 142 55.223 55.653 -0.430 1 1 1552 . 5 1 1 A 136 136 ASP CB C 142 40.968 40.688 0.280 1 1 1553 . 5 1 1 A 136 136 ASP N N 142 113.108 118.252 -5.144 1 1 1554 . 5 1 1 A 137 137 LYS H H 143 7.340 7.684 -0.344 1 1 1555 . 5 1 1 A 137 137 LYS HA H 143 4.439 4.380 0.059 1 1 1564 . 5 1 1 A 137 137 LYS C C 143 175.571 177.014 -1.443 1 1 1565 . 5 1 1 A 137 137 LYS CA C 143 54.096 57.704 -3.608 1 1 1566 . 5 1 1 A 137 137 LYS CB C 143 32.545 33.397 -0.852 1 1 1570 . 5 1 1 A 137 137 LYS N N 143 117.716 117.840 -0.124 1 1 1571 . 5 1 1 A 138 138 LEU H H 144 6.698 7.906 -1.208 1 1 1572 . 5 1 1 A 138 138 LEU HA H 144 3.903 4.390 -0.487 1 1 1582 . 5 1 1 A 138 138 LEU C C 144 174.123 175.890 -1.767 1 1 1583 . 5 1 1 A 138 138 LEU CA C 144 52.843 56.542 -3.699 1 1 1584 . 5 1 1 A 138 138 LEU CB C 144 40.993 41.498 -0.505 1 1 1588 . 5 1 1 A 138 138 LEU N N 144 120.536 119.725 0.811 1 1 1589 . 5 1 1 A 139 139 PRO HA H 145 4.040 4.515 -0.475 1 1 1596 . 5 1 1 A 139 139 PRO C C 145 172.700 176.201 -3.501 1 1 1597 . 5 1 1 A 139 139 PRO CA C 145 62.654 62.304 0.350 1 1 1598 . 5 1 1 A 139 139 PRO CB C 145 30.086 32.607 -2.521 1 1 1601 . 5 1 1 A 140 140 GLU H H 146 8.343 8.718 -0.375 1 1 1602 . 5 1 1 A 140 140 GLU HA H 146 3.970 4.526 -0.556 1 1 1607 . 5 1 1 A 140 140 GLU C C 146 176.009 175.699 0.310 1 1 1608 . 5 1 1 A 140 140 GLU CA C 146 56.119 55.894 0.225 1 1 1609 . 5 1 1 A 140 140 GLU CB C 146 30.086 31.508 -1.422 1 1 1611 . 5 1 1 A 140 140 GLU N N 146 119.063 120.808 -1.745 1 1 1612 . 5 1 1 A 141 141 GLY H H 147 7.241 7.477 -0.236 1 1 1613 . 5 1 1 A 141 141 GLY HA2 H 147 3.918 4.110 -0.192 1 1 1614 . 5 1 1 A 141 141 GLY HA3 H 147 3.814 4.166 -0.352 1 1 1615 . 5 1 1 A 141 141 GLY C C 147 171.657 173.203 -1.546 1 1 1616 . 5 1 1 A 141 141 GLY CA C 147 43.929 45.732 -1.803 1 1 1617 . 5 1 1 A 141 141 GLY N N 147 104.270 107.752 -3.482 1 1 1618 . 5 1 1 A 142 142 GLY H H 148 8.241 8.539 -0.298 1 1 1619 . 5 1 1 A 142 142 GLY HA2 H 148 3.710 4.082 -0.372 1 1 1620 . 5 1 1 A 142 142 GLY HA3 H 148 4.350 4.091 0.259 1 1 1621 . 5 1 1 A 142 142 GLY C C 148 171.767 173.052 -1.285 1 1 1622 . 5 1 1 A 142 142 GLY CA C 148 43.649 44.988 -1.339 1 1 1623 . 5 1 1 A 142 142 GLY N N 148 106.996 107.317 -0.321 1 1 1624 . 5 1 1 A 143 143 ARG H H 149 8.214 8.223 -0.009 1 1 1625 . 5 1 1 A 143 143 ARG HA H 149 5.376 5.382 -0.006 1 1 1632 . 5 1 1 A 143 143 ARG C C 149 174.981 174.006 0.975 1 1 1633 . 5 1 1 A 143 143 ARG CA C 149 54.235 54.261 -0.026 1 1 1634 . 5 1 1 A 143 143 ARG CB C 149 32.988 33.881 -0.893 1 1 1637 . 5 1 1 A 143 143 ARG N N 149 117.762 116.733 1.029 1 1 1638 . 5 1 1 A 144 144 ALA H H 150 9.030 8.370 0.660 1 1 1639 . 5 1 1 A 144 144 ALA HA H 150 4.730 4.889 -0.159 1 1 1643 . 5 1 1 A 144 144 ALA C C 150 175.012 175.668 -0.656 1 1 1644 . 5 1 1 A 144 144 ALA CA C 150 50.732 50.064 0.668 1 1 1645 . 5 1 1 A 144 144 ALA CB C 150 23.448 20.238 3.210 1 1 1646 . 5 1 1 A 144 144 ALA N N 150 126.630 124.214 2.416 1 1 1647 . 5 1 1 A 145 145 THR H H 151 8.560 8.885 -0.325 1 1 1648 . 5 1 1 A 145 145 THR HA H 151 4.846 4.442 0.404 1 1 1653 . 5 1 1 A 145 145 THR C C 151 171.870 173.381 -1.511 1 1 1654 . 5 1 1 A 145 145 THR CA C 151 61.997 61.365 0.632 1 1 1655 . 5 1 1 A 145 145 THR CB C 151 69.746 66.736 3.010 1 1 1657 . 5 1 1 A 145 145 THR N N 151 117.942 119.396 -1.454 1 1 1658 . 5 1 1 A 146 146 TYR H H 152 10.008 8.234 1.774 1 1 1659 . 5 1 1 A 146 146 TYR HA H 152 4.580 4.828 -0.248 1 1 1666 . 5 1 1 A 146 146 TYR C C 152 174.627 175.597 -0.970 1 1 1667 . 5 1 1 A 146 146 TYR CA C 152 55.835 58.950 -3.115 1 1 1668 . 5 1 1 A 146 146 TYR CB C 152 40.094 39.360 0.734 1 1 1669 . 5 1 1 A 146 146 TYR N N 152 126.097 126.221 -0.124 1 1 1670 . 5 1 1 A 147 147 ARG H H 153 8.860 8.828 0.032 1 1 1671 . 5 1 1 A 147 147 ARG HA H 153 5.404 5.398 0.006 1 1 1678 . 5 1 1 A 147 147 ARG C C 153 177.446 175.092 2.354 1 1 1679 . 5 1 1 A 147 147 ARG CA C 153 54.024 54.575 -0.551 1 1 1680 . 5 1 1 A 147 147 ARG CB C 153 33.539 33.950 -0.411 1 1 1683 . 5 1 1 A 147 147 ARG N N 153 121.042 122.111 -1.069 1 1 1684 . 5 1 1 A 148 148 GLY H H 154 8.916 8.112 0.804 1 1 1685 . 5 1 1 A 148 148 GLY HA2 H 154 4.816 4.290 0.526 1 1 1686 . 5 1 1 A 148 148 GLY HA3 H 154 4.422 4.355 0.067 1 1 1687 . 5 1 1 A 148 148 GLY C C 154 173.831 171.569 2.262 1 1 1688 . 5 1 1 A 148 148 GLY CA C 154 46.752 45.340 1.412 1 1 1689 . 5 1 1 A 148 148 GLY N N 154 114.154 111.380 2.774 1 1 1690 . 5 1 1 A 149 149 THR H H 155 9.063 8.542 0.521 1 1 1691 . 5 1 1 A 149 149 THR HA H 155 4.711 4.978 -0.267 1 1 1696 . 5 1 1 A 149 149 THR C C 155 170.370 173.864 -3.494 1 1 1697 . 5 1 1 A 149 149 THR CA C 155 62.316 62.189 0.127 1 1 1698 . 5 1 1 A 149 149 THR CB C 155 72.596 70.469 2.127 1 1 1700 . 5 1 1 A 149 149 THR N N 155 126.410 115.815 10.595 1 1 1701 . 5 1 1 A 150 150 ALA H H 156 7.091 9.031 -1.940 1 1 1702 . 5 1 1 A 150 150 ALA HA H 156 5.289 5.595 -0.306 1 1 1706 . 5 1 1 A 150 150 ALA C C 156 173.965 176.312 -2.347 1 1 1707 . 5 1 1 A 150 150 ALA CA C 156 48.843 50.037 -1.194 1 1 1708 . 5 1 1 A 150 150 ALA CB C 156 22.573 22.830 -0.257 1 1 1709 . 5 1 1 A 150 150 ALA N N 156 127.540 128.791 -1.251 1 1 1710 . 5 1 1 A 151 151 PHE H H 157 8.536 8.461 0.075 1 1 1711 . 5 1 1 A 151 151 PHE HA H 157 5.442 5.485 -0.043 1 1 1718 . 5 1 1 A 151 151 PHE C C 157 171.891 173.517 -1.626 1 1 1719 . 5 1 1 A 151 151 PHE CA C 157 53.282 55.271 -1.989 1 1 1720 . 5 1 1 A 151 151 PHE CB C 157 41.020 41.887 -0.867 1 1 1721 . 5 1 1 A 151 151 PHE N N 157 117.013 115.914 1.099 1 1 1722 . 5 1 1 A 152 152 GLY H H 158 8.548 8.290 0.258 1 1 1723 . 5 1 1 A 152 152 GLY HA2 H 158 4.003 4.072 -0.069 1 1 1724 . 5 1 1 A 152 152 GLY HA3 H 158 3.124 4.111 -0.987 1 1 1725 . 5 1 1 A 152 152 GLY C C 158 173.148 173.428 -0.280 1 1 1726 . 5 1 1 A 152 152 GLY CA C 158 42.630 45.445 -2.815 1 1 1727 . 5 1 1 A 152 152 GLY N N 158 108.356 106.005 2.351 1 1 1728 . 5 1 1 A 153 153 SER H H 159 7.610 8.922 -1.312 1 1 1729 . 5 1 1 A 153 153 SER HA H 159 3.421 4.226 -0.805 1 1 1732 . 5 1 1 A 153 153 SER C C 159 176.057 174.278 1.779 1 1 1733 . 5 1 1 A 153 153 SER CA C 159 58.787 58.832 -0.045 1 1 1734 . 5 1 1 A 153 153 SER CB C 159 61.886 62.769 -0.883 1 1 1735 . 5 1 1 A 153 153 SER N N 159 115.173 115.980 -0.807 1 1 1736 . 5 1 1 A 154 154 ASP H H 160 9.894 8.552 1.342 1 1 1737 . 5 1 1 A 154 154 ASP HA H 160 4.168 4.983 -0.815 1 1 1740 . 5 1 1 A 154 154 ASP C C 160 175.191 175.351 -0.160 1 1 1741 . 5 1 1 A 154 154 ASP CA C 160 55.398 55.199 0.199 1 1 1742 . 5 1 1 A 154 154 ASP CB C 160 39.212 44.214 -5.002 1 1 1743 . 5 1 1 A 154 154 ASP N N 160 124.828 120.820 4.008 1 1 1744 . 5 1 1 A 155 155 ASP H H 161 7.520 7.404 0.116 1 1 1745 . 5 1 1 A 155 155 ASP HA H 161 4.568 4.947 -0.379 1 1 1748 . 5 1 1 A 155 155 ASP C C 161 172.658 176.304 -3.646 1 1 1749 . 5 1 1 A 155 155 ASP CA C 161 54.342 55.617 -1.275 1 1 1750 . 5 1 1 A 155 155 ASP CB C 161 40.619 42.289 -1.670 1 1 1751 . 5 1 1 A 155 155 ASP N N 161 116.749 117.125 -0.376 1 1 1752 . 5 1 1 A 156 156 ALA H H 162 8.544 7.939 0.605 1 1 1753 . 5 1 1 A 156 156 ALA HA H 162 4.916 4.401 0.515 1 1 1757 . 5 1 1 A 156 156 ALA C C 162 177.708 178.750 -1.042 1 1 1758 . 5 1 1 A 156 156 ALA CA C 162 49.878 52.740 -2.862 1 1 1759 . 5 1 1 A 156 156 ALA CB C 162 17.473 21.103 -3.630 1 1 1760 . 5 1 1 A 156 156 ALA N N 162 128.246 118.612 9.634 1 1 1761 . 5 1 1 A 157 157 GLY H H 163 8.406 8.774 -0.368 1 1 1762 . 5 1 1 A 157 157 GLY HA2 H 163 4.286 3.850 0.436 1 1 1763 . 5 1 1 A 157 157 GLY HA3 H 163 3.894 3.863 0.031 1 1 1764 . 5 1 1 A 157 157 GLY C C 163 174.344 173.719 0.625 1 1 1765 . 5 1 1 A 157 157 GLY CA C 163 45.049 45.325 -0.276 1 1 1766 . 5 1 1 A 157 157 GLY N N 163 106.545 108.310 -1.765 1 1 1767 . 5 1 1 A 158 158 GLY H H 164 7.128 8.321 -1.193 1 1 1768 . 5 1 1 A 158 158 GLY HA2 H 164 4.118 4.110 0.008 1 1 1769 . 5 1 1 A 158 158 GLY HA3 H 164 3.641 4.152 -0.511 1 1 1770 . 5 1 1 A 158 158 GLY C C 164 173.903 172.116 1.787 1 1 1771 . 5 1 1 A 158 158 GLY CA C 164 45.225 44.318 0.907 1 1 1772 . 5 1 1 A 158 158 GLY N N 164 106.404 107.621 -1.217 1 1 1773 . 5 1 1 A 159 159 LYS H H 165 9.647 8.360 1.287 1 1 1774 . 5 1 1 A 159 159 LYS HA H 165 5.052 5.090 -0.038 1 1 1781 . 5 1 1 A 159 159 LYS C C 165 174.390 175.251 -0.861 1 1 1782 . 5 1 1 A 159 159 LYS CA C 165 53.501 54.387 -0.886 1 1 1783 . 5 1 1 A 159 159 LYS CB C 165 34.622 36.521 -1.899 1 1 1786 . 5 1 1 A 159 159 LYS N N 165 123.930 120.139 3.791 1 1 1787 . 5 1 1 A 160 160 LEU H H 166 7.706 8.539 -0.833 1 1 1788 . 5 1 1 A 160 160 LEU HA H 166 4.873 5.509 -0.636 1 1 1798 . 5 1 1 A 160 160 LEU C C 166 174.825 175.838 -1.013 1 1 1799 . 5 1 1 A 160 160 LEU CA C 166 52.677 52.820 -0.143 1 1 1800 . 5 1 1 A 160 160 LEU CB C 166 44.629 46.383 -1.754 1 1 1804 . 5 1 1 A 160 160 LEU N N 166 126.271 118.818 7.453 1 1 1805 . 5 1 1 A 161 161 THR H H 167 8.374 8.870 -0.496 1 1 1806 . 5 1 1 A 161 161 THR HA H 167 4.949 5.241 -0.292 1 1 1811 . 5 1 1 A 161 161 THR C C 167 172.102 173.496 -1.394 1 1 1812 . 5 1 1 A 161 161 THR CA C 167 61.761 61.356 0.405 1 1 1813 . 5 1 1 A 161 161 THR CB C 167 70.169 70.601 -0.432 1 1 1815 . 5 1 1 A 161 161 THR N N 167 122.977 115.632 7.345 1 1 1816 . 5 1 1 A 162 162 TYR H H 168 9.174 9.314 -0.140 1 1 1817 . 5 1 1 A 162 162 TYR HA H 168 4.766 5.231 -0.465 1 1 1824 . 5 1 1 A 162 162 TYR C C 168 172.249 175.020 -2.771 1 1 1825 . 5 1 1 A 162 162 TYR CA C 168 58.162 56.211 1.951 1 1 1826 . 5 1 1 A 162 162 TYR CB C 168 43.746 43.545 0.201 1 1 1827 . 5 1 1 A 162 162 TYR N N 168 128.112 125.153 2.959 1 1 1828 . 5 1 1 A 163 163 THR H H 169 8.711 8.599 0.112 1 1 1829 . 5 1 1 A 163 163 THR HA H 169 5.402 5.222 0.180 1 1 1834 . 5 1 1 A 163 163 THR C C 169 172.520 171.822 0.698 1 1 1835 . 5 1 1 A 163 163 THR CA C 169 60.804 60.111 0.693 1 1 1836 . 5 1 1 A 163 163 THR CB C 169 70.818 71.731 -0.913 1 1 1838 . 5 1 1 A 163 163 THR N N 169 124.549 114.928 9.621 1 1 1839 . 5 1 1 A 164 164 ILE H H 170 8.927 8.894 0.033 1 1 1840 . 5 1 1 A 164 164 ILE HA H 170 4.313 4.869 -0.556 1 1 1850 . 5 1 1 A 164 164 ILE C C 170 173.105 173.760 -0.655 1 1 1851 . 5 1 1 A 164 164 ILE CA C 170 60.595 59.737 0.858 1 1 1852 . 5 1 1 A 164 164 ILE CB C 170 41.274 40.623 0.651 1 1 1856 . 5 1 1 A 164 164 ILE N N 170 123.685 126.949 -3.264 1 1 1857 . 5 1 1 A 165 165 ASP H H 171 8.372 8.806 -0.434 1 1 1858 . 5 1 1 A 165 165 ASP HA H 171 4.750 4.755 -0.005 1 1 1861 . 5 1 1 A 165 165 ASP C C 171 177.213 176.013 1.200 1 1 1862 . 5 1 1 A 165 165 ASP CA C 171 51.669 53.625 -1.956 1 1 1863 . 5 1 1 A 165 165 ASP CB C 171 41.730 38.957 2.773 1 1 1864 . 5 1 1 A 165 165 ASP N N 171 125.168 129.661 -4.493 1 1 1865 . 5 1 1 A 166 166 PHE H H 172 8.968 7.854 1.114 1 1 1866 . 5 1 1 A 166 166 PHE HA H 172 3.879 4.155 -0.276 1 1 1874 . 5 1 1 A 166 166 PHE C C 172 176.940 178.238 -1.298 1 1 1875 . 5 1 1 A 166 166 PHE CA C 172 61.543 60.275 1.268 1 1 1876 . 5 1 1 A 166 166 PHE CB C 172 37.424 38.341 -0.917 1 1 1877 . 5 1 1 A 166 166 PHE N N 172 123.597 121.653 1.944 1 1 1878 . 5 1 1 A 167 167 ALA H H 173 8.266 8.230 0.036 1 1 1879 . 5 1 1 A 167 167 ALA HA H 173 4.322 4.351 -0.029 1 1 1883 . 5 1 1 A 167 167 ALA C C 173 178.888 177.933 0.955 1 1 1884 . 5 1 1 A 167 167 ALA CA C 173 54.458 54.439 0.019 1 1 1885 . 5 1 1 A 167 167 ALA CB C 173 17.591 18.344 -0.753 1 1 1886 . 5 1 1 A 167 167 ALA N N 173 122.113 121.689 0.424 1 1 1887 . 5 1 1 A 168 168 ALA H H 174 7.405 7.681 -0.276 1 1 1888 . 5 1 1 A 168 168 ALA HA H 174 4.096 4.442 -0.346 1 1 1892 . 5 1 1 A 168 168 ALA C C 174 176.605 177.533 -0.928 1 1 1893 . 5 1 1 A 168 168 ALA CA C 174 51.225 51.322 -0.097 1 1 1894 . 5 1 1 A 168 168 ALA CB C 174 18.307 19.094 -0.787 1 1 1895 . 5 1 1 A 168 168 ALA N N 174 118.760 119.949 -1.189 1 1 1896 . 5 1 1 A 169 169 LYS H H 175 7.906 7.966 -0.060 1 1 1897 . 5 1 1 A 169 169 LYS HA H 175 3.391 3.931 -0.540 1 1 1904 . 5 1 1 A 169 169 LYS C C 175 174.608 175.345 -0.737 1 1 1905 . 5 1 1 A 169 169 LYS CA C 175 57.049 57.232 -0.183 1 1 1906 . 5 1 1 A 169 169 LYS CB C 175 30.051 30.012 0.039 1 1 1909 . 5 1 1 A 169 169 LYS N N 175 114.394 115.734 -1.340 1 1 1910 . 5 1 1 A 170 170 GLN H H 176 7.629 7.264 0.365 1 1 1911 . 5 1 1 A 170 170 GLN HA H 176 5.414 4.788 0.626 1 1 1918 . 5 1 1 A 170 170 GLN C C 176 174.325 174.651 -0.326 1 1 1919 . 5 1 1 A 170 170 GLN CA C 176 54.393 54.831 -0.438 1 1 1920 . 5 1 1 A 170 170 GLN CB C 176 34.771 30.017 4.754 1 1 1922 . 5 1 1 A 170 170 GLN N N 176 116.433 119.429 -2.996 1 1 1924 . 5 1 1 A 171 171 GLY H H 177 8.854 9.140 -0.286 1 1 1925 . 5 1 1 A 171 171 GLY HA2 H 177 5.205 4.048 1.157 1 1 1926 . 5 1 1 A 171 171 GLY HA3 H 177 3.526 4.092 -0.566 1 1 1927 . 5 1 1 A 171 171 GLY C C 177 170.842 172.598 -1.756 1 1 1928 . 5 1 1 A 171 171 GLY CA C 177 44.621 45.938 -1.317 1 1 1929 . 5 1 1 A 171 171 GLY N N 177 110.189 112.952 -2.763 1 1 1930 . 5 1 1 A 172 172 ASN H H 178 7.637 8.598 -0.961 1 1 1931 . 5 1 1 A 172 172 ASN HA H 178 4.224 5.126 -0.902 1 1 1936 . 5 1 1 A 172 172 ASN C C 178 171.546 174.199 -2.653 1 1 1937 . 5 1 1 A 172 172 ASN CA C 178 53.729 51.016 2.713 1 1 1938 . 5 1 1 A 172 172 ASN CB C 178 41.543 40.683 0.860 1 1 1939 . 5 1 1 A 172 172 ASN N N 178 112.667 124.369 -11.702 1 1 1941 . 5 1 1 A 173 173 GLY H H 179 9.103 8.207 0.896 1 1 1942 . 5 1 1 A 173 173 GLY HA2 H 179 4.491 3.478 1.013 1 1 1943 . 5 1 1 A 173 173 GLY HA3 H 179 4.084 4.112 -0.028 1 1 1944 . 5 1 1 A 173 173 GLY C C 179 172.400 171.656 0.744 1 1 1945 . 5 1 1 A 173 173 GLY CA C 179 47.199 45.721 1.478 1 1 1946 . 5 1 1 A 173 173 GLY N N 179 106.686 108.515 -1.829 1 1 1947 . 5 1 1 A 174 174 LYS H H 180 9.179 8.748 0.431 1 1 1948 . 5 1 1 A 174 174 LYS HA H 180 4.821 4.913 -0.092 1 1 1957 . 5 1 1 A 174 174 LYS C C 180 172.518 174.458 -1.940 1 1 1958 . 5 1 1 A 174 174 LYS CA C 180 56.617 55.230 1.387 1 1 1959 . 5 1 1 A 174 174 LYS CB C 180 35.373 35.042 0.331 1 1 1963 . 5 1 1 A 174 174 LYS N N 180 121.816 116.558 5.258 1 1 1964 . 5 1 1 A 175 175 ILE H H 181 8.351 8.814 -0.463 1 1 1965 . 5 1 1 A 175 175 ILE HA H 181 4.581 4.958 -0.377 1 1 1973 . 5 1 1 A 175 175 ILE C C 181 173.997 175.274 -1.277 1 1 1974 . 5 1 1 A 175 175 ILE CA C 181 60.490 59.671 0.819 1 1 1975 . 5 1 1 A 175 175 ILE CB C 181 39.573 39.355 0.218 1 1 1978 . 5 1 1 A 175 175 ILE N N 181 123.400 122.536 0.864 1 1 1979 . 5 1 1 A 176 176 GLU H H 182 8.492 8.736 -0.244 1 1 1980 . 5 1 1 A 176 176 GLU HA H 182 4.471 4.901 -0.430 1 1 1985 . 5 1 1 A 176 176 GLU C C 182 175.392 175.135 0.257 1 1 1986 . 5 1 1 A 176 176 GLU CA C 182 53.410 56.047 -2.637 1 1 1987 . 5 1 1 A 176 176 GLU CB C 182 35.479 32.564 2.915 1 1 1989 . 5 1 1 A 176 176 GLU N N 182 122.287 125.369 -3.082 1 1 1990 . 5 1 1 A 177 177 HIS H H 183 8.431 8.239 0.192 1 1 1991 . 5 1 1 A 177 177 HIS HA H 183 3.975 4.662 -0.687 1 1 1996 . 5 1 1 A 177 177 HIS C C 183 176.008 174.991 1.017 1 1 1997 . 5 1 1 A 177 177 HIS CA C 183 57.533 55.994 1.539 1 1 1998 . 5 1 1 A 177 177 HIS CB C 183 27.362 32.620 -5.258 1 1 1999 . 5 1 1 A 177 177 HIS N N 183 109.605 125.659 -16.054 1 1 2000 . 5 1 1 A 178 178 LEU H H 184 9.603 7.790 1.813 1 1 2001 . 5 1 1 A 178 178 LEU HA H 184 4.276 4.189 0.087 1 1 2011 . 5 1 1 A 178 178 LEU C C 184 178.805 178.060 0.745 1 1 2012 . 5 1 1 A 178 178 LEU CA C 184 56.034 54.690 1.344 1 1 2013 . 5 1 1 A 178 178 LEU CB C 184 39.882 42.067 -2.185 1 1 2017 . 5 1 1 A 178 178 LEU N N 184 124.374 121.285 3.089 1 1 2018 . 5 1 1 A 179 179 LYS H H 185 10.002 8.789 1.213 1 1 2019 . 5 1 1 A 179 179 LYS HA H 185 3.682 4.061 -0.379 1 1 2028 . 5 1 1 A 179 179 LYS C C 185 177.660 176.535 1.125 1 1 2029 . 5 1 1 A 179 179 LYS CA C 185 57.721 58.882 -1.161 1 1 2030 . 5 1 1 A 179 179 LYS CB C 185 31.949 32.124 -0.175 1 1 2034 . 5 1 1 A 179 179 LYS N N 185 122.880 121.350 1.530 1 1 2035 . 5 1 1 A 180 180 SER H H 186 7.262 7.729 -0.467 1 1 2036 . 5 1 1 A 180 180 SER HA H 186 4.672 4.969 -0.297 1 1 2039 . 5 1 1 A 180 180 SER C C 186 173.086 173.642 -0.556 1 1 2040 . 5 1 1 A 180 180 SER CA C 186 54.576 55.198 -0.622 1 1 2041 . 5 1 1 A 180 180 SER CB C 186 62.715 65.495 -2.780 1 1 2042 . 5 1 1 A 180 180 SER N N 186 115.187 112.463 2.724 1 1 2043 . 5 1 1 A 181 181 PRO HA H 187 3.956 4.415 -0.459 1 1 2050 . 5 1 1 A 181 181 PRO CA C 187 65.359 64.930 0.429 1 1 2051 . 5 1 1 A 181 181 PRO CB C 187 32.061 31.998 0.063 1 1 2054 . 5 1 1 A 182 182 GLU H H 188 8.076 8.428 -0.352 1 1 2055 . 5 1 1 A 182 182 GLU HA H 188 3.011 4.283 -1.272 1 1 2060 . 5 1 1 A 182 182 GLU C C 188 173.944 177.280 -3.336 1 1 2061 . 5 1 1 A 182 182 GLU CA C 188 56.597 56.999 -0.402 1 1 2062 . 5 1 1 A 182 182 GLU CB C 188 29.581 29.320 0.261 1 1 2064 . 5 1 1 A 182 182 GLU N N 188 113.034 115.939 -2.905 1 1 2065 . 5 1 1 A 183 183 LEU H H 189 7.126 7.652 -0.526 1 1 2066 . 5 1 1 A 183 183 LEU HA H 189 3.970 4.327 -0.357 1 1 2076 . 5 1 1 A 183 183 LEU C C 189 175.597 176.895 -1.298 1 1 2077 . 5 1 1 A 183 183 LEU CA C 189 53.849 54.706 -0.857 1 1 2078 . 5 1 1 A 183 183 LEU CB C 189 41.152 42.452 -1.300 1 1 2082 . 5 1 1 A 183 183 LEU N N 189 112.896 117.705 -4.809 1 1 2083 . 5 1 1 A 184 184 ASN H H 190 6.952 7.679 -0.727 1 1 2084 . 5 1 1 A 184 184 ASN HA H 190 4.596 4.675 -0.079 1 1 2089 . 5 1 1 A 184 184 ASN C C 190 175.694 175.074 0.620 1 1 2090 . 5 1 1 A 184 184 ASN CA C 190 53.200 53.766 -0.566 1 1 2091 . 5 1 1 A 184 184 ASN CB C 190 36.466 38.826 -2.360 1 1 2092 . 5 1 1 A 184 184 ASN N N 190 117.865 117.483 0.382 1 1 2094 . 5 1 1 A 185 185 VAL H H 191 7.178 8.797 -1.619 1 1 2095 . 5 1 1 A 185 185 VAL HA H 191 4.480 4.840 -0.360 1 1 2103 . 5 1 1 A 185 185 VAL C C 191 174.874 175.279 -0.405 1 1 2104 . 5 1 1 A 185 185 VAL CA C 191 59.753 59.016 0.737 1 1 2105 . 5 1 1 A 185 185 VAL CB C 191 33.035 34.872 -1.837 1 1 2108 . 5 1 1 A 185 185 VAL N N 191 113.276 117.643 -4.367 1 1 2109 . 5 1 1 A 186 186 ASP H H 192 8.827 8.533 0.294 1 1 2110 . 5 1 1 A 186 186 ASP HA H 192 4.779 4.762 0.017 1 1 2113 . 5 1 1 A 186 186 ASP C C 192 174.919 175.272 -0.353 1 1 2114 . 5 1 1 A 186 186 ASP CA C 192 54.058 54.421 -0.363 1 1 2115 . 5 1 1 A 186 186 ASP CB C 192 41.635 41.806 -0.171 1 1 2116 . 5 1 1 A 186 186 ASP N N 192 118.111 122.216 -4.105 1 1 2117 . 5 1 1 A 187 187 LEU H H 193 8.375 8.639 -0.264 1 1 2118 . 5 1 1 A 187 187 LEU HA H 193 4.146 5.185 -1.039 1 1 2127 . 5 1 1 A 187 187 LEU CA C 193 52.331 53.265 -0.934 1 1 2128 . 5 1 1 A 187 187 LEU CB C 193 38.187 45.517 -7.330 1 1 2131 . 5 1 1 A 187 187 LEU N N 193 123.130 123.254 -0.124 1 1 2132 . 5 1 1 A 188 188 ALA H H 194 8.225 8.581 -0.356 1 1 2133 . 5 1 1 A 188 188 ALA HA H 194 4.098 4.571 -0.473 1 1 2137 . 5 1 1 A 188 188 ALA C C 194 176.239 176.993 -0.754 1 1 2138 . 5 1 1 A 188 188 ALA CA C 194 52.498 51.499 0.999 1 1 2139 . 5 1 1 A 188 188 ALA CB C 194 20.030 18.995 1.035 1 1 2140 . 5 1 1 A 188 188 ALA N N 194 126.289 128.434 -2.145 1 1 2141 . 5 1 1 A 189 189 ALA H H 195 8.275 7.856 0.419 1 1 2142 . 5 1 1 A 189 189 ALA HA H 195 4.862 4.284 0.578 1 1 2146 . 5 1 1 A 189 189 ALA C C 195 178.131 178.054 0.077 1 1 2147 . 5 1 1 A 189 189 ALA CA C 195 51.822 53.238 -1.416 1 1 2148 . 5 1 1 A 189 189 ALA CB C 195 17.367 19.061 -1.694 1 1 2149 . 5 1 1 A 189 189 ALA N N 195 122.010 125.871 -3.861 1 1 2150 . 5 1 1 A 190 190 ALA H H 196 8.823 8.756 0.067 1 1 2151 . 5 1 1 A 190 190 ALA HA H 196 4.634 5.115 -0.481 1 1 2155 . 5 1 1 A 190 190 ALA C C 196 175.141 175.372 -0.231 1 1 2156 . 5 1 1 A 190 190 ALA CA C 196 50.420 50.252 0.168 1 1 2157 . 5 1 1 A 190 190 ALA CB C 196 23.461 23.587 -0.126 1 1 2158 . 5 1 1 A 190 190 ALA N N 196 126.018 124.241 1.777 1 1 2159 . 5 1 1 A 191 191 ASP H H 197 8.365 8.797 -0.432 1 1 2160 . 5 1 1 A 191 191 ASP HA H 197 5.160 5.426 -0.266 1 1 2163 . 5 1 1 A 191 191 ASP C C 197 176.028 175.084 0.944 1 1 2164 . 5 1 1 A 191 191 ASP CA C 197 54.034 52.794 1.240 1 1 2165 . 5 1 1 A 191 191 ASP CB C 197 41.691 42.807 -1.116 1 1 2166 . 5 1 1 A 191 191 ASP N N 197 118.646 119.040 -0.394 1 1 2167 . 5 1 1 A 192 192 ILE H H 198 7.915 8.086 -0.171 1 1 2168 . 5 1 1 A 192 192 ILE HA H 198 4.315 4.333 -0.018 1 1 2178 . 5 1 1 A 192 192 ILE C C 198 174.684 176.389 -1.705 1 1 2179 . 5 1 1 A 192 192 ILE CA C 198 60.951 61.809 -0.858 1 1 2180 . 5 1 1 A 192 192 ILE CB C 198 41.989 39.301 2.688 1 1 2184 . 5 1 1 A 192 192 ILE N N 198 119.664 123.934 -4.270 1 1 2185 . 5 1 1 A 193 193 LYS H H 199 9.175 8.578 0.597 1 1 2186 . 5 1 1 A 193 193 LYS HA H 199 4.530 4.305 0.225 1 1 2195 . 5 1 1 A 193 193 LYS C C 199 172.639 176.423 -3.784 1 1 2196 . 5 1 1 A 193 193 LYS CA C 199 53.361 54.810 -1.449 1 1 2197 . 5 1 1 A 193 193 LYS CB C 199 34.758 31.642 3.116 1 1 2201 . 5 1 1 A 193 193 LYS N N 199 127.122 128.275 -1.153 1 1 2202 . 5 1 1 A 195 195 ASP H H 201 8.390 7.666 0.724 1 1 2203 . 5 1 1 A 195 195 ASP HA H 201 4.550 4.971 -0.421 1 1 2206 . 5 1 1 A 195 195 ASP C C 201 179.300 175.520 3.780 1 1 2207 . 5 1 1 A 195 195 ASP CA C 201 51.354 53.006 -1.652 1 1 2208 . 5 1 1 A 195 195 ASP CB C 201 40.324 44.199 -3.875 1 1 2209 . 5 1 1 A 195 195 ASP N N 201 123.239 120.583 2.656 1 1 2210 . 5 1 1 A 196 196 GLY HA2 H 202 3.718 3.802 -0.084 1 1 2211 . 5 1 1 A 196 196 GLY HA3 H 202 3.437 3.918 -0.481 1 1 2212 . 5 1 1 A 196 196 GLY CA C 202 46.527 46.364 0.163 1 1 2213 . 5 1 1 A 197 197 LYS H H 203 7.740 8.041 -0.301 1 1 2214 . 5 1 1 A 197 197 LYS HA H 203 4.118 4.151 -0.033 1 1 2221 . 5 1 1 A 197 197 LYS C C 203 174.941 177.059 -2.118 1 1 2222 . 5 1 1 A 197 197 LYS CA C 203 55.054 59.086 -4.032 1 1 2223 . 5 1 1 A 197 197 LYS CB C 203 31.192 32.051 -0.859 1 1 2226 . 5 1 1 A 197 197 LYS N N 203 120.305 120.030 0.275 1 1 2227 . 5 1 1 A 198 198 ARG H H 204 8.059 8.063 -0.004 1 1 2228 . 5 1 1 A 198 198 ARG HA H 204 3.441 4.591 -1.150 1 1 2235 . 5 1 1 A 198 198 ARG C C 204 175.152 175.700 -0.548 1 1 2236 . 5 1 1 A 198 198 ARG CA C 204 56.911 56.675 0.236 1 1 2237 . 5 1 1 A 198 198 ARG CB C 204 26.584 30.556 -3.972 1 1 2240 . 5 1 1 A 198 198 ARG N N 204 111.796 117.313 -5.517 1 1 2241 . 5 1 1 A 199 199 HIS H H 205 8.531 7.819 0.712 1 1 2242 . 5 1 1 A 199 199 HIS HA H 205 4.812 4.760 0.052 1 1 2247 . 5 1 1 A 199 199 HIS C C 205 174.866 173.214 1.652 1 1 2248 . 5 1 1 A 199 199 HIS CA C 205 53.700 55.856 -2.156 1 1 2249 . 5 1 1 A 199 199 HIS CB C 205 27.838 30.908 -3.070 1 1 2250 . 5 1 1 A 199 199 HIS N N 205 120.255 119.048 1.207 1 1 2251 . 5 1 1 A 200 200 ALA H H 206 8.492 8.660 -0.168 1 1 2252 . 5 1 1 A 200 200 ALA HA H 206 4.615 4.420 0.195 1 1 2256 . 5 1 1 A 200 200 ALA C C 206 175.840 176.695 -0.855 1 1 2257 . 5 1 1 A 200 200 ALA CA C 206 52.247 51.257 0.990 1 1 2258 . 5 1 1 A 200 200 ALA CB C 206 19.838 19.463 0.375 1 1 2259 . 5 1 1 A 200 200 ALA N N 206 123.237 128.841 -5.604 1 1 2260 . 5 1 1 A 201 201 VAL H H 207 9.174 8.229 0.945 1 1 2261 . 5 1 1 A 201 201 VAL HA H 207 4.976 4.482 0.494 1 1 2269 . 5 1 1 A 201 201 VAL C C 207 173.390 174.621 -1.231 1 1 2270 . 5 1 1 A 201 201 VAL CA C 207 60.775 60.835 -0.060 1 1 2271 . 5 1 1 A 201 201 VAL CB C 207 35.488 34.092 1.396 1 1 2274 . 5 1 1 A 201 201 VAL N N 207 123.250 120.075 3.175 1 1 2275 . 5 1 1 A 202 202 ILE H H 208 8.887 8.481 0.406 1 1 2276 . 5 1 1 A 202 202 ILE HA H 208 4.312 4.797 -0.485 1 1 2286 . 5 1 1 A 202 202 ILE C C 208 174.670 174.790 -0.120 1 1 2287 . 5 1 1 A 202 202 ILE CA C 208 60.815 59.744 1.071 1 1 2288 . 5 1 1 A 202 202 ILE CB C 208 41.576 40.129 1.447 1 1 2292 . 5 1 1 A 202 202 ILE N N 208 122.699 127.651 -4.952 1 1 2293 . 5 1 1 A 203 203 SER H H 209 8.416 8.734 -0.318 1 1 2294 . 5 1 1 A 203 203 SER HA H 209 4.913 4.896 0.017 1 1 2297 . 5 1 1 A 203 203 SER C C 209 172.984 173.395 -0.411 1 1 2298 . 5 1 1 A 203 203 SER CA C 209 55.676 57.536 -1.860 1 1 2299 . 5 1 1 A 203 203 SER CB C 209 64.355 64.716 -0.361 1 1 2300 . 5 1 1 A 203 203 SER N N 209 122.067 125.243 -3.176 1 1 2301 . 5 1 1 A 204 204 GLY H H 210 7.292 7.970 -0.678 1 1 2302 . 5 1 1 A 204 204 GLY HA2 H 210 4.432 3.866 0.566 1 1 2303 . 5 1 1 A 204 204 GLY HA3 H 210 3.352 4.187 -0.835 1 1 2304 . 5 1 1 A 204 204 GLY C C 210 172.482 172.223 0.259 1 1 2305 . 5 1 1 A 204 204 GLY CA C 210 45.167 44.785 0.382 1 1 2306 . 5 1 1 A 204 204 GLY N N 210 110.488 112.750 -2.262 1 1 2307 . 5 1 1 A 205 205 SER H H 211 8.652 8.880 -0.228 1 1 2308 . 5 1 1 A 205 205 SER HA H 211 5.027 5.510 -0.483 1 1 2311 . 5 1 1 A 205 205 SER C C 211 172.852 173.283 -0.431 1 1 2312 . 5 1 1 A 205 205 SER CA C 211 58.806 57.604 1.202 1 1 2313 . 5 1 1 A 205 205 SER CB C 211 64.384 66.300 -1.916 1 1 2314 . 5 1 1 A 205 205 SER N N 211 116.497 116.778 -0.281 1 1 2315 . 5 1 1 A 206 206 VAL H H 212 7.400 9.202 -1.802 1 1 2316 . 5 1 1 A 206 206 VAL HA H 212 5.032 4.755 0.277 1 1 2324 . 5 1 1 A 206 206 VAL C C 212 174.500 174.133 0.367 1 1 2325 . 5 1 1 A 206 206 VAL CA C 212 58.764 61.171 -2.407 1 1 2326 . 5 1 1 A 206 206 VAL CB C 212 30.512 34.844 -4.332 1 1 2329 . 5 1 1 A 206 206 VAL N N 212 117.101 124.519 -7.418 1 1 2330 . 5 1 1 A 207 207 LEU H H 213 8.961 8.761 0.200 1 1 2331 . 5 1 1 A 207 207 LEU HA H 213 5.312 4.930 0.382 1 1 2341 . 5 1 1 A 207 207 LEU C C 213 175.520 174.359 1.161 1 1 2342 . 5 1 1 A 207 207 LEU CA C 213 52.630 53.675 -1.045 1 1 2343 . 5 1 1 A 207 207 LEU CB C 213 45.567 44.123 1.444 1 1 2347 . 5 1 1 A 207 207 LEU N N 213 124.185 130.113 -5.928 1 1 2348 . 5 1 1 A 208 208 TYR H H 214 8.836 8.749 0.087 1 1 2349 . 5 1 1 A 208 208 TYR HA H 214 4.766 4.702 0.064 1 1 2356 . 5 1 1 A 208 208 TYR C C 214 175.964 175.310 0.654 1 1 2357 . 5 1 1 A 208 208 TYR CA C 214 56.943 57.796 -0.853 1 1 2358 . 5 1 1 A 208 208 TYR CB C 214 41.736 40.613 1.123 1 1 2359 . 5 1 1 A 208 208 TYR N N 214 120.202 127.906 -7.704 1 1 2360 . 5 1 1 A 209 209 ASN H H 215 9.292 9.169 0.123 1 1 2361 . 5 1 1 A 209 209 ASN HA H 215 4.001 4.282 -0.281 1 1 2366 . 5 1 1 A 209 209 ASN C C 215 174.336 174.280 0.056 1 1 2367 . 5 1 1 A 209 209 ASN CA C 215 53.923 54.135 -0.212 1 1 2368 . 5 1 1 A 209 209 ASN CB C 215 36.468 37.106 -0.638 1 1 2369 . 5 1 1 A 209 209 ASN N N 215 129.805 125.801 4.004 1 1 2371 . 5 1 1 A 210 210 GLN H H 216 8.614 8.507 0.107 1 1 2372 . 5 1 1 A 210 210 GLN HA H 216 3.453 3.877 -0.424 1 1 2379 . 5 1 1 A 210 210 GLN C C 216 173.521 174.589 -1.068 1 1 2380 . 5 1 1 A 210 210 GLN CA C 216 57.881 57.286 0.595 1 1 2381 . 5 1 1 A 210 210 GLN CB C 216 26.089 27.035 -0.946 1 1 2383 . 5 1 1 A 210 210 GLN N N 216 106.396 109.546 -3.150 1 1 2385 . 5 1 1 A 211 211 ALA H H 217 7.657 7.584 0.073 1 1 2386 . 5 1 1 A 211 211 ALA HA H 217 4.608 4.565 0.043 1 1 2390 . 5 1 1 A 211 211 ALA C C 217 176.432 176.892 -0.460 1 1 2391 . 5 1 1 A 211 211 ALA CA C 217 50.786 50.987 -0.201 1 1 2392 . 5 1 1 A 211 211 ALA CB C 217 20.499 20.868 -0.369 1 1 2393 . 5 1 1 A 211 211 ALA N N 217 123.338 118.726 4.612 1 1 2394 . 5 1 1 A 212 212 GLU H H 218 8.712 8.763 -0.051 1 1 2395 . 5 1 1 A 212 212 GLU HA H 218 4.525 4.234 0.291 1 1 2400 . 5 1 1 A 212 212 GLU C C 218 177.924 174.852 3.072 1 1 2401 . 5 1 1 A 212 212 GLU CA C 218 57.550 58.424 -0.874 1 1 2402 . 5 1 1 A 212 212 GLU CB C 218 28.811 28.876 -0.065 1 1 2404 . 5 1 1 A 212 212 GLU N N 218 122.631 116.825 5.806 1 1 2405 . 5 1 1 A 213 213 LYS H H 219 8.835 8.338 0.497 1 1 2406 . 5 1 1 A 213 213 LYS HA H 219 4.612 4.704 -0.092 1 1 2415 . 5 1 1 A 213 213 LYS C C 219 173.786 175.370 -1.584 1 1 2416 . 5 1 1 A 213 213 LYS CA C 219 53.115 55.660 -2.545 1 1 2417 . 5 1 1 A 213 213 LYS CB C 219 34.180 34.395 -0.215 1 1 2421 . 5 1 1 A 213 213 LYS N N 219 126.870 122.013 4.857 1 1 2422 . 5 1 1 A 214 214 GLY H H 220 7.929 9.259 -1.330 1 1 2423 . 5 1 1 A 214 214 GLY HA2 H 220 5.469 4.129 1.340 1 1 2424 . 5 1 1 A 214 214 GLY HA3 H 220 3.719 4.131 -0.412 1 1 2425 . 5 1 1 A 214 214 GLY C C 220 173.926 172.430 1.496 1 1 2426 . 5 1 1 A 214 214 GLY CA C 220 44.536 43.992 0.544 1 1 2427 . 5 1 1 A 214 214 GLY N N 220 107.019 114.227 -7.208 1 1 2428 . 5 1 1 A 215 215 SER H H 221 8.678 8.524 0.154 1 1 2429 . 5 1 1 A 215 215 SER HA H 221 5.460 5.600 -0.140 1 1 2432 . 5 1 1 A 215 215 SER C C 221 171.043 172.813 -1.770 1 1 2433 . 5 1 1 A 215 215 SER CA C 221 56.810 56.899 -0.089 1 1 2434 . 5 1 1 A 215 215 SER CB C 221 66.671 66.237 0.434 1 1 2435 . 5 1 1 A 215 215 SER N N 221 117.334 114.475 2.859 1 1 2436 . 5 1 1 A 216 216 TYR H H 222 8.958 9.128 -0.170 1 1 2437 . 5 1 1 A 216 216 TYR HA H 222 5.389 5.833 -0.444 1 1 2445 . 5 1 1 A 216 216 TYR C C 222 172.789 173.078 -0.289 1 1 2446 . 5 1 1 A 216 216 TYR CA C 222 55.819 55.356 0.463 1 1 2447 . 5 1 1 A 216 216 TYR CB C 222 41.681 42.374 -0.693 1 1 2448 . 5 1 1 A 216 216 TYR N N 222 117.645 120.591 -2.946 1 1 2449 . 5 1 1 A 217 217 SER H H 223 8.837 9.264 -0.427 1 1 2450 . 5 1 1 A 217 217 SER HA H 223 5.165 5.211 -0.046 1 1 2453 . 5 1 1 A 217 217 SER C C 223 173.125 172.793 0.332 1 1 2454 . 5 1 1 A 217 217 SER CA C 223 56.600 56.531 0.069 1 1 2455 . 5 1 1 A 217 217 SER CB C 223 64.500 65.054 -0.554 1 1 2456 . 5 1 1 A 217 217 SER N N 223 115.593 116.393 -0.800 1 1 2457 . 5 1 1 A 218 218 LEU H H 224 9.299 8.293 1.006 1 1 2458 . 5 1 1 A 218 218 LEU HA H 224 4.748 4.955 -0.207 1 1 2468 . 5 1 1 A 218 218 LEU C C 224 175.567 174.950 0.617 1 1 2469 . 5 1 1 A 218 218 LEU CA C 224 53.138 53.626 -0.488 1 1 2470 . 5 1 1 A 218 218 LEU CB C 224 46.255 45.432 0.823 1 1 2474 . 5 1 1 A 218 218 LEU N N 224 123.523 121.720 1.803 1 1 2475 . 5 1 1 A 219 219 GLY H H 225 9.041 8.292 0.749 1 1 2476 . 5 1 1 A 219 219 GLY HA2 H 225 4.620 3.787 0.833 1 1 2477 . 5 1 1 A 219 219 GLY HA3 H 225 3.413 3.940 -0.527 1 1 2478 . 5 1 1 A 219 219 GLY C C 225 171.514 171.245 0.269 1 1 2479 . 5 1 1 A 219 219 GLY CA C 225 43.777 43.238 0.539 1 1 2480 . 5 1 1 A 219 219 GLY N N 225 108.999 106.241 2.758 1 1 2481 . 5 1 1 A 220 220 ILE H H 226 6.853 8.051 -1.198 1 1 2482 . 5 1 1 A 220 220 ILE HA H 226 4.615 4.415 0.200 1 1 2492 . 5 1 1 A 220 220 ILE C C 226 174.750 174.951 -0.201 1 1 2493 . 5 1 1 A 220 220 ILE CA C 226 60.421 60.070 0.351 1 1 2494 . 5 1 1 A 220 220 ILE CB C 226 38.213 38.541 -0.328 1 1 2498 . 5 1 1 A 220 220 ILE N N 226 120.223 121.705 -1.482 1 1 2499 . 5 1 1 A 221 221 PHE H H 227 9.392 8.657 0.735 1 1 2500 . 5 1 1 A 221 221 PHE HA H 227 4.770 5.240 -0.470 1 1 2507 . 5 1 1 A 221 221 PHE C C 227 175.093 175.514 -0.421 1 1 2508 . 5 1 1 A 221 221 PHE CA C 227 58.053 56.547 1.506 1 1 2509 . 5 1 1 A 221 221 PHE CB C 227 42.505 42.373 0.132 1 1 2510 . 5 1 1 A 221 221 PHE N N 227 128.229 126.204 2.025 1 1 2511 . 5 1 1 A 222 222 GLY H H 228 8.675 8.775 -0.100 1 1 2512 . 5 1 1 A 222 222 GLY HA2 H 228 3.174 4.017 -0.843 1 1 2513 . 5 1 1 A 222 222 GLY HA3 H 228 4.311 4.127 0.184 1 1 2514 . 5 1 1 A 222 222 GLY CA C 228 42.438 44.714 -2.276 1 1 2515 . 5 1 1 A 222 222 GLY N N 228 104.634 110.493 -5.859 1 1 2516 . 5 1 1 A 223 223 GLY CA C 229 46.870 46.763 0.107 1 1 2517 . 5 1 1 A 224 224 LYS H H 230 8.366 7.633 0.733 1 1 2518 . 5 1 1 A 224 224 LYS HA H 230 4.305 4.529 -0.224 1 1 2523 . 5 1 1 A 224 224 LYS C C 230 174.717 175.480 -0.763 1 1 2524 . 5 1 1 A 224 224 LYS CA C 230 54.119 54.661 -0.542 1 1 2525 . 5 1 1 A 224 224 LYS CB C 230 30.821 32.506 -1.685 1 1 2527 . 5 1 1 A 224 224 LYS N N 230 118.720 118.240 0.480 1 1 2528 . 5 1 1 A 225 225 ALA H H 231 7.633 8.074 -0.441 1 1 2529 . 5 1 1 A 225 225 ALA HA H 231 3.810 4.354 -0.544 1 1 2533 . 5 1 1 A 225 225 ALA C C 231 176.702 177.457 -0.755 1 1 2534 . 5 1 1 A 225 225 ALA CA C 231 51.868 53.183 -1.315 1 1 2535 . 5 1 1 A 225 225 ALA CB C 231 16.117 17.397 -1.280 1 1 2536 . 5 1 1 A 225 225 ALA N N 231 118.077 119.966 -1.889 1 1 2537 . 5 1 1 A 226 226 GLN H H 232 9.387 7.891 1.496 1 1 2538 . 5 1 1 A 226 226 GLN HA H 232 3.877 4.373 -0.496 1 1 2543 . 5 1 1 A 226 226 GLN C C 232 175.992 175.782 0.210 1 1 2544 . 5 1 1 A 226 226 GLN CA C 232 60.989 57.435 3.554 1 1 2545 . 5 1 1 A 226 226 GLN CB C 232 28.695 30.586 -1.891 1 1 2547 . 5 1 1 A 226 226 GLN N N 232 117.991 118.064 -0.073 1 1 2548 . 5 1 1 A 227 227 GLU H H 233 8.825 7.433 1.392 1 1 2549 . 5 1 1 A 227 227 GLU HA H 233 5.411 4.646 0.765 1 1 2554 . 5 1 1 A 227 227 GLU C C 233 174.939 174.066 0.873 1 1 2555 . 5 1 1 A 227 227 GLU CA C 233 54.289 55.392 -1.103 1 1 2556 . 5 1 1 A 227 227 GLU CB C 233 33.797 32.859 0.938 1 1 2558 . 5 1 1 A 227 227 GLU N N 233 116.638 115.230 1.408 1 1 2559 . 5 1 1 A 228 228 VAL H H 234 8.343 8.458 -0.115 1 1 2560 . 5 1 1 A 228 228 VAL HA H 234 5.544 4.829 0.715 1 1 2568 . 5 1 1 A 228 228 VAL C C 234 174.839 174.397 0.442 1 1 2569 . 5 1 1 A 228 228 VAL CA C 234 57.867 59.941 -2.074 1 1 2570 . 5 1 1 A 228 228 VAL CB C 234 35.379 34.943 0.436 1 1 2573 . 5 1 1 A 228 228 VAL N N 234 109.304 117.100 -7.796 1 1 2574 . 5 1 1 A 229 229 ALA H H 235 8.475 8.924 -0.449 1 1 2575 . 5 1 1 A 229 229 ALA HA H 235 4.937 5.160 -0.223 1 1 2579 . 5 1 1 A 229 229 ALA C C 235 176.417 175.972 0.445 1 1 2580 . 5 1 1 A 229 229 ALA CA C 235 51.303 51.271 0.032 1 1 2581 . 5 1 1 A 229 229 ALA CB C 235 20.301 23.731 -3.430 1 1 2582 . 5 1 1 A 229 229 ALA N N 235 120.653 125.119 -4.466 1 1 2583 . 5 1 1 A 230 230 GLY H H 236 9.361 7.905 1.456 1 1 2584 . 5 1 1 A 230 230 GLY HA2 H 236 5.075 4.257 0.818 1 1 2585 . 5 1 1 A 230 230 GLY HA3 H 236 4.017 4.287 -0.270 1 1 2586 . 5 1 1 A 230 230 GLY C C 236 170.130 171.341 -1.211 1 1 2587 . 5 1 1 A 230 230 GLY CA C 236 46.221 45.971 0.250 1 1 2588 . 5 1 1 A 230 230 GLY N N 236 111.104 106.389 4.715 1 1 2589 . 5 1 1 A 231 231 SER H H 237 8.889 8.700 0.189 1 1 2590 . 5 1 1 A 231 231 SER HA H 237 5.276 5.113 0.163 1 1 2593 . 5 1 1 A 231 231 SER C C 237 171.360 172.461 -1.101 1 1 2594 . 5 1 1 A 231 231 SER CA C 237 56.498 57.652 -1.154 1 1 2595 . 5 1 1 A 231 231 SER CB C 237 66.398 65.297 1.101 1 1 2596 . 5 1 1 A 231 231 SER N N 237 115.308 115.540 -0.232 1 1 2597 . 5 1 1 A 232 232 ALA H H 238 9.083 9.008 0.075 1 1 2598 . 5 1 1 A 232 232 ALA HA H 238 5.148 5.600 -0.452 1 1 2602 . 5 1 1 A 232 232 ALA C C 238 174.537 175.582 -1.045 1 1 2603 . 5 1 1 A 232 232 ALA CA C 238 49.904 50.498 -0.594 1 1 2604 . 5 1 1 A 232 232 ALA CB C 238 21.729 22.813 -1.084 1 1 2605 . 5 1 1 A 232 232 ALA N N 238 119.911 124.817 -4.906 1 1 2606 . 5 1 1 A 233 233 GLU H H 239 9.015 9.009 0.006 1 1 2607 . 5 1 1 A 233 233 GLU HA H 239 4.631 5.070 -0.439 1 1 2612 . 5 1 1 A 233 233 GLU C C 239 174.122 174.911 -0.789 1 1 2613 . 5 1 1 A 233 233 GLU CA C 239 54.786 54.505 0.281 1 1 2614 . 5 1 1 A 233 233 GLU CB C 239 31.355 33.111 -1.756 1 1 2616 . 5 1 1 A 233 233 GLU N N 239 122.744 121.552 1.192 1 1 2617 . 5 1 1 A 234 234 VAL H H 240 8.792 8.984 -0.192 1 1 2618 . 5 1 1 A 234 234 VAL HA H 240 4.394 4.794 -0.400 1 1 2623 . 5 1 1 A 234 234 VAL C C 240 174.833 173.409 1.424 1 1 2624 . 5 1 1 A 234 234 VAL CA C 240 61.427 59.294 2.133 1 1 2625 . 5 1 1 A 234 234 VAL CB C 240 33.863 34.613 -0.750 1 1 2627 . 5 1 1 A 234 234 VAL N N 240 124.203 121.482 2.721 1 1 2628 . 5 1 1 A 235 235 LYS H H 241 8.841 8.568 0.273 1 1 2629 . 5 1 1 A 235 235 LYS HA H 241 3.981 4.604 -0.623 1 1 2638 . 5 1 1 A 235 235 LYS C C 241 174.548 175.240 -0.692 1 1 2639 . 5 1 1 A 235 235 LYS CA C 241 55.955 55.096 0.859 1 1 2640 . 5 1 1 A 235 235 LYS CB C 241 32.100 32.282 -0.182 1 1 2644 . 5 1 1 A 235 235 LYS N N 241 127.554 128.226 -0.672 1 1 2645 . 5 1 1 A 236 236 THR H H 242 7.212 8.469 -1.257 1 1 2646 . 5 1 1 A 236 236 THR HA H 242 4.355 4.603 -0.248 1 1 2651 . 5 1 1 A 236 236 THR C C 242 176.482 176.329 0.153 1 1 2652 . 5 1 1 A 236 236 THR CA C 242 61.054 61.566 -0.512 1 1 2653 . 5 1 1 A 236 236 THR CB C 242 72.642 70.077 2.565 1 1 2655 . 5 1 1 A 236 236 THR N N 242 114.463 119.829 -5.366 1 1 2656 . 5 1 1 A 237 237 VAL H H 243 9.582 9.071 0.511 1 1 2657 . 5 1 1 A 237 237 VAL HA H 243 3.849 3.817 0.032 1 1 2665 . 5 1 1 A 237 237 VAL C C 243 176.201 176.650 -0.449 1 1 2666 . 5 1 1 A 237 237 VAL CA C 243 64.701 64.998 -0.297 1 1 2667 . 5 1 1 A 237 237 VAL CB C 243 31.028 31.387 -0.359 1 1 2669 . 5 1 1 A 237 237 VAL N N 243 120.670 123.859 -3.189 1 1 2670 . 5 1 1 A 238 238 ASN H H 244 7.572 7.916 -0.344 1 1 2671 . 5 1 1 A 238 238 ASN HA H 244 4.882 4.839 0.043 1 1 2676 . 5 1 1 A 238 238 ASN C C 244 173.835 175.464 -1.629 1 1 2677 . 5 1 1 A 238 238 ASN CA C 244 52.022 53.143 -1.121 1 1 2678 . 5 1 1 A 238 238 ASN CB C 244 39.176 38.974 0.202 1 1 2679 . 5 1 1 A 238 238 ASN N N 244 115.638 118.298 -2.660 1 1 2681 . 5 1 1 A 239 239 GLY H H 245 7.362 8.112 -0.750 1 1 2682 . 5 1 1 A 239 239 GLY HA2 H 245 4.539 4.095 0.444 1 1 2683 . 5 1 1 A 239 239 GLY HA3 H 245 3.728 4.106 -0.378 1 1 2684 . 5 1 1 A 239 239 GLY C C 245 174.343 173.315 1.028 1 1 2685 . 5 1 1 A 239 239 GLY CA C 245 43.316 44.246 -0.930 1 1 2686 . 5 1 1 A 239 239 GLY N N 245 107.650 106.407 1.243 1 1 2687 . 5 1 1 A 240 240 ILE H H 246 8.672 8.279 0.393 1 1 2688 . 5 1 1 A 240 240 ILE HA H 246 4.351 4.443 -0.092 1 1 2698 . 5 1 1 A 240 240 ILE C C 246 176.899 174.886 2.013 1 1 2699 . 5 1 1 A 240 240 ILE CA C 246 61.120 61.691 -0.571 1 1 2700 . 5 1 1 A 240 240 ILE CB C 246 36.906 38.533 -1.627 1 1 2704 . 5 1 1 A 240 240 ILE N N 246 122.673 121.080 1.593 1 1 2705 . 5 1 1 A 241 241 ARG H H 247 9.233 8.744 0.489 1 1 2706 . 5 1 1 A 241 241 ARG HA H 247 4.370 5.202 -0.832 1 1 2713 . 5 1 1 A 241 241 ARG C C 247 173.925 174.786 -0.861 1 1 2714 . 5 1 1 A 241 241 ARG CA C 247 53.461 54.223 -0.762 1 1 2715 . 5 1 1 A 241 241 ARG CB C 247 31.910 34.337 -2.427 1 1 2718 . 5 1 1 A 241 241 ARG N N 247 128.497 127.819 0.678 1 1 2719 . 5 1 1 A 242 242 HIS H H 248 8.519 8.901 -0.382 1 1 2720 . 5 1 1 A 242 242 HIS HA H 248 5.323 5.173 0.150 1 1 2725 . 5 1 1 A 242 242 HIS C C 248 174.635 174.510 0.125 1 1 2726 . 5 1 1 A 242 242 HIS CA C 248 55.759 54.782 0.977 1 1 2727 . 5 1 1 A 242 242 HIS CB C 248 32.921 32.491 0.430 1 1 2728 . 5 1 1 A 242 242 HIS N N 248 121.131 120.741 0.390 1 1 2729 . 5 1 1 A 243 243 ILE H H 249 8.723 9.102 -0.379 1 1 2730 . 5 1 1 A 243 243 ILE HA H 249 4.522 4.584 -0.062 1 1 2740 . 5 1 1 A 243 243 ILE C C 249 176.188 175.452 0.736 1 1 2741 . 5 1 1 A 243 243 ILE CA C 249 58.524 59.787 -1.263 1 1 2742 . 5 1 1 A 243 243 ILE CB C 249 41.977 41.876 0.101 1 1 2746 . 5 1 1 A 243 243 ILE N N 249 119.438 123.110 -3.672 1 1 2747 . 5 1 1 A 244 244 GLY H H 250 9.351 8.636 0.715 1 1 2748 . 5 1 1 A 244 244 GLY HA2 H 250 3.707 3.532 0.175 1 1 2749 . 5 1 1 A 244 244 GLY HA3 H 250 2.119 3.910 -1.791 1 1 2750 . 5 1 1 A 244 244 GLY C C 250 170.981 172.488 -1.507 1 1 2751 . 5 1 1 A 244 244 GLY CA C 250 44.178 44.649 -0.471 1 1 2752 . 5 1 1 A 244 244 GLY N N 250 113.700 115.039 -1.339 1 1 2753 . 5 1 1 A 245 245 LEU H H 251 7.833 8.530 -0.697 1 1 2754 . 5 1 1 A 245 245 LEU HA H 251 4.717 4.796 -0.079 1 1 2764 . 5 1 1 A 245 245 LEU C C 251 174.501 175.851 -1.350 1 1 2765 . 5 1 1 A 245 245 LEU CA C 251 52.508 53.797 -1.289 1 1 2766 . 5 1 1 A 245 245 LEU CB C 251 46.764 43.305 3.459 1 1 2770 . 5 1 1 A 245 245 LEU N N 251 120.798 124.606 -3.808 1 1 2771 . 5 1 1 A 246 246 ALA H H 252 7.906 8.705 -0.799 1 1 2772 . 5 1 1 A 246 246 ALA HA H 252 4.589 4.565 0.024 1 1 2776 . 5 1 1 A 246 246 ALA C C 252 173.363 175.484 -2.121 1 1 2777 . 5 1 1 A 246 246 ALA CA C 252 51.546 51.134 0.412 1 1 2778 . 5 1 1 A 246 246 ALA CB C 252 21.524 18.934 2.590 1 1 2779 . 5 1 1 A 246 246 ALA N N 252 122.885 125.692 -2.807 1 1 2780 . 5 1 1 A 247 247 ALA H H 253 9.041 8.541 0.500 1 1 2781 . 5 1 1 A 247 247 ALA HA H 253 4.726 5.527 -0.801 1 1 2785 . 5 1 1 A 247 247 ALA C C 253 174.897 175.453 -0.556 1 1 2786 . 5 1 1 A 247 247 ALA CA C 253 51.723 50.118 1.605 1 1 2787 . 5 1 1 A 247 247 ALA CB C 253 22.967 22.921 0.046 1 1 2788 . 5 1 1 A 247 247 ALA N N 253 122.967 125.002 -2.035 1 1 2789 . 5 1 1 A 248 248 LYS H H 254 8.171 8.958 -0.787 1 1 2790 . 5 1 1 A 248 248 LYS HA H 254 5.731 4.925 0.806 1 1 2797 . 5 1 1 A 248 248 LYS C C 254 175.094 175.715 -0.621 1 1 2798 . 5 1 1 A 248 248 LYS CA C 254 53.866 54.642 -0.776 1 1 2799 . 5 1 1 A 248 248 LYS CB C 254 36.312 35.447 0.865 1 1 2802 . 5 1 1 A 248 248 LYS N N 254 115.734 116.145 -0.411 1 1 60 . 6 1 1 A 9 9 GLY H H 15 8.346 8.877 -0.531 1 1 61 . 6 1 1 A 9 9 GLY HA2 H 15 4.021 3.884 0.137 1 1 62 . 6 1 1 A 9 9 GLY HA3 H 15 3.772 3.886 -0.114 1 1 63 . 6 1 1 A 9 9 GLY C C 15 174.259 175.560 -1.301 1 1 64 . 6 1 1 A 9 9 GLY CA C 15 45.581 46.692 -1.111 1 1 65 . 6 1 1 A 9 9 GLY N N 15 107.368 108.449 -1.081 1 1 66 . 6 1 1 A 10 10 LEU H H 16 7.224 7.887 -0.663 1 1 67 . 6 1 1 A 10 10 LEU HA H 16 3.736 4.106 -0.370 1 1 77 . 6 1 1 A 10 10 LEU C C 16 178.202 178.669 -0.467 1 1 78 . 6 1 1 A 10 10 LEU CA C 16 57.915 57.671 0.244 1 1 79 . 6 1 1 A 10 10 LEU CB C 16 40.686 41.971 -1.285 1 1 83 . 6 1 1 A 10 10 LEU N N 16 117.616 123.165 -5.549 1 1 84 . 6 1 1 A 11 11 ALA H H 17 7.860 8.478 -0.618 1 1 85 . 6 1 1 A 11 11 ALA HA H 17 3.937 4.009 -0.072 1 1 89 . 6 1 1 A 11 11 ALA C C 17 181.090 178.649 2.441 1 1 90 . 6 1 1 A 11 11 ALA CA C 17 54.860 55.323 -0.463 1 1 91 . 6 1 1 A 11 11 ALA CB C 17 17.248 17.412 -0.164 1 1 92 . 6 1 1 A 11 11 ALA N N 17 117.757 121.076 -3.319 1 1 93 . 6 1 1 A 12 12 ASP H H 18 8.017 8.399 -0.382 1 1 94 . 6 1 1 A 12 12 ASP HA H 18 4.223 4.341 -0.118 1 1 97 . 6 1 1 A 12 12 ASP C C 18 177.941 177.915 0.026 1 1 98 . 6 1 1 A 12 12 ASP CA C 18 56.341 57.375 -1.034 1 1 99 . 6 1 1 A 12 12 ASP CB C 18 39.312 41.989 -2.677 1 1 100 . 6 1 1 A 12 12 ASP N N 18 118.410 118.713 -0.303 1 1 101 . 6 1 1 A 13 13 ALA H H 19 8.205 7.685 0.520 1 1 102 . 6 1 1 A 13 13 ALA HA H 19 3.952 4.200 -0.248 1 1 106 . 6 1 1 A 13 13 ALA C C 19 178.856 178.204 0.652 1 1 107 . 6 1 1 A 13 13 ALA CA C 19 55.039 54.171 0.868 1 1 108 . 6 1 1 A 13 13 ALA CB C 19 17.779 18.470 -0.691 1 1 109 . 6 1 1 A 13 13 ALA N N 19 121.480 120.786 0.694 1 1 110 . 6 1 1 A 14 14 LEU H H 20 7.217 7.492 -0.275 1 1 111 . 6 1 1 A 14 14 LEU HA H 20 4.258 4.356 -0.098 1 1 121 . 6 1 1 A 14 14 LEU C C 20 177.544 178.339 -0.795 1 1 122 . 6 1 1 A 14 14 LEU CA C 20 55.511 55.604 -0.093 1 1 123 . 6 1 1 A 14 14 LEU CB C 20 42.176 43.006 -0.830 1 1 126 . 6 1 1 A 14 14 LEU N N 20 113.410 115.684 -2.274 1 1 127 . 6 1 1 A 15 15 THR H H 21 7.624 7.792 -0.168 1 1 128 . 6 1 1 A 15 15 THR HA H 21 4.394 4.287 0.107 1 1 133 . 6 1 1 A 15 15 THR C C 21 174.959 174.833 0.126 1 1 134 . 6 1 1 A 15 15 THR CA C 21 61.733 62.514 -0.781 1 1 135 . 6 1 1 A 15 15 THR CB C 21 71.514 69.124 2.390 1 1 137 . 6 1 1 A 15 15 THR N N 21 106.072 107.985 -1.913 1 1 138 . 6 1 1 A 16 16 ALA H H 22 8.932 7.363 1.569 1 1 139 . 6 1 1 A 16 16 ALA HA H 22 4.624 4.765 -0.141 1 1 143 . 6 1 1 A 16 16 ALA C C 22 175.978 175.034 0.944 1 1 144 . 6 1 1 A 16 16 ALA CA C 22 50.681 50.102 0.579 1 1 145 . 6 1 1 A 16 16 ALA CB C 22 18.728 21.783 -3.055 1 1 146 . 6 1 1 A 16 16 ALA N N 22 127.789 121.919 5.870 1 1 147 . 6 1 1 A 17 17 PRO HA H 23 4.430 4.724 -0.294 1 1 154 . 6 1 1 A 17 17 PRO CA C 23 61.497 62.546 -1.049 1 1 155 . 6 1 1 A 17 17 PRO CB C 23 31.775 33.122 -1.347 1 1 158 . 6 1 1 A 18 18 LEU H H 24 8.154 8.971 -0.817 1 1 159 . 6 1 1 A 18 18 LEU HA H 24 3.894 4.410 -0.516 1 1 169 . 6 1 1 A 18 18 LEU C C 24 176.447 176.369 0.078 1 1 170 . 6 1 1 A 18 18 LEU CA C 24 55.510 56.285 -0.775 1 1 171 . 6 1 1 A 18 18 LEU CB C 24 40.921 42.811 -1.890 1 1 175 . 6 1 1 A 18 18 LEU N N 24 121.010 120.120 0.890 1 1 176 . 6 1 1 A 19 19 ASP H H 25 8.758 7.790 0.968 1 1 177 . 6 1 1 A 19 19 ASP HA H 25 4.626 5.136 -0.510 1 1 180 . 6 1 1 A 19 19 ASP C C 25 176.425 175.675 0.750 1 1 181 . 6 1 1 A 19 19 ASP CA C 25 52.688 53.092 -0.404 1 1 182 . 6 1 1 A 19 19 ASP CB C 25 42.819 45.083 -2.264 1 1 183 . 6 1 1 A 19 19 ASP N N 25 124.654 115.818 8.836 1 1 184 . 6 1 1 A 20 20 HIS HA H 26 4.272 4.726 -0.454 1 1 189 . 6 1 1 A 20 20 HIS CA C 26 58.100 57.291 0.809 1 1 190 . 6 1 1 A 20 20 HIS CB C 26 29.200 32.270 -3.070 1 1 191 . 6 1 1 A 21 21 LYS H H 27 8.348 8.047 0.301 1 1 192 . 6 1 1 A 21 21 LYS HA H 27 3.970 4.021 -0.051 1 1 201 . 6 1 1 A 21 21 LYS C C 27 177.393 176.751 0.642 1 1 202 . 6 1 1 A 21 21 LYS CA C 27 56.320 58.957 -2.637 1 1 203 . 6 1 1 A 21 21 LYS CB C 27 30.950 33.044 -2.094 1 1 206 . 6 1 1 A 21 21 LYS N N 27 118.419 119.457 -1.038 1 1 207 . 6 1 1 A 22 22 ASP H H 28 7.451 7.964 -0.513 1 1 208 . 6 1 1 A 22 22 ASP HA H 28 4.307 4.786 -0.479 1 1 211 . 6 1 1 A 22 22 ASP C C 28 176.212 176.432 -0.220 1 1 212 . 6 1 1 A 22 22 ASP CA C 28 54.164 55.073 -0.909 1 1 213 . 6 1 1 A 22 22 ASP CB C 28 40.091 43.268 -3.177 1 1 214 . 6 1 1 A 22 22 ASP N N 28 120.045 115.028 5.017 1 1 215 . 6 1 1 A 23 23 LYS H H 29 8.416 8.193 0.223 1 1 216 . 6 1 1 A 23 23 LYS HA H 29 3.962 4.004 -0.042 1 1 225 . 6 1 1 A 23 23 LYS C C 29 177.409 176.672 0.737 1 1 226 . 6 1 1 A 23 23 LYS CA C 29 56.254 57.459 -1.205 1 1 227 . 6 1 1 A 23 23 LYS CB C 29 31.950 30.426 1.524 1 1 231 . 6 1 1 A 23 23 LYS N N 29 121.925 116.082 5.843 1 1 232 . 6 1 1 A 24 24 GLY H H 30 8.612 8.729 -0.117 1 1 233 . 6 1 1 A 24 24 GLY HA2 H 30 3.655 3.924 -0.269 1 1 234 . 6 1 1 A 24 24 GLY HA3 H 30 3.519 3.972 -0.453 1 1 235 . 6 1 1 A 24 24 GLY CA C 30 44.788 45.726 -0.938 1 1 236 . 6 1 1 A 24 24 GLY N N 30 111.487 105.277 6.210 1 1 237 . 6 1 1 A 25 25 LEU H H 31 8.054 7.972 0.082 1 1 238 . 6 1 1 A 25 25 LEU HA H 31 3.770 4.808 -1.038 1 1 248 . 6 1 1 A 25 25 LEU CA C 31 55.906 54.531 1.375 1 1 249 . 6 1 1 A 25 25 LEU CB C 31 44.428 44.660 -0.232 1 1 253 . 6 1 1 A 25 25 LEU N N 31 127.196 122.509 4.687 1 1 254 . 6 1 1 A 26 26 GLN H H 32 9.184 8.866 0.318 1 1 255 . 6 1 1 A 26 26 GLN HA H 32 3.437 4.657 -1.220 1 1 262 . 6 1 1 A 26 26 GLN C C 32 174.347 175.231 -0.884 1 1 263 . 6 1 1 A 26 26 GLN CA C 32 57.926 56.447 1.479 1 1 264 . 6 1 1 A 26 26 GLN CB C 32 27.721 31.129 -3.408 1 1 266 . 6 1 1 A 26 26 GLN N N 32 131.782 124.691 7.091 1 1 268 . 6 1 1 A 27 27 SER H H 33 7.240 7.714 -0.474 1 1 269 . 6 1 1 A 27 27 SER HA H 33 4.981 5.102 -0.121 1 1 272 . 6 1 1 A 27 27 SER C C 33 171.111 172.409 -1.298 1 1 273 . 6 1 1 A 27 27 SER CA C 33 56.782 57.605 -0.823 1 1 274 . 6 1 1 A 27 27 SER CB C 33 64.611 65.814 -1.203 1 1 275 . 6 1 1 A 27 27 SER N N 33 108.936 112.130 -3.194 1 1 276 . 6 1 1 A 28 28 LEU H H 34 8.010 9.066 -1.056 1 1 277 . 6 1 1 A 28 28 LEU HA H 34 4.372 4.933 -0.561 1 1 287 . 6 1 1 A 28 28 LEU C C 34 174.697 174.988 -0.291 1 1 288 . 6 1 1 A 28 28 LEU CA C 34 53.332 53.577 -0.245 1 1 289 . 6 1 1 A 28 28 LEU CB C 34 45.636 44.683 0.953 1 1 293 . 6 1 1 A 28 28 LEU N N 34 121.826 121.568 0.258 1 1 294 . 6 1 1 A 29 29 THR H H 35 8.810 8.862 -0.052 1 1 295 . 6 1 1 A 29 29 THR HA H 35 4.046 4.619 -0.573 1 1 300 . 6 1 1 A 29 29 THR C C 35 172.792 174.194 -1.402 1 1 301 . 6 1 1 A 29 29 THR CA C 35 62.565 62.772 -0.207 1 1 302 . 6 1 1 A 29 29 THR CB C 35 68.233 70.028 -1.795 1 1 304 . 6 1 1 A 29 29 THR N N 35 123.892 122.025 1.867 1 1 305 . 6 1 1 A 30 30 LEU H H 36 8.662 8.656 0.006 1 1 306 . 6 1 1 A 30 30 LEU HA H 36 4.150 4.723 -0.573 1 1 316 . 6 1 1 A 30 30 LEU C C 36 174.707 175.875 -1.168 1 1 317 . 6 1 1 A 30 30 LEU CA C 36 53.789 54.109 -0.320 1 1 318 . 6 1 1 A 30 30 LEU CB C 36 40.562 41.579 -1.017 1 1 322 . 6 1 1 A 30 30 LEU N N 36 128.365 126.128 2.237 1 1 323 . 6 1 1 A 31 31 ASP H H 37 8.500 9.183 -0.683 1 1 324 . 6 1 1 A 31 31 ASP HA H 37 4.837 4.850 -0.013 1 1 327 . 6 1 1 A 31 31 ASP CA C 37 54.657 55.403 -0.746 1 1 328 . 6 1 1 A 31 31 ASP CB C 37 43.089 43.211 -0.122 1 1 329 . 6 1 1 A 31 31 ASP N N 37 123.194 125.899 -2.705 1 1 330 . 6 1 1 A 32 32 GLN H H 38 10.453 8.445 2.008 1 1 331 . 6 1 1 A 32 32 GLN HA H 38 3.808 4.076 -0.268 1 1 338 . 6 1 1 A 32 32 GLN C C 38 178.535 177.357 1.178 1 1 339 . 6 1 1 A 32 32 GLN CA C 38 56.284 57.090 -0.806 1 1 340 . 6 1 1 A 32 32 GLN CB C 38 28.175 27.875 0.300 1 1 342 . 6 1 1 A 32 32 GLN N N 38 120.692 117.588 3.104 1 1 344 . 6 1 1 A 33 33 SER H H 39 8.523 7.822 0.701 1 1 345 . 6 1 1 A 33 33 SER HA H 39 4.081 4.409 -0.328 1 1 348 . 6 1 1 A 33 33 SER C C 39 171.792 174.321 -2.529 1 1 349 . 6 1 1 A 33 33 SER CA C 39 61.436 60.133 1.303 1 1 350 . 6 1 1 A 33 33 SER CB C 39 63.008 64.239 -1.231 1 1 351 . 6 1 1 A 33 33 SER N N 39 111.712 112.593 -0.881 1 1 352 . 6 1 1 A 34 34 VAL H H 40 6.691 7.766 -1.075 1 1 353 . 6 1 1 A 34 34 VAL HA H 40 3.890 4.693 -0.803 1 1 361 . 6 1 1 A 34 34 VAL C C 40 172.251 174.483 -2.232 1 1 362 . 6 1 1 A 34 34 VAL CA C 40 60.415 59.794 0.621 1 1 363 . 6 1 1 A 34 34 VAL CB C 40 32.306 35.743 -3.437 1 1 366 . 6 1 1 A 34 34 VAL N N 40 115.971 118.580 -2.609 1 1 367 . 6 1 1 A 35 35 ARG H H 41 8.184 8.600 -0.416 1 1 368 . 6 1 1 A 35 35 ARG HA H 41 4.176 4.337 -0.161 1 1 375 . 6 1 1 A 35 35 ARG C C 41 176.886 177.746 -0.860 1 1 376 . 6 1 1 A 35 35 ARG CA C 41 55.599 56.218 -0.619 1 1 377 . 6 1 1 A 35 35 ARG CB C 41 30.569 31.168 -0.599 1 1 380 . 6 1 1 A 35 35 ARG N N 41 125.397 126.083 -0.686 1 1 381 . 6 1 1 A 36 36 LYS H H 42 8.493 8.845 -0.352 1 1 382 . 6 1 1 A 36 36 LYS HA H 42 3.778 4.064 -0.286 1 1 391 . 6 1 1 A 36 36 LYS C C 42 176.596 177.155 -0.559 1 1 392 . 6 1 1 A 36 36 LYS CA C 42 58.687 58.632 0.055 1 1 393 . 6 1 1 A 36 36 LYS CB C 42 31.959 32.130 -0.171 1 1 397 . 6 1 1 A 36 36 LYS N N 42 119.360 122.421 -3.061 1 1 398 . 6 1 1 A 37 37 ASN H H 43 8.513 7.700 0.813 1 1 399 . 6 1 1 A 37 37 ASN HA H 43 4.438 4.802 -0.364 1 1 404 . 6 1 1 A 37 37 ASN C C 43 173.867 175.507 -1.640 1 1 405 . 6 1 1 A 37 37 ASN CA C 43 55.127 53.808 1.319 1 1 406 . 6 1 1 A 37 37 ASN CB C 43 37.071 39.595 -2.524 1 1 407 . 6 1 1 A 37 37 ASN N N 43 115.488 115.554 -0.066 1 1 409 . 6 1 1 A 38 38 GLU H H 44 7.793 7.667 0.126 1 1 410 . 6 1 1 A 38 38 GLU HA H 44 4.772 4.791 -0.019 1 1 413 . 6 1 1 A 38 38 GLU C C 44 175.262 175.778 -0.516 1 1 414 . 6 1 1 A 38 38 GLU CA C 44 54.808 54.729 0.079 1 1 415 . 6 1 1 A 38 38 GLU CB C 44 32.321 31.070 1.251 1 1 416 . 6 1 1 A 38 38 GLU N N 44 118.734 117.333 1.401 1 1 417 . 6 1 1 A 39 39 LYS H H 45 8.706 8.764 -0.058 1 1 418 . 6 1 1 A 39 39 LYS HA H 45 4.606 5.208 -0.602 1 1 427 . 6 1 1 A 39 39 LYS C C 45 174.312 174.648 -0.336 1 1 428 . 6 1 1 A 39 39 LYS CA C 45 52.782 54.547 -1.765 1 1 429 . 6 1 1 A 39 39 LYS CB C 45 35.174 35.614 -0.440 1 1 433 . 6 1 1 A 39 39 LYS N N 45 117.132 118.796 -1.664 1 1 434 . 6 1 1 A 40 40 LEU H H 46 9.085 9.164 -0.079 1 1 435 . 6 1 1 A 40 40 LEU HA H 46 5.044 5.103 -0.059 1 1 442 . 6 1 1 A 40 40 LEU C C 46 173.778 174.332 -0.554 1 1 443 . 6 1 1 A 40 40 LEU CA C 46 52.590 53.630 -1.040 1 1 444 . 6 1 1 A 40 40 LEU CB C 46 44.855 46.336 -1.481 1 1 447 . 6 1 1 A 40 40 LEU N N 46 125.335 123.215 2.120 1 1 448 . 6 1 1 A 41 41 LYS H H 47 9.263 8.797 0.466 1 1 449 . 6 1 1 A 41 41 LYS HA H 47 5.049 4.784 0.265 1 1 458 . 6 1 1 A 41 41 LYS C C 47 175.616 174.483 1.133 1 1 459 . 6 1 1 A 41 41 LYS CA C 47 53.864 54.697 -0.833 1 1 460 . 6 1 1 A 41 41 LYS CB C 47 32.986 34.511 -1.525 1 1 464 . 6 1 1 A 41 41 LYS N N 47 129.833 126.509 3.324 1 1 465 . 6 1 1 A 42 42 LEU H H 48 8.954 8.693 0.261 1 1 466 . 6 1 1 A 42 42 LEU HA H 48 5.458 5.381 0.077 1 1 476 . 6 1 1 A 42 42 LEU C C 48 175.565 174.896 0.669 1 1 477 . 6 1 1 A 42 42 LEU CA C 48 51.964 53.373 -1.409 1 1 478 . 6 1 1 A 42 42 LEU CB C 48 44.393 45.536 -1.143 1 1 482 . 6 1 1 A 42 42 LEU N N 48 126.292 128.368 -2.076 1 1 483 . 6 1 1 A 43 43 ALA H H 49 8.804 8.625 0.179 1 1 484 . 6 1 1 A 43 43 ALA HA H 49 5.304 5.267 0.037 1 1 488 . 6 1 1 A 43 43 ALA C C 49 176.301 175.733 0.568 1 1 489 . 6 1 1 A 43 43 ALA CA C 49 51.004 51.296 -0.292 1 1 490 . 6 1 1 A 43 43 ALA CB C 49 23.453 23.993 -0.540 1 1 491 . 6 1 1 A 43 43 ALA N N 49 120.789 127.346 -6.557 1 1 492 . 6 1 1 A 44 44 ALA H H 50 8.117 8.646 -0.529 1 1 493 . 6 1 1 A 44 44 ALA HA H 50 4.485 4.514 -0.029 1 1 497 . 6 1 1 A 44 44 ALA C C 50 176.254 175.692 0.562 1 1 498 . 6 1 1 A 44 44 ALA CA C 50 53.021 51.761 1.260 1 1 499 . 6 1 1 A 44 44 ALA CB C 50 23.682 21.803 1.879 1 1 500 . 6 1 1 A 44 44 ALA N N 50 120.678 120.135 0.543 1 1 501 . 6 1 1 A 45 45 GLN H H 51 9.035 9.192 -0.157 1 1 502 . 6 1 1 A 45 45 GLN HA H 51 3.774 3.957 -0.183 1 1 509 . 6 1 1 A 45 45 GLN C C 51 175.259 176.006 -0.747 1 1 510 . 6 1 1 A 45 45 GLN CA C 51 56.074 57.005 -0.931 1 1 511 . 6 1 1 A 45 45 GLN CB C 51 27.339 26.908 0.431 1 1 513 . 6 1 1 A 45 45 GLN N N 51 116.299 123.233 -6.934 1 1 515 . 6 1 1 A 46 46 GLY H H 52 8.441 8.629 -0.188 1 1 516 . 6 1 1 A 46 46 GLY HA2 H 52 4.066 3.818 0.248 1 1 517 . 6 1 1 A 46 46 GLY HA3 H 52 3.510 3.819 -0.309 1 1 518 . 6 1 1 A 46 46 GLY C C 52 173.050 173.799 -0.749 1 1 519 . 6 1 1 A 46 46 GLY CA C 52 44.998 45.364 -0.366 1 1 520 . 6 1 1 A 46 46 GLY N N 52 105.419 104.989 0.430 1 1 521 . 6 1 1 A 47 47 ALA H H 53 8.152 7.717 0.435 1 1 522 . 6 1 1 A 47 47 ALA HA H 53 4.767 4.608 0.159 1 1 526 . 6 1 1 A 47 47 ALA C C 53 175.989 176.628 -0.639 1 1 527 . 6 1 1 A 47 47 ALA CA C 53 49.918 51.493 -1.575 1 1 528 . 6 1 1 A 47 47 ALA CB C 53 22.720 20.500 2.220 1 1 529 . 6 1 1 A 47 47 ALA N N 53 124.355 123.573 0.782 1 1 530 . 6 1 1 A 48 48 GLU H H 54 8.156 9.165 -1.009 1 1 531 . 6 1 1 A 48 48 GLU HA H 54 5.488 5.278 0.210 1 1 536 . 6 1 1 A 48 48 GLU C C 54 174.224 173.638 0.586 1 1 537 . 6 1 1 A 48 48 GLU CA C 54 54.346 54.603 -0.257 1 1 538 . 6 1 1 A 48 48 GLU CB C 54 34.305 33.500 0.805 1 1 540 . 6 1 1 A 48 48 GLU N N 54 116.655 116.864 -0.209 1 1 541 . 6 1 1 A 49 49 LYS H H 55 8.852 9.128 -0.276 1 1 542 . 6 1 1 A 49 49 LYS HA H 55 4.190 4.828 -0.638 1 1 549 . 6 1 1 A 49 49 LYS C C 55 172.887 175.163 -2.276 1 1 550 . 6 1 1 A 49 49 LYS CA C 55 56.414 54.281 2.133 1 1 551 . 6 1 1 A 49 49 LYS CB C 55 34.723 35.639 -0.916 1 1 554 . 6 1 1 A 49 49 LYS N N 55 122.922 121.924 0.998 1 1 555 . 6 1 1 A 50 50 THR H H 56 7.910 8.582 -0.672 1 1 556 . 6 1 1 A 50 50 THR HA H 56 4.908 4.685 0.223 1 1 561 . 6 1 1 A 50 50 THR C C 56 173.112 173.803 -0.691 1 1 562 . 6 1 1 A 50 50 THR CA C 56 61.998 62.812 -0.814 1 1 563 . 6 1 1 A 50 50 THR CB C 56 68.596 69.476 -0.880 1 1 565 . 6 1 1 A 50 50 THR N N 56 120.811 122.530 -1.719 1 1 566 . 6 1 1 A 51 51 TYR H H 57 9.432 9.262 0.170 1 1 567 . 6 1 1 A 51 51 TYR HA H 57 4.493 5.333 -0.840 1 1 574 . 6 1 1 A 51 51 TYR C C 57 174.156 175.888 -1.732 1 1 575 . 6 1 1 A 51 51 TYR CA C 57 57.375 55.597 1.778 1 1 576 . 6 1 1 A 51 51 TYR CB C 57 41.895 42.133 -0.238 1 1 577 . 6 1 1 A 51 51 TYR N N 57 127.372 126.467 0.905 1 1 578 . 6 1 1 A 52 52 GLY H H 58 9.154 8.452 0.702 1 1 579 . 6 1 1 A 52 52 GLY HA2 H 58 3.543 4.228 -0.685 1 1 580 . 6 1 1 A 52 52 GLY HA3 H 58 3.543 4.230 -0.687 1 1 581 . 6 1 1 A 52 52 GLY C C 58 172.527 174.065 -1.538 1 1 582 . 6 1 1 A 52 52 GLY CA C 58 42.304 46.041 -3.737 1 1 583 . 6 1 1 A 52 52 GLY N N 58 108.920 109.143 -0.223 1 1 584 . 6 1 1 A 53 53 ASN H H 59 8.877 9.255 -0.378 1 1 585 . 6 1 1 A 53 53 ASN HA H 59 4.034 4.646 -0.612 1 1 588 . 6 1 1 A 53 53 ASN C C 59 176.319 174.435 1.884 1 1 589 . 6 1 1 A 53 53 ASN CA C 59 57.108 54.922 2.186 1 1 590 . 6 1 1 A 53 53 ASN CB C 59 39.672 38.583 1.089 1 1 591 . 6 1 1 A 53 53 ASN N N 59 117.281 120.743 -3.462 1 1 592 . 6 1 1 A 54 54 GLY H H 60 8.949 7.588 1.361 1 1 593 . 6 1 1 A 54 54 GLY HA2 H 60 4.222 4.024 0.198 1 1 594 . 6 1 1 A 54 54 GLY HA3 H 60 3.348 4.044 -0.696 1 1 595 . 6 1 1 A 54 54 GLY C C 60 174.096 171.994 2.102 1 1 596 . 6 1 1 A 54 54 GLY CA C 60 44.931 45.971 -1.040 1 1 597 . 6 1 1 A 54 54 GLY N N 60 114.860 104.873 9.987 1 1 598 . 6 1 1 A 55 55 ASP H H 61 7.991 8.819 -0.828 1 1 599 . 6 1 1 A 55 55 ASP HA H 61 4.493 5.040 -0.547 1 1 602 . 6 1 1 A 55 55 ASP C C 61 174.727 174.378 0.349 1 1 603 . 6 1 1 A 55 55 ASP CA C 61 54.408 52.964 1.444 1 1 604 . 6 1 1 A 55 55 ASP CB C 61 41.780 43.481 -1.701 1 1 605 . 6 1 1 A 55 55 ASP N N 61 121.974 123.806 -1.832 1 1 606 . 6 1 1 A 56 56 SER H H 62 8.485 8.629 -0.144 1 1 607 . 6 1 1 A 56 56 SER HA H 62 4.959 5.112 -0.153 1 1 610 . 6 1 1 A 56 56 SER C C 62 173.099 172.358 0.741 1 1 611 . 6 1 1 A 56 56 SER CA C 62 57.154 57.389 -0.235 1 1 612 . 6 1 1 A 56 56 SER CB C 62 64.522 66.087 -1.565 1 1 613 . 6 1 1 A 56 56 SER N N 62 113.088 113.782 -0.694 1 1 614 . 6 1 1 A 57 57 LEU H H 63 9.004 8.953 0.051 1 1 615 . 6 1 1 A 57 57 LEU HA H 63 4.500 5.009 -0.509 1 1 625 . 6 1 1 A 57 57 LEU C C 63 175.943 175.382 0.561 1 1 626 . 6 1 1 A 57 57 LEU CA C 63 53.070 53.829 -0.759 1 1 627 . 6 1 1 A 57 57 LEU CB C 63 43.800 45.711 -1.911 1 1 630 . 6 1 1 A 57 57 LEU N N 63 126.423 123.563 2.860 1 1 631 . 6 1 1 A 58 58 ASN H H 64 8.484 8.969 -0.485 1 1 632 . 6 1 1 A 58 58 ASN HA H 64 4.752 4.843 -0.091 1 1 635 . 6 1 1 A 58 58 ASN C C 64 173.916 175.346 -1.430 1 1 636 . 6 1 1 A 58 58 ASN CA C 64 50.587 53.688 -3.101 1 1 637 . 6 1 1 A 58 58 ASN CB C 64 35.153 38.754 -3.601 1 1 638 . 6 1 1 A 58 58 ASN N N 64 125.624 124.799 0.825 1 1 639 . 6 1 1 A 59 59 THR H H 65 7.747 8.997 -1.250 1 1 640 . 6 1 1 A 59 59 THR HA H 65 4.770 4.624 0.146 1 1 645 . 6 1 1 A 59 59 THR C C 65 177.245 175.047 2.198 1 1 646 . 6 1 1 A 59 59 THR CA C 65 63.213 61.226 1.987 1 1 647 . 6 1 1 A 59 59 THR CB C 65 63.510 70.516 -7.006 1 1 649 . 6 1 1 A 59 59 THR N N 65 113.770 116.702 -2.932 1 1 650 . 6 1 1 A 60 60 GLY H H 66 8.869 8.108 0.761 1 1 651 . 6 1 1 A 60 60 GLY HA2 H 66 3.839 3.939 -0.100 1 1 652 . 6 1 1 A 60 60 GLY HA3 H 66 3.724 3.941 -0.217 1 1 653 . 6 1 1 A 60 60 GLY C C 66 173.279 173.921 -0.642 1 1 654 . 6 1 1 A 60 60 GLY CA C 66 44.892 47.139 -2.247 1 1 655 . 6 1 1 A 60 60 GLY N N 66 114.430 110.528 3.902 1 1 656 . 6 1 1 A 61 61 LYS H H 67 6.376 7.804 -1.428 1 1 657 . 6 1 1 A 61 61 LYS HA H 67 4.021 4.725 -0.704 1 1 666 . 6 1 1 A 61 61 LYS C C 67 176.315 175.167 1.148 1 1 667 . 6 1 1 A 61 61 LYS CA C 67 54.298 54.521 -0.223 1 1 668 . 6 1 1 A 61 61 LYS CB C 67 32.200 35.439 -3.239 1 1 672 . 6 1 1 A 61 61 LYS N N 67 112.620 119.543 -6.923 1 1 673 . 6 1 1 A 62 62 LEU H H 68 7.335 8.746 -1.411 1 1 674 . 6 1 1 A 62 62 LEU HA H 68 4.275 4.284 -0.009 1 1 684 . 6 1 1 A 62 62 LEU C C 68 176.306 174.826 1.480 1 1 685 . 6 1 1 A 62 62 LEU CA C 68 52.479 56.975 -4.496 1 1 686 . 6 1 1 A 62 62 LEU CB C 68 40.600 40.963 -0.363 1 1 689 . 6 1 1 A 62 62 LEU N N 68 116.704 121.254 -4.550 1 1 690 . 6 1 1 A 63 63 LYS H H 69 8.506 8.566 -0.060 1 1 691 . 6 1 1 A 63 63 LYS HA H 69 3.992 4.779 -0.787 1 1 700 . 6 1 1 A 63 63 LYS C C 69 175.886 175.839 0.047 1 1 701 . 6 1 1 A 63 63 LYS CA C 69 54.986 54.321 0.665 1 1 702 . 6 1 1 A 63 63 LYS CB C 69 32.447 35.978 -3.531 1 1 706 . 6 1 1 A 63 63 LYS N N 69 119.841 120.130 -0.289 1 1 707 . 6 1 1 A 64 64 ASN H H 70 8.080 8.786 -0.706 1 1 708 . 6 1 1 A 64 64 ASN HA H 70 3.839 4.621 -0.782 1 1 713 . 6 1 1 A 64 64 ASN C C 70 174.449 175.018 -0.569 1 1 714 . 6 1 1 A 64 64 ASN CA C 70 54.417 55.551 -1.134 1 1 715 . 6 1 1 A 64 64 ASN CB C 70 38.129 37.479 0.650 1 1 716 . 6 1 1 A 64 64 ASN N N 70 121.515 116.407 5.108 1 1 718 . 6 1 1 A 65 65 ASP H H 71 9.218 8.522 0.696 1 1 719 . 6 1 1 A 65 65 ASP HA H 71 3.690 5.221 -1.531 1 1 722 . 6 1 1 A 65 65 ASP C C 71 173.016 175.849 -2.833 1 1 723 . 6 1 1 A 65 65 ASP CA C 71 54.726 53.748 0.978 1 1 724 . 6 1 1 A 65 65 ASP CB C 71 38.534 41.315 -2.781 1 1 725 . 6 1 1 A 65 65 ASP N N 71 113.370 121.000 -7.630 1 1 726 . 6 1 1 A 66 66 LYS H H 72 6.443 8.599 -2.156 1 1 727 . 6 1 1 A 66 66 LYS HA H 72 4.411 4.988 -0.577 1 1 734 . 6 1 1 A 66 66 LYS C C 72 174.745 174.361 0.384 1 1 735 . 6 1 1 A 66 66 LYS CA C 72 53.094 54.980 -1.886 1 1 736 . 6 1 1 A 66 66 LYS CB C 72 36.099 36.178 -0.079 1 1 739 . 6 1 1 A 66 66 LYS N N 72 113.415 120.265 -6.850 1 1 740 . 6 1 1 A 67 67 VAL H H 73 8.679 8.605 0.074 1 1 741 . 6 1 1 A 67 67 VAL HA H 73 4.189 4.185 0.004 1 1 749 . 6 1 1 A 67 67 VAL C C 73 176.630 174.894 1.736 1 1 750 . 6 1 1 A 67 67 VAL CA C 73 62.135 61.926 0.209 1 1 751 . 6 1 1 A 67 67 VAL CB C 73 32.001 31.306 0.695 1 1 753 . 6 1 1 A 67 67 VAL N N 73 122.098 122.980 -0.882 1 1 754 . 6 1 1 A 68 68 SER H H 74 9.497 9.168 0.329 1 1 755 . 6 1 1 A 68 68 SER HA H 74 4.507 4.919 -0.412 1 1 758 . 6 1 1 A 68 68 SER C C 74 172.249 173.596 -1.347 1 1 759 . 6 1 1 A 68 68 SER CA C 74 58.323 57.082 1.241 1 1 760 . 6 1 1 A 68 68 SER CB C 74 64.028 64.155 -0.127 1 1 761 . 6 1 1 A 68 68 SER N N 74 127.048 123.476 3.572 1 1 762 . 6 1 1 A 69 69 ARG H H 75 7.848 8.341 -0.493 1 1 763 . 6 1 1 A 69 69 ARG HA H 75 5.031 4.274 0.757 1 1 770 . 6 1 1 A 69 69 ARG C C 75 173.300 175.881 -2.581 1 1 771 . 6 1 1 A 69 69 ARG CA C 75 55.337 56.060 -0.723 1 1 772 . 6 1 1 A 69 69 ARG CB C 75 31.871 30.302 1.569 1 1 775 . 6 1 1 A 69 69 ARG N N 75 122.621 125.607 -2.986 1 1 776 . 6 1 1 A 70 70 PHE H H 76 9.246 8.648 0.598 1 1 777 . 6 1 1 A 70 70 PHE HA H 76 4.808 4.971 -0.163 1 1 784 . 6 1 1 A 70 70 PHE C C 76 175.788 174.199 1.589 1 1 785 . 6 1 1 A 70 70 PHE CA C 76 55.245 56.716 -1.471 1 1 786 . 6 1 1 A 70 70 PHE CB C 76 43.645 43.409 0.236 1 1 787 . 6 1 1 A 70 70 PHE N N 76 118.087 120.436 -2.349 1 1 788 . 6 1 1 A 71 71 ASP H H 77 9.144 9.092 0.052 1 1 789 . 6 1 1 A 71 71 ASP HA H 77 5.360 5.349 0.011 1 1 792 . 6 1 1 A 71 71 ASP C C 77 176.477 175.032 1.445 1 1 793 . 6 1 1 A 71 71 ASP CA C 77 55.131 53.270 1.861 1 1 794 . 6 1 1 A 71 71 ASP CB C 77 41.301 43.032 -1.731 1 1 795 . 6 1 1 A 71 71 ASP N N 77 123.565 122.964 0.601 1 1 796 . 6 1 1 A 72 72 PHE H H 78 9.094 8.629 0.465 1 1 797 . 6 1 1 A 72 72 PHE HA H 78 6.431 5.383 1.048 1 1 805 . 6 1 1 A 72 72 PHE C C 78 174.014 173.350 0.664 1 1 806 . 6 1 1 A 72 72 PHE CA C 78 54.934 56.711 -1.777 1 1 807 . 6 1 1 A 72 72 PHE CB C 78 42.491 42.752 -0.261 1 1 808 . 6 1 1 A 72 72 PHE N N 78 119.663 125.670 -6.007 1 1 809 . 6 1 1 A 73 73 ILE H H 79 8.623 8.542 0.081 1 1 810 . 6 1 1 A 73 73 ILE HA H 79 4.334 4.966 -0.632 1 1 820 . 6 1 1 A 73 73 ILE C C 79 173.961 174.459 -0.498 1 1 821 . 6 1 1 A 73 73 ILE CA C 79 61.222 60.676 0.546 1 1 822 . 6 1 1 A 73 73 ILE CB C 79 41.918 41.114 0.804 1 1 826 . 6 1 1 A 73 73 ILE N N 79 119.750 126.808 -7.058 1 1 827 . 6 1 1 A 74 74 ARG H H 80 9.052 9.351 -0.299 1 1 828 . 6 1 1 A 74 74 ARG HA H 80 5.311 4.802 0.509 1 1 835 . 6 1 1 A 74 74 ARG C C 80 174.870 174.854 0.016 1 1 836 . 6 1 1 A 74 74 ARG CA C 80 54.449 55.180 -0.731 1 1 837 . 6 1 1 A 74 74 ARG CB C 80 33.740 31.396 2.344 1 1 840 . 6 1 1 A 74 74 ARG N N 80 128.407 128.703 -0.296 1 1 841 . 6 1 1 A 75 75 GLN H H 81 9.304 8.994 0.310 1 1 842 . 6 1 1 A 75 75 GLN HA H 81 5.562 5.126 0.436 1 1 849 . 6 1 1 A 75 75 GLN C C 81 173.678 174.065 -0.387 1 1 850 . 6 1 1 A 75 75 GLN CA C 81 53.745 54.328 -0.583 1 1 851 . 6 1 1 A 75 75 GLN CB C 81 34.013 32.325 1.688 1 1 853 . 6 1 1 A 75 75 GLN N N 81 125.481 127.369 -1.888 1 1 855 . 6 1 1 A 76 76 ILE H H 82 8.592 8.275 0.317 1 1 856 . 6 1 1 A 76 76 ILE HA H 82 4.576 4.776 -0.200 1 1 866 . 6 1 1 A 76 76 ILE C C 82 172.511 173.638 -1.127 1 1 867 . 6 1 1 A 76 76 ILE CA C 82 59.622 59.108 0.514 1 1 868 . 6 1 1 A 76 76 ILE CB C 82 42.248 41.810 0.438 1 1 872 . 6 1 1 A 76 76 ILE N N 82 115.536 122.907 -7.371 1 1 873 . 6 1 1 A 77 77 GLU H H 83 8.433 8.461 -0.028 1 1 874 . 6 1 1 A 77 77 GLU HA H 83 4.936 4.772 0.164 1 1 879 . 6 1 1 A 77 77 GLU C C 83 175.614 175.481 0.133 1 1 880 . 6 1 1 A 77 77 GLU CA C 83 54.812 56.139 -1.327 1 1 881 . 6 1 1 A 77 77 GLU CB C 83 30.465 30.237 0.228 1 1 883 . 6 1 1 A 77 77 GLU N N 83 124.858 127.000 -2.142 1 1 884 . 6 1 1 A 78 78 VAL H H 84 8.879 8.683 0.196 1 1 885 . 6 1 1 A 78 78 VAL HA H 84 4.076 4.418 -0.342 1 1 893 . 6 1 1 A 78 78 VAL C C 84 175.694 175.494 0.200 1 1 894 . 6 1 1 A 78 78 VAL CA C 84 61.382 61.096 0.286 1 1 895 . 6 1 1 A 78 78 VAL CB C 84 34.014 32.238 1.776 1 1 897 . 6 1 1 A 78 78 VAL N N 84 126.973 125.187 1.786 1 1 898 . 6 1 1 A 79 79 ASP H H 85 9.329 9.524 -0.195 1 1 899 . 6 1 1 A 79 79 ASP HA H 85 4.156 4.345 -0.189 1 1 902 . 6 1 1 A 79 79 ASP C C 85 175.774 176.270 -0.496 1 1 903 . 6 1 1 A 79 79 ASP CA C 85 55.125 55.499 -0.374 1 1 904 . 6 1 1 A 79 79 ASP CB C 85 38.926 39.506 -0.580 1 1 905 . 6 1 1 A 79 79 ASP N N 85 129.387 129.680 -0.293 1 1 906 . 6 1 1 A 80 80 GLY H H 86 8.575 8.644 -0.069 1 1 907 . 6 1 1 A 80 80 GLY HA2 H 86 3.992 3.856 0.136 1 1 908 . 6 1 1 A 80 80 GLY HA3 H 86 3.507 3.856 -0.349 1 1 909 . 6 1 1 A 80 80 GLY C C 86 173.366 173.764 -0.398 1 1 910 . 6 1 1 A 80 80 GLY CA C 86 44.759 45.527 -0.768 1 1 911 . 6 1 1 A 80 80 GLY N N 86 103.293 104.759 -1.466 1 1 912 . 6 1 1 A 81 81 GLN H H 87 7.751 8.182 -0.431 1 1 913 . 6 1 1 A 81 81 GLN HA H 87 4.482 4.829 -0.347 1 1 918 . 6 1 1 A 81 81 GLN C C 87 173.874 174.742 -0.868 1 1 919 . 6 1 1 A 81 81 GLN CA C 87 53.328 53.988 -0.660 1 1 920 . 6 1 1 A 81 81 GLN CB C 87 30.670 31.712 -1.042 1 1 922 . 6 1 1 A 81 81 GLN N N 87 119.688 118.649 1.039 1 1 923 . 6 1 1 A 82 82 LEU H H 88 8.418 8.864 -0.446 1 1 924 . 6 1 1 A 82 82 LEU HA H 88 4.630 4.934 -0.304 1 1 934 . 6 1 1 A 82 82 LEU C C 88 176.289 175.709 0.580 1 1 935 . 6 1 1 A 82 82 LEU CA C 88 53.834 53.702 0.132 1 1 936 . 6 1 1 A 82 82 LEU CB C 88 41.737 42.575 -0.838 1 1 940 . 6 1 1 A 82 82 LEU N N 88 123.523 122.933 0.590 1 1 941 . 6 1 1 A 83 83 ILE H H 89 9.146 8.983 0.163 1 1 942 . 6 1 1 A 83 83 ILE HA H 89 4.249 4.965 -0.716 1 1 952 . 6 1 1 A 83 83 ILE C C 89 175.698 174.058 1.640 1 1 953 . 6 1 1 A 83 83 ILE CA C 89 59.363 59.682 -0.319 1 1 954 . 6 1 1 A 83 83 ILE CB C 89 39.633 41.577 -1.944 1 1 958 . 6 1 1 A 83 83 ILE N N 89 127.151 125.326 1.825 1 1 959 . 6 1 1 A 84 84 THR H H 90 8.656 8.441 0.215 1 1 960 . 6 1 1 A 84 84 THR HA H 90 4.203 4.640 -0.437 1 1 965 . 6 1 1 A 84 84 THR C C 90 172.890 173.949 -1.059 1 1 966 . 6 1 1 A 84 84 THR CA C 90 62.641 60.847 1.794 1 1 967 . 6 1 1 A 84 84 THR CB C 90 68.634 69.847 -1.213 1 1 969 . 6 1 1 A 84 84 THR N N 90 123.099 121.227 1.872 1 1 970 . 6 1 1 A 85 85 LEU H H 91 8.967 9.569 -0.602 1 1 971 . 6 1 1 A 85 85 LEU HA H 91 4.256 4.327 -0.071 1 1 980 . 6 1 1 A 85 85 LEU C C 91 177.371 176.998 0.373 1 1 981 . 6 1 1 A 85 85 LEU CA C 91 55.527 56.840 -1.313 1 1 982 . 6 1 1 A 85 85 LEU CB C 91 44.315 42.283 2.032 1 1 984 . 6 1 1 A 85 85 LEU N N 91 125.333 128.865 -3.532 1 1 985 . 6 1 1 A 86 86 GLU H H 92 7.503 7.912 -0.409 1 1 986 . 6 1 1 A 86 86 GLU HA H 92 5.026 5.236 -0.210 1 1 991 . 6 1 1 A 86 86 GLU C C 92 172.723 174.690 -1.967 1 1 992 . 6 1 1 A 86 86 GLU CA C 92 54.670 54.687 -0.017 1 1 993 . 6 1 1 A 86 86 GLU CB C 92 33.717 32.997 0.720 1 1 995 . 6 1 1 A 86 86 GLU N N 92 116.655 113.539 3.116 1 1 996 . 6 1 1 A 87 87 SER H H 93 8.954 8.618 0.336 1 1 997 . 6 1 1 A 87 87 SER HA H 93 4.245 5.868 -1.623 1 1 1000 . 6 1 1 A 87 87 SER C C 93 172.763 173.542 -0.779 1 1 1001 . 6 1 1 A 87 87 SER CA C 93 57.328 57.242 0.086 1 1 1002 . 6 1 1 A 87 87 SER CB C 93 65.493 66.732 -1.239 1 1 1003 . 6 1 1 A 87 87 SER N N 93 117.941 115.863 2.078 1 1 1004 . 6 1 1 A 88 88 GLY H H 94 6.932 8.293 -1.361 1 1 1005 . 6 1 1 A 88 88 GLY HA2 H 94 3.694 4.186 -0.492 1 1 1006 . 6 1 1 A 88 88 GLY HA3 H 94 3.694 4.197 -0.503 1 1 1007 . 6 1 1 A 88 88 GLY C C 94 171.117 171.677 -0.560 1 1 1008 . 6 1 1 A 88 88 GLY CA C 94 46.575 46.026 0.549 1 1 1009 . 6 1 1 A 88 88 GLY N N 94 108.625 109.912 -1.287 1 1 1010 . 6 1 1 A 89 89 GLU H H 95 9.669 8.396 1.273 1 1 1011 . 6 1 1 A 89 89 GLU HA H 95 5.642 4.664 0.978 1 1 1016 . 6 1 1 A 89 89 GLU C C 95 173.226 175.775 -2.549 1 1 1017 . 6 1 1 A 89 89 GLU CA C 95 54.786 55.415 -0.629 1 1 1018 . 6 1 1 A 89 89 GLU CB C 95 34.334 30.608 3.726 1 1 1020 . 6 1 1 A 89 89 GLU N N 95 128.231 121.390 6.841 1 1 1021 . 6 1 1 A 90 90 PHE H H 96 10.365 8.585 1.780 1 1 1022 . 6 1 1 A 90 90 PHE HA H 96 5.048 4.268 0.780 1 1 1029 . 6 1 1 A 90 90 PHE C C 96 173.039 174.078 -1.039 1 1 1030 . 6 1 1 A 90 90 PHE CA C 96 54.616 57.538 -2.922 1 1 1031 . 6 1 1 A 90 90 PHE CB C 96 42.090 38.978 3.112 1 1 1032 . 6 1 1 A 90 90 PHE N N 96 131.583 128.843 2.740 1 1 1033 . 6 1 1 A 91 91 GLN H H 97 8.685 8.499 0.186 1 1 1034 . 6 1 1 A 91 91 GLN HA H 97 4.959 4.735 0.224 1 1 1041 . 6 1 1 A 91 91 GLN C C 97 174.151 174.587 -0.436 1 1 1042 . 6 1 1 A 91 91 GLN CA C 97 53.174 54.497 -1.323 1 1 1043 . 6 1 1 A 91 91 GLN CB C 97 28.812 29.813 -1.001 1 1 1045 . 6 1 1 A 91 91 GLN N N 97 126.465 127.660 -1.195 1 1 1047 . 6 1 1 A 92 92 VAL H H 98 8.675 8.877 -0.202 1 1 1048 . 6 1 1 A 92 92 VAL HA H 98 4.569 4.343 0.226 1 1 1056 . 6 1 1 A 92 92 VAL C C 98 173.802 174.196 -0.394 1 1 1057 . 6 1 1 A 92 92 VAL CA C 98 59.715 61.202 -1.487 1 1 1058 . 6 1 1 A 92 92 VAL CB C 98 35.074 32.555 2.519 1 1 1061 . 6 1 1 A 92 92 VAL N N 98 118.841 126.616 -7.775 1 1 1062 . 6 1 1 A 93 93 TYR H H 99 8.896 9.204 -0.308 1 1 1063 . 6 1 1 A 93 93 TYR HA H 99 4.940 4.661 0.279 1 1 1070 . 6 1 1 A 93 93 TYR C C 99 173.330 174.827 -1.497 1 1 1071 . 6 1 1 A 93 93 TYR CA C 99 56.948 56.519 0.429 1 1 1072 . 6 1 1 A 93 93 TYR CB C 99 40.780 39.017 1.763 1 1 1073 . 6 1 1 A 93 93 TYR N N 99 127.563 129.460 -1.897 1 1 1074 . 6 1 1 A 94 94 LYS H H 100 5.813 9.321 -3.508 1 1 1075 . 6 1 1 A 94 94 LYS HA H 100 4.248 4.591 -0.343 1 1 1082 . 6 1 1 A 94 94 LYS CA C 100 55.660 56.619 -0.959 1 1 1083 . 6 1 1 A 94 94 LYS CB C 100 35.870 33.136 2.734 1 1 1084 . 6 1 1 A 94 94 LYS N N 100 128.378 127.393 0.985 1 1 1085 . 6 1 1 A 95 95 GLN H H 101 8.438 8.197 0.241 1 1 1086 . 6 1 1 A 95 95 GLN HA H 101 5.028 4.652 0.376 1 1 1091 . 6 1 1 A 95 95 GLN C C 101 174.080 175.729 -1.649 1 1 1092 . 6 1 1 A 95 95 GLN CA C 101 54.043 53.656 0.387 1 1 1093 . 6 1 1 A 95 95 GLN CB C 101 27.209 32.144 -4.935 1 1 1095 . 6 1 1 A 95 95 GLN N N 101 125.809 123.202 2.607 1 1 1096 . 6 1 1 A 96 96 SER H H 102 9.057 8.827 0.230 1 1 1097 . 6 1 1 A 96 96 SER HA H 102 3.041 4.014 -0.973 1 1 1100 . 6 1 1 A 96 96 SER CA C 102 62.985 61.173 1.812 1 1 1101 . 6 1 1 A 96 96 SER CB C 102 63.242 62.985 0.257 1 1 1102 . 6 1 1 A 96 96 SER N N 102 117.650 117.729 -0.079 1 1 1103 . 6 1 1 A 97 97 HIS H H 103 10.115 7.938 2.177 1 1 1104 . 6 1 1 A 97 97 HIS HA H 103 4.406 4.833 -0.427 1 1 1109 . 6 1 1 A 97 97 HIS CA C 103 53.809 55.711 -1.902 1 1 1110 . 6 1 1 A 97 97 HIS CB C 103 30.329 30.989 -0.660 1 1 1111 . 6 1 1 A 97 97 HIS N N 103 118.385 115.953 2.432 1 1 1112 . 6 1 1 A 98 98 SER H H 104 7.241 7.601 -0.360 1 1 1113 . 6 1 1 A 98 98 SER HA H 104 4.406 4.056 0.350 1 1 1116 . 6 1 1 A 98 98 SER CA C 104 56.712 56.280 0.432 1 1 1117 . 6 1 1 A 98 98 SER CB C 104 65.461 62.597 2.864 1 1 1118 . 6 1 1 A 98 98 SER N N 104 112.298 111.758 0.540 1 1 1119 . 6 1 1 A 99 99 ALA H H 105 8.418 7.203 1.215 1 1 1120 . 6 1 1 A 99 99 ALA HA H 105 4.753 4.833 -0.080 1 1 1124 . 6 1 1 A 99 99 ALA C C 105 173.181 177.187 -4.006 1 1 1125 . 6 1 1 A 99 99 ALA CA C 105 51.363 50.739 0.624 1 1 1126 . 6 1 1 A 99 99 ALA CB C 105 22.271 20.554 1.717 1 1 1127 . 6 1 1 A 99 99 ALA N N 105 116.790 124.313 -7.523 1 1 1128 . 6 1 1 A 100 100 LEU H H 106 8.376 8.528 -0.152 1 1 1129 . 6 1 1 A 100 100 LEU HA H 106 5.549 5.307 0.242 1 1 1139 . 6 1 1 A 100 100 LEU C C 106 175.338 174.931 0.407 1 1 1140 . 6 1 1 A 100 100 LEU CA C 106 53.753 52.890 0.863 1 1 1141 . 6 1 1 A 100 100 LEU CB C 106 46.393 46.049 0.344 1 1 1145 . 6 1 1 A 100 100 LEU N N 106 115.214 119.727 -4.513 1 1 1146 . 6 1 1 A 101 101 THR H H 107 8.685 8.454 0.231 1 1 1147 . 6 1 1 A 101 101 THR HA H 107 5.287 5.026 0.261 1 1 1152 . 6 1 1 A 101 101 THR C C 107 172.493 173.191 -0.698 1 1 1153 . 6 1 1 A 101 101 THR CA C 107 57.069 59.883 -2.814 1 1 1154 . 6 1 1 A 101 101 THR CB C 107 71.308 71.250 0.058 1 1 1156 . 6 1 1 A 101 101 THR N N 107 109.441 117.741 -8.300 1 1 1157 . 6 1 1 A 102 102 ALA H H 108 8.459 8.344 0.115 1 1 1158 . 6 1 1 A 102 102 ALA HA H 108 4.366 5.122 -0.756 1 1 1162 . 6 1 1 A 102 102 ALA C C 108 173.439 175.942 -2.503 1 1 1163 . 6 1 1 A 102 102 ALA CA C 108 51.015 50.841 0.174 1 1 1164 . 6 1 1 A 102 102 ALA CB C 108 23.424 23.539 -0.115 1 1 1165 . 6 1 1 A 102 102 ALA N N 108 120.716 126.107 -5.391 1 1 1166 . 6 1 1 A 103 103 PHE H H 109 8.510 8.750 -0.240 1 1 1167 . 6 1 1 A 103 103 PHE HA H 109 4.715 4.984 -0.269 1 1 1175 . 6 1 1 A 103 103 PHE C C 109 174.173 174.935 -0.762 1 1 1176 . 6 1 1 A 103 103 PHE CA C 109 56.640 56.200 0.440 1 1 1177 . 6 1 1 A 103 103 PHE CB C 109 41.926 41.453 0.473 1 1 1178 . 6 1 1 A 103 103 PHE N N 109 115.041 118.499 -3.458 1 1 1179 . 6 1 1 A 104 104 GLN H H 110 9.832 8.666 1.166 1 1 1180 . 6 1 1 A 104 104 GLN HA H 110 5.226 4.855 0.371 1 1 1187 . 6 1 1 A 104 104 GLN C C 110 175.186 174.309 0.877 1 1 1188 . 6 1 1 A 104 104 GLN CA C 110 53.213 54.608 -1.395 1 1 1189 . 6 1 1 A 104 104 GLN CB C 110 29.161 29.240 -0.079 1 1 1191 . 6 1 1 A 104 104 GLN N N 110 124.526 122.995 1.531 1 1 1193 . 6 1 1 A 105 105 THR H H 111 9.566 7.857 1.709 1 1 1194 . 6 1 1 A 105 105 THR HA H 111 4.186 4.314 -0.128 1 1 1199 . 6 1 1 A 105 105 THR C C 111 174.538 174.206 0.332 1 1 1200 . 6 1 1 A 105 105 THR CA C 111 66.408 63.050 3.358 1 1 1201 . 6 1 1 A 105 105 THR CB C 111 69.385 69.393 -0.008 1 1 1203 . 6 1 1 A 105 105 THR N N 111 126.760 118.838 7.922 1 1 1204 . 6 1 1 A 106 106 GLU H H 112 9.303 8.628 0.675 1 1 1205 . 6 1 1 A 106 106 GLU HA H 112 4.811 4.713 0.098 1 1 1210 . 6 1 1 A 106 106 GLU C C 112 177.397 175.689 1.708 1 1 1211 . 6 1 1 A 106 106 GLU CA C 112 56.227 56.368 -0.141 1 1 1212 . 6 1 1 A 106 106 GLU CB C 112 31.283 32.105 -0.822 1 1 1214 . 6 1 1 A 106 106 GLU N N 112 121.685 124.305 -2.620 1 1 1215 . 6 1 1 A 107 107 GLN H H 113 7.954 7.356 0.598 1 1 1216 . 6 1 1 A 107 107 GLN HA H 113 5.233 5.099 0.134 1 1 1221 . 6 1 1 A 107 107 GLN C C 113 173.999 173.981 0.018 1 1 1222 . 6 1 1 A 107 107 GLN CA C 113 53.837 54.403 -0.566 1 1 1223 . 6 1 1 A 107 107 GLN CB C 113 32.543 31.886 0.657 1 1 1225 . 6 1 1 A 107 107 GLN N N 113 117.612 119.313 -1.701 1 1 1226 . 6 1 1 A 108 108 ILE H H 114 8.969 8.877 0.092 1 1 1227 . 6 1 1 A 108 108 ILE HA H 114 4.907 5.148 -0.241 1 1 1237 . 6 1 1 A 108 108 ILE C C 114 174.089 173.822 0.267 1 1 1238 . 6 1 1 A 108 108 ILE CA C 114 58.954 59.454 -0.500 1 1 1239 . 6 1 1 A 108 108 ILE CB C 114 42.799 42.076 0.723 1 1 1243 . 6 1 1 A 108 108 ILE N N 114 115.049 125.658 -10.609 1 1 1244 . 6 1 1 A 109 109 GLN H H 115 7.421 8.796 -1.375 1 1 1245 . 6 1 1 A 109 109 GLN HA H 115 4.405 4.867 -0.462 1 1 1252 . 6 1 1 A 109 109 GLN C C 115 175.654 174.547 1.107 1 1 1253 . 6 1 1 A 109 109 GLN CA C 115 56.086 55.675 0.411 1 1 1254 . 6 1 1 A 109 109 GLN CB C 115 28.483 30.273 -1.790 1 1 1256 . 6 1 1 A 109 109 GLN N N 115 121.959 127.342 -5.383 1 1 1258 . 6 1 1 A 110 110 ASP H H 116 8.569 8.566 0.003 1 1 1259 . 6 1 1 A 110 110 ASP HA H 116 4.377 5.307 -0.930 1 1 1262 . 6 1 1 A 110 110 ASP C C 116 176.662 175.539 1.123 1 1 1263 . 6 1 1 A 110 110 ASP CA C 116 53.511 52.640 0.871 1 1 1264 . 6 1 1 A 110 110 ASP CB C 116 41.187 44.432 -3.245 1 1 1265 . 6 1 1 A 110 110 ASP N N 116 125.621 121.175 4.446 1 1 1266 . 6 1 1 A 111 111 SER H H 117 8.445 8.748 -0.303 1 1 1267 . 6 1 1 A 111 111 SER HA H 117 4.024 4.739 -0.715 1 1 1270 . 6 1 1 A 111 111 SER C C 117 174.783 174.898 -0.115 1 1 1271 . 6 1 1 A 111 111 SER CA C 117 60.782 58.100 2.682 1 1 1272 . 6 1 1 A 111 111 SER CB C 117 62.560 63.798 -1.238 1 1 1273 . 6 1 1 A 111 111 SER N N 117 120.732 119.651 1.081 1 1 1274 . 6 1 1 A 112 112 GLU H H 118 8.246 7.903 0.343 1 1 1275 . 6 1 1 A 112 112 GLU HA H 118 4.044 4.383 -0.339 1 1 1280 . 6 1 1 A 112 112 GLU C C 118 175.899 177.035 -1.136 1 1 1281 . 6 1 1 A 112 112 GLU CA C 118 56.016 57.944 -1.928 1 1 1282 . 6 1 1 A 112 112 GLU CB C 118 29.853 30.774 -0.921 1 1 1284 . 6 1 1 A 112 112 GLU N N 118 119.367 120.630 -1.263 1 1 1285 . 6 1 1 A 113 113 HIS H H 119 7.418 7.908 -0.490 1 1 1286 . 6 1 1 A 113 113 HIS HA H 119 4.607 4.753 -0.146 1 1 1291 . 6 1 1 A 113 113 HIS C C 119 173.527 174.794 -1.267 1 1 1292 . 6 1 1 A 113 113 HIS CA C 119 54.515 55.889 -1.374 1 1 1293 . 6 1 1 A 113 113 HIS CB C 119 28.667 30.063 -1.396 1 1 1294 . 6 1 1 A 113 113 HIS N N 119 117.287 119.651 -2.364 1 1 1295 . 6 1 1 A 114 114 SER H H 120 8.398 8.210 0.188 1 1 1296 . 6 1 1 A 114 114 SER HA H 120 4.183 4.204 -0.021 1 1 1299 . 6 1 1 A 114 114 SER C C 120 175.690 174.465 1.225 1 1 1300 . 6 1 1 A 114 114 SER CA C 120 59.149 59.462 -0.313 1 1 1301 . 6 1 1 A 114 114 SER CB C 120 62.820 61.938 0.882 1 1 1302 . 6 1 1 A 114 114 SER N N 120 116.771 113.171 3.600 1 1 1303 . 6 1 1 A 115 115 GLY H H 121 8.733 8.378 0.355 1 1 1304 . 6 1 1 A 115 115 GLY HA2 H 121 4.052 4.102 -0.050 1 1 1305 . 6 1 1 A 115 115 GLY HA3 H 121 3.724 4.114 -0.390 1 1 1306 . 6 1 1 A 115 115 GLY C C 121 173.540 173.606 -0.066 1 1 1307 . 6 1 1 A 115 115 GLY CA C 121 44.692 45.328 -0.636 1 1 1308 . 6 1 1 A 115 115 GLY N N 121 112.197 106.022 6.175 1 1 1309 . 6 1 1 A 116 116 LYS H H 122 7.796 7.737 0.059 1 1 1310 . 6 1 1 A 116 116 LYS HA H 122 4.465 4.947 -0.482 1 1 1317 . 6 1 1 A 116 116 LYS C C 122 175.090 174.656 0.434 1 1 1318 . 6 1 1 A 116 116 LYS CA C 122 55.122 54.225 0.897 1 1 1319 . 6 1 1 A 116 116 LYS CB C 122 33.861 36.678 -2.817 1 1 1322 . 6 1 1 A 116 116 LYS N N 122 120.212 115.149 5.063 1 1 1323 . 6 1 1 A 117 117 MET H H 123 8.348 9.031 -0.683 1 1 1324 . 6 1 1 A 117 117 MET HA H 123 5.082 5.294 -0.212 1 1 1332 . 6 1 1 A 117 117 MET C C 123 176.210 174.794 1.416 1 1 1333 . 6 1 1 A 117 117 MET CA C 123 52.928 53.212 -0.284 1 1 1334 . 6 1 1 A 117 117 MET CB C 123 33.841 36.729 -2.888 1 1 1337 . 6 1 1 A 117 117 MET N N 123 119.755 116.008 3.747 1 1 1338 . 6 1 1 A 118 118 VAL H H 124 9.242 8.802 0.440 1 1 1339 . 6 1 1 A 118 118 VAL HA H 124 4.469 4.972 -0.503 1 1 1347 . 6 1 1 A 118 118 VAL C C 124 173.967 173.961 0.006 1 1 1348 . 6 1 1 A 118 118 VAL CA C 124 59.056 59.042 0.014 1 1 1349 . 6 1 1 A 118 118 VAL CB C 124 34.376 36.029 -1.653 1 1 1351 . 6 1 1 A 118 118 VAL N N 124 118.546 112.499 6.047 1 1 1352 . 6 1 1 A 119 119 ALA H H 125 8.327 8.734 -0.407 1 1 1353 . 6 1 1 A 119 119 ALA HA H 125 4.624 4.969 -0.345 1 1 1357 . 6 1 1 A 119 119 ALA C C 125 177.165 175.851 1.314 1 1 1358 . 6 1 1 A 119 119 ALA CA C 125 52.043 50.835 1.208 1 1 1359 . 6 1 1 A 119 119 ALA CB C 125 18.232 19.830 -1.598 1 1 1360 . 6 1 1 A 119 119 ALA N N 125 125.947 124.717 1.230 1 1 1361 . 6 1 1 A 120 120 LYS H H 126 7.604 8.738 -1.134 1 1 1362 . 6 1 1 A 120 120 LYS HA H 126 4.046 4.763 -0.717 1 1 1371 . 6 1 1 A 120 120 LYS C C 126 172.631 175.851 -3.220 1 1 1372 . 6 1 1 A 120 120 LYS CA C 126 56.023 55.032 0.991 1 1 1373 . 6 1 1 A 120 120 LYS CB C 126 34.482 33.203 1.279 1 1 1377 . 6 1 1 A 120 120 LYS N N 126 126.149 123.414 2.735 1 1 1378 . 6 1 1 A 121 121 ARG H H 127 8.308 8.788 -0.480 1 1 1379 . 6 1 1 A 121 121 ARG HA H 127 4.901 4.599 0.302 1 1 1384 . 6 1 1 A 121 121 ARG C C 127 176.253 175.943 0.310 1 1 1385 . 6 1 1 A 121 121 ARG CA C 127 55.564 56.254 -0.690 1 1 1386 . 6 1 1 A 121 121 ARG CB C 127 28.273 29.441 -1.168 1 1 1388 . 6 1 1 A 121 121 ARG N N 127 122.760 124.851 -2.091 1 1 1389 . 6 1 1 A 122 122 GLN H H 128 7.529 8.226 -0.697 1 1 1390 . 6 1 1 A 122 122 GLN HA H 128 4.541 4.677 -0.136 1 1 1397 . 6 1 1 A 122 122 GLN C C 128 172.163 175.438 -3.275 1 1 1398 . 6 1 1 A 122 122 GLN CA C 128 54.218 55.363 -1.145 1 1 1399 . 6 1 1 A 122 122 GLN CB C 128 32.064 28.611 3.453 1 1 1401 . 6 1 1 A 122 122 GLN N N 128 121.022 120.972 0.050 1 1 1403 . 6 1 1 A 123 123 PHE H H 129 8.620 8.756 -0.136 1 1 1404 . 6 1 1 A 123 123 PHE HA H 129 6.040 4.960 1.080 1 1 1411 . 6 1 1 A 123 123 PHE C C 129 174.530 174.457 0.073 1 1 1412 . 6 1 1 A 123 123 PHE CA C 129 56.026 58.464 -2.438 1 1 1413 . 6 1 1 A 123 123 PHE CB C 129 42.143 39.848 2.295 1 1 1414 . 6 1 1 A 123 123 PHE N N 129 125.540 126.913 -1.373 1 1 1415 . 6 1 1 A 124 124 ARG H H 130 8.018 7.917 0.101 1 1 1416 . 6 1 1 A 124 124 ARG HA H 130 4.366 4.712 -0.346 1 1 1423 . 6 1 1 A 124 124 ARG C C 130 172.139 174.156 -2.017 1 1 1424 . 6 1 1 A 124 124 ARG CA C 130 53.422 53.659 -0.237 1 1 1425 . 6 1 1 A 124 124 ARG CB C 130 32.310 34.079 -1.769 1 1 1428 . 6 1 1 A 124 124 ARG N N 130 125.264 125.811 -0.547 1 1 1429 . 6 1 1 A 125 125 ILE H H 131 8.462 8.153 0.309 1 1 1430 . 6 1 1 A 125 125 ILE HA H 131 3.883 4.291 -0.408 1 1 1440 . 6 1 1 A 125 125 ILE C C 131 175.487 175.533 -0.046 1 1 1441 . 6 1 1 A 125 125 ILE CA C 131 58.339 61.052 -2.713 1 1 1442 . 6 1 1 A 125 125 ILE CB C 131 35.673 39.528 -3.855 1 1 1446 . 6 1 1 A 125 125 ILE N N 131 121.887 123.527 -1.640 1 1 1447 . 6 1 1 A 126 126 GLY H H 132 8.814 8.231 0.583 1 1 1448 . 6 1 1 A 126 126 GLY HA2 H 132 4.062 4.206 -0.144 1 1 1449 . 6 1 1 A 126 126 GLY HA3 H 132 4.062 4.209 -0.147 1 1 1450 . 6 1 1 A 126 126 GLY C C 132 171.583 172.791 -1.208 1 1 1451 . 6 1 1 A 126 126 GLY CA C 132 44.157 44.042 0.115 1 1 1452 . 6 1 1 A 126 126 GLY N N 132 115.675 115.136 0.539 1 1 1453 . 6 1 1 A 127 127 ASP H H 133 7.914 8.656 -0.742 1 1 1454 . 6 1 1 A 127 127 ASP HA H 133 4.584 4.705 -0.121 1 1 1457 . 6 1 1 A 127 127 ASP C C 133 174.132 175.907 -1.775 1 1 1458 . 6 1 1 A 127 127 ASP CA C 133 54.822 55.085 -0.263 1 1 1459 . 6 1 1 A 127 127 ASP CB C 133 45.407 41.584 3.823 1 1 1460 . 6 1 1 A 127 127 ASP N N 133 123.737 119.282 4.455 1 1 1461 . 6 1 1 A 128 128 ILE H H 134 8.258 8.770 -0.512 1 1 1462 . 6 1 1 A 128 128 ILE HA H 134 4.392 4.454 -0.062 1 1 1472 . 6 1 1 A 128 128 ILE C C 134 174.799 175.515 -0.716 1 1 1473 . 6 1 1 A 128 128 ILE CA C 134 61.596 60.182 1.414 1 1 1474 . 6 1 1 A 128 128 ILE CB C 134 37.549 38.455 -0.906 1 1 1478 . 6 1 1 A 128 128 ILE N N 134 119.105 123.831 -4.726 1 1 1479 . 6 1 1 A 129 129 ALA H H 135 8.607 8.782 -0.175 1 1 1480 . 6 1 1 A 129 129 ALA HA H 135 4.757 4.853 -0.096 1 1 1484 . 6 1 1 A 129 129 ALA C C 135 173.358 176.960 -3.602 1 1 1485 . 6 1 1 A 129 129 ALA CA C 135 50.608 51.837 -1.229 1 1 1486 . 6 1 1 A 129 129 ALA CB C 135 23.348 20.185 3.163 1 1 1487 . 6 1 1 A 129 129 ALA N N 135 129.336 131.548 -2.212 1 1 1488 . 6 1 1 A 130 130 GLY H H 136 7.514 8.491 -0.977 1 1 1489 . 6 1 1 A 130 130 GLY HA2 H 136 3.551 4.213 -0.662 1 1 1490 . 6 1 1 A 130 130 GLY HA3 H 136 4.422 4.321 0.101 1 1 1491 . 6 1 1 A 130 130 GLY C C 136 172.609 172.902 -0.293 1 1 1492 . 6 1 1 A 130 130 GLY CA C 136 44.315 45.337 -1.022 1 1 1493 . 6 1 1 A 130 130 GLY N N 136 101.232 107.543 -6.311 1 1 1494 . 6 1 1 A 131 131 GLU H H 137 8.225 8.199 0.026 1 1 1495 . 6 1 1 A 131 131 GLU HA H 137 4.540 4.307 0.233 1 1 1500 . 6 1 1 A 131 131 GLU C C 137 174.864 175.873 -1.009 1 1 1501 . 6 1 1 A 131 131 GLU CA C 137 53.120 55.474 -2.354 1 1 1502 . 6 1 1 A 131 131 GLU CB C 137 28.254 28.109 0.145 1 1 1504 . 6 1 1 A 131 131 GLU N N 137 121.002 122.773 -1.771 1 1 1505 . 6 1 1 A 132 132 HIS H H 138 8.054 7.358 0.696 1 1 1506 . 6 1 1 A 132 132 HIS HA H 138 4.771 4.521 0.250 1 1 1511 . 6 1 1 A 132 132 HIS C C 138 175.411 174.439 0.972 1 1 1512 . 6 1 1 A 132 132 HIS CA C 138 57.942 55.561 2.381 1 1 1513 . 6 1 1 A 132 132 HIS CB C 138 27.710 29.702 -1.992 1 1 1514 . 6 1 1 A 132 132 HIS N N 138 124.204 121.065 3.139 1 1 1515 . 6 1 1 A 133 133 THR H H 139 9.056 8.733 0.323 1 1 1516 . 6 1 1 A 133 133 THR HA H 139 3.864 4.654 -0.790 1 1 1521 . 6 1 1 A 133 133 THR C C 139 174.178 173.491 0.687 1 1 1522 . 6 1 1 A 133 133 THR CA C 139 63.225 61.513 1.712 1 1 1523 . 6 1 1 A 133 133 THR CB C 139 68.127 69.079 -0.952 1 1 1525 . 6 1 1 A 133 133 THR N N 139 125.345 118.434 6.911 1 1 1526 . 6 1 1 A 134 134 SER H H 140 8.834 8.307 0.527 1 1 1527 . 6 1 1 A 134 134 SER HA H 140 4.560 4.913 -0.353 1 1 1530 . 6 1 1 A 134 134 SER C C 140 176.713 175.188 1.525 1 1 1531 . 6 1 1 A 134 134 SER CA C 140 57.961 57.446 0.515 1 1 1532 . 6 1 1 A 134 134 SER CB C 140 63.030 64.314 -1.284 1 1 1533 . 6 1 1 A 134 134 SER N N 140 121.791 117.381 4.410 1 1 1534 . 6 1 1 A 135 135 PHE H H 141 9.597 8.037 1.560 1 1 1535 . 6 1 1 A 135 135 PHE HA H 141 3.953 4.285 -0.332 1 1 1542 . 6 1 1 A 135 135 PHE C C 141 175.375 177.970 -2.595 1 1 1543 . 6 1 1 A 135 135 PHE CA C 141 61.339 61.566 -0.227 1 1 1544 . 6 1 1 A 135 135 PHE CB C 141 39.394 39.190 0.204 1 1 1545 . 6 1 1 A 135 135 PHE N N 141 128.822 121.831 6.991 1 1 1546 . 6 1 1 A 136 136 ASP H H 142 8.017 8.112 -0.095 1 1 1547 . 6 1 1 A 136 136 ASP HA H 142 4.352 4.283 0.069 1 1 1550 . 6 1 1 A 136 136 ASP C C 142 175.358 176.871 -1.513 1 1 1551 . 6 1 1 A 136 136 ASP CA C 142 55.223 56.303 -1.080 1 1 1552 . 6 1 1 A 136 136 ASP CB C 142 40.968 40.423 0.545 1 1 1553 . 6 1 1 A 136 136 ASP N N 142 113.108 118.755 -5.647 1 1 1554 . 6 1 1 A 137 137 LYS H H 143 7.340 7.505 -0.165 1 1 1555 . 6 1 1 A 137 137 LYS HA H 143 4.439 4.436 0.003 1 1 1564 . 6 1 1 A 137 137 LYS C C 143 175.571 176.485 -0.914 1 1 1565 . 6 1 1 A 137 137 LYS CA C 143 54.096 56.355 -2.259 1 1 1566 . 6 1 1 A 137 137 LYS CB C 143 32.545 33.211 -0.666 1 1 1570 . 6 1 1 A 137 137 LYS N N 143 117.716 117.026 0.690 1 1 1571 . 6 1 1 A 138 138 LEU H H 144 6.698 7.568 -0.870 1 1 1572 . 6 1 1 A 138 138 LEU HA H 144 3.903 4.585 -0.682 1 1 1582 . 6 1 1 A 138 138 LEU C C 144 174.123 175.405 -1.282 1 1 1583 . 6 1 1 A 138 138 LEU CA C 144 52.843 53.173 -0.330 1 1 1584 . 6 1 1 A 138 138 LEU CB C 144 40.993 41.752 -0.759 1 1 1588 . 6 1 1 A 138 138 LEU N N 144 120.536 121.352 -0.816 1 1 1589 . 6 1 1 A 139 139 PRO HA H 145 4.040 4.752 -0.712 1 1 1596 . 6 1 1 A 139 139 PRO C C 145 172.700 176.400 -3.700 1 1 1597 . 6 1 1 A 139 139 PRO CA C 145 62.654 62.430 0.224 1 1 1598 . 6 1 1 A 139 139 PRO CB C 145 30.086 32.519 -2.433 1 1 1601 . 6 1 1 A 140 140 GLU H H 146 8.343 8.692 -0.349 1 1 1602 . 6 1 1 A 140 140 GLU HA H 146 3.970 4.721 -0.751 1 1 1607 . 6 1 1 A 140 140 GLU C C 146 176.009 175.729 0.280 1 1 1608 . 6 1 1 A 140 140 GLU CA C 146 56.119 55.693 0.426 1 1 1609 . 6 1 1 A 140 140 GLU CB C 146 30.086 29.378 0.708 1 1 1611 . 6 1 1 A 140 140 GLU N N 146 119.063 121.193 -2.130 1 1 1612 . 6 1 1 A 141 141 GLY H H 147 7.241 7.787 -0.546 1 1 1613 . 6 1 1 A 141 141 GLY HA2 H 147 3.918 4.180 -0.262 1 1 1614 . 6 1 1 A 141 141 GLY HA3 H 147 3.814 4.208 -0.394 1 1 1615 . 6 1 1 A 141 141 GLY C C 147 171.657 172.714 -1.057 1 1 1616 . 6 1 1 A 141 141 GLY CA C 147 43.929 45.740 -1.811 1 1 1617 . 6 1 1 A 141 141 GLY N N 147 104.270 109.293 -5.023 1 1 1618 . 6 1 1 A 142 142 GLY H H 148 8.241 8.515 -0.274 1 1 1619 . 6 1 1 A 142 142 GLY HA2 H 148 3.710 4.076 -0.366 1 1 1620 . 6 1 1 A 142 142 GLY HA3 H 148 4.350 4.127 0.223 1 1 1621 . 6 1 1 A 142 142 GLY C C 148 171.767 171.839 -0.072 1 1 1622 . 6 1 1 A 142 142 GLY CA C 148 43.649 44.034 -0.385 1 1 1623 . 6 1 1 A 142 142 GLY N N 148 106.996 108.380 -1.384 1 1 1624 . 6 1 1 A 143 143 ARG H H 149 8.214 8.307 -0.093 1 1 1625 . 6 1 1 A 143 143 ARG HA H 149 5.376 5.399 -0.023 1 1 1632 . 6 1 1 A 143 143 ARG C C 149 174.981 174.205 0.776 1 1 1633 . 6 1 1 A 143 143 ARG CA C 149 54.235 54.498 -0.263 1 1 1634 . 6 1 1 A 143 143 ARG CB C 149 32.988 34.036 -1.048 1 1 1637 . 6 1 1 A 143 143 ARG N N 149 117.762 120.408 -2.646 1 1 1638 . 6 1 1 A 144 144 ALA H H 150 9.030 8.816 0.214 1 1 1639 . 6 1 1 A 144 144 ALA HA H 150 4.730 4.959 -0.229 1 1 1643 . 6 1 1 A 144 144 ALA C C 150 175.012 176.226 -1.214 1 1 1644 . 6 1 1 A 144 144 ALA CA C 150 50.732 50.871 -0.139 1 1 1645 . 6 1 1 A 144 144 ALA CB C 150 23.448 22.461 0.987 1 1 1646 . 6 1 1 A 144 144 ALA N N 150 126.630 126.760 -0.130 1 1 1647 . 6 1 1 A 145 145 THR H H 151 8.560 8.921 -0.361 1 1 1648 . 6 1 1 A 145 145 THR HA H 151 4.846 4.796 0.050 1 1 1653 . 6 1 1 A 145 145 THR C C 151 171.870 173.512 -1.642 1 1 1654 . 6 1 1 A 145 145 THR CA C 151 61.997 60.814 1.183 1 1 1655 . 6 1 1 A 145 145 THR CB C 151 69.746 68.718 1.028 1 1 1657 . 6 1 1 A 145 145 THR N N 151 117.942 118.522 -0.580 1 1 1658 . 6 1 1 A 146 146 TYR H H 152 10.008 8.698 1.310 1 1 1659 . 6 1 1 A 146 146 TYR HA H 152 4.580 4.687 -0.107 1 1 1666 . 6 1 1 A 146 146 TYR C C 152 174.627 175.775 -1.148 1 1 1667 . 6 1 1 A 146 146 TYR CA C 152 55.835 58.688 -2.853 1 1 1668 . 6 1 1 A 146 146 TYR CB C 152 40.094 39.238 0.856 1 1 1669 . 6 1 1 A 146 146 TYR N N 152 126.097 126.043 0.054 1 1 1670 . 6 1 1 A 147 147 ARG H H 153 8.860 8.890 -0.030 1 1 1671 . 6 1 1 A 147 147 ARG HA H 153 5.404 4.972 0.432 1 1 1678 . 6 1 1 A 147 147 ARG C C 153 177.446 175.623 1.823 1 1 1679 . 6 1 1 A 147 147 ARG CA C 153 54.024 54.834 -0.810 1 1 1680 . 6 1 1 A 147 147 ARG CB C 153 33.539 32.972 0.567 1 1 1683 . 6 1 1 A 147 147 ARG N N 153 121.042 123.360 -2.318 1 1 1684 . 6 1 1 A 148 148 GLY H H 154 8.916 9.445 -0.529 1 1 1685 . 6 1 1 A 148 148 GLY HA2 H 154 4.816 4.318 0.498 1 1 1686 . 6 1 1 A 148 148 GLY HA3 H 154 4.422 4.338 0.084 1 1 1687 . 6 1 1 A 148 148 GLY C C 154 173.831 171.615 2.216 1 1 1688 . 6 1 1 A 148 148 GLY CA C 154 46.752 43.904 2.848 1 1 1689 . 6 1 1 A 148 148 GLY N N 154 114.154 112.735 1.419 1 1 1690 . 6 1 1 A 149 149 THR H H 155 9.063 9.300 -0.237 1 1 1691 . 6 1 1 A 149 149 THR HA H 155 4.711 5.193 -0.482 1 1 1696 . 6 1 1 A 149 149 THR C C 155 170.370 173.907 -3.537 1 1 1697 . 6 1 1 A 149 149 THR CA C 155 62.316 61.641 0.675 1 1 1698 . 6 1 1 A 149 149 THR CB C 155 72.596 71.035 1.561 1 1 1700 . 6 1 1 A 149 149 THR N N 155 126.410 117.694 8.716 1 1 1701 . 6 1 1 A 150 150 ALA H H 156 7.091 9.146 -2.055 1 1 1702 . 6 1 1 A 150 150 ALA HA H 156 5.289 5.503 -0.214 1 1 1706 . 6 1 1 A 150 150 ALA C C 156 173.965 176.592 -2.627 1 1 1707 . 6 1 1 A 150 150 ALA CA C 156 48.843 50.537 -1.694 1 1 1708 . 6 1 1 A 150 150 ALA CB C 156 22.573 22.195 0.378 1 1 1709 . 6 1 1 A 150 150 ALA N N 156 127.540 128.972 -1.432 1 1 1710 . 6 1 1 A 151 151 PHE H H 157 8.536 8.359 0.177 1 1 1711 . 6 1 1 A 151 151 PHE HA H 157 5.442 5.570 -0.128 1 1 1718 . 6 1 1 A 151 151 PHE C C 157 171.891 173.691 -1.800 1 1 1719 . 6 1 1 A 151 151 PHE CA C 157 53.282 55.440 -2.158 1 1 1720 . 6 1 1 A 151 151 PHE CB C 157 41.020 41.958 -0.938 1 1 1721 . 6 1 1 A 151 151 PHE N N 157 117.013 115.797 1.216 1 1 1722 . 6 1 1 A 152 152 GLY H H 158 8.548 8.629 -0.081 1 1 1723 . 6 1 1 A 152 152 GLY HA2 H 158 4.003 3.806 0.197 1 1 1724 . 6 1 1 A 152 152 GLY HA3 H 158 3.124 4.233 -1.109 1 1 1725 . 6 1 1 A 152 152 GLY C C 158 173.148 174.436 -1.288 1 1 1726 . 6 1 1 A 152 152 GLY CA C 158 42.630 44.850 -2.220 1 1 1727 . 6 1 1 A 152 152 GLY N N 158 108.356 108.119 0.237 1 1 1728 . 6 1 1 A 153 153 SER H H 159 7.610 8.294 -0.684 1 1 1729 . 6 1 1 A 153 153 SER HA H 159 3.421 4.002 -0.581 1 1 1732 . 6 1 1 A 153 153 SER C C 159 176.057 174.858 1.199 1 1 1733 . 6 1 1 A 153 153 SER CA C 159 58.787 59.589 -0.802 1 1 1734 . 6 1 1 A 153 153 SER CB C 159 61.886 62.800 -0.914 1 1 1735 . 6 1 1 A 153 153 SER N N 159 115.173 115.929 -0.756 1 1 1736 . 6 1 1 A 154 154 ASP H H 160 9.894 8.205 1.689 1 1 1737 . 6 1 1 A 154 154 ASP HA H 160 4.168 4.432 -0.264 1 1 1740 . 6 1 1 A 154 154 ASP C C 160 175.191 176.392 -1.201 1 1 1741 . 6 1 1 A 154 154 ASP CA C 160 55.398 54.745 0.653 1 1 1742 . 6 1 1 A 154 154 ASP CB C 160 39.212 40.370 -1.158 1 1 1743 . 6 1 1 A 154 154 ASP N N 160 124.828 118.528 6.300 1 1 1744 . 6 1 1 A 155 155 ASP H H 161 7.520 7.665 -0.145 1 1 1745 . 6 1 1 A 155 155 ASP HA H 161 4.568 4.926 -0.358 1 1 1748 . 6 1 1 A 155 155 ASP C C 161 172.658 175.973 -3.315 1 1 1749 . 6 1 1 A 155 155 ASP CA C 161 54.342 55.602 -1.260 1 1 1750 . 6 1 1 A 155 155 ASP CB C 161 40.619 42.747 -2.128 1 1 1751 . 6 1 1 A 155 155 ASP N N 161 116.749 119.292 -2.543 1 1 1752 . 6 1 1 A 156 156 ALA H H 162 8.544 7.885 0.659 1 1 1753 . 6 1 1 A 156 156 ALA HA H 162 4.916 4.110 0.806 1 1 1757 . 6 1 1 A 156 156 ALA C C 162 177.708 177.569 0.139 1 1 1758 . 6 1 1 A 156 156 ALA CA C 162 49.878 53.438 -3.560 1 1 1759 . 6 1 1 A 156 156 ALA CB C 162 17.473 17.619 -0.146 1 1 1760 . 6 1 1 A 156 156 ALA N N 162 128.246 120.774 7.472 1 1 1761 . 6 1 1 A 157 157 GLY H H 163 8.406 8.475 -0.069 1 1 1762 . 6 1 1 A 157 157 GLY HA2 H 163 4.286 4.159 0.127 1 1 1763 . 6 1 1 A 157 157 GLY HA3 H 163 3.894 4.175 -0.281 1 1 1764 . 6 1 1 A 157 157 GLY C C 163 174.344 174.429 -0.085 1 1 1765 . 6 1 1 A 157 157 GLY CA C 163 45.049 45.550 -0.501 1 1 1766 . 6 1 1 A 157 157 GLY N N 163 106.545 103.866 2.679 1 1 1767 . 6 1 1 A 158 158 GLY H H 164 7.128 8.287 -1.159 1 1 1768 . 6 1 1 A 158 158 GLY HA2 H 164 4.118 4.020 0.098 1 1 1769 . 6 1 1 A 158 158 GLY HA3 H 164 3.641 4.045 -0.404 1 1 1770 . 6 1 1 A 158 158 GLY C C 164 173.903 173.029 0.874 1 1 1771 . 6 1 1 A 158 158 GLY CA C 164 45.225 45.363 -0.138 1 1 1772 . 6 1 1 A 158 158 GLY N N 164 106.404 107.909 -1.505 1 1 1773 . 6 1 1 A 159 159 LYS H H 165 9.647 8.244 1.403 1 1 1774 . 6 1 1 A 159 159 LYS HA H 165 5.052 5.068 -0.016 1 1 1781 . 6 1 1 A 159 159 LYS C C 165 174.390 175.120 -0.730 1 1 1782 . 6 1 1 A 159 159 LYS CA C 165 53.501 54.706 -1.205 1 1 1783 . 6 1 1 A 159 159 LYS CB C 165 34.622 36.893 -2.271 1 1 1786 . 6 1 1 A 159 159 LYS N N 165 123.930 121.280 2.650 1 1 1787 . 6 1 1 A 160 160 LEU H H 166 7.706 8.638 -0.932 1 1 1788 . 6 1 1 A 160 160 LEU HA H 166 4.873 5.267 -0.394 1 1 1798 . 6 1 1 A 160 160 LEU C C 166 174.825 174.701 0.124 1 1 1799 . 6 1 1 A 160 160 LEU CA C 166 52.677 53.689 -1.012 1 1 1800 . 6 1 1 A 160 160 LEU CB C 166 44.629 46.057 -1.428 1 1 1804 . 6 1 1 A 160 160 LEU N N 166 126.271 119.496 6.775 1 1 1805 . 6 1 1 A 161 161 THR H H 167 8.374 8.965 -0.591 1 1 1806 . 6 1 1 A 161 161 THR HA H 167 4.949 4.889 0.060 1 1 1811 . 6 1 1 A 161 161 THR C C 167 172.102 172.996 -0.894 1 1 1812 . 6 1 1 A 161 161 THR CA C 167 61.761 62.476 -0.715 1 1 1813 . 6 1 1 A 161 161 THR CB C 167 70.169 70.244 -0.075 1 1 1815 . 6 1 1 A 161 161 THR N N 167 122.977 116.953 6.024 1 1 1816 . 6 1 1 A 162 162 TYR H H 168 9.174 9.033 0.141 1 1 1817 . 6 1 1 A 162 162 TYR HA H 168 4.766 5.511 -0.745 1 1 1824 . 6 1 1 A 162 162 TYR C C 168 172.249 173.987 -1.738 1 1 1825 . 6 1 1 A 162 162 TYR CA C 168 58.162 55.866 2.296 1 1 1826 . 6 1 1 A 162 162 TYR CB C 168 43.746 41.446 2.300 1 1 1827 . 6 1 1 A 162 162 TYR N N 168 128.112 126.911 1.201 1 1 1828 . 6 1 1 A 163 163 THR H H 169 8.711 8.906 -0.195 1 1 1829 . 6 1 1 A 163 163 THR HA H 169 5.402 4.986 0.416 1 1 1834 . 6 1 1 A 163 163 THR C C 169 172.520 172.939 -0.419 1 1 1835 . 6 1 1 A 163 163 THR CA C 169 60.804 61.512 -0.708 1 1 1836 . 6 1 1 A 163 163 THR CB C 169 70.818 69.955 0.863 1 1 1838 . 6 1 1 A 163 163 THR N N 169 124.549 123.080 1.469 1 1 1839 . 6 1 1 A 164 164 ILE H H 170 8.927 9.262 -0.335 1 1 1840 . 6 1 1 A 164 164 ILE HA H 170 4.313 4.946 -0.633 1 1 1850 . 6 1 1 A 164 164 ILE C C 170 173.105 174.134 -1.029 1 1 1851 . 6 1 1 A 164 164 ILE CA C 170 60.595 60.035 0.560 1 1 1852 . 6 1 1 A 164 164 ILE CB C 170 41.274 41.054 0.220 1 1 1856 . 6 1 1 A 164 164 ILE N N 170 123.685 128.082 -4.397 1 1 1857 . 6 1 1 A 165 165 ASP H H 171 8.372 8.586 -0.214 1 1 1858 . 6 1 1 A 165 165 ASP HA H 171 4.750 4.822 -0.072 1 1 1861 . 6 1 1 A 165 165 ASP C C 171 177.213 176.008 1.205 1 1 1862 . 6 1 1 A 165 165 ASP CA C 171 51.669 54.278 -2.609 1 1 1863 . 6 1 1 A 165 165 ASP CB C 171 41.730 39.705 2.025 1 1 1864 . 6 1 1 A 165 165 ASP N N 171 125.168 129.619 -4.451 1 1 1865 . 6 1 1 A 166 166 PHE H H 172 8.968 8.131 0.837 1 1 1866 . 6 1 1 A 166 166 PHE HA H 172 3.879 4.174 -0.295 1 1 1874 . 6 1 1 A 166 166 PHE C C 172 176.940 178.215 -1.275 1 1 1875 . 6 1 1 A 166 166 PHE CA C 172 61.543 60.225 1.318 1 1 1876 . 6 1 1 A 166 166 PHE CB C 172 37.424 38.641 -1.217 1 1 1877 . 6 1 1 A 166 166 PHE N N 172 123.597 122.005 1.592 1 1 1878 . 6 1 1 A 167 167 ALA H H 173 8.266 8.048 0.218 1 1 1879 . 6 1 1 A 167 167 ALA HA H 173 4.322 4.251 0.071 1 1 1883 . 6 1 1 A 167 167 ALA C C 173 178.888 177.998 0.890 1 1 1884 . 6 1 1 A 167 167 ALA CA C 173 54.458 54.009 0.449 1 1 1885 . 6 1 1 A 167 167 ALA CB C 173 17.591 18.383 -0.792 1 1 1886 . 6 1 1 A 167 167 ALA N N 173 122.113 121.478 0.635 1 1 1887 . 6 1 1 A 168 168 ALA H H 174 7.405 7.821 -0.416 1 1 1888 . 6 1 1 A 168 168 ALA HA H 174 4.096 4.463 -0.367 1 1 1892 . 6 1 1 A 168 168 ALA C C 174 176.605 176.597 0.008 1 1 1893 . 6 1 1 A 168 168 ALA CA C 174 51.225 51.257 -0.032 1 1 1894 . 6 1 1 A 168 168 ALA CB C 174 18.307 19.745 -1.438 1 1 1895 . 6 1 1 A 168 168 ALA N N 174 118.760 119.973 -1.213 1 1 1896 . 6 1 1 A 169 169 LYS H H 175 7.906 7.703 0.203 1 1 1897 . 6 1 1 A 169 169 LYS HA H 175 3.391 3.688 -0.297 1 1 1904 . 6 1 1 A 169 169 LYS C C 175 174.608 175.032 -0.424 1 1 1905 . 6 1 1 A 169 169 LYS CA C 175 57.049 57.404 -0.355 1 1 1906 . 6 1 1 A 169 169 LYS CB C 175 30.051 29.272 0.779 1 1 1909 . 6 1 1 A 169 169 LYS N N 175 114.394 114.924 -0.530 1 1 1910 . 6 1 1 A 170 170 GLN H H 176 7.629 7.454 0.175 1 1 1911 . 6 1 1 A 170 170 GLN HA H 176 5.414 4.541 0.873 1 1 1918 . 6 1 1 A 170 170 GLN C C 176 174.325 174.972 -0.647 1 1 1919 . 6 1 1 A 170 170 GLN CA C 176 54.393 55.185 -0.792 1 1 1920 . 6 1 1 A 170 170 GLN CB C 176 34.771 29.452 5.319 1 1 1922 . 6 1 1 A 170 170 GLN N N 176 116.433 118.117 -1.684 1 1 1924 . 6 1 1 A 171 171 GLY H H 177 8.854 9.219 -0.365 1 1 1925 . 6 1 1 A 171 171 GLY HA2 H 177 5.205 3.916 1.289 1 1 1926 . 6 1 1 A 171 171 GLY HA3 H 177 3.526 4.030 -0.504 1 1 1927 . 6 1 1 A 171 171 GLY C C 177 170.842 172.270 -1.428 1 1 1928 . 6 1 1 A 171 171 GLY CA C 177 44.621 45.502 -0.881 1 1 1929 . 6 1 1 A 171 171 GLY N N 177 110.189 112.738 -2.549 1 1 1930 . 6 1 1 A 172 172 ASN H H 178 7.637 8.831 -1.194 1 1 1931 . 6 1 1 A 172 172 ASN HA H 178 4.224 5.360 -1.136 1 1 1936 . 6 1 1 A 172 172 ASN C C 178 171.546 174.345 -2.799 1 1 1937 . 6 1 1 A 172 172 ASN CA C 178 53.729 50.992 2.737 1 1 1938 . 6 1 1 A 172 172 ASN CB C 178 41.543 41.054 0.489 1 1 1939 . 6 1 1 A 172 172 ASN N N 178 112.667 123.981 -11.314 1 1 1941 . 6 1 1 A 173 173 GLY H H 179 9.103 8.353 0.750 1 1 1942 . 6 1 1 A 173 173 GLY HA2 H 179 4.491 4.307 0.184 1 1 1943 . 6 1 1 A 173 173 GLY HA3 H 179 4.084 4.344 -0.260 1 1 1944 . 6 1 1 A 173 173 GLY C C 179 172.400 171.446 0.954 1 1 1945 . 6 1 1 A 173 173 GLY CA C 179 47.199 46.101 1.098 1 1 1946 . 6 1 1 A 173 173 GLY N N 179 106.686 108.409 -1.723 1 1 1947 . 6 1 1 A 174 174 LYS H H 180 9.179 8.431 0.748 1 1 1948 . 6 1 1 A 174 174 LYS HA H 180 4.821 4.984 -0.163 1 1 1957 . 6 1 1 A 174 174 LYS C C 180 172.518 174.490 -1.972 1 1 1958 . 6 1 1 A 174 174 LYS CA C 180 56.617 55.176 1.441 1 1 1959 . 6 1 1 A 174 174 LYS CB C 180 35.373 35.857 -0.484 1 1 1963 . 6 1 1 A 174 174 LYS N N 180 121.816 116.362 5.454 1 1 1964 . 6 1 1 A 175 175 ILE H H 181 8.351 8.953 -0.602 1 1 1965 . 6 1 1 A 175 175 ILE HA H 181 4.581 4.864 -0.283 1 1 1973 . 6 1 1 A 175 175 ILE C C 181 173.997 174.980 -0.983 1 1 1974 . 6 1 1 A 175 175 ILE CA C 181 60.490 59.598 0.892 1 1 1975 . 6 1 1 A 175 175 ILE CB C 181 39.573 39.674 -0.101 1 1 1978 . 6 1 1 A 175 175 ILE N N 181 123.400 123.810 -0.410 1 1 1979 . 6 1 1 A 176 176 GLU H H 182 8.492 9.240 -0.748 1 1 1980 . 6 1 1 A 176 176 GLU HA H 182 4.471 4.590 -0.119 1 1 1985 . 6 1 1 A 176 176 GLU C C 182 175.392 175.609 -0.217 1 1 1986 . 6 1 1 A 176 176 GLU CA C 182 53.410 55.748 -2.338 1 1 1987 . 6 1 1 A 176 176 GLU CB C 182 35.479 32.813 2.666 1 1 1989 . 6 1 1 A 176 176 GLU N N 182 122.287 125.567 -3.280 1 1 1990 . 6 1 1 A 177 177 HIS H H 183 8.431 8.893 -0.462 1 1 1991 . 6 1 1 A 177 177 HIS HA H 183 3.975 4.237 -0.262 1 1 1996 . 6 1 1 A 177 177 HIS C C 183 176.008 174.661 1.347 1 1 1997 . 6 1 1 A 177 177 HIS CA C 183 57.533 57.240 0.293 1 1 1998 . 6 1 1 A 177 177 HIS CB C 183 27.362 29.162 -1.800 1 1 1999 . 6 1 1 A 177 177 HIS N N 183 109.605 122.413 -12.808 1 1 2000 . 6 1 1 A 178 178 LEU H H 184 9.603 7.744 1.859 1 1 2001 . 6 1 1 A 178 178 LEU HA H 184 4.276 4.277 -0.001 1 1 2011 . 6 1 1 A 178 178 LEU C C 184 178.805 177.891 0.914 1 1 2012 . 6 1 1 A 178 178 LEU CA C 184 56.034 54.297 1.737 1 1 2013 . 6 1 1 A 178 178 LEU CB C 184 39.882 41.940 -2.058 1 1 2017 . 6 1 1 A 178 178 LEU N N 184 124.374 121.992 2.382 1 1 2018 . 6 1 1 A 179 179 LYS H H 185 10.002 8.855 1.147 1 1 2019 . 6 1 1 A 179 179 LYS HA H 185 3.682 4.051 -0.369 1 1 2028 . 6 1 1 A 179 179 LYS C C 185 177.660 176.195 1.465 1 1 2029 . 6 1 1 A 179 179 LYS CA C 185 57.721 58.844 -1.123 1 1 2030 . 6 1 1 A 179 179 LYS CB C 185 31.949 32.079 -0.130 1 1 2034 . 6 1 1 A 179 179 LYS N N 185 122.880 121.095 1.785 1 1 2035 . 6 1 1 A 180 180 SER H H 186 7.262 7.821 -0.559 1 1 2036 . 6 1 1 A 180 180 SER HA H 186 4.672 4.984 -0.312 1 1 2039 . 6 1 1 A 180 180 SER C C 186 173.086 173.742 -0.656 1 1 2040 . 6 1 1 A 180 180 SER CA C 186 54.576 54.986 -0.410 1 1 2041 . 6 1 1 A 180 180 SER CB C 186 62.715 64.998 -2.283 1 1 2042 . 6 1 1 A 180 180 SER N N 186 115.187 115.438 -0.251 1 1 2043 . 6 1 1 A 181 181 PRO HA H 187 3.956 4.485 -0.529 1 1 2050 . 6 1 1 A 181 181 PRO CA C 187 65.359 64.676 0.683 1 1 2051 . 6 1 1 A 181 181 PRO CB C 187 32.061 32.077 -0.016 1 1 2054 . 6 1 1 A 182 182 GLU H H 188 8.076 8.307 -0.231 1 1 2055 . 6 1 1 A 182 182 GLU HA H 188 3.011 4.122 -1.111 1 1 2060 . 6 1 1 A 182 182 GLU C C 188 173.944 177.830 -3.886 1 1 2061 . 6 1 1 A 182 182 GLU CA C 188 56.597 59.127 -2.530 1 1 2062 . 6 1 1 A 182 182 GLU CB C 188 29.581 29.517 0.064 1 1 2064 . 6 1 1 A 182 182 GLU N N 188 113.034 118.033 -4.999 1 1 2065 . 6 1 1 A 183 183 LEU H H 189 7.126 7.365 -0.239 1 1 2066 . 6 1 1 A 183 183 LEU HA H 189 3.970 4.200 -0.230 1 1 2076 . 6 1 1 A 183 183 LEU C C 189 175.597 176.985 -1.388 1 1 2077 . 6 1 1 A 183 183 LEU CA C 189 53.849 55.056 -1.207 1 1 2078 . 6 1 1 A 183 183 LEU CB C 189 41.152 41.976 -0.824 1 1 2082 . 6 1 1 A 183 183 LEU N N 189 112.896 118.238 -5.342 1 1 2083 . 6 1 1 A 184 184 ASN H H 190 6.952 7.807 -0.855 1 1 2084 . 6 1 1 A 184 184 ASN HA H 190 4.596 4.632 -0.036 1 1 2089 . 6 1 1 A 184 184 ASN C C 190 175.694 174.872 0.822 1 1 2090 . 6 1 1 A 184 184 ASN CA C 190 53.200 53.207 -0.007 1 1 2091 . 6 1 1 A 184 184 ASN CB C 190 36.466 39.254 -2.788 1 1 2092 . 6 1 1 A 184 184 ASN N N 190 117.865 117.569 0.296 1 1 2094 . 6 1 1 A 185 185 VAL H H 191 7.178 8.791 -1.613 1 1 2095 . 6 1 1 A 185 185 VAL HA H 191 4.480 4.843 -0.363 1 1 2103 . 6 1 1 A 185 185 VAL C C 191 174.874 174.970 -0.096 1 1 2104 . 6 1 1 A 185 185 VAL CA C 191 59.753 59.516 0.237 1 1 2105 . 6 1 1 A 185 185 VAL CB C 191 33.035 34.316 -1.281 1 1 2108 . 6 1 1 A 185 185 VAL N N 191 113.276 118.052 -4.776 1 1 2109 . 6 1 1 A 186 186 ASP H H 192 8.827 8.586 0.241 1 1 2110 . 6 1 1 A 186 186 ASP HA H 192 4.779 4.901 -0.122 1 1 2113 . 6 1 1 A 186 186 ASP C C 192 174.919 175.233 -0.314 1 1 2114 . 6 1 1 A 186 186 ASP CA C 192 54.058 54.691 -0.633 1 1 2115 . 6 1 1 A 186 186 ASP CB C 192 41.635 42.042 -0.407 1 1 2116 . 6 1 1 A 186 186 ASP N N 192 118.111 122.653 -4.542 1 1 2117 . 6 1 1 A 187 187 LEU H H 193 8.375 8.352 0.023 1 1 2118 . 6 1 1 A 187 187 LEU HA H 193 4.146 4.852 -0.706 1 1 2127 . 6 1 1 A 187 187 LEU CA C 193 52.331 53.723 -1.392 1 1 2128 . 6 1 1 A 187 187 LEU CB C 193 38.187 44.449 -6.262 1 1 2131 . 6 1 1 A 187 187 LEU N N 193 123.130 125.267 -2.137 1 1 2132 . 6 1 1 A 188 188 ALA H H 194 8.225 8.445 -0.220 1 1 2133 . 6 1 1 A 188 188 ALA HA H 194 4.098 4.528 -0.430 1 1 2137 . 6 1 1 A 188 188 ALA C C 194 176.239 176.823 -0.584 1 1 2138 . 6 1 1 A 188 188 ALA CA C 194 52.498 51.635 0.863 1 1 2139 . 6 1 1 A 188 188 ALA CB C 194 20.030 18.824 1.206 1 1 2140 . 6 1 1 A 188 188 ALA N N 194 126.289 128.442 -2.153 1 1 2141 . 6 1 1 A 189 189 ALA H H 195 8.275 8.417 -0.142 1 1 2142 . 6 1 1 A 189 189 ALA HA H 195 4.862 4.317 0.545 1 1 2146 . 6 1 1 A 189 189 ALA C C 195 178.131 177.608 0.523 1 1 2147 . 6 1 1 A 189 189 ALA CA C 195 51.822 53.028 -1.206 1 1 2148 . 6 1 1 A 189 189 ALA CB C 195 17.367 19.004 -1.637 1 1 2149 . 6 1 1 A 189 189 ALA N N 195 122.010 125.796 -3.786 1 1 2150 . 6 1 1 A 190 190 ALA H H 196 8.823 8.796 0.027 1 1 2151 . 6 1 1 A 190 190 ALA HA H 196 4.634 5.121 -0.487 1 1 2155 . 6 1 1 A 190 190 ALA C C 196 175.141 175.561 -0.420 1 1 2156 . 6 1 1 A 190 190 ALA CA C 196 50.420 50.413 0.007 1 1 2157 . 6 1 1 A 190 190 ALA CB C 196 23.461 23.034 0.427 1 1 2158 . 6 1 1 A 190 190 ALA N N 196 126.018 125.254 0.764 1 1 2159 . 6 1 1 A 191 191 ASP H H 197 8.365 8.802 -0.437 1 1 2160 . 6 1 1 A 191 191 ASP HA H 197 5.160 5.040 0.120 1 1 2163 . 6 1 1 A 191 191 ASP C C 197 176.028 176.015 0.013 1 1 2164 . 6 1 1 A 191 191 ASP CA C 197 54.034 52.638 1.396 1 1 2165 . 6 1 1 A 191 191 ASP CB C 197 41.691 41.937 -0.246 1 1 2166 . 6 1 1 A 191 191 ASP N N 197 118.646 120.898 -2.252 1 1 2167 . 6 1 1 A 192 192 ILE H H 198 7.915 8.384 -0.469 1 1 2168 . 6 1 1 A 192 192 ILE HA H 198 4.315 4.438 -0.123 1 1 2178 . 6 1 1 A 192 192 ILE C C 198 174.684 175.507 -0.823 1 1 2179 . 6 1 1 A 192 192 ILE CA C 198 60.951 60.769 0.182 1 1 2180 . 6 1 1 A 192 192 ILE CB C 198 41.989 38.783 3.206 1 1 2184 . 6 1 1 A 192 192 ILE N N 198 119.664 117.811 1.853 1 1 2185 . 6 1 1 A 193 193 LYS H H 199 9.175 8.718 0.457 1 1 2186 . 6 1 1 A 193 193 LYS HA H 199 4.530 4.755 -0.225 1 1 2195 . 6 1 1 A 193 193 LYS C C 199 172.639 175.611 -2.972 1 1 2196 . 6 1 1 A 193 193 LYS CA C 199 53.361 52.992 0.369 1 1 2197 . 6 1 1 A 193 193 LYS CB C 199 34.758 33.837 0.921 1 1 2201 . 6 1 1 A 193 193 LYS N N 199 127.122 121.993 5.129 1 1 2202 . 6 1 1 A 195 195 ASP H H 201 8.390 8.410 -0.020 1 1 2203 . 6 1 1 A 195 195 ASP HA H 201 4.550 4.388 0.162 1 1 2206 . 6 1 1 A 195 195 ASP C C 201 179.300 176.545 2.755 1 1 2207 . 6 1 1 A 195 195 ASP CA C 201 51.354 55.153 -3.799 1 1 2208 . 6 1 1 A 195 195 ASP CB C 201 40.324 41.289 -0.965 1 1 2209 . 6 1 1 A 195 195 ASP N N 201 123.239 122.067 1.172 1 1 2210 . 6 1 1 A 196 196 GLY HA2 H 202 3.718 2.748 0.970 1 1 2211 . 6 1 1 A 196 196 GLY HA3 H 202 3.437 3.546 -0.109 1 1 2212 . 6 1 1 A 196 196 GLY CA C 202 46.527 44.254 2.273 1 1 2213 . 6 1 1 A 197 197 LYS H H 203 7.740 8.665 -0.925 1 1 2214 . 6 1 1 A 197 197 LYS HA H 203 4.118 4.062 0.056 1 1 2221 . 6 1 1 A 197 197 LYS C C 203 174.941 176.829 -1.888 1 1 2222 . 6 1 1 A 197 197 LYS CA C 203 55.054 58.671 -3.617 1 1 2223 . 6 1 1 A 197 197 LYS CB C 203 31.192 31.975 -0.783 1 1 2226 . 6 1 1 A 197 197 LYS N N 203 120.305 123.191 -2.886 1 1 2227 . 6 1 1 A 198 198 ARG H H 204 8.059 7.782 0.277 1 1 2228 . 6 1 1 A 198 198 ARG HA H 204 3.441 4.602 -1.161 1 1 2235 . 6 1 1 A 198 198 ARG C C 204 175.152 175.167 -0.015 1 1 2236 . 6 1 1 A 198 198 ARG CA C 204 56.911 55.687 1.224 1 1 2237 . 6 1 1 A 198 198 ARG CB C 204 26.584 31.828 -5.244 1 1 2240 . 6 1 1 A 198 198 ARG N N 204 111.796 114.131 -2.335 1 1 2241 . 6 1 1 A 199 199 HIS H H 205 8.531 7.333 1.198 1 1 2242 . 6 1 1 A 199 199 HIS HA H 205 4.812 5.198 -0.386 1 1 2247 . 6 1 1 A 199 199 HIS C C 205 174.866 172.198 2.668 1 1 2248 . 6 1 1 A 199 199 HIS CA C 205 53.700 54.529 -0.829 1 1 2249 . 6 1 1 A 199 199 HIS CB C 205 27.838 31.562 -3.724 1 1 2250 . 6 1 1 A 199 199 HIS N N 205 120.255 115.596 4.659 1 1 2251 . 6 1 1 A 200 200 ALA H H 206 8.492 8.447 0.045 1 1 2252 . 6 1 1 A 200 200 ALA HA H 206 4.615 4.700 -0.085 1 1 2256 . 6 1 1 A 200 200 ALA C C 206 175.840 176.268 -0.428 1 1 2257 . 6 1 1 A 200 200 ALA CA C 206 52.247 50.656 1.591 1 1 2258 . 6 1 1 A 200 200 ALA CB C 206 19.838 20.039 -0.201 1 1 2259 . 6 1 1 A 200 200 ALA N N 206 123.237 122.425 0.812 1 1 2260 . 6 1 1 A 201 201 VAL H H 207 9.174 8.280 0.894 1 1 2261 . 6 1 1 A 201 201 VAL HA H 207 4.976 4.750 0.226 1 1 2269 . 6 1 1 A 201 201 VAL C C 207 173.390 174.509 -1.119 1 1 2270 . 6 1 1 A 201 201 VAL CA C 207 60.775 60.473 0.302 1 1 2271 . 6 1 1 A 201 201 VAL CB C 207 35.488 35.719 -0.231 1 1 2274 . 6 1 1 A 201 201 VAL N N 207 123.250 118.767 4.483 1 1 2275 . 6 1 1 A 202 202 ILE H H 208 8.887 8.619 0.268 1 1 2276 . 6 1 1 A 202 202 ILE HA H 208 4.312 4.746 -0.434 1 1 2286 . 6 1 1 A 202 202 ILE C C 208 174.670 175.039 -0.369 1 1 2287 . 6 1 1 A 202 202 ILE CA C 208 60.815 59.846 0.969 1 1 2288 . 6 1 1 A 202 202 ILE CB C 208 41.576 39.828 1.748 1 1 2292 . 6 1 1 A 202 202 ILE N N 208 122.699 126.726 -4.027 1 1 2293 . 6 1 1 A 203 203 SER H H 209 8.416 8.900 -0.484 1 1 2294 . 6 1 1 A 203 203 SER HA H 209 4.913 5.063 -0.150 1 1 2297 . 6 1 1 A 203 203 SER C C 209 172.984 173.216 -0.232 1 1 2298 . 6 1 1 A 203 203 SER CA C 209 55.676 56.842 -1.166 1 1 2299 . 6 1 1 A 203 203 SER CB C 209 64.355 64.573 -0.218 1 1 2300 . 6 1 1 A 203 203 SER N N 209 122.067 122.762 -0.695 1 1 2301 . 6 1 1 A 204 204 GLY H H 210 7.292 8.721 -1.429 1 1 2302 . 6 1 1 A 204 204 GLY HA2 H 210 4.432 4.468 -0.036 1 1 2303 . 6 1 1 A 204 204 GLY HA3 H 210 3.352 4.615 -1.263 1 1 2304 . 6 1 1 A 204 204 GLY C C 210 172.482 172.969 -0.487 1 1 2305 . 6 1 1 A 204 204 GLY CA C 210 45.167 45.371 -0.204 1 1 2306 . 6 1 1 A 204 204 GLY N N 210 110.488 114.420 -3.932 1 1 2307 . 6 1 1 A 205 205 SER H H 211 8.652 8.855 -0.203 1 1 2308 . 6 1 1 A 205 205 SER HA H 211 5.027 5.454 -0.427 1 1 2311 . 6 1 1 A 205 205 SER C C 211 172.852 173.867 -1.015 1 1 2312 . 6 1 1 A 205 205 SER CA C 211 58.806 55.793 3.013 1 1 2313 . 6 1 1 A 205 205 SER CB C 211 64.384 66.401 -2.017 1 1 2314 . 6 1 1 A 205 205 SER N N 211 116.497 113.117 3.380 1 1 2315 . 6 1 1 A 206 206 VAL H H 212 7.400 8.455 -1.055 1 1 2316 . 6 1 1 A 206 206 VAL HA H 212 5.032 4.523 0.509 1 1 2324 . 6 1 1 A 206 206 VAL C C 212 174.500 175.325 -0.825 1 1 2325 . 6 1 1 A 206 206 VAL CA C 212 58.764 61.196 -2.432 1 1 2326 . 6 1 1 A 206 206 VAL CB C 212 30.512 35.134 -4.622 1 1 2329 . 6 1 1 A 206 206 VAL N N 212 117.101 121.325 -4.224 1 1 2330 . 6 1 1 A 207 207 LEU H H 213 8.961 8.682 0.279 1 1 2331 . 6 1 1 A 207 207 LEU HA H 213 5.312 4.578 0.734 1 1 2341 . 6 1 1 A 207 207 LEU C C 213 175.520 175.979 -0.459 1 1 2342 . 6 1 1 A 207 207 LEU CA C 213 52.630 54.629 -1.999 1 1 2343 . 6 1 1 A 207 207 LEU CB C 213 45.567 42.468 3.099 1 1 2347 . 6 1 1 A 207 207 LEU N N 213 124.185 128.065 -3.880 1 1 2348 . 6 1 1 A 208 208 TYR H H 214 8.836 8.701 0.135 1 1 2349 . 6 1 1 A 208 208 TYR HA H 214 4.766 4.862 -0.096 1 1 2356 . 6 1 1 A 208 208 TYR C C 214 175.964 174.540 1.424 1 1 2357 . 6 1 1 A 208 208 TYR CA C 214 56.943 57.921 -0.978 1 1 2358 . 6 1 1 A 208 208 TYR CB C 214 41.736 41.497 0.239 1 1 2359 . 6 1 1 A 208 208 TYR N N 214 120.202 119.934 0.268 1 1 2360 . 6 1 1 A 209 209 ASN H H 215 9.292 9.397 -0.105 1 1 2361 . 6 1 1 A 209 209 ASN HA H 215 4.001 4.549 -0.548 1 1 2366 . 6 1 1 A 209 209 ASN C C 215 174.336 174.330 0.006 1 1 2367 . 6 1 1 A 209 209 ASN CA C 215 53.923 54.169 -0.246 1 1 2368 . 6 1 1 A 209 209 ASN CB C 215 36.468 37.164 -0.696 1 1 2369 . 6 1 1 A 209 209 ASN N N 215 129.805 125.917 3.888 1 1 2371 . 6 1 1 A 210 210 GLN H H 216 8.614 8.474 0.140 1 1 2372 . 6 1 1 A 210 210 GLN HA H 216 3.453 3.824 -0.371 1 1 2379 . 6 1 1 A 210 210 GLN C C 216 173.521 174.686 -1.165 1 1 2380 . 6 1 1 A 210 210 GLN CA C 216 57.881 57.079 0.802 1 1 2381 . 6 1 1 A 210 210 GLN CB C 216 26.089 26.520 -0.431 1 1 2383 . 6 1 1 A 210 210 GLN N N 216 106.396 109.856 -3.460 1 1 2385 . 6 1 1 A 211 211 ALA H H 217 7.657 7.610 0.047 1 1 2386 . 6 1 1 A 211 211 ALA HA H 217 4.608 4.511 0.097 1 1 2390 . 6 1 1 A 211 211 ALA C C 217 176.432 176.722 -0.290 1 1 2391 . 6 1 1 A 211 211 ALA CA C 217 50.786 50.959 -0.173 1 1 2392 . 6 1 1 A 211 211 ALA CB C 217 20.499 20.994 -0.495 1 1 2393 . 6 1 1 A 211 211 ALA N N 217 123.338 118.546 4.792 1 1 2394 . 6 1 1 A 212 212 GLU H H 218 8.712 8.765 -0.053 1 1 2395 . 6 1 1 A 212 212 GLU HA H 218 4.525 4.240 0.285 1 1 2400 . 6 1 1 A 212 212 GLU C C 218 177.924 174.366 3.558 1 1 2401 . 6 1 1 A 212 212 GLU CA C 218 57.550 57.801 -0.251 1 1 2402 . 6 1 1 A 212 212 GLU CB C 218 28.811 29.282 -0.471 1 1 2404 . 6 1 1 A 212 212 GLU N N 218 122.631 116.725 5.906 1 1 2405 . 6 1 1 A 213 213 LYS H H 219 8.835 8.674 0.161 1 1 2406 . 6 1 1 A 213 213 LYS HA H 219 4.612 4.885 -0.273 1 1 2415 . 6 1 1 A 213 213 LYS C C 219 173.786 175.466 -1.680 1 1 2416 . 6 1 1 A 213 213 LYS CA C 219 53.115 55.375 -2.260 1 1 2417 . 6 1 1 A 213 213 LYS CB C 219 34.180 34.369 -0.189 1 1 2421 . 6 1 1 A 213 213 LYS N N 219 126.870 121.268 5.602 1 1 2422 . 6 1 1 A 214 214 GLY H H 220 7.929 9.387 -1.458 1 1 2423 . 6 1 1 A 214 214 GLY HA2 H 220 5.469 4.119 1.350 1 1 2424 . 6 1 1 A 214 214 GLY HA3 H 220 3.719 4.128 -0.409 1 1 2425 . 6 1 1 A 214 214 GLY C C 220 173.926 172.584 1.342 1 1 2426 . 6 1 1 A 214 214 GLY CA C 220 44.536 44.087 0.449 1 1 2427 . 6 1 1 A 214 214 GLY N N 220 107.019 113.538 -6.519 1 1 2428 . 6 1 1 A 215 215 SER H H 221 8.678 8.039 0.639 1 1 2429 . 6 1 1 A 215 215 SER HA H 221 5.460 5.470 -0.010 1 1 2432 . 6 1 1 A 215 215 SER C C 221 171.043 172.339 -1.296 1 1 2433 . 6 1 1 A 215 215 SER CA C 221 56.810 57.228 -0.418 1 1 2434 . 6 1 1 A 215 215 SER CB C 221 66.671 65.799 0.872 1 1 2435 . 6 1 1 A 215 215 SER N N 221 117.334 114.109 3.225 1 1 2436 . 6 1 1 A 216 216 TYR H H 222 8.958 9.128 -0.170 1 1 2437 . 6 1 1 A 216 216 TYR HA H 222 5.389 5.639 -0.250 1 1 2445 . 6 1 1 A 216 216 TYR C C 222 172.789 173.240 -0.451 1 1 2446 . 6 1 1 A 216 216 TYR CA C 222 55.819 55.595 0.224 1 1 2447 . 6 1 1 A 216 216 TYR CB C 222 41.681 42.526 -0.845 1 1 2448 . 6 1 1 A 216 216 TYR N N 222 117.645 119.980 -2.335 1 1 2449 . 6 1 1 A 217 217 SER H H 223 8.837 8.981 -0.144 1 1 2450 . 6 1 1 A 217 217 SER HA H 223 5.165 5.214 -0.049 1 1 2453 . 6 1 1 A 217 217 SER C C 223 173.125 173.065 0.060 1 1 2454 . 6 1 1 A 217 217 SER CA C 223 56.600 56.659 -0.059 1 1 2455 . 6 1 1 A 217 217 SER CB C 223 64.500 65.725 -1.225 1 1 2456 . 6 1 1 A 217 217 SER N N 223 115.593 114.253 1.340 1 1 2457 . 6 1 1 A 218 218 LEU H H 224 9.299 8.221 1.078 1 1 2458 . 6 1 1 A 218 218 LEU HA H 224 4.748 5.037 -0.289 1 1 2468 . 6 1 1 A 218 218 LEU C C 224 175.567 175.970 -0.403 1 1 2469 . 6 1 1 A 218 218 LEU CA C 224 53.138 53.153 -0.015 1 1 2470 . 6 1 1 A 218 218 LEU CB C 224 46.255 46.017 0.238 1 1 2474 . 6 1 1 A 218 218 LEU N N 224 123.523 124.640 -1.117 1 1 2475 . 6 1 1 A 219 219 GLY H H 225 9.041 8.825 0.216 1 1 2476 . 6 1 1 A 219 219 GLY HA2 H 225 4.620 4.026 0.594 1 1 2477 . 6 1 1 A 219 219 GLY HA3 H 225 3.413 4.125 -0.712 1 1 2478 . 6 1 1 A 219 219 GLY C C 225 171.514 172.004 -0.490 1 1 2479 . 6 1 1 A 219 219 GLY CA C 225 43.777 43.601 0.176 1 1 2480 . 6 1 1 A 219 219 GLY N N 225 108.999 109.233 -0.234 1 1 2481 . 6 1 1 A 220 220 ILE H H 226 6.853 8.447 -1.594 1 1 2482 . 6 1 1 A 220 220 ILE HA H 226 4.615 4.504 0.111 1 1 2492 . 6 1 1 A 220 220 ILE C C 226 174.750 175.481 -0.731 1 1 2493 . 6 1 1 A 220 220 ILE CA C 226 60.421 61.315 -0.894 1 1 2494 . 6 1 1 A 220 220 ILE CB C 226 38.213 38.120 0.093 1 1 2498 . 6 1 1 A 220 220 ILE N N 226 120.223 121.838 -1.615 1 1 2499 . 6 1 1 A 221 221 PHE H H 227 9.392 8.639 0.753 1 1 2500 . 6 1 1 A 221 221 PHE HA H 227 4.770 5.094 -0.324 1 1 2507 . 6 1 1 A 221 221 PHE C C 227 175.093 176.046 -0.953 1 1 2508 . 6 1 1 A 221 221 PHE CA C 227 58.053 56.590 1.463 1 1 2509 . 6 1 1 A 221 221 PHE CB C 227 42.505 42.184 0.321 1 1 2510 . 6 1 1 A 221 221 PHE N N 227 128.229 125.384 2.845 1 1 2511 . 6 1 1 A 222 222 GLY H H 228 8.675 8.911 -0.236 1 1 2512 . 6 1 1 A 222 222 GLY HA2 H 228 3.174 3.902 -0.728 1 1 2513 . 6 1 1 A 222 222 GLY HA3 H 228 4.311 3.915 0.396 1 1 2514 . 6 1 1 A 222 222 GLY CA C 228 42.438 45.885 -3.447 1 1 2515 . 6 1 1 A 222 222 GLY N N 228 104.634 110.645 -6.011 1 1 2516 . 6 1 1 A 223 223 GLY CA C 229 46.870 46.194 0.676 1 1 2517 . 6 1 1 A 224 224 LYS H H 230 8.366 7.735 0.631 1 1 2518 . 6 1 1 A 224 224 LYS HA H 230 4.305 4.647 -0.342 1 1 2523 . 6 1 1 A 224 224 LYS C C 230 174.717 176.451 -1.734 1 1 2524 . 6 1 1 A 224 224 LYS CA C 230 54.119 57.067 -2.948 1 1 2525 . 6 1 1 A 224 224 LYS CB C 230 30.821 34.264 -3.443 1 1 2527 . 6 1 1 A 224 224 LYS N N 230 118.720 115.258 3.462 1 1 2528 . 6 1 1 A 225 225 ALA H H 231 7.633 7.852 -0.219 1 1 2529 . 6 1 1 A 225 225 ALA HA H 231 3.810 4.818 -1.008 1 1 2533 . 6 1 1 A 225 225 ALA C C 231 176.702 177.848 -1.146 1 1 2534 . 6 1 1 A 225 225 ALA CA C 231 51.868 51.325 0.543 1 1 2535 . 6 1 1 A 225 225 ALA CB C 231 16.117 19.172 -3.055 1 1 2536 . 6 1 1 A 225 225 ALA N N 231 118.077 122.528 -4.451 1 1 2537 . 6 1 1 A 226 226 GLN H H 232 9.387 7.924 1.463 1 1 2538 . 6 1 1 A 226 226 GLN HA H 232 3.877 4.367 -0.490 1 1 2543 . 6 1 1 A 226 226 GLN C C 232 175.992 175.579 0.413 1 1 2544 . 6 1 1 A 226 226 GLN CA C 232 60.989 57.684 3.305 1 1 2545 . 6 1 1 A 226 226 GLN CB C 232 28.695 29.916 -1.221 1 1 2547 . 6 1 1 A 226 226 GLN N N 232 117.991 119.126 -1.135 1 1 2548 . 6 1 1 A 227 227 GLU H H 233 8.825 7.854 0.971 1 1 2549 . 6 1 1 A 227 227 GLU HA H 233 5.411 4.890 0.521 1 1 2554 . 6 1 1 A 227 227 GLU C C 233 174.939 174.394 0.545 1 1 2555 . 6 1 1 A 227 227 GLU CA C 233 54.289 56.034 -1.745 1 1 2556 . 6 1 1 A 227 227 GLU CB C 233 33.797 32.996 0.801 1 1 2558 . 6 1 1 A 227 227 GLU N N 233 116.638 117.994 -1.356 1 1 2559 . 6 1 1 A 228 228 VAL H H 234 8.343 8.215 0.128 1 1 2560 . 6 1 1 A 228 228 VAL HA H 234 5.544 5.128 0.416 1 1 2568 . 6 1 1 A 228 228 VAL C C 234 174.839 174.289 0.550 1 1 2569 . 6 1 1 A 228 228 VAL CA C 234 57.867 59.958 -2.091 1 1 2570 . 6 1 1 A 228 228 VAL CB C 234 35.379 35.941 -0.562 1 1 2573 . 6 1 1 A 228 228 VAL N N 234 109.304 118.644 -9.340 1 1 2574 . 6 1 1 A 229 229 ALA H H 235 8.475 8.219 0.256 1 1 2575 . 6 1 1 A 229 229 ALA HA H 235 4.937 4.588 0.349 1 1 2579 . 6 1 1 A 229 229 ALA C C 235 176.417 175.939 0.478 1 1 2580 . 6 1 1 A 229 229 ALA CA C 235 51.303 51.317 -0.014 1 1 2581 . 6 1 1 A 229 229 ALA CB C 235 20.301 22.669 -2.368 1 1 2582 . 6 1 1 A 229 229 ALA N N 235 120.653 123.349 -2.696 1 1 2583 . 6 1 1 A 230 230 GLY H H 236 9.361 7.805 1.556 1 1 2584 . 6 1 1 A 230 230 GLY HA2 H 236 5.075 4.237 0.838 1 1 2585 . 6 1 1 A 230 230 GLY HA3 H 236 4.017 4.294 -0.277 1 1 2586 . 6 1 1 A 230 230 GLY C C 236 170.130 172.051 -1.921 1 1 2587 . 6 1 1 A 230 230 GLY CA C 236 46.221 45.846 0.375 1 1 2588 . 6 1 1 A 230 230 GLY N N 236 111.104 105.911 5.193 1 1 2589 . 6 1 1 A 231 231 SER H H 237 8.889 8.757 0.132 1 1 2590 . 6 1 1 A 231 231 SER HA H 237 5.276 5.322 -0.046 1 1 2593 . 6 1 1 A 231 231 SER C C 237 171.360 172.828 -1.468 1 1 2594 . 6 1 1 A 231 231 SER CA C 237 56.498 57.282 -0.784 1 1 2595 . 6 1 1 A 231 231 SER CB C 237 66.398 66.170 0.228 1 1 2596 . 6 1 1 A 231 231 SER N N 237 115.308 116.225 -0.917 1 1 2597 . 6 1 1 A 232 232 ALA H H 238 9.083 8.820 0.263 1 1 2598 . 6 1 1 A 232 232 ALA HA H 238 5.148 5.348 -0.200 1 1 2602 . 6 1 1 A 232 232 ALA C C 238 174.537 175.813 -1.276 1 1 2603 . 6 1 1 A 232 232 ALA CA C 238 49.904 50.768 -0.864 1 1 2604 . 6 1 1 A 232 232 ALA CB C 238 21.729 22.438 -0.709 1 1 2605 . 6 1 1 A 232 232 ALA N N 238 119.911 123.625 -3.714 1 1 2606 . 6 1 1 A 233 233 GLU H H 239 9.015 9.057 -0.042 1 1 2607 . 6 1 1 A 233 233 GLU HA H 239 4.631 5.259 -0.628 1 1 2612 . 6 1 1 A 233 233 GLU C C 239 174.122 174.998 -0.876 1 1 2613 . 6 1 1 A 233 233 GLU CA C 239 54.786 54.599 0.187 1 1 2614 . 6 1 1 A 233 233 GLU CB C 239 31.355 32.738 -1.383 1 1 2616 . 6 1 1 A 233 233 GLU N N 239 122.744 122.613 0.131 1 1 2617 . 6 1 1 A 234 234 VAL H H 240 8.792 8.761 0.031 1 1 2618 . 6 1 1 A 234 234 VAL HA H 240 4.394 4.703 -0.309 1 1 2623 . 6 1 1 A 234 234 VAL C C 240 174.833 174.684 0.149 1 1 2624 . 6 1 1 A 234 234 VAL CA C 240 61.427 59.152 2.275 1 1 2625 . 6 1 1 A 234 234 VAL CB C 240 33.863 34.926 -1.063 1 1 2627 . 6 1 1 A 234 234 VAL N N 240 124.203 117.932 6.271 1 1 2628 . 6 1 1 A 235 235 LYS H H 241 8.841 8.448 0.393 1 1 2629 . 6 1 1 A 235 235 LYS HA H 241 3.981 4.577 -0.596 1 1 2638 . 6 1 1 A 235 235 LYS C C 241 174.548 175.143 -0.595 1 1 2639 . 6 1 1 A 235 235 LYS CA C 241 55.955 56.082 -0.127 1 1 2640 . 6 1 1 A 235 235 LYS CB C 241 32.100 34.037 -1.937 1 1 2644 . 6 1 1 A 235 235 LYS N N 241 127.554 123.719 3.835 1 1 2645 . 6 1 1 A 236 236 THR H H 242 7.212 8.044 -0.832 1 1 2646 . 6 1 1 A 236 236 THR HA H 242 4.355 4.652 -0.297 1 1 2651 . 6 1 1 A 236 236 THR C C 242 176.482 174.623 1.859 1 1 2652 . 6 1 1 A 236 236 THR CA C 242 61.054 61.089 -0.035 1 1 2653 . 6 1 1 A 236 236 THR CB C 242 72.642 73.093 -0.451 1 1 2655 . 6 1 1 A 236 236 THR N N 242 114.463 114.513 -0.050 1 1 2656 . 6 1 1 A 237 237 VAL H H 243 9.582 8.888 0.694 1 1 2657 . 6 1 1 A 237 237 VAL HA H 243 3.849 3.931 -0.082 1 1 2665 . 6 1 1 A 237 237 VAL C C 243 176.201 177.322 -1.121 1 1 2666 . 6 1 1 A 237 237 VAL CA C 243 64.701 65.015 -0.314 1 1 2667 . 6 1 1 A 237 237 VAL CB C 243 31.028 31.809 -0.781 1 1 2669 . 6 1 1 A 237 237 VAL N N 243 120.670 125.056 -4.386 1 1 2670 . 6 1 1 A 238 238 ASN H H 244 7.572 7.924 -0.352 1 1 2671 . 6 1 1 A 238 238 ASN HA H 244 4.882 4.739 0.143 1 1 2676 . 6 1 1 A 238 238 ASN C C 244 173.835 175.704 -1.869 1 1 2677 . 6 1 1 A 238 238 ASN CA C 244 52.022 53.199 -1.177 1 1 2678 . 6 1 1 A 238 238 ASN CB C 244 39.176 39.045 0.131 1 1 2679 . 6 1 1 A 238 238 ASN N N 244 115.638 117.741 -2.103 1 1 2681 . 6 1 1 A 239 239 GLY H H 245 7.362 8.155 -0.793 1 1 2682 . 6 1 1 A 239 239 GLY HA2 H 245 4.539 4.064 0.475 1 1 2683 . 6 1 1 A 239 239 GLY HA3 H 245 3.728 4.075 -0.347 1 1 2684 . 6 1 1 A 239 239 GLY C C 245 174.343 173.114 1.229 1 1 2685 . 6 1 1 A 239 239 GLY CA C 245 43.316 44.264 -0.948 1 1 2686 . 6 1 1 A 239 239 GLY N N 245 107.650 106.135 1.515 1 1 2687 . 6 1 1 A 240 240 ILE H H 246 8.672 8.308 0.364 1 1 2688 . 6 1 1 A 240 240 ILE HA H 246 4.351 4.633 -0.282 1 1 2698 . 6 1 1 A 240 240 ILE C C 246 176.899 174.849 2.050 1 1 2699 . 6 1 1 A 240 240 ILE CA C 246 61.120 61.003 0.117 1 1 2700 . 6 1 1 A 240 240 ILE CB C 246 36.906 38.974 -2.068 1 1 2704 . 6 1 1 A 240 240 ILE N N 246 122.673 121.126 1.547 1 1 2705 . 6 1 1 A 241 241 ARG H H 247 9.233 8.764 0.469 1 1 2706 . 6 1 1 A 241 241 ARG HA H 247 4.370 4.915 -0.545 1 1 2713 . 6 1 1 A 241 241 ARG C C 247 173.925 175.093 -1.168 1 1 2714 . 6 1 1 A 241 241 ARG CA C 247 53.461 54.806 -1.345 1 1 2715 . 6 1 1 A 241 241 ARG CB C 247 31.910 33.312 -1.402 1 1 2718 . 6 1 1 A 241 241 ARG N N 247 128.497 127.974 0.523 1 1 2719 . 6 1 1 A 242 242 HIS H H 248 8.519 9.082 -0.563 1 1 2720 . 6 1 1 A 242 242 HIS HA H 248 5.323 5.355 -0.032 1 1 2725 . 6 1 1 A 242 242 HIS C C 248 174.635 174.915 -0.280 1 1 2726 . 6 1 1 A 242 242 HIS CA C 248 55.759 54.276 1.483 1 1 2727 . 6 1 1 A 242 242 HIS CB C 248 32.921 33.149 -0.228 1 1 2728 . 6 1 1 A 242 242 HIS N N 248 121.131 119.701 1.430 1 1 2729 . 6 1 1 A 243 243 ILE H H 249 8.723 9.329 -0.606 1 1 2730 . 6 1 1 A 243 243 ILE HA H 249 4.522 4.768 -0.246 1 1 2740 . 6 1 1 A 243 243 ILE C C 249 176.188 175.683 0.505 1 1 2741 . 6 1 1 A 243 243 ILE CA C 249 58.524 59.838 -1.314 1 1 2742 . 6 1 1 A 243 243 ILE CB C 249 41.977 41.615 0.362 1 1 2746 . 6 1 1 A 243 243 ILE N N 249 119.438 123.245 -3.807 1 1 2747 . 6 1 1 A 244 244 GLY H H 250 9.351 8.638 0.713 1 1 2748 . 6 1 1 A 244 244 GLY HA2 H 250 3.707 2.945 0.762 1 1 2749 . 6 1 1 A 244 244 GLY HA3 H 250 2.119 3.801 -1.682 1 1 2750 . 6 1 1 A 244 244 GLY C C 250 170.981 172.464 -1.483 1 1 2751 . 6 1 1 A 244 244 GLY CA C 250 44.178 44.709 -0.531 1 1 2752 . 6 1 1 A 244 244 GLY N N 250 113.700 114.222 -0.522 1 1 2753 . 6 1 1 A 245 245 LEU H H 251 7.833 8.300 -0.467 1 1 2754 . 6 1 1 A 245 245 LEU HA H 251 4.717 5.153 -0.436 1 1 2764 . 6 1 1 A 245 245 LEU C C 251 174.501 175.664 -1.163 1 1 2765 . 6 1 1 A 245 245 LEU CA C 251 52.508 53.651 -1.143 1 1 2766 . 6 1 1 A 245 245 LEU CB C 251 46.764 43.877 2.887 1 1 2770 . 6 1 1 A 245 245 LEU N N 251 120.798 124.979 -4.181 1 1 2771 . 6 1 1 A 246 246 ALA H H 252 7.906 8.791 -0.885 1 1 2772 . 6 1 1 A 246 246 ALA HA H 252 4.589 4.925 -0.336 1 1 2776 . 6 1 1 A 246 246 ALA C C 252 173.363 175.900 -2.537 1 1 2777 . 6 1 1 A 246 246 ALA CA C 252 51.546 51.523 0.023 1 1 2778 . 6 1 1 A 246 246 ALA CB C 252 21.524 20.915 0.609 1 1 2779 . 6 1 1 A 246 246 ALA N N 252 122.885 124.600 -1.715 1 1 2780 . 6 1 1 A 247 247 ALA H H 253 9.041 8.733 0.308 1 1 2781 . 6 1 1 A 247 247 ALA HA H 253 4.726 5.323 -0.597 1 1 2785 . 6 1 1 A 247 247 ALA C C 253 174.897 175.948 -1.051 1 1 2786 . 6 1 1 A 247 247 ALA CA C 253 51.723 50.806 0.917 1 1 2787 . 6 1 1 A 247 247 ALA CB C 253 22.967 20.993 1.974 1 1 2788 . 6 1 1 A 247 247 ALA N N 253 122.967 125.842 -2.875 1 1 2789 . 6 1 1 A 248 248 LYS H H 254 8.171 9.157 -0.986 1 1 2790 . 6 1 1 A 248 248 LYS HA H 254 5.731 5.059 0.672 1 1 2797 . 6 1 1 A 248 248 LYS C C 254 175.094 177.076 -1.982 1 1 2798 . 6 1 1 A 248 248 LYS CA C 254 53.866 54.924 -1.058 1 1 2799 . 6 1 1 A 248 248 LYS CB C 254 36.312 35.179 1.133 1 1 2802 . 6 1 1 A 248 248 LYS N N 254 115.734 122.006 -6.272 1 1 60 . 7 1 1 A 9 9 GLY H H 15 8.346 8.797 -0.451 1 1 61 . 7 1 1 A 9 9 GLY HA2 H 15 4.021 3.873 0.148 1 1 62 . 7 1 1 A 9 9 GLY HA3 H 15 3.772 3.876 -0.104 1 1 63 . 7 1 1 A 9 9 GLY C C 15 174.259 175.313 -1.054 1 1 64 . 7 1 1 A 9 9 GLY CA C 15 45.581 46.571 -0.990 1 1 65 . 7 1 1 A 9 9 GLY N N 15 107.368 111.810 -4.442 1 1 66 . 7 1 1 A 10 10 LEU H H 16 7.224 7.923 -0.699 1 1 67 . 7 1 1 A 10 10 LEU HA H 16 3.736 4.033 -0.297 1 1 77 . 7 1 1 A 10 10 LEU C C 16 178.202 179.011 -0.809 1 1 78 . 7 1 1 A 10 10 LEU CA C 16 57.915 57.614 0.301 1 1 79 . 7 1 1 A 10 10 LEU CB C 16 40.686 41.331 -0.645 1 1 83 . 7 1 1 A 10 10 LEU N N 16 117.616 123.389 -5.773 1 1 84 . 7 1 1 A 11 11 ALA H H 17 7.860 7.903 -0.043 1 1 85 . 7 1 1 A 11 11 ALA HA H 17 3.937 4.012 -0.075 1 1 89 . 7 1 1 A 11 11 ALA C C 17 181.090 178.913 2.177 1 1 90 . 7 1 1 A 11 11 ALA CA C 17 54.860 55.352 -0.492 1 1 91 . 7 1 1 A 11 11 ALA CB C 17 17.248 18.024 -0.776 1 1 92 . 7 1 1 A 11 11 ALA N N 17 117.757 122.056 -4.299 1 1 93 . 7 1 1 A 12 12 ASP H H 18 8.017 8.294 -0.277 1 1 94 . 7 1 1 A 12 12 ASP HA H 18 4.223 4.506 -0.283 1 1 97 . 7 1 1 A 12 12 ASP C C 18 177.941 178.108 -0.167 1 1 98 . 7 1 1 A 12 12 ASP CA C 18 56.341 56.444 -0.103 1 1 99 . 7 1 1 A 12 12 ASP CB C 18 39.312 41.114 -1.802 1 1 100 . 7 1 1 A 12 12 ASP N N 18 118.410 118.264 0.146 1 1 101 . 7 1 1 A 13 13 ALA H H 19 8.205 7.687 0.518 1 1 102 . 7 1 1 A 13 13 ALA HA H 19 3.952 4.191 -0.239 1 1 106 . 7 1 1 A 13 13 ALA C C 19 178.856 178.058 0.798 1 1 107 . 7 1 1 A 13 13 ALA CA C 19 55.039 54.159 0.880 1 1 108 . 7 1 1 A 13 13 ALA CB C 19 17.779 18.465 -0.686 1 1 109 . 7 1 1 A 13 13 ALA N N 19 121.480 120.698 0.782 1 1 110 . 7 1 1 A 14 14 LEU H H 20 7.217 7.268 -0.051 1 1 111 . 7 1 1 A 14 14 LEU HA H 20 4.258 4.459 -0.201 1 1 121 . 7 1 1 A 14 14 LEU C C 20 177.544 177.939 -0.395 1 1 122 . 7 1 1 A 14 14 LEU CA C 20 55.511 54.730 0.781 1 1 123 . 7 1 1 A 14 14 LEU CB C 20 42.176 42.667 -0.491 1 1 126 . 7 1 1 A 14 14 LEU N N 20 113.410 115.601 -2.191 1 1 127 . 7 1 1 A 15 15 THR H H 21 7.624 7.668 -0.044 1 1 128 . 7 1 1 A 15 15 THR HA H 21 4.394 4.339 0.055 1 1 133 . 7 1 1 A 15 15 THR C C 21 174.959 174.567 0.392 1 1 134 . 7 1 1 A 15 15 THR CA C 21 61.733 62.541 -0.808 1 1 135 . 7 1 1 A 15 15 THR CB C 21 71.514 69.372 2.142 1 1 137 . 7 1 1 A 15 15 THR N N 21 106.072 107.408 -1.336 1 1 138 . 7 1 1 A 16 16 ALA H H 22 8.932 7.672 1.260 1 1 139 . 7 1 1 A 16 16 ALA HA H 22 4.624 4.860 -0.236 1 1 143 . 7 1 1 A 16 16 ALA C C 22 175.978 174.967 1.011 1 1 144 . 7 1 1 A 16 16 ALA CA C 22 50.681 49.945 0.736 1 1 145 . 7 1 1 A 16 16 ALA CB C 22 18.728 22.003 -3.275 1 1 146 . 7 1 1 A 16 16 ALA N N 22 127.789 122.335 5.454 1 1 147 . 7 1 1 A 17 17 PRO HA H 23 4.430 4.687 -0.257 1 1 154 . 7 1 1 A 17 17 PRO CA C 23 61.497 62.450 -0.953 1 1 155 . 7 1 1 A 17 17 PRO CB C 23 31.775 32.919 -1.144 1 1 158 . 7 1 1 A 18 18 LEU H H 24 8.154 8.373 -0.219 1 1 159 . 7 1 1 A 18 18 LEU HA H 24 3.894 4.961 -1.067 1 1 169 . 7 1 1 A 18 18 LEU C C 24 176.447 177.420 -0.973 1 1 170 . 7 1 1 A 18 18 LEU CA C 24 55.510 53.152 2.358 1 1 171 . 7 1 1 A 18 18 LEU CB C 24 40.921 44.093 -3.172 1 1 175 . 7 1 1 A 18 18 LEU N N 24 121.010 121.469 -0.459 1 1 176 . 7 1 1 A 19 19 ASP H H 25 8.758 9.056 -0.298 1 1 177 . 7 1 1 A 19 19 ASP HA H 25 4.626 4.400 0.226 1 1 180 . 7 1 1 A 19 19 ASP C C 25 176.425 176.690 -0.265 1 1 181 . 7 1 1 A 19 19 ASP CA C 25 52.688 57.003 -4.315 1 1 182 . 7 1 1 A 19 19 ASP CB C 25 42.819 40.673 2.146 1 1 183 . 7 1 1 A 19 19 ASP N N 25 124.654 122.468 2.186 1 1 184 . 7 1 1 A 20 20 HIS HA H 26 4.272 4.439 -0.167 1 1 189 . 7 1 1 A 20 20 HIS CA C 26 58.100 58.654 -0.554 1 1 190 . 7 1 1 A 20 20 HIS CB C 26 29.200 29.487 -0.287 1 1 191 . 7 1 1 A 21 21 LYS H H 27 8.348 8.568 -0.220 1 1 192 . 7 1 1 A 21 21 LYS HA H 27 3.970 4.375 -0.405 1 1 201 . 7 1 1 A 21 21 LYS C C 27 177.393 177.250 0.143 1 1 202 . 7 1 1 A 21 21 LYS CA C 27 56.320 55.918 0.402 1 1 203 . 7 1 1 A 21 21 LYS CB C 27 30.950 31.896 -0.946 1 1 206 . 7 1 1 A 21 21 LYS N N 27 118.419 116.749 1.670 1 1 207 . 7 1 1 A 22 22 ASP H H 28 7.451 8.048 -0.597 1 1 208 . 7 1 1 A 22 22 ASP HA H 28 4.307 4.285 0.022 1 1 211 . 7 1 1 A 22 22 ASP C C 28 176.212 177.247 -1.035 1 1 212 . 7 1 1 A 22 22 ASP CA C 28 54.164 57.255 -3.091 1 1 213 . 7 1 1 A 22 22 ASP CB C 28 40.091 41.424 -1.333 1 1 214 . 7 1 1 A 22 22 ASP N N 28 120.045 120.472 -0.427 1 1 215 . 7 1 1 A 23 23 LYS H H 29 8.416 7.670 0.746 1 1 216 . 7 1 1 A 23 23 LYS HA H 29 3.962 4.472 -0.510 1 1 225 . 7 1 1 A 23 23 LYS C C 29 177.409 175.710 1.699 1 1 226 . 7 1 1 A 23 23 LYS CA C 29 56.254 56.491 -0.237 1 1 227 . 7 1 1 A 23 23 LYS CB C 29 31.950 34.802 -2.852 1 1 231 . 7 1 1 A 23 23 LYS N N 29 121.925 113.733 8.192 1 1 232 . 7 1 1 A 24 24 GLY H H 30 8.612 7.711 0.901 1 1 233 . 7 1 1 A 24 24 GLY HA2 H 30 3.655 4.084 -0.429 1 1 234 . 7 1 1 A 24 24 GLY HA3 H 30 3.519 4.139 -0.620 1 1 235 . 7 1 1 A 24 24 GLY CA C 30 44.788 45.638 -0.850 1 1 236 . 7 1 1 A 24 24 GLY N N 30 111.487 108.025 3.462 1 1 237 . 7 1 1 A 25 25 LEU H H 31 8.054 8.397 -0.343 1 1 238 . 7 1 1 A 25 25 LEU HA H 31 3.770 4.389 -0.619 1 1 248 . 7 1 1 A 25 25 LEU CA C 31 55.906 56.085 -0.179 1 1 249 . 7 1 1 A 25 25 LEU CB C 31 44.428 42.260 2.168 1 1 253 . 7 1 1 A 25 25 LEU N N 31 127.196 121.430 5.766 1 1 254 . 7 1 1 A 26 26 GLN H H 32 9.184 8.946 0.238 1 1 255 . 7 1 1 A 26 26 GLN HA H 32 3.437 4.541 -1.104 1 1 262 . 7 1 1 A 26 26 GLN C C 32 174.347 174.530 -0.183 1 1 263 . 7 1 1 A 26 26 GLN CA C 32 57.926 55.290 2.636 1 1 264 . 7 1 1 A 26 26 GLN CB C 32 27.721 30.130 -2.409 1 1 266 . 7 1 1 A 26 26 GLN N N 32 131.782 125.040 6.742 1 1 268 . 7 1 1 A 27 27 SER H H 33 7.240 7.605 -0.365 1 1 269 . 7 1 1 A 27 27 SER HA H 33 4.981 4.927 0.054 1 1 272 . 7 1 1 A 27 27 SER C C 33 171.111 172.538 -1.427 1 1 273 . 7 1 1 A 27 27 SER CA C 33 56.782 57.437 -0.655 1 1 274 . 7 1 1 A 27 27 SER CB C 33 64.611 65.454 -0.843 1 1 275 . 7 1 1 A 27 27 SER N N 33 108.936 112.799 -3.863 1 1 276 . 7 1 1 A 28 28 LEU H H 34 8.010 8.516 -0.506 1 1 277 . 7 1 1 A 28 28 LEU HA H 34 4.372 4.738 -0.366 1 1 287 . 7 1 1 A 28 28 LEU C C 34 174.697 174.888 -0.191 1 1 288 . 7 1 1 A 28 28 LEU CA C 34 53.332 54.670 -1.338 1 1 289 . 7 1 1 A 28 28 LEU CB C 34 45.636 44.971 0.665 1 1 293 . 7 1 1 A 28 28 LEU N N 34 121.826 123.696 -1.870 1 1 294 . 7 1 1 A 29 29 THR H H 35 8.810 9.016 -0.206 1 1 295 . 7 1 1 A 29 29 THR HA H 35 4.046 4.695 -0.649 1 1 300 . 7 1 1 A 29 29 THR C C 35 172.792 174.545 -1.753 1 1 301 . 7 1 1 A 29 29 THR CA C 35 62.565 62.154 0.411 1 1 302 . 7 1 1 A 29 29 THR CB C 35 68.233 69.915 -1.682 1 1 304 . 7 1 1 A 29 29 THR N N 35 123.892 121.160 2.732 1 1 305 . 7 1 1 A 30 30 LEU H H 36 8.662 8.298 0.364 1 1 306 . 7 1 1 A 30 30 LEU HA H 36 4.150 4.656 -0.506 1 1 316 . 7 1 1 A 30 30 LEU C C 36 174.707 177.076 -2.369 1 1 317 . 7 1 1 A 30 30 LEU CA C 36 53.789 54.417 -0.628 1 1 318 . 7 1 1 A 30 30 LEU CB C 36 40.562 41.196 -0.634 1 1 322 . 7 1 1 A 30 30 LEU N N 36 128.365 126.038 2.327 1 1 323 . 7 1 1 A 31 31 ASP H H 37 8.500 8.221 0.279 1 1 324 . 7 1 1 A 31 31 ASP HA H 37 4.837 4.284 0.553 1 1 327 . 7 1 1 A 31 31 ASP CA C 37 54.657 57.397 -2.740 1 1 328 . 7 1 1 A 31 31 ASP CB C 37 43.089 40.542 2.547 1 1 329 . 7 1 1 A 31 31 ASP N N 37 123.194 120.345 2.849 1 1 330 . 7 1 1 A 32 32 GLN H H 38 10.453 8.226 2.227 1 1 331 . 7 1 1 A 32 32 GLN HA H 38 3.808 4.236 -0.428 1 1 338 . 7 1 1 A 32 32 GLN C C 38 178.535 177.755 0.780 1 1 339 . 7 1 1 A 32 32 GLN CA C 38 56.284 56.812 -0.528 1 1 340 . 7 1 1 A 32 32 GLN CB C 38 28.175 29.171 -0.996 1 1 342 . 7 1 1 A 32 32 GLN N N 38 120.692 117.227 3.465 1 1 344 . 7 1 1 A 33 33 SER H H 39 8.523 7.884 0.639 1 1 345 . 7 1 1 A 33 33 SER HA H 39 4.081 4.383 -0.302 1 1 348 . 7 1 1 A 33 33 SER C C 39 171.792 174.065 -2.273 1 1 349 . 7 1 1 A 33 33 SER CA C 39 61.436 60.140 1.296 1 1 350 . 7 1 1 A 33 33 SER CB C 39 63.008 63.785 -0.777 1 1 351 . 7 1 1 A 33 33 SER N N 39 111.712 112.642 -0.930 1 1 352 . 7 1 1 A 34 34 VAL H H 40 6.691 7.798 -1.107 1 1 353 . 7 1 1 A 34 34 VAL HA H 40 3.890 4.573 -0.683 1 1 361 . 7 1 1 A 34 34 VAL C C 40 172.251 174.550 -2.299 1 1 362 . 7 1 1 A 34 34 VAL CA C 40 60.415 59.596 0.819 1 1 363 . 7 1 1 A 34 34 VAL CB C 40 32.306 35.732 -3.426 1 1 366 . 7 1 1 A 34 34 VAL N N 40 115.971 118.544 -2.573 1 1 367 . 7 1 1 A 35 35 ARG H H 41 8.184 8.608 -0.424 1 1 368 . 7 1 1 A 35 35 ARG HA H 41 4.176 4.309 -0.133 1 1 375 . 7 1 1 A 35 35 ARG C C 41 176.886 177.847 -0.961 1 1 376 . 7 1 1 A 35 35 ARG CA C 41 55.599 56.481 -0.882 1 1 377 . 7 1 1 A 35 35 ARG CB C 41 30.569 31.140 -0.571 1 1 380 . 7 1 1 A 35 35 ARG N N 41 125.397 124.674 0.723 1 1 381 . 7 1 1 A 36 36 LYS H H 42 8.493 8.914 -0.421 1 1 382 . 7 1 1 A 36 36 LYS HA H 42 3.778 4.031 -0.253 1 1 391 . 7 1 1 A 36 36 LYS C C 42 176.596 178.503 -1.907 1 1 392 . 7 1 1 A 36 36 LYS CA C 42 58.687 58.948 -0.261 1 1 393 . 7 1 1 A 36 36 LYS CB C 42 31.959 31.943 0.016 1 1 397 . 7 1 1 A 36 36 LYS N N 42 119.360 122.761 -3.401 1 1 398 . 7 1 1 A 37 37 ASN H H 43 8.513 7.959 0.554 1 1 399 . 7 1 1 A 37 37 ASN HA H 43 4.438 4.684 -0.246 1 1 404 . 7 1 1 A 37 37 ASN C C 43 173.867 175.831 -1.964 1 1 405 . 7 1 1 A 37 37 ASN CA C 43 55.127 55.152 -0.025 1 1 406 . 7 1 1 A 37 37 ASN CB C 43 37.071 39.181 -2.110 1 1 407 . 7 1 1 A 37 37 ASN N N 43 115.488 115.951 -0.463 1 1 409 . 7 1 1 A 38 38 GLU H H 44 7.793 7.657 0.136 1 1 410 . 7 1 1 A 38 38 GLU HA H 44 4.772 4.759 0.013 1 1 413 . 7 1 1 A 38 38 GLU C C 44 175.262 175.327 -0.065 1 1 414 . 7 1 1 A 38 38 GLU CA C 44 54.808 54.800 0.008 1 1 415 . 7 1 1 A 38 38 GLU CB C 44 32.321 31.436 0.885 1 1 416 . 7 1 1 A 38 38 GLU N N 44 118.734 117.445 1.289 1 1 417 . 7 1 1 A 39 39 LYS H H 45 8.706 8.759 -0.053 1 1 418 . 7 1 1 A 39 39 LYS HA H 45 4.606 5.051 -0.445 1 1 427 . 7 1 1 A 39 39 LYS C C 45 174.312 176.351 -2.039 1 1 428 . 7 1 1 A 39 39 LYS CA C 45 52.782 55.525 -2.743 1 1 429 . 7 1 1 A 39 39 LYS CB C 45 35.174 33.982 1.192 1 1 433 . 7 1 1 A 39 39 LYS N N 45 117.132 123.611 -6.479 1 1 434 . 7 1 1 A 40 40 LEU H H 46 9.085 9.079 0.006 1 1 435 . 7 1 1 A 40 40 LEU HA H 46 5.044 5.314 -0.270 1 1 442 . 7 1 1 A 40 40 LEU C C 46 173.778 174.649 -0.871 1 1 443 . 7 1 1 A 40 40 LEU CA C 46 52.590 52.746 -0.156 1 1 444 . 7 1 1 A 40 40 LEU CB C 46 44.855 46.282 -1.427 1 1 447 . 7 1 1 A 40 40 LEU N N 46 125.335 121.243 4.092 1 1 448 . 7 1 1 A 41 41 LYS H H 47 9.263 8.882 0.381 1 1 449 . 7 1 1 A 41 41 LYS HA H 47 5.049 5.392 -0.343 1 1 458 . 7 1 1 A 41 41 LYS C C 47 175.616 175.071 0.545 1 1 459 . 7 1 1 A 41 41 LYS CA C 47 53.864 54.635 -0.771 1 1 460 . 7 1 1 A 41 41 LYS CB C 47 32.986 35.957 -2.971 1 1 464 . 7 1 1 A 41 41 LYS N N 47 129.833 119.534 10.299 1 1 465 . 7 1 1 A 42 42 LEU H H 48 8.954 8.980 -0.026 1 1 466 . 7 1 1 A 42 42 LEU HA H 48 5.458 5.216 0.242 1 1 476 . 7 1 1 A 42 42 LEU C C 48 175.565 175.615 -0.050 1 1 477 . 7 1 1 A 42 42 LEU CA C 48 51.964 53.529 -1.565 1 1 478 . 7 1 1 A 42 42 LEU CB C 48 44.393 43.786 0.607 1 1 482 . 7 1 1 A 42 42 LEU N N 48 126.292 128.430 -2.138 1 1 483 . 7 1 1 A 43 43 ALA H H 49 8.804 8.799 0.005 1 1 484 . 7 1 1 A 43 43 ALA HA H 49 5.304 5.544 -0.240 1 1 488 . 7 1 1 A 43 43 ALA C C 49 176.301 175.709 0.592 1 1 489 . 7 1 1 A 43 43 ALA CA C 49 51.004 51.237 -0.233 1 1 490 . 7 1 1 A 43 43 ALA CB C 49 23.453 23.338 0.115 1 1 491 . 7 1 1 A 43 43 ALA N N 49 120.789 123.080 -2.291 1 1 492 . 7 1 1 A 44 44 ALA H H 50 8.117 8.707 -0.590 1 1 493 . 7 1 1 A 44 44 ALA HA H 50 4.485 4.526 -0.041 1 1 497 . 7 1 1 A 44 44 ALA C C 50 176.254 176.849 -0.595 1 1 498 . 7 1 1 A 44 44 ALA CA C 50 53.021 51.749 1.272 1 1 499 . 7 1 1 A 44 44 ALA CB C 50 23.682 21.816 1.866 1 1 500 . 7 1 1 A 44 44 ALA N N 50 120.678 120.527 0.151 1 1 501 . 7 1 1 A 45 45 GLN H H 51 9.035 9.336 -0.301 1 1 502 . 7 1 1 A 45 45 GLN HA H 51 3.774 3.917 -0.143 1 1 509 . 7 1 1 A 45 45 GLN C C 51 175.259 174.922 0.337 1 1 510 . 7 1 1 A 45 45 GLN CA C 51 56.074 56.685 -0.611 1 1 511 . 7 1 1 A 45 45 GLN CB C 51 27.339 27.527 -0.188 1 1 513 . 7 1 1 A 45 45 GLN N N 51 116.299 123.345 -7.046 1 1 515 . 7 1 1 A 46 46 GLY H H 52 8.441 8.538 -0.097 1 1 516 . 7 1 1 A 46 46 GLY HA2 H 52 4.066 3.788 0.278 1 1 517 . 7 1 1 A 46 46 GLY HA3 H 52 3.510 3.789 -0.279 1 1 518 . 7 1 1 A 46 46 GLY C C 52 173.050 173.668 -0.618 1 1 519 . 7 1 1 A 46 46 GLY CA C 52 44.998 45.305 -0.307 1 1 520 . 7 1 1 A 46 46 GLY N N 52 105.419 105.350 0.069 1 1 521 . 7 1 1 A 47 47 ALA H H 53 8.152 7.634 0.518 1 1 522 . 7 1 1 A 47 47 ALA HA H 53 4.767 4.815 -0.048 1 1 526 . 7 1 1 A 47 47 ALA C C 53 175.989 175.245 0.744 1 1 527 . 7 1 1 A 47 47 ALA CA C 53 49.918 50.963 -1.045 1 1 528 . 7 1 1 A 47 47 ALA CB C 53 22.720 23.288 -0.568 1 1 529 . 7 1 1 A 47 47 ALA N N 53 124.355 121.834 2.521 1 1 530 . 7 1 1 A 48 48 GLU H H 54 8.156 9.276 -1.120 1 1 531 . 7 1 1 A 48 48 GLU HA H 54 5.488 5.431 0.057 1 1 536 . 7 1 1 A 48 48 GLU C C 54 174.224 174.151 0.073 1 1 537 . 7 1 1 A 48 48 GLU CA C 54 54.346 54.508 -0.162 1 1 538 . 7 1 1 A 48 48 GLU CB C 54 34.305 34.016 0.289 1 1 540 . 7 1 1 A 48 48 GLU N N 54 116.655 116.533 0.122 1 1 541 . 7 1 1 A 49 49 LYS H H 55 8.852 8.758 0.094 1 1 542 . 7 1 1 A 49 49 LYS HA H 55 4.190 4.874 -0.684 1 1 549 . 7 1 1 A 49 49 LYS C C 55 172.887 176.212 -3.325 1 1 550 . 7 1 1 A 49 49 LYS CA C 55 56.414 54.594 1.820 1 1 551 . 7 1 1 A 49 49 LYS CB C 55 34.723 35.350 -0.627 1 1 554 . 7 1 1 A 49 49 LYS N N 55 122.922 120.212 2.710 1 1 555 . 7 1 1 A 50 50 THR H H 56 7.910 8.653 -0.743 1 1 556 . 7 1 1 A 50 50 THR HA H 56 4.908 4.628 0.280 1 1 561 . 7 1 1 A 50 50 THR C C 56 173.112 173.817 -0.705 1 1 562 . 7 1 1 A 50 50 THR CA C 56 61.998 61.670 0.328 1 1 563 . 7 1 1 A 50 50 THR CB C 56 68.596 69.782 -1.186 1 1 565 . 7 1 1 A 50 50 THR N N 56 120.811 116.886 3.925 1 1 566 . 7 1 1 A 51 51 TYR H H 57 9.432 9.099 0.333 1 1 567 . 7 1 1 A 51 51 TYR HA H 57 4.493 5.243 -0.750 1 1 574 . 7 1 1 A 51 51 TYR C C 57 174.156 175.597 -1.441 1 1 575 . 7 1 1 A 51 51 TYR CA C 57 57.375 55.763 1.612 1 1 576 . 7 1 1 A 51 51 TYR CB C 57 41.895 43.003 -1.108 1 1 577 . 7 1 1 A 51 51 TYR N N 57 127.372 121.319 6.053 1 1 578 . 7 1 1 A 52 52 GLY H H 58 9.154 8.507 0.647 1 1 579 . 7 1 1 A 52 52 GLY HA2 H 58 3.543 4.272 -0.729 1 1 580 . 7 1 1 A 52 52 GLY HA3 H 58 3.543 4.277 -0.734 1 1 581 . 7 1 1 A 52 52 GLY C C 58 172.527 173.623 -1.096 1 1 582 . 7 1 1 A 52 52 GLY CA C 58 42.304 45.897 -3.593 1 1 583 . 7 1 1 A 52 52 GLY N N 58 108.920 109.380 -0.460 1 1 584 . 7 1 1 A 53 53 ASN H H 59 8.877 9.363 -0.486 1 1 585 . 7 1 1 A 53 53 ASN HA H 59 4.034 4.543 -0.509 1 1 588 . 7 1 1 A 53 53 ASN C C 59 176.319 174.510 1.809 1 1 589 . 7 1 1 A 53 53 ASN CA C 59 57.108 54.093 3.015 1 1 590 . 7 1 1 A 53 53 ASN CB C 59 39.672 37.343 2.329 1 1 591 . 7 1 1 A 53 53 ASN N N 59 117.281 120.985 -3.704 1 1 592 . 7 1 1 A 54 54 GLY H H 60 8.949 8.573 0.376 1 1 593 . 7 1 1 A 54 54 GLY HA2 H 60 4.222 3.987 0.235 1 1 594 . 7 1 1 A 54 54 GLY HA3 H 60 3.348 4.007 -0.659 1 1 595 . 7 1 1 A 54 54 GLY C C 60 174.096 172.010 2.086 1 1 596 . 7 1 1 A 54 54 GLY CA C 60 44.931 44.537 0.394 1 1 597 . 7 1 1 A 54 54 GLY N N 60 114.860 105.134 9.726 1 1 598 . 7 1 1 A 55 55 ASP H H 61 7.991 8.375 -0.384 1 1 599 . 7 1 1 A 55 55 ASP HA H 61 4.493 5.001 -0.508 1 1 602 . 7 1 1 A 55 55 ASP C C 61 174.727 173.877 0.850 1 1 603 . 7 1 1 A 55 55 ASP CA C 61 54.408 52.889 1.519 1 1 604 . 7 1 1 A 55 55 ASP CB C 61 41.780 43.150 -1.370 1 1 605 . 7 1 1 A 55 55 ASP N N 61 121.974 124.295 -2.321 1 1 606 . 7 1 1 A 56 56 SER H H 62 8.485 8.284 0.201 1 1 607 . 7 1 1 A 56 56 SER HA H 62 4.959 5.224 -0.265 1 1 610 . 7 1 1 A 56 56 SER C C 62 173.099 171.724 1.375 1 1 611 . 7 1 1 A 56 56 SER CA C 62 57.154 56.931 0.223 1 1 612 . 7 1 1 A 56 56 SER CB C 62 64.522 66.295 -1.773 1 1 613 . 7 1 1 A 56 56 SER N N 62 113.088 113.914 -0.826 1 1 614 . 7 1 1 A 57 57 LEU H H 63 9.004 8.864 0.140 1 1 615 . 7 1 1 A 57 57 LEU HA H 63 4.500 4.862 -0.362 1 1 625 . 7 1 1 A 57 57 LEU C C 63 175.943 174.804 1.139 1 1 626 . 7 1 1 A 57 57 LEU CA C 63 53.070 54.063 -0.993 1 1 627 . 7 1 1 A 57 57 LEU CB C 63 43.800 43.311 0.489 1 1 630 . 7 1 1 A 57 57 LEU N N 63 126.423 126.598 -0.175 1 1 631 . 7 1 1 A 58 58 ASN H H 64 8.484 8.893 -0.409 1 1 632 . 7 1 1 A 58 58 ASN HA H 64 4.752 5.287 -0.535 1 1 635 . 7 1 1 A 58 58 ASN C C 64 173.916 175.161 -1.245 1 1 636 . 7 1 1 A 58 58 ASN CA C 64 50.587 52.197 -1.610 1 1 637 . 7 1 1 A 58 58 ASN CB C 64 35.153 40.469 -5.316 1 1 638 . 7 1 1 A 58 58 ASN N N 64 125.624 125.125 0.499 1 1 639 . 7 1 1 A 59 59 THR H H 65 7.747 8.773 -1.026 1 1 640 . 7 1 1 A 59 59 THR HA H 65 4.770 4.606 0.164 1 1 645 . 7 1 1 A 59 59 THR C C 65 177.245 173.655 3.590 1 1 646 . 7 1 1 A 59 59 THR CA C 65 63.213 61.311 1.902 1 1 647 . 7 1 1 A 59 59 THR CB C 65 63.510 69.481 -5.971 1 1 649 . 7 1 1 A 59 59 THR N N 65 113.770 117.020 -3.250 1 1 650 . 7 1 1 A 60 60 GLY H H 66 8.869 8.296 0.573 1 1 651 . 7 1 1 A 60 60 GLY HA2 H 66 3.839 3.893 -0.054 1 1 652 . 7 1 1 A 60 60 GLY HA3 H 66 3.724 3.905 -0.181 1 1 653 . 7 1 1 A 60 60 GLY C C 66 173.279 174.744 -1.465 1 1 654 . 7 1 1 A 60 60 GLY CA C 66 44.892 45.819 -0.927 1 1 655 . 7 1 1 A 60 60 GLY N N 66 114.430 111.985 2.445 1 1 656 . 7 1 1 A 61 61 LYS H H 67 6.376 9.228 -2.852 1 1 657 . 7 1 1 A 61 61 LYS HA H 67 4.021 4.008 0.013 1 1 666 . 7 1 1 A 61 61 LYS C C 67 176.315 176.900 -0.585 1 1 667 . 7 1 1 A 61 61 LYS CA C 67 54.298 58.171 -3.873 1 1 668 . 7 1 1 A 61 61 LYS CB C 67 32.200 31.071 1.129 1 1 672 . 7 1 1 A 61 61 LYS N N 67 112.620 119.637 -7.017 1 1 673 . 7 1 1 A 62 62 LEU H H 68 7.335 8.759 -1.424 1 1 674 . 7 1 1 A 62 62 LEU HA H 68 4.275 3.980 0.295 1 1 684 . 7 1 1 A 62 62 LEU C C 68 176.306 176.149 0.157 1 1 685 . 7 1 1 A 62 62 LEU CA C 68 52.479 55.960 -3.481 1 1 686 . 7 1 1 A 62 62 LEU CB C 68 40.600 40.158 0.442 1 1 689 . 7 1 1 A 62 62 LEU N N 68 116.704 119.831 -3.127 1 1 690 . 7 1 1 A 63 63 LYS H H 69 8.506 8.091 0.415 1 1 691 . 7 1 1 A 63 63 LYS HA H 69 3.992 4.274 -0.282 1 1 700 . 7 1 1 A 63 63 LYS C C 69 175.886 176.538 -0.652 1 1 701 . 7 1 1 A 63 63 LYS CA C 69 54.986 57.916 -2.930 1 1 702 . 7 1 1 A 63 63 LYS CB C 69 32.447 32.982 -0.535 1 1 706 . 7 1 1 A 63 63 LYS N N 69 119.841 119.018 0.823 1 1 707 . 7 1 1 A 64 64 ASN H H 70 8.080 8.385 -0.305 1 1 708 . 7 1 1 A 64 64 ASN HA H 70 3.839 4.372 -0.533 1 1 713 . 7 1 1 A 64 64 ASN C C 70 174.449 175.034 -0.585 1 1 714 . 7 1 1 A 64 64 ASN CA C 70 54.417 54.550 -0.133 1 1 715 . 7 1 1 A 64 64 ASN CB C 70 38.129 36.804 1.325 1 1 716 . 7 1 1 A 64 64 ASN N N 70 121.515 115.909 5.606 1 1 718 . 7 1 1 A 65 65 ASP H H 71 9.218 8.806 0.412 1 1 719 . 7 1 1 A 65 65 ASP HA H 71 3.690 4.509 -0.819 1 1 722 . 7 1 1 A 65 65 ASP C C 71 173.016 175.064 -2.048 1 1 723 . 7 1 1 A 65 65 ASP CA C 71 54.726 54.962 -0.236 1 1 724 . 7 1 1 A 65 65 ASP CB C 71 38.534 38.666 -0.132 1 1 725 . 7 1 1 A 65 65 ASP N N 71 113.370 115.103 -1.733 1 1 726 . 7 1 1 A 66 66 LYS H H 72 6.443 7.838 -1.395 1 1 727 . 7 1 1 A 66 66 LYS HA H 72 4.411 4.857 -0.446 1 1 734 . 7 1 1 A 66 66 LYS C C 72 174.745 174.964 -0.219 1 1 735 . 7 1 1 A 66 66 LYS CA C 72 53.094 54.333 -1.239 1 1 736 . 7 1 1 A 66 66 LYS CB C 72 36.099 35.913 0.186 1 1 739 . 7 1 1 A 66 66 LYS N N 72 113.415 116.979 -3.564 1 1 740 . 7 1 1 A 67 67 VAL H H 73 8.679 8.491 0.188 1 1 741 . 7 1 1 A 67 67 VAL HA H 73 4.189 4.484 -0.295 1 1 749 . 7 1 1 A 67 67 VAL C C 73 176.630 175.017 1.613 1 1 750 . 7 1 1 A 67 67 VAL CA C 73 62.135 60.564 1.571 1 1 751 . 7 1 1 A 67 67 VAL CB C 73 32.001 33.109 -1.108 1 1 753 . 7 1 1 A 67 67 VAL N N 73 122.098 117.579 4.519 1 1 754 . 7 1 1 A 68 68 SER H H 74 9.497 8.846 0.651 1 1 755 . 7 1 1 A 68 68 SER HA H 74 4.507 5.233 -0.726 1 1 758 . 7 1 1 A 68 68 SER C C 74 172.249 173.529 -1.280 1 1 759 . 7 1 1 A 68 68 SER CA C 74 58.323 56.426 1.897 1 1 760 . 7 1 1 A 68 68 SER CB C 74 64.028 64.694 -0.666 1 1 761 . 7 1 1 A 68 68 SER N N 74 127.048 120.761 6.287 1 1 762 . 7 1 1 A 69 69 ARG H H 75 7.848 8.383 -0.535 1 1 763 . 7 1 1 A 69 69 ARG HA H 75 5.031 4.213 0.818 1 1 770 . 7 1 1 A 69 69 ARG C C 75 173.300 175.715 -2.415 1 1 771 . 7 1 1 A 69 69 ARG CA C 75 55.337 56.161 -0.824 1 1 772 . 7 1 1 A 69 69 ARG CB C 75 31.871 30.481 1.390 1 1 775 . 7 1 1 A 69 69 ARG N N 75 122.621 123.330 -0.709 1 1 776 . 7 1 1 A 70 70 PHE H H 76 9.246 8.636 0.610 1 1 777 . 7 1 1 A 70 70 PHE HA H 76 4.808 5.008 -0.200 1 1 784 . 7 1 1 A 70 70 PHE C C 76 175.788 174.710 1.078 1 1 785 . 7 1 1 A 70 70 PHE CA C 76 55.245 56.698 -1.453 1 1 786 . 7 1 1 A 70 70 PHE CB C 76 43.645 43.388 0.257 1 1 787 . 7 1 1 A 70 70 PHE N N 76 118.087 120.547 -2.460 1 1 788 . 7 1 1 A 71 71 ASP H H 77 9.144 8.687 0.457 1 1 789 . 7 1 1 A 71 71 ASP HA H 77 5.360 5.333 0.027 1 1 792 . 7 1 1 A 71 71 ASP C C 77 176.477 175.815 0.662 1 1 793 . 7 1 1 A 71 71 ASP CA C 77 55.131 53.526 1.605 1 1 794 . 7 1 1 A 71 71 ASP CB C 77 41.301 43.115 -1.814 1 1 795 . 7 1 1 A 71 71 ASP N N 77 123.565 121.922 1.643 1 1 796 . 7 1 1 A 72 72 PHE H H 78 9.094 8.798 0.296 1 1 797 . 7 1 1 A 72 72 PHE HA H 78 6.431 5.777 0.654 1 1 805 . 7 1 1 A 72 72 PHE C C 78 174.014 172.778 1.236 1 1 806 . 7 1 1 A 72 72 PHE CA C 78 54.934 55.545 -0.611 1 1 807 . 7 1 1 A 72 72 PHE CB C 78 42.491 42.764 -0.273 1 1 808 . 7 1 1 A 72 72 PHE N N 78 119.663 118.395 1.268 1 1 809 . 7 1 1 A 73 73 ILE H H 79 8.623 9.060 -0.437 1 1 810 . 7 1 1 A 73 73 ILE HA H 79 4.334 5.090 -0.756 1 1 820 . 7 1 1 A 73 73 ILE C C 79 173.961 173.764 0.197 1 1 821 . 7 1 1 A 73 73 ILE CA C 79 61.222 59.022 2.200 1 1 822 . 7 1 1 A 73 73 ILE CB C 79 41.918 41.948 -0.030 1 1 826 . 7 1 1 A 73 73 ILE N N 79 119.750 117.464 2.286 1 1 827 . 7 1 1 A 74 74 ARG H H 80 9.052 9.255 -0.203 1 1 828 . 7 1 1 A 74 74 ARG HA H 80 5.311 5.146 0.165 1 1 835 . 7 1 1 A 74 74 ARG C C 80 174.870 174.549 0.321 1 1 836 . 7 1 1 A 74 74 ARG CA C 80 54.449 54.440 0.009 1 1 837 . 7 1 1 A 74 74 ARG CB C 80 33.740 33.056 0.684 1 1 840 . 7 1 1 A 74 74 ARG N N 80 128.407 123.280 5.127 1 1 841 . 7 1 1 A 75 75 GLN H H 81 9.304 8.636 0.668 1 1 842 . 7 1 1 A 75 75 GLN HA H 81 5.562 5.058 0.504 1 1 849 . 7 1 1 A 75 75 GLN C C 81 173.678 174.338 -0.660 1 1 850 . 7 1 1 A 75 75 GLN CA C 81 53.745 54.698 -0.953 1 1 851 . 7 1 1 A 75 75 GLN CB C 81 34.013 30.740 3.273 1 1 853 . 7 1 1 A 75 75 GLN N N 81 125.481 127.182 -1.701 1 1 855 . 7 1 1 A 76 76 ILE H H 82 8.592 8.736 -0.144 1 1 856 . 7 1 1 A 76 76 ILE HA H 82 4.576 4.454 0.122 1 1 866 . 7 1 1 A 76 76 ILE C C 82 172.511 174.985 -2.474 1 1 867 . 7 1 1 A 76 76 ILE CA C 82 59.622 61.217 -1.595 1 1 868 . 7 1 1 A 76 76 ILE CB C 82 42.248 39.554 2.694 1 1 872 . 7 1 1 A 76 76 ILE N N 82 115.536 128.381 -12.845 1 1 873 . 7 1 1 A 77 77 GLU H H 83 8.433 8.563 -0.130 1 1 874 . 7 1 1 A 77 77 GLU HA H 83 4.936 4.924 0.012 1 1 879 . 7 1 1 A 77 77 GLU C C 83 175.614 175.027 0.587 1 1 880 . 7 1 1 A 77 77 GLU CA C 83 54.812 55.284 -0.472 1 1 881 . 7 1 1 A 77 77 GLU CB C 83 30.465 30.568 -0.103 1 1 883 . 7 1 1 A 77 77 GLU N N 83 124.858 129.105 -4.247 1 1 884 . 7 1 1 A 78 78 VAL H H 84 8.879 8.441 0.438 1 1 885 . 7 1 1 A 78 78 VAL HA H 84 4.076 4.337 -0.261 1 1 893 . 7 1 1 A 78 78 VAL C C 84 175.694 175.560 0.134 1 1 894 . 7 1 1 A 78 78 VAL CA C 84 61.382 61.363 0.019 1 1 895 . 7 1 1 A 78 78 VAL CB C 84 34.014 31.448 2.566 1 1 897 . 7 1 1 A 78 78 VAL N N 84 126.973 127.468 -0.495 1 1 898 . 7 1 1 A 79 79 ASP H H 85 9.329 9.457 -0.128 1 1 899 . 7 1 1 A 79 79 ASP HA H 85 4.156 4.325 -0.169 1 1 902 . 7 1 1 A 79 79 ASP C C 85 175.774 176.132 -0.358 1 1 903 . 7 1 1 A 79 79 ASP CA C 85 55.125 55.283 -0.158 1 1 904 . 7 1 1 A 79 79 ASP CB C 85 38.926 39.544 -0.618 1 1 905 . 7 1 1 A 79 79 ASP N N 85 129.387 129.335 0.052 1 1 906 . 7 1 1 A 80 80 GLY H H 86 8.575 8.574 0.001 1 1 907 . 7 1 1 A 80 80 GLY HA2 H 86 3.992 3.855 0.137 1 1 908 . 7 1 1 A 80 80 GLY HA3 H 86 3.507 3.856 -0.349 1 1 909 . 7 1 1 A 80 80 GLY C C 86 173.366 173.742 -0.376 1 1 910 . 7 1 1 A 80 80 GLY CA C 86 44.759 45.512 -0.753 1 1 911 . 7 1 1 A 80 80 GLY N N 86 103.293 104.624 -1.331 1 1 912 . 7 1 1 A 81 81 GLN H H 87 7.751 7.896 -0.145 1 1 913 . 7 1 1 A 81 81 GLN HA H 87 4.482 4.757 -0.275 1 1 918 . 7 1 1 A 81 81 GLN C C 87 173.874 174.952 -1.078 1 1 919 . 7 1 1 A 81 81 GLN CA C 87 53.328 54.368 -1.040 1 1 920 . 7 1 1 A 81 81 GLN CB C 87 30.670 31.187 -0.517 1 1 922 . 7 1 1 A 81 81 GLN N N 87 119.688 118.865 0.823 1 1 923 . 7 1 1 A 82 82 LEU H H 88 8.418 8.861 -0.443 1 1 924 . 7 1 1 A 82 82 LEU HA H 88 4.630 5.206 -0.576 1 1 934 . 7 1 1 A 82 82 LEU C C 88 176.289 175.981 0.308 1 1 935 . 7 1 1 A 82 82 LEU CA C 88 53.834 53.390 0.444 1 1 936 . 7 1 1 A 82 82 LEU CB C 88 41.737 44.766 -3.029 1 1 940 . 7 1 1 A 82 82 LEU N N 88 123.523 122.416 1.107 1 1 941 . 7 1 1 A 83 83 ILE H H 89 9.146 8.974 0.172 1 1 942 . 7 1 1 A 83 83 ILE HA H 89 4.249 4.932 -0.683 1 1 952 . 7 1 1 A 83 83 ILE C C 89 175.698 175.095 0.603 1 1 953 . 7 1 1 A 83 83 ILE CA C 89 59.363 59.816 -0.453 1 1 954 . 7 1 1 A 83 83 ILE CB C 89 39.633 41.782 -2.149 1 1 958 . 7 1 1 A 83 83 ILE N N 89 127.151 123.101 4.050 1 1 959 . 7 1 1 A 84 84 THR H H 90 8.656 8.807 -0.151 1 1 960 . 7 1 1 A 84 84 THR HA H 90 4.203 4.629 -0.426 1 1 965 . 7 1 1 A 84 84 THR C C 90 172.890 174.437 -1.547 1 1 966 . 7 1 1 A 84 84 THR CA C 90 62.641 61.063 1.578 1 1 967 . 7 1 1 A 84 84 THR CB C 90 68.634 68.962 -0.328 1 1 969 . 7 1 1 A 84 84 THR N N 90 123.099 120.611 2.488 1 1 970 . 7 1 1 A 85 85 LEU H H 91 8.967 8.323 0.644 1 1 971 . 7 1 1 A 85 85 LEU HA H 91 4.256 4.712 -0.456 1 1 980 . 7 1 1 A 85 85 LEU C C 91 177.371 175.922 1.449 1 1 981 . 7 1 1 A 85 85 LEU CA C 91 55.527 54.236 1.291 1 1 982 . 7 1 1 A 85 85 LEU CB C 91 44.315 42.995 1.320 1 1 984 . 7 1 1 A 85 85 LEU N N 91 125.333 127.823 -2.490 1 1 985 . 7 1 1 A 86 86 GLU H H 92 7.503 7.867 -0.364 1 1 986 . 7 1 1 A 86 86 GLU HA H 92 5.026 4.862 0.164 1 1 991 . 7 1 1 A 86 86 GLU C C 92 172.723 175.788 -3.065 1 1 992 . 7 1 1 A 86 86 GLU CA C 92 54.670 55.255 -0.585 1 1 993 . 7 1 1 A 86 86 GLU CB C 92 33.717 30.963 2.754 1 1 995 . 7 1 1 A 86 86 GLU N N 92 116.655 119.787 -3.132 1 1 996 . 7 1 1 A 87 87 SER H H 93 8.954 8.680 0.274 1 1 997 . 7 1 1 A 87 87 SER HA H 93 4.245 5.249 -1.004 1 1 1000 . 7 1 1 A 87 87 SER C C 93 172.763 173.329 -0.566 1 1 1001 . 7 1 1 A 87 87 SER CA C 93 57.328 56.968 0.360 1 1 1002 . 7 1 1 A 87 87 SER CB C 93 65.493 66.197 -0.704 1 1 1003 . 7 1 1 A 87 87 SER N N 93 117.941 119.973 -2.032 1 1 1004 . 7 1 1 A 88 88 GLY H H 94 6.932 7.211 -0.279 1 1 1005 . 7 1 1 A 88 88 GLY HA2 H 94 3.694 4.103 -0.409 1 1 1006 . 7 1 1 A 88 88 GLY HA3 H 94 3.694 4.184 -0.490 1 1 1007 . 7 1 1 A 88 88 GLY C C 94 171.117 171.702 -0.585 1 1 1008 . 7 1 1 A 88 88 GLY CA C 94 46.575 45.653 0.922 1 1 1009 . 7 1 1 A 88 88 GLY N N 94 108.625 109.016 -0.391 1 1 1010 . 7 1 1 A 89 89 GLU H H 95 9.669 9.055 0.614 1 1 1011 . 7 1 1 A 89 89 GLU HA H 95 5.642 4.942 0.700 1 1 1016 . 7 1 1 A 89 89 GLU C C 95 173.226 175.651 -2.425 1 1 1017 . 7 1 1 A 89 89 GLU CA C 95 54.786 54.819 -0.033 1 1 1018 . 7 1 1 A 89 89 GLU CB C 95 34.334 30.942 3.392 1 1 1020 . 7 1 1 A 89 89 GLU N N 95 128.231 120.990 7.241 1 1 1021 . 7 1 1 A 90 90 PHE H H 96 10.365 9.428 0.937 1 1 1022 . 7 1 1 A 90 90 PHE HA H 96 5.048 4.421 0.627 1 1 1029 . 7 1 1 A 90 90 PHE C C 96 173.039 174.093 -1.054 1 1 1030 . 7 1 1 A 90 90 PHE CA C 96 54.616 57.349 -2.733 1 1 1031 . 7 1 1 A 90 90 PHE CB C 96 42.090 38.848 3.242 1 1 1032 . 7 1 1 A 90 90 PHE N N 96 131.583 129.506 2.077 1 1 1033 . 7 1 1 A 91 91 GLN H H 97 8.685 8.504 0.181 1 1 1034 . 7 1 1 A 91 91 GLN HA H 97 4.959 4.660 0.299 1 1 1041 . 7 1 1 A 91 91 GLN C C 97 174.151 174.823 -0.672 1 1 1042 . 7 1 1 A 91 91 GLN CA C 97 53.174 55.337 -2.163 1 1 1043 . 7 1 1 A 91 91 GLN CB C 97 28.812 29.443 -0.631 1 1 1045 . 7 1 1 A 91 91 GLN N N 97 126.465 125.725 0.740 1 1 1047 . 7 1 1 A 92 92 VAL H H 98 8.675 8.583 0.092 1 1 1048 . 7 1 1 A 92 92 VAL HA H 98 4.569 4.528 0.041 1 1 1056 . 7 1 1 A 92 92 VAL C C 98 173.802 173.894 -0.092 1 1 1057 . 7 1 1 A 92 92 VAL CA C 98 59.715 61.129 -1.414 1 1 1058 . 7 1 1 A 92 92 VAL CB C 98 35.074 34.180 0.894 1 1 1061 . 7 1 1 A 92 92 VAL N N 98 118.841 124.960 -6.119 1 1 1062 . 7 1 1 A 93 93 TYR H H 99 8.896 8.999 -0.103 1 1 1063 . 7 1 1 A 93 93 TYR HA H 99 4.940 4.815 0.125 1 1 1070 . 7 1 1 A 93 93 TYR C C 99 173.330 174.981 -1.651 1 1 1071 . 7 1 1 A 93 93 TYR CA C 99 56.948 57.548 -0.600 1 1 1072 . 7 1 1 A 93 93 TYR CB C 99 40.780 40.063 0.717 1 1 1073 . 7 1 1 A 93 93 TYR N N 99 127.563 127.841 -0.278 1 1 1074 . 7 1 1 A 94 94 LYS H H 100 5.813 8.896 -3.083 1 1 1075 . 7 1 1 A 94 94 LYS HA H 100 4.248 5.136 -0.888 1 1 1082 . 7 1 1 A 94 94 LYS CA C 100 55.660 54.949 0.711 1 1 1083 . 7 1 1 A 94 94 LYS CB C 100 35.870 35.058 0.812 1 1 1084 . 7 1 1 A 94 94 LYS N N 100 128.378 124.683 3.695 1 1 1085 . 7 1 1 A 95 95 GLN H H 101 8.438 8.146 0.292 1 1 1086 . 7 1 1 A 95 95 GLN HA H 101 5.028 4.763 0.265 1 1 1091 . 7 1 1 A 95 95 GLN C C 101 174.080 176.310 -2.230 1 1 1092 . 7 1 1 A 95 95 GLN CA C 101 54.043 53.791 0.252 1 1 1093 . 7 1 1 A 95 95 GLN CB C 101 27.209 31.650 -4.441 1 1 1095 . 7 1 1 A 95 95 GLN N N 101 125.809 123.293 2.516 1 1 1096 . 7 1 1 A 96 96 SER H H 102 9.057 8.791 0.266 1 1 1097 . 7 1 1 A 96 96 SER HA H 102 3.041 3.977 -0.936 1 1 1100 . 7 1 1 A 96 96 SER CA C 102 62.985 62.333 0.652 1 1 1101 . 7 1 1 A 96 96 SER CB C 102 63.242 63.179 0.063 1 1 1102 . 7 1 1 A 96 96 SER N N 102 117.650 115.611 2.039 1 1 1103 . 7 1 1 A 97 97 HIS H H 103 10.115 8.234 1.881 1 1 1104 . 7 1 1 A 97 97 HIS HA H 103 4.406 4.749 -0.343 1 1 1109 . 7 1 1 A 97 97 HIS CA C 103 53.809 56.898 -3.089 1 1 1110 . 7 1 1 A 97 97 HIS CB C 103 30.329 31.918 -1.589 1 1 1111 . 7 1 1 A 97 97 HIS N N 103 118.385 114.226 4.159 1 1 1112 . 7 1 1 A 98 98 SER H H 104 7.241 7.591 -0.350 1 1 1113 . 7 1 1 A 98 98 SER HA H 104 4.406 4.634 -0.228 1 1 1116 . 7 1 1 A 98 98 SER CA C 104 56.712 58.309 -1.597 1 1 1117 . 7 1 1 A 98 98 SER CB C 104 65.461 64.867 0.594 1 1 1118 . 7 1 1 A 98 98 SER N N 104 112.298 113.455 -1.157 1 1 1119 . 7 1 1 A 99 99 ALA H H 105 8.418 8.388 0.030 1 1 1120 . 7 1 1 A 99 99 ALA HA H 105 4.753 5.153 -0.400 1 1 1124 . 7 1 1 A 99 99 ALA C C 105 173.181 175.951 -2.770 1 1 1125 . 7 1 1 A 99 99 ALA CA C 105 51.363 51.532 -0.169 1 1 1126 . 7 1 1 A 99 99 ALA CB C 105 22.271 23.025 -0.754 1 1 1127 . 7 1 1 A 99 99 ALA N N 105 116.790 122.494 -5.704 1 1 1128 . 7 1 1 A 100 100 LEU H H 106 8.376 8.768 -0.392 1 1 1129 . 7 1 1 A 100 100 LEU HA H 106 5.549 5.320 0.229 1 1 1139 . 7 1 1 A 100 100 LEU C C 106 175.338 174.802 0.536 1 1 1140 . 7 1 1 A 100 100 LEU CA C 106 53.753 53.001 0.752 1 1 1141 . 7 1 1 A 100 100 LEU CB C 106 46.393 46.325 0.068 1 1 1145 . 7 1 1 A 100 100 LEU N N 106 115.214 117.860 -2.646 1 1 1146 . 7 1 1 A 101 101 THR H H 107 8.685 8.884 -0.199 1 1 1147 . 7 1 1 A 101 101 THR HA H 107 5.287 5.105 0.182 1 1 1152 . 7 1 1 A 101 101 THR C C 107 172.493 172.666 -0.173 1 1 1153 . 7 1 1 A 101 101 THR CA C 107 57.069 59.627 -2.558 1 1 1154 . 7 1 1 A 101 101 THR CB C 107 71.308 71.838 -0.530 1 1 1156 . 7 1 1 A 101 101 THR N N 107 109.441 116.444 -7.003 1 1 1157 . 7 1 1 A 102 102 ALA H H 108 8.459 8.207 0.252 1 1 1158 . 7 1 1 A 102 102 ALA HA H 108 4.366 4.977 -0.611 1 1 1162 . 7 1 1 A 102 102 ALA C C 108 173.439 175.872 -2.433 1 1 1163 . 7 1 1 A 102 102 ALA CA C 108 51.015 50.800 0.215 1 1 1164 . 7 1 1 A 102 102 ALA CB C 108 23.424 23.417 0.007 1 1 1165 . 7 1 1 A 102 102 ALA N N 108 120.716 126.592 -5.876 1 1 1166 . 7 1 1 A 103 103 PHE H H 109 8.510 8.780 -0.270 1 1 1167 . 7 1 1 A 103 103 PHE HA H 109 4.715 5.083 -0.368 1 1 1175 . 7 1 1 A 103 103 PHE C C 109 174.173 174.591 -0.418 1 1 1176 . 7 1 1 A 103 103 PHE CA C 109 56.640 56.387 0.253 1 1 1177 . 7 1 1 A 103 103 PHE CB C 109 41.926 41.562 0.364 1 1 1178 . 7 1 1 A 103 103 PHE N N 109 115.041 118.757 -3.716 1 1 1179 . 7 1 1 A 104 104 GLN H H 110 9.832 9.150 0.682 1 1 1180 . 7 1 1 A 104 104 GLN HA H 110 5.226 5.511 -0.285 1 1 1187 . 7 1 1 A 104 104 GLN C C 110 175.186 174.404 0.782 1 1 1188 . 7 1 1 A 104 104 GLN CA C 110 53.213 54.999 -1.786 1 1 1189 . 7 1 1 A 104 104 GLN CB C 110 29.161 32.856 -3.695 1 1 1191 . 7 1 1 A 104 104 GLN N N 110 124.526 121.249 3.277 1 1 1193 . 7 1 1 A 105 105 THR H H 111 9.566 8.748 0.818 1 1 1194 . 7 1 1 A 105 105 THR HA H 111 4.186 4.970 -0.784 1 1 1199 . 7 1 1 A 105 105 THR C C 111 174.538 172.957 1.581 1 1 1200 . 7 1 1 A 105 105 THR CA C 111 66.408 60.481 5.927 1 1 1201 . 7 1 1 A 105 105 THR CB C 111 69.385 69.879 -0.494 1 1 1203 . 7 1 1 A 105 105 THR N N 111 126.760 119.265 7.495 1 1 1204 . 7 1 1 A 106 106 GLU H H 112 9.303 9.093 0.210 1 1 1205 . 7 1 1 A 106 106 GLU HA H 112 4.811 4.698 0.113 1 1 1210 . 7 1 1 A 106 106 GLU C C 112 177.397 175.953 1.444 1 1 1211 . 7 1 1 A 106 106 GLU CA C 112 56.227 57.275 -1.048 1 1 1212 . 7 1 1 A 106 106 GLU CB C 112 31.283 32.397 -1.114 1 1 1214 . 7 1 1 A 106 106 GLU N N 112 121.685 122.989 -1.304 1 1 1215 . 7 1 1 A 107 107 GLN H H 113 7.954 7.689 0.265 1 1 1216 . 7 1 1 A 107 107 GLN HA H 113 5.233 4.827 0.406 1 1 1221 . 7 1 1 A 107 107 GLN C C 113 173.999 174.631 -0.632 1 1 1222 . 7 1 1 A 107 107 GLN CA C 113 53.837 54.541 -0.704 1 1 1223 . 7 1 1 A 107 107 GLN CB C 113 32.543 32.453 0.090 1 1 1225 . 7 1 1 A 107 107 GLN N N 113 117.612 116.666 0.946 1 1 1226 . 7 1 1 A 108 108 ILE H H 114 8.969 8.512 0.457 1 1 1227 . 7 1 1 A 108 108 ILE HA H 114 4.907 4.785 0.122 1 1 1237 . 7 1 1 A 108 108 ILE C C 114 174.089 175.300 -1.211 1 1 1238 . 7 1 1 A 108 108 ILE CA C 114 58.954 58.734 0.220 1 1 1239 . 7 1 1 A 108 108 ILE CB C 114 42.799 41.940 0.859 1 1 1243 . 7 1 1 A 108 108 ILE N N 114 115.049 119.113 -4.064 1 1 1244 . 7 1 1 A 109 109 GLN H H 115 7.421 8.330 -0.909 1 1 1245 . 7 1 1 A 109 109 GLN HA H 115 4.405 4.385 0.020 1 1 1252 . 7 1 1 A 109 109 GLN C C 115 175.654 174.492 1.162 1 1 1253 . 7 1 1 A 109 109 GLN CA C 115 56.086 54.596 1.490 1 1 1254 . 7 1 1 A 109 109 GLN CB C 115 28.483 29.108 -0.625 1 1 1256 . 7 1 1 A 109 109 GLN N N 115 121.959 121.369 0.590 1 1 1258 . 7 1 1 A 110 110 ASP H H 116 8.569 8.490 0.079 1 1 1259 . 7 1 1 A 110 110 ASP HA H 116 4.377 5.136 -0.759 1 1 1262 . 7 1 1 A 110 110 ASP C C 116 176.662 175.465 1.197 1 1 1263 . 7 1 1 A 110 110 ASP CA C 116 53.511 52.801 0.710 1 1 1264 . 7 1 1 A 110 110 ASP CB C 116 41.187 43.889 -2.702 1 1 1265 . 7 1 1 A 110 110 ASP N N 116 125.621 120.404 5.217 1 1 1266 . 7 1 1 A 111 111 SER H H 117 8.445 9.267 -0.822 1 1 1267 . 7 1 1 A 111 111 SER HA H 117 4.024 4.605 -0.581 1 1 1270 . 7 1 1 A 111 111 SER C C 117 174.783 174.711 0.072 1 1 1271 . 7 1 1 A 111 111 SER CA C 117 60.782 58.620 2.162 1 1 1272 . 7 1 1 A 111 111 SER CB C 117 62.560 62.536 0.024 1 1 1273 . 7 1 1 A 111 111 SER N N 117 120.732 121.819 -1.087 1 1 1274 . 7 1 1 A 112 112 GLU H H 118 8.246 8.275 -0.029 1 1 1275 . 7 1 1 A 112 112 GLU HA H 118 4.044 4.537 -0.493 1 1 1280 . 7 1 1 A 112 112 GLU C C 118 175.899 176.601 -0.702 1 1 1281 . 7 1 1 A 112 112 GLU CA C 118 56.016 57.158 -1.142 1 1 1282 . 7 1 1 A 112 112 GLU CB C 118 29.853 32.408 -2.555 1 1 1284 . 7 1 1 A 112 112 GLU N N 118 119.367 120.967 -1.600 1 1 1285 . 7 1 1 A 113 113 HIS H H 119 7.418 7.406 0.012 1 1 1286 . 7 1 1 A 113 113 HIS HA H 119 4.607 4.744 -0.137 1 1 1291 . 7 1 1 A 113 113 HIS C C 119 173.527 175.037 -1.510 1 1 1292 . 7 1 1 A 113 113 HIS CA C 119 54.515 55.311 -0.796 1 1 1293 . 7 1 1 A 113 113 HIS CB C 119 28.667 30.327 -1.660 1 1 1294 . 7 1 1 A 113 113 HIS N N 119 117.287 118.981 -1.694 1 1 1295 . 7 1 1 A 114 114 SER H H 120 8.398 8.184 0.214 1 1 1296 . 7 1 1 A 114 114 SER HA H 120 4.183 4.229 -0.046 1 1 1299 . 7 1 1 A 114 114 SER C C 120 175.690 174.489 1.201 1 1 1300 . 7 1 1 A 114 114 SER CA C 120 59.149 60.051 -0.902 1 1 1301 . 7 1 1 A 114 114 SER CB C 120 62.820 61.833 0.987 1 1 1302 . 7 1 1 A 114 114 SER N N 120 116.771 113.048 3.723 1 1 1303 . 7 1 1 A 115 115 GLY H H 121 8.733 8.090 0.643 1 1 1304 . 7 1 1 A 115 115 GLY HA2 H 121 4.052 4.145 -0.093 1 1 1305 . 7 1 1 A 115 115 GLY HA3 H 121 3.724 4.175 -0.451 1 1 1306 . 7 1 1 A 115 115 GLY C C 121 173.540 174.176 -0.636 1 1 1307 . 7 1 1 A 115 115 GLY CA C 121 44.692 45.695 -1.003 1 1 1308 . 7 1 1 A 115 115 GLY N N 121 112.197 106.030 6.167 1 1 1309 . 7 1 1 A 116 116 LYS H H 122 7.796 7.639 0.157 1 1 1310 . 7 1 1 A 116 116 LYS HA H 122 4.465 4.634 -0.169 1 1 1317 . 7 1 1 A 116 116 LYS C C 122 175.090 175.583 -0.493 1 1 1318 . 7 1 1 A 116 116 LYS CA C 122 55.122 55.688 -0.566 1 1 1319 . 7 1 1 A 116 116 LYS CB C 122 33.861 34.222 -0.361 1 1 1322 . 7 1 1 A 116 116 LYS N N 122 120.212 119.630 0.582 1 1 1323 . 7 1 1 A 117 117 MET H H 123 8.348 8.677 -0.329 1 1 1324 . 7 1 1 A 117 117 MET HA H 123 5.082 4.959 0.123 1 1 1332 . 7 1 1 A 117 117 MET C C 123 176.210 174.407 1.803 1 1 1333 . 7 1 1 A 117 117 MET CA C 123 52.928 54.576 -1.648 1 1 1334 . 7 1 1 A 117 117 MET CB C 123 33.841 35.551 -1.710 1 1 1337 . 7 1 1 A 117 117 MET N N 123 119.755 119.882 -0.127 1 1 1338 . 7 1 1 A 118 118 VAL H H 124 9.242 9.077 0.165 1 1 1339 . 7 1 1 A 118 118 VAL HA H 124 4.469 4.802 -0.333 1 1 1347 . 7 1 1 A 118 118 VAL C C 124 173.967 174.665 -0.698 1 1 1348 . 7 1 1 A 118 118 VAL CA C 124 59.056 59.628 -0.572 1 1 1349 . 7 1 1 A 118 118 VAL CB C 124 34.376 35.600 -1.224 1 1 1351 . 7 1 1 A 118 118 VAL N N 124 118.546 120.782 -2.236 1 1 1352 . 7 1 1 A 119 119 ALA H H 125 8.327 8.571 -0.244 1 1 1353 . 7 1 1 A 119 119 ALA HA H 125 4.624 4.538 0.086 1 1 1357 . 7 1 1 A 119 119 ALA C C 125 177.165 177.118 0.047 1 1 1358 . 7 1 1 A 119 119 ALA CA C 125 52.043 51.934 0.109 1 1 1359 . 7 1 1 A 119 119 ALA CB C 125 18.232 17.728 0.504 1 1 1360 . 7 1 1 A 119 119 ALA N N 125 125.947 126.368 -0.421 1 1 1361 . 7 1 1 A 120 120 LYS H H 126 7.604 7.373 0.231 1 1 1362 . 7 1 1 A 120 120 LYS HA H 126 4.046 4.526 -0.480 1 1 1371 . 7 1 1 A 120 120 LYS C C 126 172.631 175.715 -3.084 1 1 1372 . 7 1 1 A 120 120 LYS CA C 126 56.023 55.790 0.233 1 1 1373 . 7 1 1 A 120 120 LYS CB C 126 34.482 31.804 2.678 1 1 1377 . 7 1 1 A 120 120 LYS N N 126 126.149 117.515 8.634 1 1 1378 . 7 1 1 A 121 121 ARG H H 127 8.308 8.287 0.021 1 1 1379 . 7 1 1 A 121 121 ARG HA H 127 4.901 4.663 0.238 1 1 1384 . 7 1 1 A 121 121 ARG C C 127 176.253 175.440 0.813 1 1 1385 . 7 1 1 A 121 121 ARG CA C 127 55.564 55.391 0.173 1 1 1386 . 7 1 1 A 121 121 ARG CB C 127 28.273 28.540 -0.267 1 1 1388 . 7 1 1 A 121 121 ARG N N 127 122.760 126.521 -3.761 1 1 1389 . 7 1 1 A 122 122 GLN H H 128 7.529 9.084 -1.555 1 1 1390 . 7 1 1 A 122 122 GLN HA H 128 4.541 4.485 0.056 1 1 1397 . 7 1 1 A 122 122 GLN C C 128 172.163 174.658 -2.495 1 1 1398 . 7 1 1 A 122 122 GLN CA C 128 54.218 55.054 -0.836 1 1 1399 . 7 1 1 A 122 122 GLN CB C 128 32.064 27.727 4.337 1 1 1401 . 7 1 1 A 122 122 GLN N N 128 121.022 124.379 -3.357 1 1 1403 . 7 1 1 A 123 123 PHE H H 129 8.620 9.097 -0.477 1 1 1404 . 7 1 1 A 123 123 PHE HA H 129 6.040 5.136 0.904 1 1 1411 . 7 1 1 A 123 123 PHE C C 129 174.530 174.316 0.214 1 1 1412 . 7 1 1 A 123 123 PHE CA C 129 56.026 57.194 -1.168 1 1 1413 . 7 1 1 A 123 123 PHE CB C 129 42.143 39.788 2.355 1 1 1414 . 7 1 1 A 123 123 PHE N N 129 125.540 128.015 -2.475 1 1 1415 . 7 1 1 A 124 124 ARG H H 130 8.018 8.552 -0.534 1 1 1416 . 7 1 1 A 124 124 ARG HA H 130 4.366 4.642 -0.276 1 1 1423 . 7 1 1 A 124 124 ARG C C 130 172.139 174.048 -1.909 1 1 1424 . 7 1 1 A 124 124 ARG CA C 130 53.422 53.746 -0.324 1 1 1425 . 7 1 1 A 124 124 ARG CB C 130 32.310 34.404 -2.094 1 1 1428 . 7 1 1 A 124 124 ARG N N 130 125.264 125.772 -0.508 1 1 1429 . 7 1 1 A 125 125 ILE H H 131 8.462 8.141 0.321 1 1 1430 . 7 1 1 A 125 125 ILE HA H 131 3.883 4.591 -0.708 1 1 1440 . 7 1 1 A 125 125 ILE C C 131 175.487 175.935 -0.448 1 1 1441 . 7 1 1 A 125 125 ILE CA C 131 58.339 60.768 -2.429 1 1 1442 . 7 1 1 A 125 125 ILE CB C 131 35.673 39.917 -4.244 1 1 1446 . 7 1 1 A 125 125 ILE N N 131 121.887 123.264 -1.377 1 1 1447 . 7 1 1 A 126 126 GLY H H 132 8.814 8.322 0.492 1 1 1448 . 7 1 1 A 126 126 GLY HA2 H 132 4.062 4.166 -0.104 1 1 1449 . 7 1 1 A 126 126 GLY HA3 H 132 4.062 4.190 -0.128 1 1 1450 . 7 1 1 A 126 126 GLY C C 132 171.583 172.704 -1.121 1 1 1451 . 7 1 1 A 126 126 GLY CA C 132 44.157 44.060 0.097 1 1 1452 . 7 1 1 A 126 126 GLY N N 132 115.675 115.423 0.252 1 1 1453 . 7 1 1 A 127 127 ASP H H 133 7.914 8.538 -0.624 1 1 1454 . 7 1 1 A 127 127 ASP HA H 133 4.584 4.734 -0.150 1 1 1457 . 7 1 1 A 127 127 ASP C C 133 174.132 175.850 -1.718 1 1 1458 . 7 1 1 A 127 127 ASP CA C 133 54.822 54.579 0.243 1 1 1459 . 7 1 1 A 127 127 ASP CB C 133 45.407 41.903 3.504 1 1 1460 . 7 1 1 A 127 127 ASP N N 133 123.737 118.908 4.829 1 1 1461 . 7 1 1 A 128 128 ILE H H 134 8.258 8.840 -0.582 1 1 1462 . 7 1 1 A 128 128 ILE HA H 134 4.392 4.550 -0.158 1 1 1472 . 7 1 1 A 128 128 ILE C C 134 174.799 175.210 -0.411 1 1 1473 . 7 1 1 A 128 128 ILE CA C 134 61.596 60.617 0.979 1 1 1474 . 7 1 1 A 128 128 ILE CB C 134 37.549 37.162 0.387 1 1 1478 . 7 1 1 A 128 128 ILE N N 134 119.105 122.845 -3.740 1 1 1479 . 7 1 1 A 129 129 ALA H H 135 8.607 8.384 0.223 1 1 1480 . 7 1 1 A 129 129 ALA HA H 135 4.757 4.864 -0.107 1 1 1484 . 7 1 1 A 129 129 ALA C C 135 173.358 177.421 -4.063 1 1 1485 . 7 1 1 A 129 129 ALA CA C 135 50.608 52.206 -1.598 1 1 1486 . 7 1 1 A 129 129 ALA CB C 135 23.348 19.715 3.633 1 1 1487 . 7 1 1 A 129 129 ALA N N 135 129.336 131.222 -1.886 1 1 1488 . 7 1 1 A 130 130 GLY H H 136 7.514 8.464 -0.950 1 1 1489 . 7 1 1 A 130 130 GLY HA2 H 136 3.551 4.303 -0.752 1 1 1490 . 7 1 1 A 130 130 GLY HA3 H 136 4.422 4.543 -0.121 1 1 1491 . 7 1 1 A 130 130 GLY C C 136 172.609 172.307 0.302 1 1 1492 . 7 1 1 A 130 130 GLY CA C 136 44.315 45.843 -1.528 1 1 1493 . 7 1 1 A 130 130 GLY N N 136 101.232 108.430 -7.198 1 1 1494 . 7 1 1 A 131 131 GLU H H 137 8.225 8.462 -0.237 1 1 1495 . 7 1 1 A 131 131 GLU HA H 137 4.540 4.330 0.210 1 1 1500 . 7 1 1 A 131 131 GLU C C 137 174.864 175.127 -0.263 1 1 1501 . 7 1 1 A 131 131 GLU CA C 137 53.120 55.374 -2.254 1 1 1502 . 7 1 1 A 131 131 GLU CB C 137 28.254 28.518 -0.264 1 1 1504 . 7 1 1 A 131 131 GLU N N 137 121.002 119.073 1.929 1 1 1505 . 7 1 1 A 132 132 HIS H H 138 8.054 6.623 1.431 1 1 1506 . 7 1 1 A 132 132 HIS HA H 138 4.771 4.475 0.296 1 1 1511 . 7 1 1 A 132 132 HIS C C 138 175.411 175.129 0.282 1 1 1512 . 7 1 1 A 132 132 HIS CA C 138 57.942 55.097 2.845 1 1 1513 . 7 1 1 A 132 132 HIS CB C 138 27.710 28.720 -1.010 1 1 1514 . 7 1 1 A 132 132 HIS N N 138 124.204 117.448 6.756 1 1 1515 . 7 1 1 A 133 133 THR H H 139 9.056 8.273 0.783 1 1 1516 . 7 1 1 A 133 133 THR HA H 139 3.864 4.851 -0.987 1 1 1521 . 7 1 1 A 133 133 THR C C 139 174.178 174.626 -0.448 1 1 1522 . 7 1 1 A 133 133 THR CA C 139 63.225 60.815 2.410 1 1 1523 . 7 1 1 A 133 133 THR CB C 139 68.127 69.456 -1.329 1 1 1525 . 7 1 1 A 133 133 THR N N 139 125.345 119.551 5.794 1 1 1526 . 7 1 1 A 134 134 SER H H 140 8.834 7.697 1.137 1 1 1527 . 7 1 1 A 134 134 SER HA H 140 4.560 4.875 -0.315 1 1 1530 . 7 1 1 A 134 134 SER C C 140 176.713 175.177 1.536 1 1 1531 . 7 1 1 A 134 134 SER CA C 140 57.961 57.133 0.828 1 1 1532 . 7 1 1 A 134 134 SER CB C 140 63.030 63.101 -0.071 1 1 1533 . 7 1 1 A 134 134 SER N N 140 121.791 114.125 7.666 1 1 1534 . 7 1 1 A 135 135 PHE H H 141 9.597 7.941 1.656 1 1 1535 . 7 1 1 A 135 135 PHE HA H 141 3.953 4.239 -0.286 1 1 1542 . 7 1 1 A 135 135 PHE C C 141 175.375 178.054 -2.679 1 1 1543 . 7 1 1 A 135 135 PHE CA C 141 61.339 61.446 -0.107 1 1 1544 . 7 1 1 A 135 135 PHE CB C 141 39.394 39.229 0.165 1 1 1545 . 7 1 1 A 135 135 PHE N N 141 128.822 121.204 7.618 1 1 1546 . 7 1 1 A 136 136 ASP H H 142 8.017 8.427 -0.410 1 1 1547 . 7 1 1 A 136 136 ASP HA H 142 4.352 4.384 -0.032 1 1 1550 . 7 1 1 A 136 136 ASP C C 142 175.358 176.966 -1.608 1 1 1551 . 7 1 1 A 136 136 ASP CA C 142 55.223 56.085 -0.862 1 1 1552 . 7 1 1 A 136 136 ASP CB C 142 40.968 40.564 0.404 1 1 1553 . 7 1 1 A 136 136 ASP N N 142 113.108 118.972 -5.864 1 1 1554 . 7 1 1 A 137 137 LYS H H 143 7.340 7.214 0.126 1 1 1555 . 7 1 1 A 137 137 LYS HA H 143 4.439 4.309 0.130 1 1 1564 . 7 1 1 A 137 137 LYS C C 143 175.571 176.394 -0.823 1 1 1565 . 7 1 1 A 137 137 LYS CA C 143 54.096 56.785 -2.689 1 1 1566 . 7 1 1 A 137 137 LYS CB C 143 32.545 32.827 -0.282 1 1 1570 . 7 1 1 A 137 137 LYS N N 143 117.716 117.592 0.124 1 1 1571 . 7 1 1 A 138 138 LEU H H 144 6.698 6.984 -0.286 1 1 1572 . 7 1 1 A 138 138 LEU HA H 144 3.903 4.501 -0.598 1 1 1582 . 7 1 1 A 138 138 LEU C C 144 174.123 175.795 -1.672 1 1 1583 . 7 1 1 A 138 138 LEU CA C 144 52.843 53.176 -0.333 1 1 1584 . 7 1 1 A 138 138 LEU CB C 144 40.993 40.697 0.296 1 1 1588 . 7 1 1 A 138 138 LEU N N 144 120.536 121.480 -0.944 1 1 1589 . 7 1 1 A 139 139 PRO HA H 145 4.040 4.605 -0.565 1 1 1596 . 7 1 1 A 139 139 PRO C C 145 172.700 176.049 -3.349 1 1 1597 . 7 1 1 A 139 139 PRO CA C 145 62.654 62.226 0.428 1 1 1598 . 7 1 1 A 139 139 PRO CB C 145 30.086 32.325 -2.239 1 1 1601 . 7 1 1 A 140 140 GLU H H 146 8.343 8.669 -0.326 1 1 1602 . 7 1 1 A 140 140 GLU HA H 146 3.970 4.552 -0.582 1 1 1607 . 7 1 1 A 140 140 GLU C C 146 176.009 176.265 -0.256 1 1 1608 . 7 1 1 A 140 140 GLU CA C 146 56.119 55.908 0.211 1 1 1609 . 7 1 1 A 140 140 GLU CB C 146 30.086 28.322 1.764 1 1 1611 . 7 1 1 A 140 140 GLU N N 146 119.063 119.952 -0.889 1 1 1612 . 7 1 1 A 141 141 GLY H H 147 7.241 8.434 -1.193 1 1 1613 . 7 1 1 A 141 141 GLY HA2 H 147 3.918 4.050 -0.132 1 1 1614 . 7 1 1 A 141 141 GLY HA3 H 147 3.814 4.064 -0.250 1 1 1615 . 7 1 1 A 141 141 GLY C C 147 171.657 174.857 -3.200 1 1 1616 . 7 1 1 A 141 141 GLY CA C 147 43.929 45.035 -1.106 1 1 1617 . 7 1 1 A 141 141 GLY N N 147 104.270 110.798 -6.528 1 1 1618 . 7 1 1 A 142 142 GLY H H 148 8.241 8.332 -0.091 1 1 1619 . 7 1 1 A 142 142 GLY HA2 H 148 3.710 3.963 -0.253 1 1 1620 . 7 1 1 A 142 142 GLY HA3 H 148 4.350 3.994 0.356 1 1 1621 . 7 1 1 A 142 142 GLY C C 148 171.767 174.824 -3.057 1 1 1622 . 7 1 1 A 142 142 GLY CA C 148 43.649 46.729 -3.080 1 1 1623 . 7 1 1 A 142 142 GLY N N 148 106.996 108.417 -1.421 1 1 1624 . 7 1 1 A 143 143 ARG H H 149 8.214 7.612 0.602 1 1 1625 . 7 1 1 A 143 143 ARG HA H 149 5.376 4.915 0.461 1 1 1632 . 7 1 1 A 143 143 ARG C C 149 174.981 173.644 1.337 1 1 1633 . 7 1 1 A 143 143 ARG CA C 149 54.235 53.940 0.295 1 1 1634 . 7 1 1 A 143 143 ARG CB C 149 32.988 33.911 -0.923 1 1 1637 . 7 1 1 A 143 143 ARG N N 149 117.762 113.389 4.373 1 1 1638 . 7 1 1 A 144 144 ALA H H 150 9.030 8.832 0.198 1 1 1639 . 7 1 1 A 144 144 ALA HA H 150 4.730 4.822 -0.092 1 1 1643 . 7 1 1 A 144 144 ALA C C 150 175.012 175.830 -0.818 1 1 1644 . 7 1 1 A 144 144 ALA CA C 150 50.732 50.139 0.593 1 1 1645 . 7 1 1 A 144 144 ALA CB C 150 23.448 20.854 2.594 1 1 1646 . 7 1 1 A 144 144 ALA N N 150 126.630 121.973 4.657 1 1 1647 . 7 1 1 A 145 145 THR H H 151 8.560 8.453 0.107 1 1 1648 . 7 1 1 A 145 145 THR HA H 151 4.846 4.514 0.332 1 1 1653 . 7 1 1 A 145 145 THR C C 151 171.870 173.503 -1.633 1 1 1654 . 7 1 1 A 145 145 THR CA C 151 61.997 62.682 -0.685 1 1 1655 . 7 1 1 A 145 145 THR CB C 151 69.746 69.709 0.037 1 1 1657 . 7 1 1 A 145 145 THR N N 151 117.942 117.840 0.102 1 1 1658 . 7 1 1 A 146 146 TYR H H 152 10.008 8.912 1.096 1 1 1659 . 7 1 1 A 146 146 TYR HA H 152 4.580 5.153 -0.573 1 1 1666 . 7 1 1 A 146 146 TYR C C 152 174.627 174.351 0.276 1 1 1667 . 7 1 1 A 146 146 TYR CA C 152 55.835 56.221 -0.386 1 1 1668 . 7 1 1 A 146 146 TYR CB C 152 40.094 43.190 -3.096 1 1 1669 . 7 1 1 A 146 146 TYR N N 152 126.097 123.613 2.484 1 1 1670 . 7 1 1 A 147 147 ARG H H 153 8.860 8.868 -0.008 1 1 1671 . 7 1 1 A 147 147 ARG HA H 153 5.404 5.173 0.231 1 1 1678 . 7 1 1 A 147 147 ARG C C 153 177.446 175.600 1.846 1 1 1679 . 7 1 1 A 147 147 ARG CA C 153 54.024 54.697 -0.673 1 1 1680 . 7 1 1 A 147 147 ARG CB C 153 33.539 33.178 0.361 1 1 1683 . 7 1 1 A 147 147 ARG N N 153 121.042 123.878 -2.836 1 1 1684 . 7 1 1 A 148 148 GLY H H 154 8.916 8.509 0.407 1 1 1685 . 7 1 1 A 148 148 GLY HA2 H 154 4.816 4.224 0.592 1 1 1686 . 7 1 1 A 148 148 GLY HA3 H 154 4.422 4.295 0.127 1 1 1687 . 7 1 1 A 148 148 GLY C C 154 173.831 171.627 2.204 1 1 1688 . 7 1 1 A 148 148 GLY CA C 154 46.752 45.203 1.549 1 1 1689 . 7 1 1 A 148 148 GLY N N 154 114.154 112.557 1.597 1 1 1690 . 7 1 1 A 149 149 THR H H 155 9.063 8.773 0.290 1 1 1691 . 7 1 1 A 149 149 THR HA H 155 4.711 4.970 -0.259 1 1 1696 . 7 1 1 A 149 149 THR C C 155 170.370 173.740 -3.370 1 1 1697 . 7 1 1 A 149 149 THR CA C 155 62.316 61.799 0.517 1 1 1698 . 7 1 1 A 149 149 THR CB C 155 72.596 70.616 1.980 1 1 1700 . 7 1 1 A 149 149 THR N N 155 126.410 115.851 10.559 1 1 1701 . 7 1 1 A 150 150 ALA H H 156 7.091 9.192 -2.101 1 1 1702 . 7 1 1 A 150 150 ALA HA H 156 5.289 5.096 0.193 1 1 1706 . 7 1 1 A 150 150 ALA C C 156 173.965 176.531 -2.566 1 1 1707 . 7 1 1 A 150 150 ALA CA C 156 48.843 50.270 -1.427 1 1 1708 . 7 1 1 A 150 150 ALA CB C 156 22.573 20.658 1.915 1 1 1709 . 7 1 1 A 150 150 ALA N N 156 127.540 128.849 -1.309 1 1 1710 . 7 1 1 A 151 151 PHE H H 157 8.536 8.193 0.343 1 1 1711 . 7 1 1 A 151 151 PHE HA H 157 5.442 5.743 -0.301 1 1 1718 . 7 1 1 A 151 151 PHE C C 157 171.891 174.255 -2.364 1 1 1719 . 7 1 1 A 151 151 PHE CA C 157 53.282 55.674 -2.392 1 1 1720 . 7 1 1 A 151 151 PHE CB C 157 41.020 41.291 -0.271 1 1 1721 . 7 1 1 A 151 151 PHE N N 157 117.013 119.643 -2.630 1 1 1722 . 7 1 1 A 152 152 GLY H H 158 8.548 8.681 -0.133 1 1 1723 . 7 1 1 A 152 152 GLY HA2 H 158 4.003 3.818 0.185 1 1 1724 . 7 1 1 A 152 152 GLY HA3 H 158 3.124 4.198 -1.074 1 1 1725 . 7 1 1 A 152 152 GLY C C 158 173.148 173.980 -0.832 1 1 1726 . 7 1 1 A 152 152 GLY CA C 158 42.630 44.859 -2.229 1 1 1727 . 7 1 1 A 152 152 GLY N N 158 108.356 109.683 -1.327 1 1 1728 . 7 1 1 A 153 153 SER H H 159 7.610 8.066 -0.456 1 1 1729 . 7 1 1 A 153 153 SER HA H 159 3.421 3.889 -0.468 1 1 1732 . 7 1 1 A 153 153 SER C C 159 176.057 174.661 1.396 1 1 1733 . 7 1 1 A 153 153 SER CA C 159 58.787 60.492 -1.705 1 1 1734 . 7 1 1 A 153 153 SER CB C 159 61.886 62.658 -0.772 1 1 1735 . 7 1 1 A 153 153 SER N N 159 115.173 114.789 0.384 1 1 1736 . 7 1 1 A 154 154 ASP H H 160 9.894 7.687 2.207 1 1 1737 . 7 1 1 A 154 154 ASP HA H 160 4.168 4.646 -0.478 1 1 1740 . 7 1 1 A 154 154 ASP C C 160 175.191 176.895 -1.704 1 1 1741 . 7 1 1 A 154 154 ASP CA C 160 55.398 54.877 0.521 1 1 1742 . 7 1 1 A 154 154 ASP CB C 160 39.212 41.592 -2.380 1 1 1743 . 7 1 1 A 154 154 ASP N N 160 124.828 119.670 5.158 1 1 1744 . 7 1 1 A 155 155 ASP H H 161 7.520 7.635 -0.115 1 1 1745 . 7 1 1 A 155 155 ASP HA H 161 4.568 4.791 -0.223 1 1 1748 . 7 1 1 A 155 155 ASP C C 161 172.658 176.545 -3.887 1 1 1749 . 7 1 1 A 155 155 ASP CA C 161 54.342 54.259 0.083 1 1 1750 . 7 1 1 A 155 155 ASP CB C 161 40.619 42.983 -2.364 1 1 1751 . 7 1 1 A 155 155 ASP N N 161 116.749 115.913 0.836 1 1 1752 . 7 1 1 A 156 156 ALA H H 162 8.544 8.206 0.338 1 1 1753 . 7 1 1 A 156 156 ALA HA H 162 4.916 4.143 0.773 1 1 1757 . 7 1 1 A 156 156 ALA C C 162 177.708 177.792 -0.084 1 1 1758 . 7 1 1 A 156 156 ALA CA C 162 49.878 53.431 -3.553 1 1 1759 . 7 1 1 A 156 156 ALA CB C 162 17.473 18.006 -0.533 1 1 1760 . 7 1 1 A 156 156 ALA N N 162 128.246 119.949 8.297 1 1 1761 . 7 1 1 A 157 157 GLY H H 163 8.406 8.284 0.122 1 1 1762 . 7 1 1 A 157 157 GLY HA2 H 163 4.286 4.168 0.118 1 1 1763 . 7 1 1 A 157 157 GLY HA3 H 163 3.894 4.173 -0.279 1 1 1764 . 7 1 1 A 157 157 GLY C C 163 174.344 174.706 -0.362 1 1 1765 . 7 1 1 A 157 157 GLY CA C 163 45.049 45.659 -0.610 1 1 1766 . 7 1 1 A 157 157 GLY N N 163 106.545 103.129 3.416 1 1 1767 . 7 1 1 A 158 158 GLY H H 164 7.128 8.042 -0.914 1 1 1768 . 7 1 1 A 158 158 GLY HA2 H 164 4.118 4.098 0.020 1 1 1769 . 7 1 1 A 158 158 GLY HA3 H 164 3.641 4.197 -0.556 1 1 1770 . 7 1 1 A 158 158 GLY C C 164 173.903 172.841 1.062 1 1 1771 . 7 1 1 A 158 158 GLY CA C 164 45.225 45.117 0.108 1 1 1772 . 7 1 1 A 158 158 GLY N N 164 106.404 108.282 -1.878 1 1 1773 . 7 1 1 A 159 159 LYS H H 165 9.647 9.053 0.594 1 1 1774 . 7 1 1 A 159 159 LYS HA H 165 5.052 5.265 -0.213 1 1 1781 . 7 1 1 A 159 159 LYS C C 165 174.390 174.469 -0.079 1 1 1782 . 7 1 1 A 159 159 LYS CA C 165 53.501 54.766 -1.265 1 1 1783 . 7 1 1 A 159 159 LYS CB C 165 34.622 36.671 -2.049 1 1 1786 . 7 1 1 A 159 159 LYS N N 165 123.930 117.383 6.547 1 1 1787 . 7 1 1 A 160 160 LEU H H 166 7.706 8.807 -1.101 1 1 1788 . 7 1 1 A 160 160 LEU HA H 166 4.873 5.323 -0.450 1 1 1798 . 7 1 1 A 160 160 LEU C C 166 174.825 175.586 -0.761 1 1 1799 . 7 1 1 A 160 160 LEU CA C 166 52.677 53.073 -0.396 1 1 1800 . 7 1 1 A 160 160 LEU CB C 166 44.629 46.278 -1.649 1 1 1804 . 7 1 1 A 160 160 LEU N N 166 126.271 118.875 7.396 1 1 1805 . 7 1 1 A 161 161 THR H H 167 8.374 8.550 -0.176 1 1 1806 . 7 1 1 A 161 161 THR HA H 167 4.949 5.126 -0.177 1 1 1811 . 7 1 1 A 161 161 THR C C 167 172.102 173.804 -1.702 1 1 1812 . 7 1 1 A 161 161 THR CA C 167 61.761 61.493 0.268 1 1 1813 . 7 1 1 A 161 161 THR CB C 167 70.169 69.964 0.205 1 1 1815 . 7 1 1 A 161 161 THR N N 167 122.977 114.995 7.982 1 1 1816 . 7 1 1 A 162 162 TYR H H 168 9.174 9.094 0.080 1 1 1817 . 7 1 1 A 162 162 TYR HA H 168 4.766 5.319 -0.553 1 1 1824 . 7 1 1 A 162 162 TYR C C 168 172.249 174.997 -2.748 1 1 1825 . 7 1 1 A 162 162 TYR CA C 168 58.162 56.276 1.886 1 1 1826 . 7 1 1 A 162 162 TYR CB C 168 43.746 42.431 1.315 1 1 1827 . 7 1 1 A 162 162 TYR N N 168 128.112 125.922 2.190 1 1 1828 . 7 1 1 A 163 163 THR H H 169 8.711 8.383 0.328 1 1 1829 . 7 1 1 A 163 163 THR HA H 169 5.402 5.252 0.150 1 1 1834 . 7 1 1 A 163 163 THR C C 169 172.520 172.136 0.384 1 1 1835 . 7 1 1 A 163 163 THR CA C 169 60.804 60.078 0.726 1 1 1836 . 7 1 1 A 163 163 THR CB C 169 70.818 71.462 -0.644 1 1 1838 . 7 1 1 A 163 163 THR N N 169 124.549 115.084 9.465 1 1 1839 . 7 1 1 A 164 164 ILE H H 170 8.927 8.860 0.067 1 1 1840 . 7 1 1 A 164 164 ILE HA H 170 4.313 4.905 -0.592 1 1 1850 . 7 1 1 A 164 164 ILE C C 170 173.105 173.913 -0.808 1 1 1851 . 7 1 1 A 164 164 ILE CA C 170 60.595 60.333 0.262 1 1 1852 . 7 1 1 A 164 164 ILE CB C 170 41.274 41.309 -0.035 1 1 1856 . 7 1 1 A 164 164 ILE N N 170 123.685 126.096 -2.411 1 1 1857 . 7 1 1 A 165 165 ASP H H 171 8.372 9.158 -0.786 1 1 1858 . 7 1 1 A 165 165 ASP HA H 171 4.750 4.887 -0.137 1 1 1861 . 7 1 1 A 165 165 ASP C C 171 177.213 176.294 0.919 1 1 1862 . 7 1 1 A 165 165 ASP CA C 171 51.669 53.202 -1.533 1 1 1863 . 7 1 1 A 165 165 ASP CB C 171 41.730 38.747 2.983 1 1 1864 . 7 1 1 A 165 165 ASP N N 171 125.168 129.503 -4.335 1 1 1865 . 7 1 1 A 166 166 PHE H H 172 8.968 8.229 0.739 1 1 1866 . 7 1 1 A 166 166 PHE HA H 172 3.879 4.139 -0.260 1 1 1874 . 7 1 1 A 166 166 PHE C C 172 176.940 178.145 -1.205 1 1 1875 . 7 1 1 A 166 166 PHE CA C 172 61.543 60.618 0.925 1 1 1876 . 7 1 1 A 166 166 PHE CB C 172 37.424 38.812 -1.388 1 1 1877 . 7 1 1 A 166 166 PHE N N 172 123.597 121.685 1.912 1 1 1878 . 7 1 1 A 167 167 ALA H H 173 8.266 8.464 -0.198 1 1 1879 . 7 1 1 A 167 167 ALA HA H 173 4.322 4.127 0.195 1 1 1883 . 7 1 1 A 167 167 ALA C C 173 178.888 178.703 0.185 1 1 1884 . 7 1 1 A 167 167 ALA CA C 173 54.458 54.997 -0.539 1 1 1885 . 7 1 1 A 167 167 ALA CB C 173 17.591 18.076 -0.485 1 1 1886 . 7 1 1 A 167 167 ALA N N 173 122.113 121.872 0.241 1 1 1887 . 7 1 1 A 168 168 ALA H H 174 7.405 7.604 -0.199 1 1 1888 . 7 1 1 A 168 168 ALA HA H 174 4.096 4.361 -0.265 1 1 1892 . 7 1 1 A 168 168 ALA C C 174 176.605 176.642 -0.037 1 1 1893 . 7 1 1 A 168 168 ALA CA C 174 51.225 51.556 -0.331 1 1 1894 . 7 1 1 A 168 168 ALA CB C 174 18.307 19.051 -0.744 1 1 1895 . 7 1 1 A 168 168 ALA N N 174 118.760 118.713 0.047 1 1 1896 . 7 1 1 A 169 169 LYS H H 175 7.906 7.700 0.206 1 1 1897 . 7 1 1 A 169 169 LYS HA H 175 3.391 3.838 -0.447 1 1 1904 . 7 1 1 A 169 169 LYS C C 175 174.608 175.025 -0.417 1 1 1905 . 7 1 1 A 169 169 LYS CA C 175 57.049 57.483 -0.434 1 1 1906 . 7 1 1 A 169 169 LYS CB C 175 30.051 29.043 1.008 1 1 1909 . 7 1 1 A 169 169 LYS N N 175 114.394 114.760 -0.366 1 1 1910 . 7 1 1 A 170 170 GLN H H 176 7.629 7.359 0.270 1 1 1911 . 7 1 1 A 170 170 GLN HA H 176 5.414 4.878 0.536 1 1 1918 . 7 1 1 A 170 170 GLN C C 176 174.325 176.355 -2.030 1 1 1919 . 7 1 1 A 170 170 GLN CA C 176 54.393 54.711 -0.318 1 1 1920 . 7 1 1 A 170 170 GLN CB C 176 34.771 30.584 4.187 1 1 1922 . 7 1 1 A 170 170 GLN N N 176 116.433 117.256 -0.823 1 1 1924 . 7 1 1 A 171 171 GLY H H 177 8.854 8.630 0.224 1 1 1925 . 7 1 1 A 171 171 GLY HA2 H 177 5.205 4.071 1.134 1 1 1926 . 7 1 1 A 171 171 GLY HA3 H 177 3.526 4.100 -0.574 1 1 1927 . 7 1 1 A 171 171 GLY C C 177 170.842 172.783 -1.941 1 1 1928 . 7 1 1 A 171 171 GLY CA C 177 44.621 44.624 -0.003 1 1 1929 . 7 1 1 A 171 171 GLY N N 177 110.189 111.771 -1.582 1 1 1930 . 7 1 1 A 172 172 ASN H H 178 7.637 8.680 -1.043 1 1 1931 . 7 1 1 A 172 172 ASN HA H 178 4.224 5.297 -1.073 1 1 1936 . 7 1 1 A 172 172 ASN C C 178 171.546 173.504 -1.958 1 1 1937 . 7 1 1 A 172 172 ASN CA C 178 53.729 52.317 1.412 1 1 1938 . 7 1 1 A 172 172 ASN CB C 178 41.543 42.400 -0.857 1 1 1939 . 7 1 1 A 172 172 ASN N N 178 112.667 118.393 -5.726 1 1 1941 . 7 1 1 A 173 173 GLY H H 179 9.103 8.364 0.739 1 1 1942 . 7 1 1 A 173 173 GLY HA2 H 179 4.491 4.034 0.457 1 1 1943 . 7 1 1 A 173 173 GLY HA3 H 179 4.084 4.254 -0.170 1 1 1944 . 7 1 1 A 173 173 GLY C C 179 172.400 171.858 0.542 1 1 1945 . 7 1 1 A 173 173 GLY CA C 179 47.199 45.948 1.251 1 1 1946 . 7 1 1 A 173 173 GLY N N 179 106.686 108.193 -1.507 1 1 1947 . 7 1 1 A 174 174 LYS H H 180 9.179 8.930 0.249 1 1 1948 . 7 1 1 A 174 174 LYS HA H 180 4.821 5.122 -0.301 1 1 1957 . 7 1 1 A 174 174 LYS C C 180 172.518 174.186 -1.668 1 1 1958 . 7 1 1 A 174 174 LYS CA C 180 56.617 55.076 1.541 1 1 1959 . 7 1 1 A 174 174 LYS CB C 180 35.373 36.167 -0.794 1 1 1963 . 7 1 1 A 174 174 LYS N N 180 121.816 116.260 5.556 1 1 1964 . 7 1 1 A 175 175 ILE H H 181 8.351 9.179 -0.828 1 1 1965 . 7 1 1 A 175 175 ILE HA H 181 4.581 4.777 -0.196 1 1 1973 . 7 1 1 A 175 175 ILE C C 181 173.997 175.656 -1.659 1 1 1974 . 7 1 1 A 175 175 ILE CA C 181 60.490 59.947 0.543 1 1 1975 . 7 1 1 A 175 175 ILE CB C 181 39.573 39.835 -0.262 1 1 1978 . 7 1 1 A 175 175 ILE N N 181 123.400 123.976 -0.576 1 1 1979 . 7 1 1 A 176 176 GLU H H 182 8.492 8.160 0.332 1 1 1980 . 7 1 1 A 176 176 GLU HA H 182 4.471 4.694 -0.223 1 1 1985 . 7 1 1 A 176 176 GLU C C 182 175.392 175.048 0.344 1 1 1986 . 7 1 1 A 176 176 GLU CA C 182 53.410 55.602 -2.192 1 1 1987 . 7 1 1 A 176 176 GLU CB C 182 35.479 30.350 5.129 1 1 1989 . 7 1 1 A 176 176 GLU N N 182 122.287 127.143 -4.856 1 1 1990 . 7 1 1 A 177 177 HIS H H 183 8.431 7.808 0.623 1 1 1991 . 7 1 1 A 177 177 HIS HA H 183 3.975 4.794 -0.819 1 1 1996 . 7 1 1 A 177 177 HIS C C 183 176.008 173.001 3.007 1 1 1997 . 7 1 1 A 177 177 HIS CA C 183 57.533 55.448 2.085 1 1 1998 . 7 1 1 A 177 177 HIS CB C 183 27.362 30.185 -2.823 1 1 1999 . 7 1 1 A 177 177 HIS N N 183 109.605 121.689 -12.084 1 1 2000 . 7 1 1 A 178 178 LEU H H 184 9.603 8.348 1.255 1 1 2001 . 7 1 1 A 178 178 LEU HA H 184 4.276 4.716 -0.440 1 1 2011 . 7 1 1 A 178 178 LEU C C 184 178.805 177.865 0.940 1 1 2012 . 7 1 1 A 178 178 LEU CA C 184 56.034 53.036 2.998 1 1 2013 . 7 1 1 A 178 178 LEU CB C 184 39.882 43.918 -4.036 1 1 2017 . 7 1 1 A 178 178 LEU N N 184 124.374 126.408 -2.034 1 1 2018 . 7 1 1 A 179 179 LYS H H 185 10.002 8.752 1.250 1 1 2019 . 7 1 1 A 179 179 LYS HA H 185 3.682 4.039 -0.357 1 1 2028 . 7 1 1 A 179 179 LYS C C 185 177.660 176.374 1.286 1 1 2029 . 7 1 1 A 179 179 LYS CA C 185 57.721 58.806 -1.085 1 1 2030 . 7 1 1 A 179 179 LYS CB C 185 31.949 32.045 -0.096 1 1 2034 . 7 1 1 A 179 179 LYS N N 185 122.880 121.110 1.770 1 1 2035 . 7 1 1 A 180 180 SER H H 186 7.262 7.758 -0.496 1 1 2036 . 7 1 1 A 180 180 SER HA H 186 4.672 4.953 -0.281 1 1 2039 . 7 1 1 A 180 180 SER C C 186 173.086 173.737 -0.651 1 1 2040 . 7 1 1 A 180 180 SER CA C 186 54.576 55.571 -0.995 1 1 2041 . 7 1 1 A 180 180 SER CB C 186 62.715 64.812 -2.097 1 1 2042 . 7 1 1 A 180 180 SER N N 186 115.187 115.461 -0.274 1 1 2043 . 7 1 1 A 181 181 PRO HA H 187 3.956 4.398 -0.442 1 1 2050 . 7 1 1 A 181 181 PRO CA C 187 65.359 64.584 0.775 1 1 2051 . 7 1 1 A 181 181 PRO CB C 187 32.061 32.085 -0.024 1 1 2054 . 7 1 1 A 182 182 GLU H H 188 8.076 8.382 -0.306 1 1 2055 . 7 1 1 A 182 182 GLU HA H 188 3.011 4.081 -1.070 1 1 2060 . 7 1 1 A 182 182 GLU C C 188 173.944 179.033 -5.089 1 1 2061 . 7 1 1 A 182 182 GLU CA C 188 56.597 59.135 -2.538 1 1 2062 . 7 1 1 A 182 182 GLU CB C 188 29.581 29.291 0.290 1 1 2064 . 7 1 1 A 182 182 GLU N N 188 113.034 117.556 -4.522 1 1 2065 . 7 1 1 A 183 183 LEU H H 189 7.126 7.288 -0.162 1 1 2066 . 7 1 1 A 183 183 LEU HA H 189 3.970 4.098 -0.128 1 1 2076 . 7 1 1 A 183 183 LEU C C 189 175.597 176.871 -1.274 1 1 2077 . 7 1 1 A 183 183 LEU CA C 189 53.849 55.346 -1.497 1 1 2078 . 7 1 1 A 183 183 LEU CB C 189 41.152 41.955 -0.803 1 1 2082 . 7 1 1 A 183 183 LEU N N 189 112.896 118.494 -5.598 1 1 2083 . 7 1 1 A 184 184 ASN H H 190 6.952 7.871 -0.919 1 1 2084 . 7 1 1 A 184 184 ASN HA H 190 4.596 4.602 -0.006 1 1 2089 . 7 1 1 A 184 184 ASN C C 190 175.694 175.140 0.554 1 1 2090 . 7 1 1 A 184 184 ASN CA C 190 53.200 53.571 -0.371 1 1 2091 . 7 1 1 A 184 184 ASN CB C 190 36.466 39.041 -2.575 1 1 2092 . 7 1 1 A 184 184 ASN N N 190 117.865 117.751 0.114 1 1 2094 . 7 1 1 A 185 185 VAL H H 191 7.178 8.719 -1.541 1 1 2095 . 7 1 1 A 185 185 VAL HA H 191 4.480 4.807 -0.327 1 1 2103 . 7 1 1 A 185 185 VAL C C 191 174.874 174.374 0.500 1 1 2104 . 7 1 1 A 185 185 VAL CA C 191 59.753 58.645 1.108 1 1 2105 . 7 1 1 A 185 185 VAL CB C 191 33.035 35.413 -2.378 1 1 2108 . 7 1 1 A 185 185 VAL N N 191 113.276 117.349 -4.073 1 1 2109 . 7 1 1 A 186 186 ASP H H 192 8.827 8.573 0.254 1 1 2110 . 7 1 1 A 186 186 ASP HA H 192 4.779 4.902 -0.123 1 1 2113 . 7 1 1 A 186 186 ASP C C 192 174.919 175.562 -0.643 1 1 2114 . 7 1 1 A 186 186 ASP CA C 192 54.058 54.123 -0.065 1 1 2115 . 7 1 1 A 186 186 ASP CB C 192 41.635 42.466 -0.831 1 1 2116 . 7 1 1 A 186 186 ASP N N 192 118.111 122.707 -4.596 1 1 2117 . 7 1 1 A 187 187 LEU H H 193 8.375 8.199 0.176 1 1 2118 . 7 1 1 A 187 187 LEU HA H 193 4.146 4.766 -0.620 1 1 2127 . 7 1 1 A 187 187 LEU CA C 193 52.331 53.366 -1.035 1 1 2128 . 7 1 1 A 187 187 LEU CB C 193 38.187 43.898 -5.711 1 1 2131 . 7 1 1 A 187 187 LEU N N 193 123.130 121.759 1.371 1 1 2132 . 7 1 1 A 188 188 ALA H H 194 8.225 8.711 -0.486 1 1 2133 . 7 1 1 A 188 188 ALA HA H 194 4.098 4.312 -0.214 1 1 2137 . 7 1 1 A 188 188 ALA C C 194 176.239 177.298 -1.059 1 1 2138 . 7 1 1 A 188 188 ALA CA C 194 52.498 52.736 -0.238 1 1 2139 . 7 1 1 A 188 188 ALA CB C 194 20.030 19.168 0.862 1 1 2140 . 7 1 1 A 188 188 ALA N N 194 126.289 126.977 -0.688 1 1 2141 . 7 1 1 A 189 189 ALA H H 195 8.275 8.262 0.013 1 1 2142 . 7 1 1 A 189 189 ALA HA H 195 4.862 4.453 0.409 1 1 2146 . 7 1 1 A 189 189 ALA C C 195 178.131 178.107 0.024 1 1 2147 . 7 1 1 A 189 189 ALA CA C 195 51.822 53.078 -1.256 1 1 2148 . 7 1 1 A 189 189 ALA CB C 195 17.367 19.074 -1.707 1 1 2149 . 7 1 1 A 189 189 ALA N N 195 122.010 125.401 -3.391 1 1 2150 . 7 1 1 A 190 190 ALA H H 196 8.823 8.827 -0.004 1 1 2151 . 7 1 1 A 190 190 ALA HA H 196 4.634 5.098 -0.464 1 1 2155 . 7 1 1 A 190 190 ALA C C 196 175.141 175.420 -0.279 1 1 2156 . 7 1 1 A 190 190 ALA CA C 196 50.420 50.779 -0.359 1 1 2157 . 7 1 1 A 190 190 ALA CB C 196 23.461 24.319 -0.858 1 1 2158 . 7 1 1 A 190 190 ALA N N 196 126.018 124.158 1.860 1 1 2159 . 7 1 1 A 191 191 ASP H H 197 8.365 8.828 -0.463 1 1 2160 . 7 1 1 A 191 191 ASP HA H 197 5.160 5.344 -0.184 1 1 2163 . 7 1 1 A 191 191 ASP C C 197 176.028 175.513 0.515 1 1 2164 . 7 1 1 A 191 191 ASP CA C 197 54.034 52.040 1.994 1 1 2165 . 7 1 1 A 191 191 ASP CB C 197 41.691 44.007 -2.316 1 1 2166 . 7 1 1 A 191 191 ASP N N 197 118.646 117.886 0.760 1 1 2167 . 7 1 1 A 192 192 ILE H H 198 7.915 8.645 -0.730 1 1 2168 . 7 1 1 A 192 192 ILE HA H 198 4.315 4.286 0.029 1 1 2178 . 7 1 1 A 192 192 ILE C C 198 174.684 175.850 -1.166 1 1 2179 . 7 1 1 A 192 192 ILE CA C 198 60.951 61.128 -0.177 1 1 2180 . 7 1 1 A 192 192 ILE CB C 198 41.989 37.807 4.182 1 1 2184 . 7 1 1 A 192 192 ILE N N 198 119.664 120.665 -1.001 1 1 2185 . 7 1 1 A 193 193 LYS H H 199 9.175 8.884 0.291 1 1 2186 . 7 1 1 A 193 193 LYS HA H 199 4.530 4.626 -0.096 1 1 2195 . 7 1 1 A 193 193 LYS C C 199 172.639 176.219 -3.580 1 1 2196 . 7 1 1 A 193 193 LYS CA C 199 53.361 53.383 -0.022 1 1 2197 . 7 1 1 A 193 193 LYS CB C 199 34.758 32.373 2.385 1 1 2201 . 7 1 1 A 193 193 LYS N N 199 127.122 127.298 -0.176 1 1 2202 . 7 1 1 A 195 195 ASP H H 201 8.390 8.013 0.377 1 1 2203 . 7 1 1 A 195 195 ASP HA H 201 4.550 4.291 0.259 1 1 2206 . 7 1 1 A 195 195 ASP C C 201 179.300 176.900 2.400 1 1 2207 . 7 1 1 A 195 195 ASP CA C 201 51.354 55.677 -4.323 1 1 2208 . 7 1 1 A 195 195 ASP CB C 201 40.324 38.825 1.499 1 1 2209 . 7 1 1 A 195 195 ASP N N 201 123.239 116.576 6.663 1 1 2210 . 7 1 1 A 196 196 GLY HA2 H 202 3.718 3.969 -0.251 1 1 2211 . 7 1 1 A 196 196 GLY HA3 H 202 3.437 3.976 -0.539 1 1 2212 . 7 1 1 A 196 196 GLY CA C 202 46.527 46.330 0.197 1 1 2213 . 7 1 1 A 197 197 LYS H H 203 7.740 9.269 -1.529 1 1 2214 . 7 1 1 A 197 197 LYS HA H 203 4.118 4.083 0.035 1 1 2221 . 7 1 1 A 197 197 LYS C C 203 174.941 176.895 -1.954 1 1 2222 . 7 1 1 A 197 197 LYS CA C 203 55.054 58.558 -3.504 1 1 2223 . 7 1 1 A 197 197 LYS CB C 203 31.192 31.436 -0.244 1 1 2226 . 7 1 1 A 197 197 LYS N N 203 120.305 118.566 1.739 1 1 2227 . 7 1 1 A 198 198 ARG H H 204 8.059 8.003 0.056 1 1 2228 . 7 1 1 A 198 198 ARG HA H 204 3.441 4.417 -0.976 1 1 2235 . 7 1 1 A 198 198 ARG C C 204 175.152 176.093 -0.941 1 1 2236 . 7 1 1 A 198 198 ARG CA C 204 56.911 56.995 -0.084 1 1 2237 . 7 1 1 A 198 198 ARG CB C 204 26.584 33.321 -6.737 1 1 2240 . 7 1 1 A 198 198 ARG N N 204 111.796 118.004 -6.208 1 1 2241 . 7 1 1 A 199 199 HIS H H 205 8.531 8.049 0.482 1 1 2242 . 7 1 1 A 199 199 HIS HA H 205 4.812 4.801 0.011 1 1 2247 . 7 1 1 A 199 199 HIS C C 205 174.866 173.252 1.614 1 1 2248 . 7 1 1 A 199 199 HIS CA C 205 53.700 54.505 -0.805 1 1 2249 . 7 1 1 A 199 199 HIS CB C 205 27.838 31.358 -3.520 1 1 2250 . 7 1 1 A 199 199 HIS N N 205 120.255 113.482 6.773 1 1 2251 . 7 1 1 A 200 200 ALA H H 206 8.492 7.924 0.568 1 1 2252 . 7 1 1 A 200 200 ALA HA H 206 4.615 3.973 0.642 1 1 2256 . 7 1 1 A 200 200 ALA C C 206 175.840 176.693 -0.853 1 1 2257 . 7 1 1 A 200 200 ALA CA C 206 52.247 51.469 0.778 1 1 2258 . 7 1 1 A 200 200 ALA CB C 206 19.838 19.168 0.670 1 1 2259 . 7 1 1 A 200 200 ALA N N 206 123.237 122.498 0.739 1 1 2260 . 7 1 1 A 201 201 VAL H H 207 9.174 7.600 1.574 1 1 2261 . 7 1 1 A 201 201 VAL HA H 207 4.976 4.449 0.527 1 1 2269 . 7 1 1 A 201 201 VAL C C 207 173.390 174.542 -1.152 1 1 2270 . 7 1 1 A 201 201 VAL CA C 207 60.775 60.244 0.531 1 1 2271 . 7 1 1 A 201 201 VAL CB C 207 35.488 35.708 -0.220 1 1 2274 . 7 1 1 A 201 201 VAL N N 207 123.250 116.940 6.310 1 1 2275 . 7 1 1 A 202 202 ILE H H 208 8.887 8.648 0.239 1 1 2276 . 7 1 1 A 202 202 ILE HA H 208 4.312 4.845 -0.533 1 1 2286 . 7 1 1 A 202 202 ILE C C 208 174.670 174.639 0.031 1 1 2287 . 7 1 1 A 202 202 ILE CA C 208 60.815 59.607 1.208 1 1 2288 . 7 1 1 A 202 202 ILE CB C 208 41.576 39.403 2.173 1 1 2292 . 7 1 1 A 202 202 ILE N N 208 122.699 126.709 -4.010 1 1 2293 . 7 1 1 A 203 203 SER H H 209 8.416 8.301 0.115 1 1 2294 . 7 1 1 A 203 203 SER HA H 209 4.913 4.967 -0.054 1 1 2297 . 7 1 1 A 203 203 SER C C 209 172.984 173.058 -0.074 1 1 2298 . 7 1 1 A 203 203 SER CA C 209 55.676 56.494 -0.818 1 1 2299 . 7 1 1 A 203 203 SER CB C 209 64.355 64.858 -0.503 1 1 2300 . 7 1 1 A 203 203 SER N N 209 122.067 122.340 -0.273 1 1 2301 . 7 1 1 A 204 204 GLY H H 210 7.292 8.678 -1.386 1 1 2302 . 7 1 1 A 204 204 GLY HA2 H 210 4.432 4.333 0.099 1 1 2303 . 7 1 1 A 204 204 GLY HA3 H 210 3.352 4.353 -1.001 1 1 2304 . 7 1 1 A 204 204 GLY C C 210 172.482 172.764 -0.282 1 1 2305 . 7 1 1 A 204 204 GLY CA C 210 45.167 44.967 0.200 1 1 2306 . 7 1 1 A 204 204 GLY N N 210 110.488 113.647 -3.159 1 1 2307 . 7 1 1 A 205 205 SER H H 211 8.652 8.889 -0.237 1 1 2308 . 7 1 1 A 205 205 SER HA H 211 5.027 5.572 -0.545 1 1 2311 . 7 1 1 A 205 205 SER C C 211 172.852 173.164 -0.312 1 1 2312 . 7 1 1 A 205 205 SER CA C 211 58.806 57.443 1.363 1 1 2313 . 7 1 1 A 205 205 SER CB C 211 64.384 66.555 -2.171 1 1 2314 . 7 1 1 A 205 205 SER N N 211 116.497 116.849 -0.352 1 1 2315 . 7 1 1 A 206 206 VAL H H 212 7.400 8.707 -1.307 1 1 2316 . 7 1 1 A 206 206 VAL HA H 212 5.032 4.551 0.481 1 1 2324 . 7 1 1 A 206 206 VAL C C 212 174.500 175.303 -0.803 1 1 2325 . 7 1 1 A 206 206 VAL CA C 212 58.764 61.136 -2.372 1 1 2326 . 7 1 1 A 206 206 VAL CB C 212 30.512 35.431 -4.919 1 1 2329 . 7 1 1 A 206 206 VAL N N 212 117.101 122.487 -5.386 1 1 2330 . 7 1 1 A 207 207 LEU H H 213 8.961 8.668 0.293 1 1 2331 . 7 1 1 A 207 207 LEU HA H 213 5.312 4.592 0.720 1 1 2341 . 7 1 1 A 207 207 LEU C C 213 175.520 175.894 -0.374 1 1 2342 . 7 1 1 A 207 207 LEU CA C 213 52.630 54.594 -1.964 1 1 2343 . 7 1 1 A 207 207 LEU CB C 213 45.567 42.584 2.983 1 1 2347 . 7 1 1 A 207 207 LEU N N 213 124.185 127.771 -3.586 1 1 2348 . 7 1 1 A 208 208 TYR H H 214 8.836 8.716 0.120 1 1 2349 . 7 1 1 A 208 208 TYR HA H 214 4.766 4.884 -0.118 1 1 2356 . 7 1 1 A 208 208 TYR C C 214 175.964 174.790 1.174 1 1 2357 . 7 1 1 A 208 208 TYR CA C 214 56.943 57.696 -0.753 1 1 2358 . 7 1 1 A 208 208 TYR CB C 214 41.736 42.078 -0.342 1 1 2359 . 7 1 1 A 208 208 TYR N N 214 120.202 120.249 -0.047 1 1 2360 . 7 1 1 A 209 209 ASN H H 215 9.292 9.219 0.073 1 1 2361 . 7 1 1 A 209 209 ASN HA H 215 4.001 4.505 -0.504 1 1 2366 . 7 1 1 A 209 209 ASN C C 215 174.336 174.295 0.041 1 1 2367 . 7 1 1 A 209 209 ASN CA C 215 53.923 54.119 -0.196 1 1 2368 . 7 1 1 A 209 209 ASN CB C 215 36.468 37.136 -0.668 1 1 2369 . 7 1 1 A 209 209 ASN N N 215 129.805 125.866 3.939 1 1 2371 . 7 1 1 A 210 210 GLN H H 216 8.614 8.412 0.202 1 1 2372 . 7 1 1 A 210 210 GLN HA H 216 3.453 3.789 -0.336 1 1 2379 . 7 1 1 A 210 210 GLN C C 216 173.521 174.775 -1.254 1 1 2380 . 7 1 1 A 210 210 GLN CA C 216 57.881 57.130 0.751 1 1 2381 . 7 1 1 A 210 210 GLN CB C 216 26.089 26.608 -0.519 1 1 2383 . 7 1 1 A 210 210 GLN N N 216 106.396 110.290 -3.894 1 1 2385 . 7 1 1 A 211 211 ALA H H 217 7.657 7.460 0.197 1 1 2386 . 7 1 1 A 211 211 ALA HA H 217 4.608 4.498 0.110 1 1 2390 . 7 1 1 A 211 211 ALA C C 217 176.432 176.876 -0.444 1 1 2391 . 7 1 1 A 211 211 ALA CA C 217 50.786 51.149 -0.363 1 1 2392 . 7 1 1 A 211 211 ALA CB C 217 20.499 20.742 -0.243 1 1 2393 . 7 1 1 A 211 211 ALA N N 217 123.338 118.195 5.143 1 1 2394 . 7 1 1 A 212 212 GLU H H 218 8.712 8.747 -0.035 1 1 2395 . 7 1 1 A 212 212 GLU HA H 218 4.525 4.231 0.294 1 1 2400 . 7 1 1 A 212 212 GLU C C 218 177.924 174.373 3.551 1 1 2401 . 7 1 1 A 212 212 GLU CA C 218 57.550 58.424 -0.874 1 1 2402 . 7 1 1 A 212 212 GLU CB C 218 28.811 28.979 -0.168 1 1 2404 . 7 1 1 A 212 212 GLU N N 218 122.631 117.194 5.437 1 1 2405 . 7 1 1 A 213 213 LYS H H 219 8.835 8.650 0.185 1 1 2406 . 7 1 1 A 213 213 LYS HA H 219 4.612 4.913 -0.301 1 1 2415 . 7 1 1 A 213 213 LYS C C 219 173.786 175.248 -1.462 1 1 2416 . 7 1 1 A 213 213 LYS CA C 219 53.115 55.656 -2.541 1 1 2417 . 7 1 1 A 213 213 LYS CB C 219 34.180 35.412 -1.232 1 1 2421 . 7 1 1 A 213 213 LYS N N 219 126.870 121.542 5.328 1 1 2422 . 7 1 1 A 214 214 GLY H H 220 7.929 9.359 -1.430 1 1 2423 . 7 1 1 A 214 214 GLY HA2 H 220 5.469 4.193 1.276 1 1 2424 . 7 1 1 A 214 214 GLY HA3 H 220 3.719 4.213 -0.494 1 1 2425 . 7 1 1 A 214 214 GLY C C 220 173.926 173.060 0.866 1 1 2426 . 7 1 1 A 214 214 GLY CA C 220 44.536 44.483 0.053 1 1 2427 . 7 1 1 A 214 214 GLY N N 220 107.019 112.796 -5.777 1 1 2428 . 7 1 1 A 215 215 SER H H 221 8.678 8.814 -0.136 1 1 2429 . 7 1 1 A 215 215 SER HA H 221 5.460 5.474 -0.014 1 1 2432 . 7 1 1 A 215 215 SER C C 221 171.043 172.781 -1.738 1 1 2433 . 7 1 1 A 215 215 SER CA C 221 56.810 57.234 -0.424 1 1 2434 . 7 1 1 A 215 215 SER CB C 221 66.671 66.210 0.461 1 1 2435 . 7 1 1 A 215 215 SER N N 221 117.334 114.711 2.623 1 1 2436 . 7 1 1 A 216 216 TYR H H 222 8.958 9.197 -0.239 1 1 2437 . 7 1 1 A 216 216 TYR HA H 222 5.389 5.562 -0.173 1 1 2445 . 7 1 1 A 216 216 TYR C C 222 172.789 172.729 0.060 1 1 2446 . 7 1 1 A 216 216 TYR CA C 222 55.819 55.905 -0.086 1 1 2447 . 7 1 1 A 216 216 TYR CB C 222 41.681 42.605 -0.924 1 1 2448 . 7 1 1 A 216 216 TYR N N 222 117.645 118.782 -1.137 1 1 2449 . 7 1 1 A 217 217 SER H H 223 8.837 8.965 -0.128 1 1 2450 . 7 1 1 A 217 217 SER HA H 223 5.165 5.129 0.036 1 1 2453 . 7 1 1 A 217 217 SER C C 223 173.125 172.442 0.683 1 1 2454 . 7 1 1 A 217 217 SER CA C 223 56.600 56.608 -0.008 1 1 2455 . 7 1 1 A 217 217 SER CB C 223 64.500 65.195 -0.695 1 1 2456 . 7 1 1 A 217 217 SER N N 223 115.593 115.776 -0.183 1 1 2457 . 7 1 1 A 218 218 LEU H H 224 9.299 8.669 0.630 1 1 2458 . 7 1 1 A 218 218 LEU HA H 224 4.748 4.930 -0.182 1 1 2468 . 7 1 1 A 218 218 LEU C C 224 175.567 174.712 0.855 1 1 2469 . 7 1 1 A 218 218 LEU CA C 224 53.138 53.685 -0.547 1 1 2470 . 7 1 1 A 218 218 LEU CB C 224 46.255 45.104 1.151 1 1 2474 . 7 1 1 A 218 218 LEU N N 224 123.523 122.327 1.196 1 1 2475 . 7 1 1 A 219 219 GLY H H 225 9.041 8.540 0.501 1 1 2476 . 7 1 1 A 219 219 GLY HA2 H 225 4.620 4.307 0.313 1 1 2477 . 7 1 1 A 219 219 GLY HA3 H 225 3.413 4.412 -0.999 1 1 2478 . 7 1 1 A 219 219 GLY C C 225 171.514 172.276 -0.762 1 1 2479 . 7 1 1 A 219 219 GLY CA C 225 43.777 44.293 -0.516 1 1 2480 . 7 1 1 A 219 219 GLY N N 225 108.999 106.188 2.811 1 1 2481 . 7 1 1 A 220 220 ILE H H 226 6.853 8.798 -1.945 1 1 2482 . 7 1 1 A 220 220 ILE HA H 226 4.615 4.777 -0.162 1 1 2492 . 7 1 1 A 220 220 ILE C C 226 174.750 175.867 -1.117 1 1 2493 . 7 1 1 A 220 220 ILE CA C 226 60.421 61.531 -1.110 1 1 2494 . 7 1 1 A 220 220 ILE CB C 226 38.213 38.655 -0.442 1 1 2498 . 7 1 1 A 220 220 ILE N N 226 120.223 121.927 -1.704 1 1 2499 . 7 1 1 A 221 221 PHE H H 227 9.392 9.256 0.136 1 1 2500 . 7 1 1 A 221 221 PHE HA H 227 4.770 5.217 -0.447 1 1 2507 . 7 1 1 A 221 221 PHE C C 227 175.093 175.380 -0.287 1 1 2508 . 7 1 1 A 221 221 PHE CA C 227 58.053 56.798 1.255 1 1 2509 . 7 1 1 A 221 221 PHE CB C 227 42.505 42.327 0.178 1 1 2510 . 7 1 1 A 221 221 PHE N N 227 128.229 124.837 3.392 1 1 2511 . 7 1 1 A 222 222 GLY H H 228 8.675 8.556 0.119 1 1 2512 . 7 1 1 A 222 222 GLY HA2 H 228 3.174 4.057 -0.883 1 1 2513 . 7 1 1 A 222 222 GLY HA3 H 228 4.311 4.206 0.105 1 1 2514 . 7 1 1 A 222 222 GLY CA C 228 42.438 44.667 -2.229 1 1 2515 . 7 1 1 A 222 222 GLY N N 228 104.634 111.313 -6.679 1 1 2516 . 7 1 1 A 223 223 GLY CA C 229 46.870 45.563 1.307 1 1 2517 . 7 1 1 A 224 224 LYS H H 230 8.366 7.947 0.419 1 1 2518 . 7 1 1 A 224 224 LYS HA H 230 4.305 4.575 -0.270 1 1 2523 . 7 1 1 A 224 224 LYS C C 230 174.717 175.684 -0.967 1 1 2524 . 7 1 1 A 224 224 LYS CA C 230 54.119 55.116 -0.997 1 1 2525 . 7 1 1 A 224 224 LYS CB C 230 30.821 33.191 -2.370 1 1 2527 . 7 1 1 A 224 224 LYS N N 230 118.720 118.760 -0.040 1 1 2528 . 7 1 1 A 225 225 ALA H H 231 7.633 7.842 -0.209 1 1 2529 . 7 1 1 A 225 225 ALA HA H 231 3.810 4.354 -0.544 1 1 2533 . 7 1 1 A 225 225 ALA C C 231 176.702 177.302 -0.600 1 1 2534 . 7 1 1 A 225 225 ALA CA C 231 51.868 52.929 -1.061 1 1 2535 . 7 1 1 A 225 225 ALA CB C 231 16.117 17.764 -1.647 1 1 2536 . 7 1 1 A 225 225 ALA N N 231 118.077 119.710 -1.633 1 1 2537 . 7 1 1 A 226 226 GLN H H 232 9.387 7.892 1.495 1 1 2538 . 7 1 1 A 226 226 GLN HA H 232 3.877 4.703 -0.826 1 1 2543 . 7 1 1 A 226 226 GLN C C 232 175.992 175.401 0.591 1 1 2544 . 7 1 1 A 226 226 GLN CA C 232 60.989 57.481 3.508 1 1 2545 . 7 1 1 A 226 226 GLN CB C 232 28.695 31.850 -3.155 1 1 2547 . 7 1 1 A 226 226 GLN N N 232 117.991 123.646 -5.655 1 1 2548 . 7 1 1 A 227 227 GLU H H 233 8.825 7.872 0.953 1 1 2549 . 7 1 1 A 227 227 GLU HA H 233 5.411 4.390 1.021 1 1 2554 . 7 1 1 A 227 227 GLU C C 233 174.939 173.637 1.302 1 1 2555 . 7 1 1 A 227 227 GLU CA C 233 54.289 55.367 -1.078 1 1 2556 . 7 1 1 A 227 227 GLU CB C 233 33.797 31.899 1.898 1 1 2558 . 7 1 1 A 227 227 GLU N N 233 116.638 115.245 1.393 1 1 2559 . 7 1 1 A 228 228 VAL H H 234 8.343 8.457 -0.114 1 1 2560 . 7 1 1 A 228 228 VAL HA H 234 5.544 5.115 0.429 1 1 2568 . 7 1 1 A 228 228 VAL C C 234 174.839 174.205 0.634 1 1 2569 . 7 1 1 A 228 228 VAL CA C 234 57.867 60.003 -2.136 1 1 2570 . 7 1 1 A 228 228 VAL CB C 234 35.379 35.547 -0.168 1 1 2573 . 7 1 1 A 228 228 VAL N N 234 109.304 115.678 -6.374 1 1 2574 . 7 1 1 A 229 229 ALA H H 235 8.475 8.523 -0.048 1 1 2575 . 7 1 1 A 229 229 ALA HA H 235 4.937 5.038 -0.101 1 1 2579 . 7 1 1 A 229 229 ALA C C 235 176.417 175.796 0.621 1 1 2580 . 7 1 1 A 229 229 ALA CA C 235 51.303 51.048 0.255 1 1 2581 . 7 1 1 A 229 229 ALA CB C 235 20.301 23.184 -2.883 1 1 2582 . 7 1 1 A 229 229 ALA N N 235 120.653 124.261 -3.608 1 1 2583 . 7 1 1 A 230 230 GLY H H 236 9.361 8.260 1.101 1 1 2584 . 7 1 1 A 230 230 GLY HA2 H 236 5.075 4.265 0.810 1 1 2585 . 7 1 1 A 230 230 GLY HA3 H 236 4.017 4.266 -0.249 1 1 2586 . 7 1 1 A 230 230 GLY C C 236 170.130 172.009 -1.879 1 1 2587 . 7 1 1 A 230 230 GLY CA C 236 46.221 45.976 0.245 1 1 2588 . 7 1 1 A 230 230 GLY N N 236 111.104 106.609 4.495 1 1 2589 . 7 1 1 A 231 231 SER H H 237 8.889 8.869 0.020 1 1 2590 . 7 1 1 A 231 231 SER HA H 237 5.276 5.408 -0.132 1 1 2593 . 7 1 1 A 231 231 SER C C 237 171.360 173.068 -1.708 1 1 2594 . 7 1 1 A 231 231 SER CA C 237 56.498 57.176 -0.678 1 1 2595 . 7 1 1 A 231 231 SER CB C 237 66.398 66.549 -0.151 1 1 2596 . 7 1 1 A 231 231 SER N N 237 115.308 115.906 -0.598 1 1 2597 . 7 1 1 A 232 232 ALA H H 238 9.083 8.855 0.228 1 1 2598 . 7 1 1 A 232 232 ALA HA H 238 5.148 5.387 -0.239 1 1 2602 . 7 1 1 A 232 232 ALA C C 238 174.537 175.079 -0.542 1 1 2603 . 7 1 1 A 232 232 ALA CA C 238 49.904 50.823 -0.919 1 1 2604 . 7 1 1 A 232 232 ALA CB C 238 21.729 22.861 -1.132 1 1 2605 . 7 1 1 A 232 232 ALA N N 238 119.911 123.242 -3.331 1 1 2606 . 7 1 1 A 233 233 GLU H H 239 9.015 9.078 -0.063 1 1 2607 . 7 1 1 A 233 233 GLU HA H 239 4.631 4.929 -0.298 1 1 2612 . 7 1 1 A 233 233 GLU C C 239 174.122 174.397 -0.275 1 1 2613 . 7 1 1 A 233 233 GLU CA C 239 54.786 54.571 0.215 1 1 2614 . 7 1 1 A 233 233 GLU CB C 239 31.355 33.276 -1.921 1 1 2616 . 7 1 1 A 233 233 GLU N N 239 122.744 122.327 0.417 1 1 2617 . 7 1 1 A 234 234 VAL H H 240 8.792 8.735 0.057 1 1 2618 . 7 1 1 A 234 234 VAL HA H 240 4.394 4.672 -0.278 1 1 2623 . 7 1 1 A 234 234 VAL C C 240 174.833 174.361 0.472 1 1 2624 . 7 1 1 A 234 234 VAL CA C 240 61.427 59.717 1.710 1 1 2625 . 7 1 1 A 234 234 VAL CB C 240 33.863 35.392 -1.529 1 1 2627 . 7 1 1 A 234 234 VAL N N 240 124.203 122.650 1.553 1 1 2628 . 7 1 1 A 235 235 LYS H H 241 8.841 8.515 0.326 1 1 2629 . 7 1 1 A 235 235 LYS HA H 241 3.981 4.427 -0.446 1 1 2638 . 7 1 1 A 235 235 LYS C C 241 174.548 176.106 -1.558 1 1 2639 . 7 1 1 A 235 235 LYS CA C 241 55.955 56.763 -0.808 1 1 2640 . 7 1 1 A 235 235 LYS CB C 241 32.100 33.291 -1.191 1 1 2644 . 7 1 1 A 235 235 LYS N N 241 127.554 127.276 0.278 1 1 2645 . 7 1 1 A 236 236 THR H H 242 7.212 8.716 -1.504 1 1 2646 . 7 1 1 A 236 236 THR HA H 242 4.355 4.853 -0.498 1 1 2651 . 7 1 1 A 236 236 THR C C 242 176.482 175.106 1.376 1 1 2652 . 7 1 1 A 236 236 THR CA C 242 61.054 61.053 0.001 1 1 2653 . 7 1 1 A 236 236 THR CB C 242 72.642 72.647 -0.005 1 1 2655 . 7 1 1 A 236 236 THR N N 242 114.463 115.341 -0.878 1 1 2656 . 7 1 1 A 237 237 VAL H H 243 9.582 8.950 0.632 1 1 2657 . 7 1 1 A 237 237 VAL HA H 243 3.849 3.962 -0.113 1 1 2665 . 7 1 1 A 237 237 VAL C C 243 176.201 176.861 -0.660 1 1 2666 . 7 1 1 A 237 237 VAL CA C 243 64.701 64.757 -0.056 1 1 2667 . 7 1 1 A 237 237 VAL CB C 243 31.028 31.927 -0.899 1 1 2669 . 7 1 1 A 237 237 VAL N N 243 120.670 124.951 -4.281 1 1 2670 . 7 1 1 A 238 238 ASN H H 244 7.572 7.878 -0.306 1 1 2671 . 7 1 1 A 238 238 ASN HA H 244 4.882 4.852 0.030 1 1 2676 . 7 1 1 A 238 238 ASN C C 244 173.835 175.801 -1.966 1 1 2677 . 7 1 1 A 238 238 ASN CA C 244 52.022 53.025 -1.003 1 1 2678 . 7 1 1 A 238 238 ASN CB C 244 39.176 39.135 0.041 1 1 2679 . 7 1 1 A 238 238 ASN N N 244 115.638 117.350 -1.712 1 1 2681 . 7 1 1 A 239 239 GLY H H 245 7.362 8.815 -1.453 1 1 2682 . 7 1 1 A 239 239 GLY HA2 H 245 4.539 4.007 0.532 1 1 2683 . 7 1 1 A 239 239 GLY HA3 H 245 3.728 4.015 -0.287 1 1 2684 . 7 1 1 A 239 239 GLY C C 245 174.343 172.929 1.414 1 1 2685 . 7 1 1 A 239 239 GLY CA C 245 43.316 46.298 -2.982 1 1 2686 . 7 1 1 A 239 239 GLY N N 245 107.650 106.238 1.412 1 1 2687 . 7 1 1 A 240 240 ILE H H 246 8.672 8.122 0.550 1 1 2688 . 7 1 1 A 240 240 ILE HA H 246 4.351 4.950 -0.599 1 1 2698 . 7 1 1 A 240 240 ILE C C 246 176.899 173.498 3.401 1 1 2699 . 7 1 1 A 240 240 ILE CA C 246 61.120 58.610 2.510 1 1 2700 . 7 1 1 A 240 240 ILE CB C 246 36.906 42.182 -5.276 1 1 2704 . 7 1 1 A 240 240 ILE N N 246 122.673 124.090 -1.417 1 1 2705 . 7 1 1 A 241 241 ARG H H 247 9.233 8.616 0.617 1 1 2706 . 7 1 1 A 241 241 ARG HA H 247 4.370 5.298 -0.928 1 1 2713 . 7 1 1 A 241 241 ARG C C 247 173.925 174.577 -0.652 1 1 2714 . 7 1 1 A 241 241 ARG CA C 247 53.461 54.380 -0.919 1 1 2715 . 7 1 1 A 241 241 ARG CB C 247 31.910 34.017 -2.107 1 1 2718 . 7 1 1 A 241 241 ARG N N 247 128.497 127.118 1.379 1 1 2719 . 7 1 1 A 242 242 HIS H H 248 8.519 8.862 -0.343 1 1 2720 . 7 1 1 A 242 242 HIS HA H 248 5.323 5.468 -0.145 1 1 2725 . 7 1 1 A 242 242 HIS C C 248 174.635 174.768 -0.133 1 1 2726 . 7 1 1 A 242 242 HIS CA C 248 55.759 54.651 1.108 1 1 2727 . 7 1 1 A 242 242 HIS CB C 248 32.921 34.485 -1.564 1 1 2728 . 7 1 1 A 242 242 HIS N N 248 121.131 120.515 0.616 1 1 2729 . 7 1 1 A 243 243 ILE H H 249 8.723 9.085 -0.362 1 1 2730 . 7 1 1 A 243 243 ILE HA H 249 4.522 4.817 -0.295 1 1 2740 . 7 1 1 A 243 243 ILE C C 249 176.188 175.395 0.793 1 1 2741 . 7 1 1 A 243 243 ILE CA C 249 58.524 59.806 -1.282 1 1 2742 . 7 1 1 A 243 243 ILE CB C 249 41.977 42.528 -0.551 1 1 2746 . 7 1 1 A 243 243 ILE N N 249 119.438 120.759 -1.321 1 1 2747 . 7 1 1 A 244 244 GLY H H 250 9.351 8.599 0.752 1 1 2748 . 7 1 1 A 244 244 GLY HA2 H 250 3.707 3.109 0.598 1 1 2749 . 7 1 1 A 244 244 GLY HA3 H 250 2.119 3.895 -1.776 1 1 2750 . 7 1 1 A 244 244 GLY C C 250 170.981 171.833 -0.852 1 1 2751 . 7 1 1 A 244 244 GLY CA C 250 44.178 44.066 0.112 1 1 2752 . 7 1 1 A 244 244 GLY N N 250 113.700 113.943 -0.243 1 1 2753 . 7 1 1 A 245 245 LEU H H 251 7.833 8.329 -0.496 1 1 2754 . 7 1 1 A 245 245 LEU HA H 251 4.717 4.851 -0.134 1 1 2764 . 7 1 1 A 245 245 LEU C C 251 174.501 176.112 -1.611 1 1 2765 . 7 1 1 A 245 245 LEU CA C 251 52.508 53.599 -1.091 1 1 2766 . 7 1 1 A 245 245 LEU CB C 251 46.764 43.418 3.346 1 1 2770 . 7 1 1 A 245 245 LEU N N 251 120.798 124.120 -3.322 1 1 2771 . 7 1 1 A 246 246 ALA H H 252 7.906 8.712 -0.806 1 1 2772 . 7 1 1 A 246 246 ALA HA H 252 4.589 4.672 -0.083 1 1 2776 . 7 1 1 A 246 246 ALA C C 252 173.363 175.857 -2.494 1 1 2777 . 7 1 1 A 246 246 ALA CA C 252 51.546 51.337 0.209 1 1 2778 . 7 1 1 A 246 246 ALA CB C 252 21.524 19.655 1.869 1 1 2779 . 7 1 1 A 246 246 ALA N N 252 122.885 124.953 -2.068 1 1 2780 . 7 1 1 A 247 247 ALA H H 253 9.041 8.527 0.514 1 1 2781 . 7 1 1 A 247 247 ALA HA H 253 4.726 5.312 -0.586 1 1 2785 . 7 1 1 A 247 247 ALA C C 253 174.897 175.650 -0.753 1 1 2786 . 7 1 1 A 247 247 ALA CA C 253 51.723 50.043 1.680 1 1 2787 . 7 1 1 A 247 247 ALA CB C 253 22.967 21.816 1.151 1 1 2788 . 7 1 1 A 247 247 ALA N N 253 122.967 125.940 -2.973 1 1 2789 . 7 1 1 A 248 248 LYS H H 254 8.171 9.112 -0.941 1 1 2790 . 7 1 1 A 248 248 LYS HA H 254 5.731 4.761 0.970 1 1 2797 . 7 1 1 A 248 248 LYS C C 254 175.094 175.021 0.073 1 1 2798 . 7 1 1 A 248 248 LYS CA C 254 53.866 54.346 -0.480 1 1 2799 . 7 1 1 A 248 248 LYS CB C 254 36.312 36.002 0.310 1 1 2802 . 7 1 1 A 248 248 LYS N N 254 115.734 120.248 -4.514 1 1 60 . 8 1 1 A 9 9 GLY H H 15 8.346 8.769 -0.423 1 1 61 . 8 1 1 A 9 9 GLY HA2 H 15 4.021 3.851 0.170 1 1 62 . 8 1 1 A 9 9 GLY HA3 H 15 3.772 3.855 -0.083 1 1 63 . 8 1 1 A 9 9 GLY C C 15 174.259 175.479 -1.220 1 1 64 . 8 1 1 A 9 9 GLY CA C 15 45.581 46.582 -1.001 1 1 65 . 8 1 1 A 9 9 GLY N N 15 107.368 111.232 -3.864 1 1 66 . 8 1 1 A 10 10 LEU H H 16 7.224 7.910 -0.686 1 1 67 . 8 1 1 A 10 10 LEU HA H 16 3.736 4.113 -0.377 1 1 77 . 8 1 1 A 10 10 LEU C C 16 178.202 179.120 -0.918 1 1 78 . 8 1 1 A 10 10 LEU CA C 16 57.915 57.394 0.521 1 1 79 . 8 1 1 A 10 10 LEU CB C 16 40.686 41.553 -0.867 1 1 83 . 8 1 1 A 10 10 LEU N N 16 117.616 123.322 -5.706 1 1 84 . 8 1 1 A 11 11 ALA H H 17 7.860 7.952 -0.092 1 1 85 . 8 1 1 A 11 11 ALA HA H 17 3.937 3.985 -0.048 1 1 89 . 8 1 1 A 11 11 ALA C C 17 181.090 179.144 1.946 1 1 90 . 8 1 1 A 11 11 ALA CA C 17 54.860 55.274 -0.414 1 1 91 . 8 1 1 A 11 11 ALA CB C 17 17.248 17.973 -0.725 1 1 92 . 8 1 1 A 11 11 ALA N N 17 117.757 121.958 -4.201 1 1 93 . 8 1 1 A 12 12 ASP H H 18 8.017 7.996 0.021 1 1 94 . 8 1 1 A 12 12 ASP HA H 18 4.223 4.352 -0.129 1 1 97 . 8 1 1 A 12 12 ASP C C 18 177.941 178.213 -0.272 1 1 98 . 8 1 1 A 12 12 ASP CA C 18 56.341 56.807 -0.466 1 1 99 . 8 1 1 A 12 12 ASP CB C 18 39.312 41.012 -1.700 1 1 100 . 8 1 1 A 12 12 ASP N N 18 118.410 118.999 -0.589 1 1 101 . 8 1 1 A 13 13 ALA H H 19 8.205 8.150 0.055 1 1 102 . 8 1 1 A 13 13 ALA HA H 19 3.952 4.147 -0.195 1 1 106 . 8 1 1 A 13 13 ALA C C 19 178.856 178.096 0.760 1 1 107 . 8 1 1 A 13 13 ALA CA C 19 55.039 54.307 0.732 1 1 108 . 8 1 1 A 13 13 ALA CB C 19 17.779 18.318 -0.539 1 1 109 . 8 1 1 A 13 13 ALA N N 19 121.480 121.117 0.363 1 1 110 . 8 1 1 A 14 14 LEU H H 20 7.217 7.369 -0.152 1 1 111 . 8 1 1 A 14 14 LEU HA H 20 4.258 4.439 -0.181 1 1 121 . 8 1 1 A 14 14 LEU C C 20 177.544 177.964 -0.420 1 1 122 . 8 1 1 A 14 14 LEU CA C 20 55.511 54.819 0.692 1 1 123 . 8 1 1 A 14 14 LEU CB C 20 42.176 42.322 -0.146 1 1 126 . 8 1 1 A 14 14 LEU N N 20 113.410 115.701 -2.291 1 1 127 . 8 1 1 A 15 15 THR H H 21 7.624 7.602 0.022 1 1 128 . 8 1 1 A 15 15 THR HA H 21 4.394 4.479 -0.085 1 1 133 . 8 1 1 A 15 15 THR C C 21 174.959 174.695 0.264 1 1 134 . 8 1 1 A 15 15 THR CA C 21 61.733 62.572 -0.839 1 1 135 . 8 1 1 A 15 15 THR CB C 21 71.514 69.902 1.612 1 1 137 . 8 1 1 A 15 15 THR N N 21 106.072 108.282 -2.210 1 1 138 . 8 1 1 A 16 16 ALA H H 22 8.932 7.924 1.008 1 1 139 . 8 1 1 A 16 16 ALA HA H 22 4.624 4.400 0.224 1 1 143 . 8 1 1 A 16 16 ALA C C 22 175.978 177.052 -1.074 1 1 144 . 8 1 1 A 16 16 ALA CA C 22 50.681 50.528 0.153 1 1 145 . 8 1 1 A 16 16 ALA CB C 22 18.728 18.825 -0.097 1 1 146 . 8 1 1 A 16 16 ALA N N 22 127.789 125.187 2.602 1 1 147 . 8 1 1 A 17 17 PRO HA H 23 4.430 4.259 0.171 1 1 154 . 8 1 1 A 17 17 PRO CA C 23 61.497 64.275 -2.778 1 1 155 . 8 1 1 A 17 17 PRO CB C 23 31.775 31.979 -0.204 1 1 158 . 8 1 1 A 18 18 LEU H H 24 8.154 8.218 -0.064 1 1 159 . 8 1 1 A 18 18 LEU HA H 24 3.894 4.208 -0.314 1 1 169 . 8 1 1 A 18 18 LEU C C 24 176.447 174.716 1.731 1 1 170 . 8 1 1 A 18 18 LEU CA C 24 55.510 56.912 -1.402 1 1 171 . 8 1 1 A 18 18 LEU CB C 24 40.921 41.785 -0.864 1 1 175 . 8 1 1 A 18 18 LEU N N 24 121.010 120.469 0.541 1 1 176 . 8 1 1 A 19 19 ASP H H 25 8.758 8.102 0.656 1 1 177 . 8 1 1 A 19 19 ASP HA H 25 4.626 4.748 -0.122 1 1 180 . 8 1 1 A 19 19 ASP C C 25 176.425 175.700 0.725 1 1 181 . 8 1 1 A 19 19 ASP CA C 25 52.688 53.575 -0.887 1 1 182 . 8 1 1 A 19 19 ASP CB C 25 42.819 43.907 -1.088 1 1 183 . 8 1 1 A 19 19 ASP N N 25 124.654 120.089 4.565 1 1 184 . 8 1 1 A 20 20 HIS HA H 26 4.272 4.228 0.044 1 1 189 . 8 1 1 A 20 20 HIS CA C 26 58.100 59.400 -1.300 1 1 190 . 8 1 1 A 20 20 HIS CB C 26 29.200 29.391 -0.191 1 1 191 . 8 1 1 A 21 21 LYS H H 27 8.348 7.710 0.638 1 1 192 . 8 1 1 A 21 21 LYS HA H 27 3.970 4.435 -0.465 1 1 201 . 8 1 1 A 21 21 LYS C C 27 177.393 175.863 1.530 1 1 202 . 8 1 1 A 21 21 LYS CA C 27 56.320 55.953 0.367 1 1 203 . 8 1 1 A 21 21 LYS CB C 27 30.950 34.512 -3.562 1 1 206 . 8 1 1 A 21 21 LYS N N 27 118.419 112.826 5.593 1 1 207 . 8 1 1 A 22 22 ASP H H 28 7.451 8.310 -0.859 1 1 208 . 8 1 1 A 22 22 ASP HA H 28 4.307 4.542 -0.235 1 1 211 . 8 1 1 A 22 22 ASP C C 28 176.212 176.342 -0.130 1 1 212 . 8 1 1 A 22 22 ASP CA C 28 54.164 55.782 -1.618 1 1 213 . 8 1 1 A 22 22 ASP CB C 28 40.091 40.154 -0.063 1 1 214 . 8 1 1 A 22 22 ASP N N 28 120.045 120.416 -0.371 1 1 215 . 8 1 1 A 23 23 LYS H H 29 8.416 8.493 -0.077 1 1 216 . 8 1 1 A 23 23 LYS HA H 29 3.962 4.412 -0.450 1 1 225 . 8 1 1 A 23 23 LYS C C 29 177.409 177.072 0.337 1 1 226 . 8 1 1 A 23 23 LYS CA C 29 56.254 56.968 -0.714 1 1 227 . 8 1 1 A 23 23 LYS CB C 29 31.950 33.999 -2.049 1 1 231 . 8 1 1 A 23 23 LYS N N 29 121.925 124.896 -2.971 1 1 232 . 8 1 1 A 24 24 GLY H H 30 8.612 7.782 0.830 1 1 233 . 8 1 1 A 24 24 GLY HA2 H 30 3.655 4.148 -0.493 1 1 234 . 8 1 1 A 24 24 GLY HA3 H 30 3.519 4.169 -0.650 1 1 235 . 8 1 1 A 24 24 GLY CA C 30 44.788 44.431 0.357 1 1 236 . 8 1 1 A 24 24 GLY N N 30 111.487 104.047 7.440 1 1 237 . 8 1 1 A 25 25 LEU H H 31 8.054 8.458 -0.404 1 1 238 . 8 1 1 A 25 25 LEU HA H 31 3.770 4.288 -0.518 1 1 248 . 8 1 1 A 25 25 LEU CA C 31 55.906 56.188 -0.282 1 1 249 . 8 1 1 A 25 25 LEU CB C 31 44.428 42.563 1.865 1 1 253 . 8 1 1 A 25 25 LEU N N 31 127.196 121.419 5.777 1 1 254 . 8 1 1 A 26 26 GLN H H 32 9.184 8.846 0.338 1 1 255 . 8 1 1 A 26 26 GLN HA H 32 3.437 4.746 -1.309 1 1 262 . 8 1 1 A 26 26 GLN C C 32 174.347 174.797 -0.450 1 1 263 . 8 1 1 A 26 26 GLN CA C 32 57.926 55.153 2.773 1 1 264 . 8 1 1 A 26 26 GLN CB C 32 27.721 30.151 -2.430 1 1 266 . 8 1 1 A 26 26 GLN N N 32 131.782 123.209 8.573 1 1 268 . 8 1 1 A 27 27 SER H H 33 7.240 7.713 -0.473 1 1 269 . 8 1 1 A 27 27 SER HA H 33 4.981 5.261 -0.280 1 1 272 . 8 1 1 A 27 27 SER C C 33 171.111 172.258 -1.147 1 1 273 . 8 1 1 A 27 27 SER CA C 33 56.782 57.255 -0.473 1 1 274 . 8 1 1 A 27 27 SER CB C 33 64.611 66.293 -1.682 1 1 275 . 8 1 1 A 27 27 SER N N 33 108.936 113.304 -4.368 1 1 276 . 8 1 1 A 28 28 LEU H H 34 8.010 9.088 -1.078 1 1 277 . 8 1 1 A 28 28 LEU HA H 34 4.372 5.124 -0.752 1 1 287 . 8 1 1 A 28 28 LEU C C 34 174.697 175.462 -0.765 1 1 288 . 8 1 1 A 28 28 LEU CA C 34 53.332 53.388 -0.056 1 1 289 . 8 1 1 A 28 28 LEU CB C 34 45.636 44.941 0.695 1 1 293 . 8 1 1 A 28 28 LEU N N 34 121.826 120.931 0.895 1 1 294 . 8 1 1 A 29 29 THR H H 35 8.810 8.841 -0.031 1 1 295 . 8 1 1 A 29 29 THR HA H 35 4.046 4.323 -0.277 1 1 300 . 8 1 1 A 29 29 THR C C 35 172.792 174.395 -1.603 1 1 301 . 8 1 1 A 29 29 THR CA C 35 62.565 63.469 -0.904 1 1 302 . 8 1 1 A 29 29 THR CB C 35 68.233 69.058 -0.825 1 1 304 . 8 1 1 A 29 29 THR N N 35 123.892 122.947 0.945 1 1 305 . 8 1 1 A 30 30 LEU H H 36 8.662 8.963 -0.301 1 1 306 . 8 1 1 A 30 30 LEU HA H 36 4.150 4.720 -0.570 1 1 316 . 8 1 1 A 30 30 LEU C C 36 174.707 176.233 -1.526 1 1 317 . 8 1 1 A 30 30 LEU CA C 36 53.789 54.412 -0.623 1 1 318 . 8 1 1 A 30 30 LEU CB C 36 40.562 41.096 -0.534 1 1 322 . 8 1 1 A 30 30 LEU N N 36 128.365 127.594 0.771 1 1 323 . 8 1 1 A 31 31 ASP H H 37 8.500 9.128 -0.628 1 1 324 . 8 1 1 A 31 31 ASP HA H 37 4.837 4.841 -0.004 1 1 327 . 8 1 1 A 31 31 ASP CA C 37 54.657 54.113 0.544 1 1 328 . 8 1 1 A 31 31 ASP CB C 37 43.089 42.137 0.952 1 1 329 . 8 1 1 A 31 31 ASP N N 37 123.194 125.157 -1.963 1 1 330 . 8 1 1 A 32 32 GLN H H 38 10.453 8.116 2.337 1 1 331 . 8 1 1 A 32 32 GLN HA H 38 3.808 4.642 -0.834 1 1 338 . 8 1 1 A 32 32 GLN C C 38 178.535 177.830 0.705 1 1 339 . 8 1 1 A 32 32 GLN CA C 38 56.284 57.078 -0.794 1 1 340 . 8 1 1 A 32 32 GLN CB C 38 28.175 31.524 -3.349 1 1 342 . 8 1 1 A 32 32 GLN N N 38 120.692 118.703 1.989 1 1 344 . 8 1 1 A 33 33 SER H H 39 8.523 8.363 0.160 1 1 345 . 8 1 1 A 33 33 SER HA H 39 4.081 4.197 -0.116 1 1 348 . 8 1 1 A 33 33 SER C C 39 171.792 174.306 -2.514 1 1 349 . 8 1 1 A 33 33 SER CA C 39 61.436 61.947 -0.511 1 1 350 . 8 1 1 A 33 33 SER CB C 39 63.008 63.231 -0.223 1 1 351 . 8 1 1 A 33 33 SER N N 39 111.712 114.524 -2.812 1 1 352 . 8 1 1 A 34 34 VAL H H 40 6.691 7.765 -1.074 1 1 353 . 8 1 1 A 34 34 VAL HA H 40 3.890 4.841 -0.951 1 1 361 . 8 1 1 A 34 34 VAL C C 40 172.251 174.368 -2.117 1 1 362 . 8 1 1 A 34 34 VAL CA C 40 60.415 59.801 0.614 1 1 363 . 8 1 1 A 34 34 VAL CB C 40 32.306 35.842 -3.536 1 1 366 . 8 1 1 A 34 34 VAL N N 40 115.971 118.695 -2.724 1 1 367 . 8 1 1 A 35 35 ARG H H 41 8.184 9.105 -0.921 1 1 368 . 8 1 1 A 35 35 ARG HA H 41 4.176 4.445 -0.269 1 1 375 . 8 1 1 A 35 35 ARG C C 41 176.886 178.002 -1.116 1 1 376 . 8 1 1 A 35 35 ARG CA C 41 55.599 55.639 -0.040 1 1 377 . 8 1 1 A 35 35 ARG CB C 41 30.569 31.311 -0.742 1 1 380 . 8 1 1 A 35 35 ARG N N 41 125.397 125.973 -0.576 1 1 381 . 8 1 1 A 36 36 LYS H H 42 8.493 8.792 -0.299 1 1 382 . 8 1 1 A 36 36 LYS HA H 42 3.778 4.192 -0.414 1 1 391 . 8 1 1 A 36 36 LYS C C 42 176.596 176.923 -0.327 1 1 392 . 8 1 1 A 36 36 LYS CA C 42 58.687 58.692 -0.005 1 1 393 . 8 1 1 A 36 36 LYS CB C 42 31.959 32.077 -0.118 1 1 397 . 8 1 1 A 36 36 LYS N N 42 119.360 122.124 -2.764 1 1 398 . 8 1 1 A 37 37 ASN H H 43 8.513 7.674 0.839 1 1 399 . 8 1 1 A 37 37 ASN HA H 43 4.438 4.834 -0.396 1 1 404 . 8 1 1 A 37 37 ASN C C 43 173.867 175.189 -1.322 1 1 405 . 8 1 1 A 37 37 ASN CA C 43 55.127 54.090 1.037 1 1 406 . 8 1 1 A 37 37 ASN CB C 43 37.071 40.699 -3.628 1 1 407 . 8 1 1 A 37 37 ASN N N 43 115.488 115.617 -0.129 1 1 409 . 8 1 1 A 38 38 GLU H H 44 7.793 7.701 0.092 1 1 410 . 8 1 1 A 38 38 GLU HA H 44 4.772 4.620 0.152 1 1 413 . 8 1 1 A 38 38 GLU C C 44 175.262 175.619 -0.357 1 1 414 . 8 1 1 A 38 38 GLU CA C 44 54.808 55.650 -0.842 1 1 415 . 8 1 1 A 38 38 GLU CB C 44 32.321 31.293 1.028 1 1 416 . 8 1 1 A 38 38 GLU N N 44 118.734 117.444 1.290 1 1 417 . 8 1 1 A 39 39 LYS H H 45 8.706 8.577 0.129 1 1 418 . 8 1 1 A 39 39 LYS HA H 45 4.606 4.993 -0.387 1 1 427 . 8 1 1 A 39 39 LYS C C 45 174.312 174.676 -0.364 1 1 428 . 8 1 1 A 39 39 LYS CA C 45 52.782 55.444 -2.662 1 1 429 . 8 1 1 A 39 39 LYS CB C 45 35.174 33.593 1.581 1 1 433 . 8 1 1 A 39 39 LYS N N 45 117.132 121.817 -4.685 1 1 434 . 8 1 1 A 40 40 LEU H H 46 9.085 9.203 -0.118 1 1 435 . 8 1 1 A 40 40 LEU HA H 46 5.044 4.982 0.062 1 1 442 . 8 1 1 A 40 40 LEU C C 46 173.778 175.275 -1.497 1 1 443 . 8 1 1 A 40 40 LEU CA C 46 52.590 53.501 -0.911 1 1 444 . 8 1 1 A 40 40 LEU CB C 46 44.855 44.158 0.697 1 1 447 . 8 1 1 A 40 40 LEU N N 46 125.335 126.888 -1.553 1 1 448 . 8 1 1 A 41 41 LYS H H 47 9.263 9.114 0.149 1 1 449 . 8 1 1 A 41 41 LYS HA H 47 5.049 5.023 0.026 1 1 458 . 8 1 1 A 41 41 LYS C C 47 175.616 175.220 0.396 1 1 459 . 8 1 1 A 41 41 LYS CA C 47 53.864 54.498 -0.634 1 1 460 . 8 1 1 A 41 41 LYS CB C 47 32.986 35.419 -2.433 1 1 464 . 8 1 1 A 41 41 LYS N N 47 129.833 125.348 4.485 1 1 465 . 8 1 1 A 42 42 LEU H H 48 8.954 8.842 0.112 1 1 466 . 8 1 1 A 42 42 LEU HA H 48 5.458 4.854 0.604 1 1 476 . 8 1 1 A 42 42 LEU C C 48 175.565 176.159 -0.594 1 1 477 . 8 1 1 A 42 42 LEU CA C 48 51.964 54.332 -2.368 1 1 478 . 8 1 1 A 42 42 LEU CB C 48 44.393 42.821 1.572 1 1 482 . 8 1 1 A 42 42 LEU N N 48 126.292 127.817 -1.525 1 1 483 . 8 1 1 A 43 43 ALA H H 49 8.804 8.673 0.131 1 1 484 . 8 1 1 A 43 43 ALA HA H 49 5.304 5.216 0.088 1 1 488 . 8 1 1 A 43 43 ALA C C 49 176.301 175.649 0.652 1 1 489 . 8 1 1 A 43 43 ALA CA C 49 51.004 51.795 -0.791 1 1 490 . 8 1 1 A 43 43 ALA CB C 49 23.453 21.999 1.454 1 1 491 . 8 1 1 A 43 43 ALA N N 49 120.789 121.770 -0.981 1 1 492 . 8 1 1 A 44 44 ALA H H 50 8.117 8.629 -0.512 1 1 493 . 8 1 1 A 44 44 ALA HA H 50 4.485 4.501 -0.016 1 1 497 . 8 1 1 A 44 44 ALA C C 50 176.254 176.840 -0.586 1 1 498 . 8 1 1 A 44 44 ALA CA C 50 53.021 51.837 1.184 1 1 499 . 8 1 1 A 44 44 ALA CB C 50 23.682 21.797 1.885 1 1 500 . 8 1 1 A 44 44 ALA N N 50 120.678 122.978 -2.300 1 1 501 . 8 1 1 A 45 45 GLN H H 51 9.035 9.354 -0.319 1 1 502 . 8 1 1 A 45 45 GLN HA H 51 3.774 3.925 -0.151 1 1 509 . 8 1 1 A 45 45 GLN C C 51 175.259 174.998 0.261 1 1 510 . 8 1 1 A 45 45 GLN CA C 51 56.074 56.699 -0.625 1 1 511 . 8 1 1 A 45 45 GLN CB C 51 27.339 27.545 -0.206 1 1 513 . 8 1 1 A 45 45 GLN N N 51 116.299 123.273 -6.974 1 1 515 . 8 1 1 A 46 46 GLY H H 52 8.441 8.647 -0.206 1 1 516 . 8 1 1 A 46 46 GLY HA2 H 52 4.066 3.819 0.247 1 1 517 . 8 1 1 A 46 46 GLY HA3 H 52 3.510 3.820 -0.310 1 1 518 . 8 1 1 A 46 46 GLY C C 52 173.050 173.888 -0.838 1 1 519 . 8 1 1 A 46 46 GLY CA C 52 44.998 45.457 -0.459 1 1 520 . 8 1 1 A 46 46 GLY N N 52 105.419 105.137 0.282 1 1 521 . 8 1 1 A 47 47 ALA H H 53 8.152 7.777 0.375 1 1 522 . 8 1 1 A 47 47 ALA HA H 53 4.767 4.827 -0.060 1 1 526 . 8 1 1 A 47 47 ALA C C 53 175.989 175.943 0.046 1 1 527 . 8 1 1 A 47 47 ALA CA C 53 49.918 50.710 -0.792 1 1 528 . 8 1 1 A 47 47 ALA CB C 53 22.720 22.550 0.170 1 1 529 . 8 1 1 A 47 47 ALA N N 53 124.355 122.939 1.416 1 1 530 . 8 1 1 A 48 48 GLU H H 54 8.156 9.071 -0.915 1 1 531 . 8 1 1 A 48 48 GLU HA H 54 5.488 5.189 0.299 1 1 536 . 8 1 1 A 48 48 GLU C C 54 174.224 174.119 0.105 1 1 537 . 8 1 1 A 48 48 GLU CA C 54 54.346 54.996 -0.650 1 1 538 . 8 1 1 A 48 48 GLU CB C 54 34.305 33.518 0.787 1 1 540 . 8 1 1 A 48 48 GLU N N 54 116.655 116.265 0.390 1 1 541 . 8 1 1 A 49 49 LYS H H 55 8.852 8.786 0.066 1 1 542 . 8 1 1 A 49 49 LYS HA H 55 4.190 4.778 -0.588 1 1 549 . 8 1 1 A 49 49 LYS C C 55 172.887 174.236 -1.349 1 1 550 . 8 1 1 A 49 49 LYS CA C 55 56.414 54.918 1.496 1 1 551 . 8 1 1 A 49 49 LYS CB C 55 34.723 35.804 -1.081 1 1 554 . 8 1 1 A 49 49 LYS N N 55 122.922 122.605 0.317 1 1 555 . 8 1 1 A 50 50 THR H H 56 7.910 8.437 -0.527 1 1 556 . 8 1 1 A 50 50 THR HA H 56 4.908 4.849 0.059 1 1 561 . 8 1 1 A 50 50 THR C C 56 173.112 172.860 0.252 1 1 562 . 8 1 1 A 50 50 THR CA C 56 61.998 61.667 0.331 1 1 563 . 8 1 1 A 50 50 THR CB C 56 68.596 69.966 -1.370 1 1 565 . 8 1 1 A 50 50 THR N N 56 120.811 123.335 -2.524 1 1 566 . 8 1 1 A 51 51 TYR H H 57 9.432 9.086 0.346 1 1 567 . 8 1 1 A 51 51 TYR HA H 57 4.493 5.200 -0.707 1 1 574 . 8 1 1 A 51 51 TYR C C 57 174.156 175.402 -1.246 1 1 575 . 8 1 1 A 51 51 TYR CA C 57 57.375 55.917 1.458 1 1 576 . 8 1 1 A 51 51 TYR CB C 57 41.895 42.943 -1.048 1 1 577 . 8 1 1 A 51 51 TYR N N 57 127.372 125.598 1.774 1 1 578 . 8 1 1 A 52 52 GLY H H 58 9.154 8.568 0.586 1 1 579 . 8 1 1 A 52 52 GLY HA2 H 58 3.543 4.238 -0.695 1 1 580 . 8 1 1 A 52 52 GLY HA3 H 58 3.543 4.243 -0.700 1 1 581 . 8 1 1 A 52 52 GLY C C 58 172.527 174.106 -1.579 1 1 582 . 8 1 1 A 52 52 GLY CA C 58 42.304 46.023 -3.719 1 1 583 . 8 1 1 A 52 52 GLY N N 58 108.920 108.434 0.486 1 1 584 . 8 1 1 A 53 53 ASN H H 59 8.877 9.267 -0.390 1 1 585 . 8 1 1 A 53 53 ASN HA H 59 4.034 4.631 -0.597 1 1 588 . 8 1 1 A 53 53 ASN C C 59 176.319 174.359 1.960 1 1 589 . 8 1 1 A 53 53 ASN CA C 59 57.108 54.903 2.205 1 1 590 . 8 1 1 A 53 53 ASN CB C 59 39.672 38.559 1.113 1 1 591 . 8 1 1 A 53 53 ASN N N 59 117.281 120.653 -3.372 1 1 592 . 8 1 1 A 54 54 GLY H H 60 8.949 7.627 1.322 1 1 593 . 8 1 1 A 54 54 GLY HA2 H 60 4.222 4.010 0.212 1 1 594 . 8 1 1 A 54 54 GLY HA3 H 60 3.348 4.025 -0.677 1 1 595 . 8 1 1 A 54 54 GLY C C 60 174.096 172.030 2.066 1 1 596 . 8 1 1 A 54 54 GLY CA C 60 44.931 45.958 -1.027 1 1 597 . 8 1 1 A 54 54 GLY N N 60 114.860 105.553 9.307 1 1 598 . 8 1 1 A 55 55 ASP H H 61 7.991 8.404 -0.413 1 1 599 . 8 1 1 A 55 55 ASP HA H 61 4.493 4.961 -0.468 1 1 602 . 8 1 1 A 55 55 ASP C C 61 174.727 173.883 0.844 1 1 603 . 8 1 1 A 55 55 ASP CA C 61 54.408 52.858 1.550 1 1 604 . 8 1 1 A 55 55 ASP CB C 61 41.780 43.271 -1.491 1 1 605 . 8 1 1 A 55 55 ASP N N 61 121.974 123.629 -1.655 1 1 606 . 8 1 1 A 56 56 SER H H 62 8.485 8.337 0.148 1 1 607 . 8 1 1 A 56 56 SER HA H 62 4.959 5.103 -0.144 1 1 610 . 8 1 1 A 56 56 SER C C 62 173.099 171.899 1.200 1 1 611 . 8 1 1 A 56 56 SER CA C 62 57.154 57.031 0.123 1 1 612 . 8 1 1 A 56 56 SER CB C 62 64.522 66.037 -1.515 1 1 613 . 8 1 1 A 56 56 SER N N 62 113.088 114.577 -1.489 1 1 614 . 8 1 1 A 57 57 LEU H H 63 9.004 8.830 0.174 1 1 615 . 8 1 1 A 57 57 LEU HA H 63 4.500 5.119 -0.619 1 1 625 . 8 1 1 A 57 57 LEU C C 63 175.943 176.786 -0.843 1 1 626 . 8 1 1 A 57 57 LEU CA C 63 53.070 54.114 -1.044 1 1 627 . 8 1 1 A 57 57 LEU CB C 63 43.800 43.671 0.129 1 1 630 . 8 1 1 A 57 57 LEU N N 63 126.423 125.466 0.957 1 1 631 . 8 1 1 A 58 58 ASN H H 64 8.484 8.809 -0.325 1 1 632 . 8 1 1 A 58 58 ASN HA H 64 4.752 4.724 0.028 1 1 635 . 8 1 1 A 58 58 ASN C C 64 173.916 175.268 -1.352 1 1 636 . 8 1 1 A 58 58 ASN CA C 64 50.587 53.986 -3.399 1 1 637 . 8 1 1 A 58 58 ASN CB C 64 35.153 38.592 -3.439 1 1 638 . 8 1 1 A 58 58 ASN N N 64 125.624 124.907 0.717 1 1 639 . 8 1 1 A 59 59 THR H H 65 7.747 7.997 -0.250 1 1 640 . 8 1 1 A 59 59 THR HA H 65 4.770 4.626 0.144 1 1 645 . 8 1 1 A 59 59 THR C C 65 177.245 175.259 1.986 1 1 646 . 8 1 1 A 59 59 THR CA C 65 63.213 61.142 2.071 1 1 647 . 8 1 1 A 59 59 THR CB C 65 63.510 70.460 -6.950 1 1 649 . 8 1 1 A 59 59 THR N N 65 113.770 117.175 -3.405 1 1 650 . 8 1 1 A 60 60 GLY H H 66 8.869 8.516 0.353 1 1 651 . 8 1 1 A 60 60 GLY HA2 H 66 3.839 3.765 0.074 1 1 652 . 8 1 1 A 60 60 GLY HA3 H 66 3.724 3.768 -0.044 1 1 653 . 8 1 1 A 60 60 GLY C C 66 173.279 175.318 -2.039 1 1 654 . 8 1 1 A 60 60 GLY CA C 66 44.892 46.528 -1.636 1 1 655 . 8 1 1 A 60 60 GLY N N 66 114.430 111.223 3.207 1 1 656 . 8 1 1 A 61 61 LYS H H 67 6.376 8.080 -1.704 1 1 657 . 8 1 1 A 61 61 LYS HA H 67 4.021 4.386 -0.365 1 1 666 . 8 1 1 A 61 61 LYS C C 67 176.315 174.611 1.704 1 1 667 . 8 1 1 A 61 61 LYS CA C 67 54.298 55.102 -0.804 1 1 668 . 8 1 1 A 61 61 LYS CB C 67 32.200 30.929 1.271 1 1 672 . 8 1 1 A 61 61 LYS N N 67 112.620 125.734 -13.114 1 1 673 . 8 1 1 A 62 62 LEU H H 68 7.335 7.745 -0.410 1 1 674 . 8 1 1 A 62 62 LEU HA H 68 4.275 4.895 -0.620 1 1 684 . 8 1 1 A 62 62 LEU C C 68 176.306 175.927 0.379 1 1 685 . 8 1 1 A 62 62 LEU CA C 68 52.479 53.284 -0.805 1 1 686 . 8 1 1 A 62 62 LEU CB C 68 40.600 44.532 -3.932 1 1 689 . 8 1 1 A 62 62 LEU N N 68 116.704 123.776 -7.072 1 1 690 . 8 1 1 A 63 63 LYS H H 69 8.506 8.304 0.202 1 1 691 . 8 1 1 A 63 63 LYS HA H 69 3.992 4.168 -0.176 1 1 700 . 8 1 1 A 63 63 LYS C C 69 175.886 175.832 0.054 1 1 701 . 8 1 1 A 63 63 LYS CA C 69 54.986 56.870 -1.884 1 1 702 . 8 1 1 A 63 63 LYS CB C 69 32.447 33.183 -0.736 1 1 706 . 8 1 1 A 63 63 LYS N N 69 119.841 121.276 -1.435 1 1 707 . 8 1 1 A 64 64 ASN H H 70 8.080 8.622 -0.542 1 1 708 . 8 1 1 A 64 64 ASN HA H 70 3.839 4.997 -1.158 1 1 713 . 8 1 1 A 64 64 ASN C C 70 174.449 174.546 -0.097 1 1 714 . 8 1 1 A 64 64 ASN CA C 70 54.417 51.518 2.899 1 1 715 . 8 1 1 A 64 64 ASN CB C 70 38.129 39.112 -0.983 1 1 716 . 8 1 1 A 64 64 ASN N N 70 121.515 122.307 -0.792 1 1 718 . 8 1 1 A 65 65 ASP H H 71 9.218 8.803 0.415 1 1 719 . 8 1 1 A 65 65 ASP HA H 71 3.690 4.273 -0.583 1 1 722 . 8 1 1 A 65 65 ASP C C 71 173.016 174.893 -1.877 1 1 723 . 8 1 1 A 65 65 ASP CA C 71 54.726 55.364 -0.638 1 1 724 . 8 1 1 A 65 65 ASP CB C 71 38.534 39.870 -1.336 1 1 725 . 8 1 1 A 65 65 ASP N N 71 113.370 116.761 -3.391 1 1 726 . 8 1 1 A 66 66 LYS H H 72 6.443 7.500 -1.057 1 1 727 . 8 1 1 A 66 66 LYS HA H 72 4.411 4.608 -0.197 1 1 734 . 8 1 1 A 66 66 LYS C C 72 174.745 175.302 -0.557 1 1 735 . 8 1 1 A 66 66 LYS CA C 72 53.094 55.532 -2.438 1 1 736 . 8 1 1 A 66 66 LYS CB C 72 36.099 33.605 2.494 1 1 739 . 8 1 1 A 66 66 LYS N N 72 113.415 115.606 -2.191 1 1 740 . 8 1 1 A 67 67 VAL H H 73 8.679 8.534 0.145 1 1 741 . 8 1 1 A 67 67 VAL HA H 73 4.189 4.288 -0.099 1 1 749 . 8 1 1 A 67 67 VAL C C 73 176.630 174.671 1.959 1 1 750 . 8 1 1 A 67 67 VAL CA C 73 62.135 60.721 1.414 1 1 751 . 8 1 1 A 67 67 VAL CB C 73 32.001 32.646 -0.645 1 1 753 . 8 1 1 A 67 67 VAL N N 73 122.098 118.902 3.196 1 1 754 . 8 1 1 A 68 68 SER H H 74 9.497 8.916 0.581 1 1 755 . 8 1 1 A 68 68 SER HA H 74 4.507 4.766 -0.259 1 1 758 . 8 1 1 A 68 68 SER C C 74 172.249 173.958 -1.709 1 1 759 . 8 1 1 A 68 68 SER CA C 74 58.323 58.111 0.212 1 1 760 . 8 1 1 A 68 68 SER CB C 74 64.028 64.061 -0.033 1 1 761 . 8 1 1 A 68 68 SER N N 74 127.048 123.878 3.170 1 1 762 . 8 1 1 A 69 69 ARG H H 75 7.848 8.256 -0.408 1 1 763 . 8 1 1 A 69 69 ARG HA H 75 5.031 4.448 0.583 1 1 770 . 8 1 1 A 69 69 ARG C C 75 173.300 175.572 -2.272 1 1 771 . 8 1 1 A 69 69 ARG CA C 75 55.337 55.785 -0.448 1 1 772 . 8 1 1 A 69 69 ARG CB C 75 31.871 30.549 1.322 1 1 775 . 8 1 1 A 69 69 ARG N N 75 122.621 125.173 -2.552 1 1 776 . 8 1 1 A 70 70 PHE H H 76 9.246 8.753 0.493 1 1 777 . 8 1 1 A 70 70 PHE HA H 76 4.808 5.026 -0.218 1 1 784 . 8 1 1 A 70 70 PHE C C 76 175.788 174.327 1.461 1 1 785 . 8 1 1 A 70 70 PHE CA C 76 55.245 56.678 -1.433 1 1 786 . 8 1 1 A 70 70 PHE CB C 76 43.645 43.434 0.211 1 1 787 . 8 1 1 A 70 70 PHE N N 76 118.087 120.720 -2.633 1 1 788 . 8 1 1 A 71 71 ASP H H 77 9.144 9.230 -0.086 1 1 789 . 8 1 1 A 71 71 ASP HA H 77 5.360 5.385 -0.025 1 1 792 . 8 1 1 A 71 71 ASP C C 77 176.477 175.091 1.386 1 1 793 . 8 1 1 A 71 71 ASP CA C 77 55.131 53.339 1.792 1 1 794 . 8 1 1 A 71 71 ASP CB C 77 41.301 42.822 -1.521 1 1 795 . 8 1 1 A 71 71 ASP N N 77 123.565 122.862 0.703 1 1 796 . 8 1 1 A 72 72 PHE H H 78 9.094 8.957 0.137 1 1 797 . 8 1 1 A 72 72 PHE HA H 78 6.431 4.985 1.446 1 1 805 . 8 1 1 A 72 72 PHE C C 78 174.014 173.694 0.320 1 1 806 . 8 1 1 A 72 72 PHE CA C 78 54.934 57.221 -2.287 1 1 807 . 8 1 1 A 72 72 PHE CB C 78 42.491 41.311 1.180 1 1 808 . 8 1 1 A 72 72 PHE N N 78 119.663 124.928 -5.265 1 1 809 . 8 1 1 A 73 73 ILE H H 79 8.623 9.135 -0.512 1 1 810 . 8 1 1 A 73 73 ILE HA H 79 4.334 5.179 -0.845 1 1 820 . 8 1 1 A 73 73 ILE C C 79 173.961 174.765 -0.804 1 1 821 . 8 1 1 A 73 73 ILE CA C 79 61.222 59.795 1.427 1 1 822 . 8 1 1 A 73 73 ILE CB C 79 41.918 40.451 1.467 1 1 826 . 8 1 1 A 73 73 ILE N N 79 119.750 129.123 -9.373 1 1 827 . 8 1 1 A 74 74 ARG H H 80 9.052 8.954 0.098 1 1 828 . 8 1 1 A 74 74 ARG HA H 80 5.311 5.176 0.135 1 1 835 . 8 1 1 A 74 74 ARG C C 80 174.870 174.752 0.118 1 1 836 . 8 1 1 A 74 74 ARG CA C 80 54.449 54.322 0.127 1 1 837 . 8 1 1 A 74 74 ARG CB C 80 33.740 33.962 -0.222 1 1 840 . 8 1 1 A 74 74 ARG N N 80 128.407 124.010 4.397 1 1 841 . 8 1 1 A 75 75 GLN H H 81 9.304 9.136 0.168 1 1 842 . 8 1 1 A 75 75 GLN HA H 81 5.562 5.184 0.378 1 1 849 . 8 1 1 A 75 75 GLN C C 81 173.678 173.886 -0.208 1 1 850 . 8 1 1 A 75 75 GLN CA C 81 53.745 53.755 -0.010 1 1 851 . 8 1 1 A 75 75 GLN CB C 81 34.013 32.762 1.251 1 1 853 . 8 1 1 A 75 75 GLN N N 81 125.481 118.826 6.655 1 1 855 . 8 1 1 A 76 76 ILE H H 82 8.592 8.739 -0.147 1 1 856 . 8 1 1 A 76 76 ILE HA H 82 4.576 4.709 -0.133 1 1 866 . 8 1 1 A 76 76 ILE C C 82 172.511 174.379 -1.868 1 1 867 . 8 1 1 A 76 76 ILE CA C 82 59.622 59.254 0.368 1 1 868 . 8 1 1 A 76 76 ILE CB C 82 42.248 41.352 0.896 1 1 872 . 8 1 1 A 76 76 ILE N N 82 115.536 120.884 -5.348 1 1 873 . 8 1 1 A 77 77 GLU H H 83 8.433 8.319 0.114 1 1 874 . 8 1 1 A 77 77 GLU HA H 83 4.936 4.738 0.198 1 1 879 . 8 1 1 A 77 77 GLU C C 83 175.614 176.070 -0.456 1 1 880 . 8 1 1 A 77 77 GLU CA C 83 54.812 56.570 -1.758 1 1 881 . 8 1 1 A 77 77 GLU CB C 83 30.465 30.201 0.264 1 1 883 . 8 1 1 A 77 77 GLU N N 83 124.858 125.653 -0.795 1 1 884 . 8 1 1 A 78 78 VAL H H 84 8.879 8.871 0.008 1 1 885 . 8 1 1 A 78 78 VAL HA H 84 4.076 4.345 -0.269 1 1 893 . 8 1 1 A 78 78 VAL C C 84 175.694 175.482 0.212 1 1 894 . 8 1 1 A 78 78 VAL CA C 84 61.382 61.144 0.238 1 1 895 . 8 1 1 A 78 78 VAL CB C 84 34.014 31.129 2.885 1 1 897 . 8 1 1 A 78 78 VAL N N 84 126.973 125.387 1.586 1 1 898 . 8 1 1 A 79 79 ASP H H 85 9.329 9.530 -0.201 1 1 899 . 8 1 1 A 79 79 ASP HA H 85 4.156 4.351 -0.195 1 1 902 . 8 1 1 A 79 79 ASP C C 85 175.774 176.286 -0.512 1 1 903 . 8 1 1 A 79 79 ASP CA C 85 55.125 55.729 -0.604 1 1 904 . 8 1 1 A 79 79 ASP CB C 85 38.926 39.583 -0.657 1 1 905 . 8 1 1 A 79 79 ASP N N 85 129.387 129.485 -0.098 1 1 906 . 8 1 1 A 80 80 GLY H H 86 8.575 8.513 0.062 1 1 907 . 8 1 1 A 80 80 GLY HA2 H 86 3.992 3.839 0.153 1 1 908 . 8 1 1 A 80 80 GLY HA3 H 86 3.507 3.839 -0.332 1 1 909 . 8 1 1 A 80 80 GLY C C 86 173.366 173.875 -0.509 1 1 910 . 8 1 1 A 80 80 GLY CA C 86 44.759 45.297 -0.538 1 1 911 . 8 1 1 A 80 80 GLY N N 86 103.293 104.450 -1.157 1 1 912 . 8 1 1 A 81 81 GLN H H 87 7.751 7.975 -0.224 1 1 913 . 8 1 1 A 81 81 GLN HA H 87 4.482 4.538 -0.056 1 1 918 . 8 1 1 A 81 81 GLN C C 87 173.874 175.146 -1.272 1 1 919 . 8 1 1 A 81 81 GLN CA C 87 53.328 54.934 -1.606 1 1 920 . 8 1 1 A 81 81 GLN CB C 87 30.670 30.233 0.437 1 1 922 . 8 1 1 A 81 81 GLN N N 87 119.688 119.753 -0.065 1 1 923 . 8 1 1 A 82 82 LEU H H 88 8.418 8.716 -0.298 1 1 924 . 8 1 1 A 82 82 LEU HA H 88 4.630 4.944 -0.314 1 1 934 . 8 1 1 A 82 82 LEU C C 88 176.289 175.870 0.419 1 1 935 . 8 1 1 A 82 82 LEU CA C 88 53.834 53.694 0.140 1 1 936 . 8 1 1 A 82 82 LEU CB C 88 41.737 41.742 -0.005 1 1 940 . 8 1 1 A 82 82 LEU N N 88 123.523 123.684 -0.161 1 1 941 . 8 1 1 A 83 83 ILE H H 89 9.146 8.772 0.374 1 1 942 . 8 1 1 A 83 83 ILE HA H 89 4.249 5.032 -0.783 1 1 952 . 8 1 1 A 83 83 ILE C C 89 175.698 174.998 0.700 1 1 953 . 8 1 1 A 83 83 ILE CA C 89 59.363 60.202 -0.839 1 1 954 . 8 1 1 A 83 83 ILE CB C 89 39.633 41.084 -1.451 1 1 958 . 8 1 1 A 83 83 ILE N N 89 127.151 124.824 2.327 1 1 959 . 8 1 1 A 84 84 THR H H 90 8.656 8.942 -0.286 1 1 960 . 8 1 1 A 84 84 THR HA H 90 4.203 4.860 -0.657 1 1 965 . 8 1 1 A 84 84 THR C C 90 172.890 173.478 -0.588 1 1 966 . 8 1 1 A 84 84 THR CA C 90 62.641 61.369 1.272 1 1 967 . 8 1 1 A 84 84 THR CB C 90 68.634 70.194 -1.560 1 1 969 . 8 1 1 A 84 84 THR N N 90 123.099 124.202 -1.103 1 1 970 . 8 1 1 A 85 85 LEU H H 91 8.967 8.675 0.292 1 1 971 . 8 1 1 A 85 85 LEU HA H 91 4.256 4.671 -0.415 1 1 980 . 8 1 1 A 85 85 LEU C C 91 177.371 175.791 1.580 1 1 981 . 8 1 1 A 85 85 LEU CA C 91 55.527 54.305 1.222 1 1 982 . 8 1 1 A 85 85 LEU CB C 91 44.315 43.281 1.034 1 1 984 . 8 1 1 A 85 85 LEU N N 91 125.333 127.963 -2.630 1 1 985 . 8 1 1 A 86 86 GLU H H 92 7.503 7.937 -0.434 1 1 986 . 8 1 1 A 86 86 GLU HA H 92 5.026 4.770 0.256 1 1 991 . 8 1 1 A 86 86 GLU C C 92 172.723 175.806 -3.083 1 1 992 . 8 1 1 A 86 86 GLU CA C 92 54.670 55.705 -1.035 1 1 993 . 8 1 1 A 86 86 GLU CB C 92 33.717 29.968 3.749 1 1 995 . 8 1 1 A 86 86 GLU N N 92 116.655 120.320 -3.665 1 1 996 . 8 1 1 A 87 87 SER H H 93 8.954 8.935 0.019 1 1 997 . 8 1 1 A 87 87 SER HA H 93 4.245 5.671 -1.426 1 1 1000 . 8 1 1 A 87 87 SER C C 93 172.763 173.236 -0.473 1 1 1001 . 8 1 1 A 87 87 SER CA C 93 57.328 56.656 0.672 1 1 1002 . 8 1 1 A 87 87 SER CB C 93 65.493 66.222 -0.729 1 1 1003 . 8 1 1 A 87 87 SER N N 93 117.941 120.171 -2.230 1 1 1004 . 8 1 1 A 88 88 GLY H H 94 6.932 8.329 -1.397 1 1 1005 . 8 1 1 A 88 88 GLY HA2 H 94 3.694 4.269 -0.575 1 1 1006 . 8 1 1 A 88 88 GLY HA3 H 94 3.694 4.276 -0.582 1 1 1007 . 8 1 1 A 88 88 GLY C C 94 171.117 172.302 -1.185 1 1 1008 . 8 1 1 A 88 88 GLY CA C 94 46.575 45.498 1.077 1 1 1009 . 8 1 1 A 88 88 GLY N N 94 108.625 110.723 -2.098 1 1 1010 . 8 1 1 A 89 89 GLU H H 95 9.669 8.899 0.770 1 1 1011 . 8 1 1 A 89 89 GLU HA H 95 5.642 4.780 0.862 1 1 1016 . 8 1 1 A 89 89 GLU C C 95 173.226 175.310 -2.084 1 1 1017 . 8 1 1 A 89 89 GLU CA C 95 54.786 56.466 -1.680 1 1 1018 . 8 1 1 A 89 89 GLU CB C 95 34.334 30.885 3.449 1 1 1020 . 8 1 1 A 89 89 GLU N N 95 128.231 120.561 7.670 1 1 1021 . 8 1 1 A 90 90 PHE H H 96 10.365 8.894 1.471 1 1 1022 . 8 1 1 A 90 90 PHE HA H 96 5.048 4.719 0.329 1 1 1029 . 8 1 1 A 90 90 PHE C C 96 173.039 173.216 -0.177 1 1 1030 . 8 1 1 A 90 90 PHE CA C 96 54.616 57.536 -2.920 1 1 1031 . 8 1 1 A 90 90 PHE CB C 96 42.090 41.038 1.052 1 1 1032 . 8 1 1 A 90 90 PHE N N 96 131.583 125.246 6.337 1 1 1033 . 8 1 1 A 91 91 GLN H H 97 8.685 8.482 0.203 1 1 1034 . 8 1 1 A 91 91 GLN HA H 97 4.959 4.653 0.306 1 1 1041 . 8 1 1 A 91 91 GLN C C 97 174.151 174.837 -0.686 1 1 1042 . 8 1 1 A 91 91 GLN CA C 97 53.174 55.175 -2.001 1 1 1043 . 8 1 1 A 91 91 GLN CB C 97 28.812 29.753 -0.941 1 1 1045 . 8 1 1 A 91 91 GLN N N 97 126.465 128.099 -1.634 1 1 1047 . 8 1 1 A 92 92 VAL H H 98 8.675 9.072 -0.397 1 1 1048 . 8 1 1 A 92 92 VAL HA H 98 4.569 4.374 0.195 1 1 1056 . 8 1 1 A 92 92 VAL C C 98 173.802 175.008 -1.206 1 1 1057 . 8 1 1 A 92 92 VAL CA C 98 59.715 61.375 -1.660 1 1 1058 . 8 1 1 A 92 92 VAL CB C 98 35.074 32.115 2.959 1 1 1061 . 8 1 1 A 92 92 VAL N N 98 118.841 127.470 -8.629 1 1 1062 . 8 1 1 A 93 93 TYR H H 99 8.896 8.934 -0.038 1 1 1063 . 8 1 1 A 93 93 TYR HA H 99 4.940 4.800 0.140 1 1 1070 . 8 1 1 A 93 93 TYR C C 99 173.330 175.004 -1.674 1 1 1071 . 8 1 1 A 93 93 TYR CA C 99 56.948 59.209 -2.261 1 1 1072 . 8 1 1 A 93 93 TYR CB C 99 40.780 39.687 1.093 1 1 1073 . 8 1 1 A 93 93 TYR N N 99 127.563 128.053 -0.490 1 1 1074 . 8 1 1 A 94 94 LYS H H 100 5.813 8.946 -3.133 1 1 1075 . 8 1 1 A 94 94 LYS HA H 100 4.248 5.201 -0.953 1 1 1082 . 8 1 1 A 94 94 LYS CA C 100 55.660 54.834 0.826 1 1 1083 . 8 1 1 A 94 94 LYS CB C 100 35.870 35.830 0.040 1 1 1084 . 8 1 1 A 94 94 LYS N N 100 128.378 123.876 4.502 1 1 1085 . 8 1 1 A 95 95 GLN H H 101 8.438 8.676 -0.238 1 1 1086 . 8 1 1 A 95 95 GLN HA H 101 5.028 4.711 0.317 1 1 1091 . 8 1 1 A 95 95 GLN C C 101 174.080 175.742 -1.662 1 1 1092 . 8 1 1 A 95 95 GLN CA C 101 54.043 55.073 -1.030 1 1 1093 . 8 1 1 A 95 95 GLN CB C 101 27.209 29.766 -2.557 1 1 1095 . 8 1 1 A 95 95 GLN N N 101 125.809 126.147 -0.338 1 1 1096 . 8 1 1 A 96 96 SER H H 102 9.057 8.342 0.715 1 1 1097 . 8 1 1 A 96 96 SER HA H 102 3.041 4.485 -1.444 1 1 1100 . 8 1 1 A 96 96 SER CA C 102 62.985 59.918 3.067 1 1 1101 . 8 1 1 A 96 96 SER CB C 102 63.242 64.577 -1.335 1 1 1102 . 8 1 1 A 96 96 SER N N 102 117.650 117.158 0.492 1 1 1103 . 8 1 1 A 97 97 HIS H H 103 10.115 8.478 1.637 1 1 1104 . 8 1 1 A 97 97 HIS HA H 103 4.406 4.797 -0.391 1 1 1109 . 8 1 1 A 97 97 HIS CA C 103 53.809 56.111 -2.302 1 1 1110 . 8 1 1 A 97 97 HIS CB C 103 30.329 31.755 -1.426 1 1 1111 . 8 1 1 A 97 97 HIS N N 103 118.385 114.516 3.869 1 1 1112 . 8 1 1 A 98 98 SER H H 104 7.241 7.955 -0.714 1 1 1113 . 8 1 1 A 98 98 SER HA H 104 4.406 5.009 -0.603 1 1 1116 . 8 1 1 A 98 98 SER CA C 104 56.712 55.986 0.726 1 1 1117 . 8 1 1 A 98 98 SER CB C 104 65.461 65.999 -0.538 1 1 1118 . 8 1 1 A 98 98 SER N N 104 112.298 112.437 -0.139 1 1 1119 . 8 1 1 A 99 99 ALA H H 105 8.418 8.703 -0.285 1 1 1120 . 8 1 1 A 99 99 ALA HA H 105 4.753 4.961 -0.208 1 1 1124 . 8 1 1 A 99 99 ALA C C 105 173.181 176.056 -2.875 1 1 1125 . 8 1 1 A 99 99 ALA CA C 105 51.363 51.568 -0.205 1 1 1126 . 8 1 1 A 99 99 ALA CB C 105 22.271 23.545 -1.274 1 1 1127 . 8 1 1 A 99 99 ALA N N 105 116.790 121.464 -4.674 1 1 1128 . 8 1 1 A 100 100 LEU H H 106 8.376 8.763 -0.387 1 1 1129 . 8 1 1 A 100 100 LEU HA H 106 5.549 5.162 0.387 1 1 1139 . 8 1 1 A 100 100 LEU C C 106 175.338 174.956 0.382 1 1 1140 . 8 1 1 A 100 100 LEU CA C 106 53.753 53.356 0.397 1 1 1141 . 8 1 1 A 100 100 LEU CB C 106 46.393 46.247 0.146 1 1 1145 . 8 1 1 A 100 100 LEU N N 106 115.214 117.027 -1.813 1 1 1146 . 8 1 1 A 101 101 THR H H 107 8.685 8.894 -0.209 1 1 1147 . 8 1 1 A 101 101 THR HA H 107 5.287 5.149 0.138 1 1 1152 . 8 1 1 A 101 101 THR C C 107 172.493 173.011 -0.518 1 1 1153 . 8 1 1 A 101 101 THR CA C 107 57.069 59.611 -2.542 1 1 1154 . 8 1 1 A 101 101 THR CB C 107 71.308 71.592 -0.284 1 1 1156 . 8 1 1 A 101 101 THR N N 107 109.441 116.204 -6.763 1 1 1157 . 8 1 1 A 102 102 ALA H H 108 8.459 8.488 -0.029 1 1 1158 . 8 1 1 A 102 102 ALA HA H 108 4.366 5.077 -0.711 1 1 1162 . 8 1 1 A 102 102 ALA C C 108 173.439 175.886 -2.447 1 1 1163 . 8 1 1 A 102 102 ALA CA C 108 51.015 50.826 0.189 1 1 1164 . 8 1 1 A 102 102 ALA CB C 108 23.424 23.416 0.008 1 1 1165 . 8 1 1 A 102 102 ALA N N 108 120.716 126.143 -5.427 1 1 1166 . 8 1 1 A 103 103 PHE H H 109 8.510 8.773 -0.263 1 1 1167 . 8 1 1 A 103 103 PHE HA H 109 4.715 4.992 -0.277 1 1 1175 . 8 1 1 A 103 103 PHE C C 109 174.173 175.027 -0.854 1 1 1176 . 8 1 1 A 103 103 PHE CA C 109 56.640 56.192 0.448 1 1 1177 . 8 1 1 A 103 103 PHE CB C 109 41.926 41.459 0.467 1 1 1178 . 8 1 1 A 103 103 PHE N N 109 115.041 119.192 -4.151 1 1 1179 . 8 1 1 A 104 104 GLN H H 110 9.832 8.241 1.591 1 1 1180 . 8 1 1 A 104 104 GLN HA H 110 5.226 4.882 0.344 1 1 1187 . 8 1 1 A 104 104 GLN C C 110 175.186 174.623 0.563 1 1 1188 . 8 1 1 A 104 104 GLN CA C 110 53.213 54.803 -1.590 1 1 1189 . 8 1 1 A 104 104 GLN CB C 110 29.161 29.387 -0.226 1 1 1191 . 8 1 1 A 104 104 GLN N N 110 124.526 121.245 3.281 1 1 1193 . 8 1 1 A 105 105 THR H H 111 9.566 8.332 1.234 1 1 1194 . 8 1 1 A 105 105 THR HA H 111 4.186 4.586 -0.400 1 1 1199 . 8 1 1 A 105 105 THR C C 111 174.538 173.794 0.744 1 1 1200 . 8 1 1 A 105 105 THR CA C 111 66.408 62.198 4.210 1 1 1201 . 8 1 1 A 105 105 THR CB C 111 69.385 69.835 -0.450 1 1 1203 . 8 1 1 A 105 105 THR N N 111 126.760 119.296 7.464 1 1 1204 . 8 1 1 A 106 106 GLU H H 112 9.303 8.684 0.619 1 1 1205 . 8 1 1 A 106 106 GLU HA H 112 4.811 4.612 0.199 1 1 1210 . 8 1 1 A 106 106 GLU C C 112 177.397 176.073 1.324 1 1 1211 . 8 1 1 A 106 106 GLU CA C 112 56.227 57.391 -1.164 1 1 1212 . 8 1 1 A 106 106 GLU CB C 112 31.283 31.760 -0.477 1 1 1214 . 8 1 1 A 106 106 GLU N N 112 121.685 125.225 -3.540 1 1 1215 . 8 1 1 A 107 107 GLN H H 113 7.954 7.612 0.342 1 1 1216 . 8 1 1 A 107 107 GLN HA H 113 5.233 4.442 0.791 1 1 1221 . 8 1 1 A 107 107 GLN C C 113 173.999 175.052 -1.053 1 1 1222 . 8 1 1 A 107 107 GLN CA C 113 53.837 55.979 -2.142 1 1 1223 . 8 1 1 A 107 107 GLN CB C 113 32.543 29.195 3.348 1 1 1225 . 8 1 1 A 107 107 GLN N N 113 117.612 116.246 1.366 1 1 1226 . 8 1 1 A 108 108 ILE H H 114 8.969 8.213 0.756 1 1 1227 . 8 1 1 A 108 108 ILE HA H 114 4.907 4.710 0.197 1 1 1237 . 8 1 1 A 108 108 ILE C C 114 174.089 173.985 0.104 1 1 1238 . 8 1 1 A 108 108 ILE CA C 114 58.954 59.276 -0.322 1 1 1239 . 8 1 1 A 108 108 ILE CB C 114 42.799 41.520 1.279 1 1 1243 . 8 1 1 A 108 108 ILE N N 114 115.049 122.477 -7.428 1 1 1244 . 8 1 1 A 109 109 GLN H H 115 7.421 8.398 -0.977 1 1 1245 . 8 1 1 A 109 109 GLN HA H 115 4.405 4.658 -0.253 1 1 1252 . 8 1 1 A 109 109 GLN C C 115 175.654 175.222 0.432 1 1 1253 . 8 1 1 A 109 109 GLN CA C 115 56.086 55.865 0.221 1 1 1254 . 8 1 1 A 109 109 GLN CB C 115 28.483 29.655 -1.172 1 1 1256 . 8 1 1 A 109 109 GLN N N 115 121.959 127.068 -5.109 1 1 1258 . 8 1 1 A 110 110 ASP H H 116 8.569 9.284 -0.715 1 1 1259 . 8 1 1 A 110 110 ASP HA H 116 4.377 4.941 -0.564 1 1 1262 . 8 1 1 A 110 110 ASP C C 116 176.662 175.530 1.132 1 1 1263 . 8 1 1 A 110 110 ASP CA C 116 53.511 53.362 0.149 1 1 1264 . 8 1 1 A 110 110 ASP CB C 116 41.187 41.479 -0.292 1 1 1265 . 8 1 1 A 110 110 ASP N N 116 125.621 122.288 3.333 1 1 1266 . 8 1 1 A 111 111 SER H H 117 8.445 9.060 -0.615 1 1 1267 . 8 1 1 A 111 111 SER HA H 117 4.024 4.445 -0.421 1 1 1270 . 8 1 1 A 111 111 SER C C 117 174.783 175.105 -0.322 1 1 1271 . 8 1 1 A 111 111 SER CA C 117 60.782 57.965 2.817 1 1 1272 . 8 1 1 A 111 111 SER CB C 117 62.560 62.366 0.194 1 1 1273 . 8 1 1 A 111 111 SER N N 117 120.732 120.511 0.221 1 1 1274 . 8 1 1 A 112 112 GLU H H 118 8.246 8.437 -0.191 1 1 1275 . 8 1 1 A 112 112 GLU HA H 118 4.044 4.623 -0.579 1 1 1280 . 8 1 1 A 112 112 GLU C C 118 175.899 176.468 -0.569 1 1 1281 . 8 1 1 A 112 112 GLU CA C 118 56.016 56.636 -0.620 1 1 1282 . 8 1 1 A 112 112 GLU CB C 118 29.853 32.126 -2.273 1 1 1284 . 8 1 1 A 112 112 GLU N N 118 119.367 119.494 -0.127 1 1 1285 . 8 1 1 A 113 113 HIS H H 119 7.418 7.638 -0.220 1 1 1286 . 8 1 1 A 113 113 HIS HA H 119 4.607 4.765 -0.158 1 1 1291 . 8 1 1 A 113 113 HIS C C 119 173.527 175.057 -1.530 1 1 1292 . 8 1 1 A 113 113 HIS CA C 119 54.515 55.413 -0.898 1 1 1293 . 8 1 1 A 113 113 HIS CB C 119 28.667 30.592 -1.925 1 1 1294 . 8 1 1 A 113 113 HIS N N 119 117.287 119.637 -2.350 1 1 1295 . 8 1 1 A 114 114 SER H H 120 8.398 8.313 0.085 1 1 1296 . 8 1 1 A 114 114 SER HA H 120 4.183 4.027 0.156 1 1 1299 . 8 1 1 A 114 114 SER C C 120 175.690 175.090 0.600 1 1 1300 . 8 1 1 A 114 114 SER CA C 120 59.149 60.574 -1.425 1 1 1301 . 8 1 1 A 114 114 SER CB C 120 62.820 61.148 1.672 1 1 1302 . 8 1 1 A 114 114 SER N N 120 116.771 113.577 3.194 1 1 1303 . 8 1 1 A 115 115 GLY H H 121 8.733 8.610 0.123 1 1 1304 . 8 1 1 A 115 115 GLY HA2 H 121 4.052 4.010 0.042 1 1 1305 . 8 1 1 A 115 115 GLY HA3 H 121 3.724 4.038 -0.314 1 1 1306 . 8 1 1 A 115 115 GLY C C 121 173.540 173.706 -0.166 1 1 1307 . 8 1 1 A 115 115 GLY CA C 121 44.692 45.346 -0.654 1 1 1308 . 8 1 1 A 115 115 GLY N N 121 112.197 108.104 4.093 1 1 1309 . 8 1 1 A 116 116 LYS H H 122 7.796 7.692 0.104 1 1 1310 . 8 1 1 A 116 116 LYS HA H 122 4.465 4.817 -0.352 1 1 1317 . 8 1 1 A 116 116 LYS C C 122 175.090 174.984 0.106 1 1 1318 . 8 1 1 A 116 116 LYS CA C 122 55.122 54.276 0.846 1 1 1319 . 8 1 1 A 116 116 LYS CB C 122 33.861 35.089 -1.228 1 1 1322 . 8 1 1 A 116 116 LYS N N 122 120.212 119.618 0.594 1 1 1323 . 8 1 1 A 117 117 MET H H 123 8.348 8.695 -0.347 1 1 1324 . 8 1 1 A 117 117 MET HA H 123 5.082 5.071 0.011 1 1 1332 . 8 1 1 A 117 117 MET C C 123 176.210 173.884 2.326 1 1 1333 . 8 1 1 A 117 117 MET CA C 123 52.928 54.385 -1.457 1 1 1334 . 8 1 1 A 117 117 MET CB C 123 33.841 36.064 -2.223 1 1 1337 . 8 1 1 A 117 117 MET N N 123 119.755 120.336 -0.581 1 1 1338 . 8 1 1 A 118 118 VAL H H 124 9.242 8.268 0.974 1 1 1339 . 8 1 1 A 118 118 VAL HA H 124 4.469 4.709 -0.240 1 1 1347 . 8 1 1 A 118 118 VAL C C 124 173.967 173.838 0.129 1 1 1348 . 8 1 1 A 118 118 VAL CA C 124 59.056 60.096 -1.040 1 1 1349 . 8 1 1 A 118 118 VAL CB C 124 34.376 35.841 -1.465 1 1 1351 . 8 1 1 A 118 118 VAL N N 124 118.546 122.469 -3.923 1 1 1352 . 8 1 1 A 119 119 ALA H H 125 8.327 8.854 -0.527 1 1 1353 . 8 1 1 A 119 119 ALA HA H 125 4.624 5.134 -0.510 1 1 1357 . 8 1 1 A 119 119 ALA C C 125 177.165 175.884 1.281 1 1 1358 . 8 1 1 A 119 119 ALA CA C 125 52.043 50.601 1.442 1 1 1359 . 8 1 1 A 119 119 ALA CB C 125 18.232 19.839 -1.607 1 1 1360 . 8 1 1 A 119 119 ALA N N 125 125.947 126.533 -0.586 1 1 1361 . 8 1 1 A 120 120 LYS H H 126 7.604 8.642 -1.038 1 1 1362 . 8 1 1 A 120 120 LYS HA H 126 4.046 4.741 -0.695 1 1 1371 . 8 1 1 A 120 120 LYS C C 126 172.631 175.637 -3.006 1 1 1372 . 8 1 1 A 120 120 LYS CA C 126 56.023 54.888 1.135 1 1 1373 . 8 1 1 A 120 120 LYS CB C 126 34.482 32.624 1.858 1 1 1377 . 8 1 1 A 120 120 LYS N N 126 126.149 123.622 2.527 1 1 1378 . 8 1 1 A 121 121 ARG H H 127 8.308 8.724 -0.416 1 1 1379 . 8 1 1 A 121 121 ARG HA H 127 4.901 4.486 0.415 1 1 1384 . 8 1 1 A 121 121 ARG C C 127 176.253 175.163 1.090 1 1 1385 . 8 1 1 A 121 121 ARG CA C 127 55.564 55.444 0.120 1 1 1386 . 8 1 1 A 121 121 ARG CB C 127 28.273 28.584 -0.311 1 1 1388 . 8 1 1 A 121 121 ARG N N 127 122.760 124.741 -1.981 1 1 1389 . 8 1 1 A 122 122 GLN H H 128 7.529 9.093 -1.564 1 1 1390 . 8 1 1 A 122 122 GLN HA H 128 4.541 4.670 -0.129 1 1 1397 . 8 1 1 A 122 122 GLN C C 128 172.163 174.590 -2.427 1 1 1398 . 8 1 1 A 122 122 GLN CA C 128 54.218 54.877 -0.659 1 1 1399 . 8 1 1 A 122 122 GLN CB C 128 32.064 29.021 3.043 1 1 1401 . 8 1 1 A 122 122 GLN N N 128 121.022 124.671 -3.649 1 1 1403 . 8 1 1 A 123 123 PHE H H 129 8.620 8.793 -0.173 1 1 1404 . 8 1 1 A 123 123 PHE HA H 129 6.040 5.108 0.932 1 1 1411 . 8 1 1 A 123 123 PHE C C 129 174.530 174.307 0.223 1 1 1412 . 8 1 1 A 123 123 PHE CA C 129 56.026 56.667 -0.641 1 1 1413 . 8 1 1 A 123 123 PHE CB C 129 42.143 40.712 1.431 1 1 1414 . 8 1 1 A 123 123 PHE N N 129 125.540 128.962 -3.422 1 1 1415 . 8 1 1 A 124 124 ARG H H 130 8.018 7.925 0.093 1 1 1416 . 8 1 1 A 124 124 ARG HA H 130 4.366 4.623 -0.257 1 1 1423 . 8 1 1 A 124 124 ARG C C 130 172.139 174.152 -2.013 1 1 1424 . 8 1 1 A 124 124 ARG CA C 130 53.422 53.511 -0.089 1 1 1425 . 8 1 1 A 124 124 ARG CB C 130 32.310 34.116 -1.806 1 1 1428 . 8 1 1 A 124 124 ARG N N 130 125.264 126.153 -0.889 1 1 1429 . 8 1 1 A 125 125 ILE H H 131 8.462 7.796 0.666 1 1 1430 . 8 1 1 A 125 125 ILE HA H 131 3.883 4.130 -0.247 1 1 1440 . 8 1 1 A 125 125 ILE C C 131 175.487 175.175 0.312 1 1 1441 . 8 1 1 A 125 125 ILE CA C 131 58.339 61.500 -3.161 1 1 1442 . 8 1 1 A 125 125 ILE CB C 131 35.673 39.018 -3.345 1 1 1446 . 8 1 1 A 125 125 ILE N N 131 121.887 123.680 -1.793 1 1 1447 . 8 1 1 A 126 126 GLY H H 132 8.814 7.935 0.879 1 1 1448 . 8 1 1 A 126 126 GLY HA2 H 132 4.062 4.157 -0.095 1 1 1449 . 8 1 1 A 126 126 GLY HA3 H 132 4.062 4.232 -0.170 1 1 1450 . 8 1 1 A 126 126 GLY C C 132 171.583 172.895 -1.312 1 1 1451 . 8 1 1 A 126 126 GLY CA C 132 44.157 43.852 0.305 1 1 1452 . 8 1 1 A 126 126 GLY N N 132 115.675 114.821 0.854 1 1 1453 . 8 1 1 A 127 127 ASP H H 133 7.914 8.538 -0.624 1 1 1454 . 8 1 1 A 127 127 ASP HA H 133 4.584 4.632 -0.048 1 1 1457 . 8 1 1 A 127 127 ASP C C 133 174.132 176.255 -2.123 1 1 1458 . 8 1 1 A 127 127 ASP CA C 133 54.822 54.529 0.293 1 1 1459 . 8 1 1 A 127 127 ASP CB C 133 45.407 41.586 3.821 1 1 1460 . 8 1 1 A 127 127 ASP N N 133 123.737 119.257 4.480 1 1 1461 . 8 1 1 A 128 128 ILE H H 134 8.258 8.477 -0.219 1 1 1462 . 8 1 1 A 128 128 ILE HA H 134 4.392 4.596 -0.204 1 1 1472 . 8 1 1 A 128 128 ILE C C 134 174.799 175.214 -0.415 1 1 1473 . 8 1 1 A 128 128 ILE CA C 134 61.596 60.443 1.153 1 1 1474 . 8 1 1 A 128 128 ILE CB C 134 37.549 39.707 -2.158 1 1 1478 . 8 1 1 A 128 128 ILE N N 134 119.105 122.504 -3.399 1 1 1479 . 8 1 1 A 129 129 ALA H H 135 8.607 8.640 -0.033 1 1 1480 . 8 1 1 A 129 129 ALA HA H 135 4.757 5.301 -0.544 1 1 1484 . 8 1 1 A 129 129 ALA C C 135 173.358 175.798 -2.440 1 1 1485 . 8 1 1 A 129 129 ALA CA C 135 50.608 50.775 -0.167 1 1 1486 . 8 1 1 A 129 129 ALA CB C 135 23.348 23.243 0.105 1 1 1487 . 8 1 1 A 129 129 ALA N N 135 129.336 128.303 1.033 1 1 1488 . 8 1 1 A 130 130 GLY H H 136 7.514 8.283 -0.769 1 1 1489 . 8 1 1 A 130 130 GLY HA2 H 136 3.551 4.106 -0.555 1 1 1490 . 8 1 1 A 130 130 GLY HA3 H 136 4.422 4.150 0.272 1 1 1491 . 8 1 1 A 130 130 GLY C C 136 172.609 171.844 0.765 1 1 1492 . 8 1 1 A 130 130 GLY CA C 136 44.315 44.813 -0.498 1 1 1493 . 8 1 1 A 130 130 GLY N N 136 101.232 107.077 -5.845 1 1 1494 . 8 1 1 A 131 131 GLU H H 137 8.225 8.175 0.050 1 1 1495 . 8 1 1 A 131 131 GLU HA H 137 4.540 4.877 -0.337 1 1 1500 . 8 1 1 A 131 131 GLU C C 137 174.864 175.468 -0.604 1 1 1501 . 8 1 1 A 131 131 GLU CA C 137 53.120 55.620 -2.500 1 1 1502 . 8 1 1 A 131 131 GLU CB C 137 28.254 31.260 -3.006 1 1 1504 . 8 1 1 A 131 131 GLU N N 137 121.002 120.109 0.893 1 1 1505 . 8 1 1 A 132 132 HIS H H 138 8.054 8.800 -0.746 1 1 1506 . 8 1 1 A 132 132 HIS HA H 138 4.771 5.408 -0.637 1 1 1511 . 8 1 1 A 132 132 HIS C C 138 175.411 173.425 1.986 1 1 1512 . 8 1 1 A 132 132 HIS CA C 138 57.942 53.925 4.017 1 1 1513 . 8 1 1 A 132 132 HIS CB C 138 27.710 31.772 -4.062 1 1 1514 . 8 1 1 A 132 132 HIS N N 138 124.204 119.164 5.040 1 1 1515 . 8 1 1 A 133 133 THR H H 139 9.056 8.786 0.270 1 1 1516 . 8 1 1 A 133 133 THR HA H 139 3.864 4.963 -1.099 1 1 1521 . 8 1 1 A 133 133 THR C C 139 174.178 174.019 0.159 1 1 1522 . 8 1 1 A 133 133 THR CA C 139 63.225 61.123 2.102 1 1 1523 . 8 1 1 A 133 133 THR CB C 139 68.127 69.232 -1.105 1 1 1525 . 8 1 1 A 133 133 THR N N 139 125.345 118.656 6.689 1 1 1526 . 8 1 1 A 134 134 SER H H 140 8.834 8.157 0.677 1 1 1527 . 8 1 1 A 134 134 SER HA H 140 4.560 4.860 -0.300 1 1 1530 . 8 1 1 A 134 134 SER C C 140 176.713 175.147 1.566 1 1 1531 . 8 1 1 A 134 134 SER CA C 140 57.961 57.470 0.491 1 1 1532 . 8 1 1 A 134 134 SER CB C 140 63.030 64.447 -1.417 1 1 1533 . 8 1 1 A 134 134 SER N N 140 121.791 116.849 4.942 1 1 1534 . 8 1 1 A 135 135 PHE H H 141 9.597 8.050 1.547 1 1 1535 . 8 1 1 A 135 135 PHE HA H 141 3.953 4.259 -0.306 1 1 1542 . 8 1 1 A 135 135 PHE C C 141 175.375 176.951 -1.576 1 1 1543 . 8 1 1 A 135 135 PHE CA C 141 61.339 61.295 0.044 1 1 1544 . 8 1 1 A 135 135 PHE CB C 141 39.394 39.206 0.188 1 1 1545 . 8 1 1 A 135 135 PHE N N 141 128.822 122.005 6.817 1 1 1546 . 8 1 1 A 136 136 ASP H H 142 8.017 8.638 -0.621 1 1 1547 . 8 1 1 A 136 136 ASP HA H 142 4.352 4.306 0.046 1 1 1550 . 8 1 1 A 136 136 ASP C C 142 175.358 176.973 -1.615 1 1 1551 . 8 1 1 A 136 136 ASP CA C 142 55.223 56.046 -0.823 1 1 1552 . 8 1 1 A 136 136 ASP CB C 142 40.968 40.557 0.411 1 1 1553 . 8 1 1 A 136 136 ASP N N 142 113.108 118.090 -4.982 1 1 1554 . 8 1 1 A 137 137 LYS H H 143 7.340 7.442 -0.102 1 1 1555 . 8 1 1 A 137 137 LYS HA H 143 4.439 4.418 0.021 1 1 1564 . 8 1 1 A 137 137 LYS C C 143 175.571 176.233 -0.662 1 1 1565 . 8 1 1 A 137 137 LYS CA C 143 54.096 55.739 -1.643 1 1 1566 . 8 1 1 A 137 137 LYS CB C 143 32.545 33.643 -1.098 1 1 1570 . 8 1 1 A 137 137 LYS N N 143 117.716 117.063 0.653 1 1 1571 . 8 1 1 A 138 138 LEU H H 144 6.698 7.248 -0.550 1 1 1572 . 8 1 1 A 138 138 LEU HA H 144 3.903 4.384 -0.481 1 1 1582 . 8 1 1 A 138 138 LEU C C 144 174.123 175.247 -1.124 1 1 1583 . 8 1 1 A 138 138 LEU CA C 144 52.843 52.592 0.251 1 1 1584 . 8 1 1 A 138 138 LEU CB C 144 40.993 41.512 -0.519 1 1 1588 . 8 1 1 A 138 138 LEU N N 144 120.536 121.383 -0.847 1 1 1589 . 8 1 1 A 139 139 PRO HA H 145 4.040 4.645 -0.605 1 1 1596 . 8 1 1 A 139 139 PRO C C 145 172.700 176.019 -3.319 1 1 1597 . 8 1 1 A 139 139 PRO CA C 145 62.654 62.352 0.302 1 1 1598 . 8 1 1 A 139 139 PRO CB C 145 30.086 32.901 -2.815 1 1 1601 . 8 1 1 A 140 140 GLU H H 146 8.343 8.620 -0.277 1 1 1602 . 8 1 1 A 140 140 GLU HA H 146 3.970 4.769 -0.799 1 1 1607 . 8 1 1 A 140 140 GLU C C 146 176.009 175.591 0.418 1 1 1608 . 8 1 1 A 140 140 GLU CA C 146 56.119 55.608 0.511 1 1 1609 . 8 1 1 A 140 140 GLU CB C 146 30.086 30.360 -0.274 1 1 1611 . 8 1 1 A 140 140 GLU N N 146 119.063 120.779 -1.716 1 1 1612 . 8 1 1 A 141 141 GLY H H 147 7.241 7.690 -0.449 1 1 1613 . 8 1 1 A 141 141 GLY HA2 H 147 3.918 4.122 -0.204 1 1 1614 . 8 1 1 A 141 141 GLY HA3 H 147 3.814 4.162 -0.348 1 1 1615 . 8 1 1 A 141 141 GLY C C 147 171.657 173.104 -1.447 1 1 1616 . 8 1 1 A 141 141 GLY CA C 147 43.929 45.772 -1.843 1 1 1617 . 8 1 1 A 141 141 GLY N N 147 104.270 108.648 -4.378 1 1 1618 . 8 1 1 A 142 142 GLY H H 148 8.241 8.536 -0.295 1 1 1619 . 8 1 1 A 142 142 GLY HA2 H 148 3.710 4.153 -0.443 1 1 1620 . 8 1 1 A 142 142 GLY HA3 H 148 4.350 4.158 0.192 1 1 1621 . 8 1 1 A 142 142 GLY C C 148 171.767 172.723 -0.956 1 1 1622 . 8 1 1 A 142 142 GLY CA C 148 43.649 44.624 -0.975 1 1 1623 . 8 1 1 A 142 142 GLY N N 148 106.996 108.895 -1.899 1 1 1624 . 8 1 1 A 143 143 ARG H H 149 8.214 8.554 -0.340 1 1 1625 . 8 1 1 A 143 143 ARG HA H 149 5.376 5.294 0.082 1 1 1632 . 8 1 1 A 143 143 ARG C C 149 174.981 175.106 -0.125 1 1 1633 . 8 1 1 A 143 143 ARG CA C 149 54.235 55.025 -0.790 1 1 1634 . 8 1 1 A 143 143 ARG CB C 149 32.988 31.818 1.170 1 1 1637 . 8 1 1 A 143 143 ARG N N 149 117.762 121.341 -3.579 1 1 1638 . 8 1 1 A 144 144 ALA H H 150 9.030 9.101 -0.071 1 1 1639 . 8 1 1 A 144 144 ALA HA H 150 4.730 5.289 -0.559 1 1 1643 . 8 1 1 A 144 144 ALA C C 150 175.012 175.761 -0.749 1 1 1644 . 8 1 1 A 144 144 ALA CA C 150 50.732 50.184 0.548 1 1 1645 . 8 1 1 A 144 144 ALA CB C 150 23.448 21.511 1.937 1 1 1646 . 8 1 1 A 144 144 ALA N N 150 126.630 128.269 -1.639 1 1 1647 . 8 1 1 A 145 145 THR H H 151 8.560 8.693 -0.133 1 1 1648 . 8 1 1 A 145 145 THR HA H 151 4.846 4.624 0.222 1 1 1653 . 8 1 1 A 145 145 THR C C 151 171.870 173.299 -1.429 1 1 1654 . 8 1 1 A 145 145 THR CA C 151 61.997 62.611 -0.614 1 1 1655 . 8 1 1 A 145 145 THR CB C 151 69.746 69.706 0.040 1 1 1657 . 8 1 1 A 145 145 THR N N 151 117.942 118.944 -1.002 1 1 1658 . 8 1 1 A 146 146 TYR H H 152 10.008 8.760 1.248 1 1 1659 . 8 1 1 A 146 146 TYR HA H 152 4.580 5.275 -0.695 1 1 1666 . 8 1 1 A 146 146 TYR C C 152 174.627 174.379 0.248 1 1 1667 . 8 1 1 A 146 146 TYR CA C 152 55.835 56.527 -0.692 1 1 1668 . 8 1 1 A 146 146 TYR CB C 152 40.094 43.320 -3.226 1 1 1669 . 8 1 1 A 146 146 TYR N N 152 126.097 125.592 0.505 1 1 1670 . 8 1 1 A 147 147 ARG H H 153 8.860 8.931 -0.071 1 1 1671 . 8 1 1 A 147 147 ARG HA H 153 5.404 5.336 0.068 1 1 1678 . 8 1 1 A 147 147 ARG C C 153 177.446 175.400 2.046 1 1 1679 . 8 1 1 A 147 147 ARG CA C 153 54.024 54.536 -0.512 1 1 1680 . 8 1 1 A 147 147 ARG CB C 153 33.539 33.904 -0.365 1 1 1683 . 8 1 1 A 147 147 ARG N N 153 121.042 123.603 -2.561 1 1 1684 . 8 1 1 A 148 148 GLY H H 154 8.916 8.370 0.546 1 1 1685 . 8 1 1 A 148 148 GLY HA2 H 154 4.816 4.275 0.541 1 1 1686 . 8 1 1 A 148 148 GLY HA3 H 154 4.422 4.282 0.140 1 1 1687 . 8 1 1 A 148 148 GLY C C 154 173.831 171.761 2.070 1 1 1688 . 8 1 1 A 148 148 GLY CA C 154 46.752 45.565 1.187 1 1 1689 . 8 1 1 A 148 148 GLY N N 154 114.154 111.729 2.425 1 1 1690 . 8 1 1 A 149 149 THR H H 155 9.063 8.505 0.558 1 1 1691 . 8 1 1 A 149 149 THR HA H 155 4.711 5.104 -0.393 1 1 1696 . 8 1 1 A 149 149 THR C C 155 170.370 173.443 -3.073 1 1 1697 . 8 1 1 A 149 149 THR CA C 155 62.316 61.388 0.928 1 1 1698 . 8 1 1 A 149 149 THR CB C 155 72.596 70.925 1.671 1 1 1700 . 8 1 1 A 149 149 THR N N 155 126.410 115.772 10.638 1 1 1701 . 8 1 1 A 150 150 ALA H H 156 7.091 8.924 -1.833 1 1 1702 . 8 1 1 A 150 150 ALA HA H 156 5.289 5.130 0.159 1 1 1706 . 8 1 1 A 150 150 ALA C C 156 173.965 176.309 -2.344 1 1 1707 . 8 1 1 A 150 150 ALA CA C 156 48.843 50.516 -1.673 1 1 1708 . 8 1 1 A 150 150 ALA CB C 156 22.573 20.389 2.184 1 1 1709 . 8 1 1 A 150 150 ALA N N 156 127.540 127.393 0.147 1 1 1710 . 8 1 1 A 151 151 PHE H H 157 8.536 8.501 0.035 1 1 1711 . 8 1 1 A 151 151 PHE HA H 157 5.442 5.828 -0.386 1 1 1718 . 8 1 1 A 151 151 PHE C C 157 171.891 174.676 -2.785 1 1 1719 . 8 1 1 A 151 151 PHE CA C 157 53.282 55.326 -2.044 1 1 1720 . 8 1 1 A 151 151 PHE CB C 157 41.020 41.862 -0.842 1 1 1721 . 8 1 1 A 151 151 PHE N N 157 117.013 120.729 -3.716 1 1 1722 . 8 1 1 A 152 152 GLY H H 158 8.548 8.571 -0.023 1 1 1723 . 8 1 1 A 152 152 GLY HA2 H 158 4.003 4.222 -0.219 1 1 1724 . 8 1 1 A 152 152 GLY HA3 H 158 3.124 4.298 -1.174 1 1 1725 . 8 1 1 A 152 152 GLY C C 158 173.148 173.856 -0.708 1 1 1726 . 8 1 1 A 152 152 GLY CA C 158 42.630 45.396 -2.766 1 1 1727 . 8 1 1 A 152 152 GLY N N 158 108.356 108.332 0.024 1 1 1728 . 8 1 1 A 153 153 SER H H 159 7.610 7.833 -0.223 1 1 1729 . 8 1 1 A 153 153 SER HA H 159 3.421 3.918 -0.497 1 1 1732 . 8 1 1 A 153 153 SER C C 159 176.057 174.208 1.849 1 1 1733 . 8 1 1 A 153 153 SER CA C 159 58.787 58.445 0.342 1 1 1734 . 8 1 1 A 153 153 SER CB C 159 61.886 61.628 0.258 1 1 1735 . 8 1 1 A 153 153 SER N N 159 115.173 114.677 0.496 1 1 1736 . 8 1 1 A 154 154 ASP H H 160 9.894 8.712 1.182 1 1 1737 . 8 1 1 A 154 154 ASP HA H 160 4.168 5.029 -0.861 1 1 1740 . 8 1 1 A 154 154 ASP C C 160 175.191 177.079 -1.888 1 1 1741 . 8 1 1 A 154 154 ASP CA C 160 55.398 55.373 0.025 1 1 1742 . 8 1 1 A 154 154 ASP CB C 160 39.212 43.625 -4.413 1 1 1743 . 8 1 1 A 154 154 ASP N N 160 124.828 120.718 4.110 1 1 1744 . 8 1 1 A 155 155 ASP H H 161 7.520 7.748 -0.228 1 1 1745 . 8 1 1 A 155 155 ASP HA H 161 4.568 4.982 -0.414 1 1 1748 . 8 1 1 A 155 155 ASP C C 161 172.658 175.987 -3.329 1 1 1749 . 8 1 1 A 155 155 ASP CA C 161 54.342 55.693 -1.351 1 1 1750 . 8 1 1 A 155 155 ASP CB C 161 40.619 42.466 -1.847 1 1 1751 . 8 1 1 A 155 155 ASP N N 161 116.749 118.207 -1.458 1 1 1752 . 8 1 1 A 156 156 ALA H H 162 8.544 8.192 0.352 1 1 1753 . 8 1 1 A 156 156 ALA HA H 162 4.916 4.247 0.669 1 1 1757 . 8 1 1 A 156 156 ALA C C 162 177.708 177.697 0.011 1 1 1758 . 8 1 1 A 156 156 ALA CA C 162 49.878 53.643 -3.765 1 1 1759 . 8 1 1 A 156 156 ALA CB C 162 17.473 18.203 -0.730 1 1 1760 . 8 1 1 A 156 156 ALA N N 162 128.246 120.948 7.298 1 1 1761 . 8 1 1 A 157 157 GLY H H 163 8.406 8.692 -0.286 1 1 1762 . 8 1 1 A 157 157 GLY HA2 H 163 4.286 3.973 0.313 1 1 1763 . 8 1 1 A 157 157 GLY HA3 H 163 3.894 3.987 -0.093 1 1 1764 . 8 1 1 A 157 157 GLY C C 163 174.344 174.781 -0.437 1 1 1765 . 8 1 1 A 157 157 GLY CA C 163 45.049 45.766 -0.717 1 1 1766 . 8 1 1 A 157 157 GLY N N 163 106.545 106.111 0.434 1 1 1767 . 8 1 1 A 158 158 GLY H H 164 7.128 8.108 -0.980 1 1 1768 . 8 1 1 A 158 158 GLY HA2 H 164 4.118 4.009 0.109 1 1 1769 . 8 1 1 A 158 158 GLY HA3 H 164 3.641 4.034 -0.393 1 1 1770 . 8 1 1 A 158 158 GLY C C 164 173.903 172.926 0.977 1 1 1771 . 8 1 1 A 158 158 GLY CA C 164 45.225 45.314 -0.089 1 1 1772 . 8 1 1 A 158 158 GLY N N 164 106.404 107.890 -1.486 1 1 1773 . 8 1 1 A 159 159 LYS H H 165 9.647 8.277 1.370 1 1 1774 . 8 1 1 A 159 159 LYS HA H 165 5.052 4.947 0.105 1 1 1781 . 8 1 1 A 159 159 LYS C C 165 174.390 175.363 -0.973 1 1 1782 . 8 1 1 A 159 159 LYS CA C 165 53.501 54.445 -0.944 1 1 1783 . 8 1 1 A 159 159 LYS CB C 165 34.622 36.555 -1.933 1 1 1786 . 8 1 1 A 159 159 LYS N N 165 123.930 121.127 2.803 1 1 1787 . 8 1 1 A 160 160 LEU H H 166 7.706 8.484 -0.778 1 1 1788 . 8 1 1 A 160 160 LEU HA H 166 4.873 5.266 -0.393 1 1 1798 . 8 1 1 A 160 160 LEU C C 166 174.825 175.187 -0.362 1 1 1799 . 8 1 1 A 160 160 LEU CA C 166 52.677 52.732 -0.055 1 1 1800 . 8 1 1 A 160 160 LEU CB C 166 44.629 46.254 -1.625 1 1 1804 . 8 1 1 A 160 160 LEU N N 166 126.271 118.908 7.363 1 1 1805 . 8 1 1 A 161 161 THR H H 167 8.374 8.702 -0.328 1 1 1806 . 8 1 1 A 161 161 THR HA H 167 4.949 5.009 -0.060 1 1 1811 . 8 1 1 A 161 161 THR C C 167 172.102 173.573 -1.471 1 1 1812 . 8 1 1 A 161 161 THR CA C 167 61.761 61.498 0.263 1 1 1813 . 8 1 1 A 161 161 THR CB C 167 70.169 70.674 -0.505 1 1 1815 . 8 1 1 A 161 161 THR N N 167 122.977 115.715 7.262 1 1 1816 . 8 1 1 A 162 162 TYR H H 168 9.174 9.166 0.008 1 1 1817 . 8 1 1 A 162 162 TYR HA H 168 4.766 5.392 -0.626 1 1 1824 . 8 1 1 A 162 162 TYR C C 168 172.249 175.257 -3.008 1 1 1825 . 8 1 1 A 162 162 TYR CA C 168 58.162 57.018 1.144 1 1 1826 . 8 1 1 A 162 162 TYR CB C 168 43.746 41.579 2.167 1 1 1827 . 8 1 1 A 162 162 TYR N N 168 128.112 126.252 1.860 1 1 1828 . 8 1 1 A 163 163 THR H H 169 8.711 9.005 -0.294 1 1 1829 . 8 1 1 A 163 163 THR HA H 169 5.402 5.300 0.102 1 1 1834 . 8 1 1 A 163 163 THR C C 169 172.520 172.122 0.398 1 1 1835 . 8 1 1 A 163 163 THR CA C 169 60.804 60.489 0.315 1 1 1836 . 8 1 1 A 163 163 THR CB C 169 70.818 71.655 -0.837 1 1 1838 . 8 1 1 A 163 163 THR N N 169 124.549 115.242 9.307 1 1 1839 . 8 1 1 A 164 164 ILE H H 170 8.927 8.997 -0.070 1 1 1840 . 8 1 1 A 164 164 ILE HA H 170 4.313 4.913 -0.600 1 1 1850 . 8 1 1 A 164 164 ILE C C 170 173.105 173.607 -0.502 1 1 1851 . 8 1 1 A 164 164 ILE CA C 170 60.595 59.582 1.013 1 1 1852 . 8 1 1 A 164 164 ILE CB C 170 41.274 41.261 0.013 1 1 1856 . 8 1 1 A 164 164 ILE N N 170 123.685 128.401 -4.716 1 1 1857 . 8 1 1 A 165 165 ASP H H 171 8.372 8.337 0.035 1 1 1858 . 8 1 1 A 165 165 ASP HA H 171 4.750 4.916 -0.166 1 1 1861 . 8 1 1 A 165 165 ASP C C 171 177.213 176.742 0.471 1 1 1862 . 8 1 1 A 165 165 ASP CA C 171 51.669 53.207 -1.538 1 1 1863 . 8 1 1 A 165 165 ASP CB C 171 41.730 40.976 0.754 1 1 1864 . 8 1 1 A 165 165 ASP N N 171 125.168 129.244 -4.076 1 1 1865 . 8 1 1 A 166 166 PHE H H 172 8.968 8.926 0.042 1 1 1866 . 8 1 1 A 166 166 PHE HA H 172 3.879 4.381 -0.502 1 1 1874 . 8 1 1 A 166 166 PHE C C 172 176.940 177.258 -0.318 1 1 1875 . 8 1 1 A 166 166 PHE CA C 172 61.543 60.757 0.786 1 1 1876 . 8 1 1 A 166 166 PHE CB C 172 37.424 38.110 -0.686 1 1 1877 . 8 1 1 A 166 166 PHE N N 172 123.597 124.520 -0.923 1 1 1878 . 8 1 1 A 167 167 ALA H H 173 8.266 7.792 0.474 1 1 1879 . 8 1 1 A 167 167 ALA HA H 173 4.322 4.286 0.036 1 1 1883 . 8 1 1 A 167 167 ALA C C 173 178.888 179.256 -0.368 1 1 1884 . 8 1 1 A 167 167 ALA CA C 173 54.458 54.848 -0.390 1 1 1885 . 8 1 1 A 167 167 ALA CB C 173 17.591 18.740 -1.149 1 1 1886 . 8 1 1 A 167 167 ALA N N 173 122.113 122.029 0.084 1 1 1887 . 8 1 1 A 168 168 ALA H H 174 7.405 7.917 -0.512 1 1 1888 . 8 1 1 A 168 168 ALA HA H 174 4.096 4.375 -0.279 1 1 1892 . 8 1 1 A 168 168 ALA C C 174 176.605 176.728 -0.123 1 1 1893 . 8 1 1 A 168 168 ALA CA C 174 51.225 52.020 -0.795 1 1 1894 . 8 1 1 A 168 168 ALA CB C 174 18.307 19.415 -1.108 1 1 1895 . 8 1 1 A 168 168 ALA N N 174 118.760 118.428 0.332 1 1 1896 . 8 1 1 A 169 169 LYS H H 175 7.906 7.847 0.059 1 1 1897 . 8 1 1 A 169 169 LYS HA H 175 3.391 3.777 -0.386 1 1 1904 . 8 1 1 A 169 169 LYS C C 175 174.608 174.588 0.020 1 1 1905 . 8 1 1 A 169 169 LYS CA C 175 57.049 57.425 -0.376 1 1 1906 . 8 1 1 A 169 169 LYS CB C 175 30.051 28.991 1.060 1 1 1909 . 8 1 1 A 169 169 LYS N N 175 114.394 114.967 -0.573 1 1 1910 . 8 1 1 A 170 170 GLN H H 176 7.629 7.153 0.476 1 1 1911 . 8 1 1 A 170 170 GLN HA H 176 5.414 4.766 0.648 1 1 1918 . 8 1 1 A 170 170 GLN C C 176 174.325 175.004 -0.679 1 1 1919 . 8 1 1 A 170 170 GLN CA C 176 54.393 54.232 0.161 1 1 1920 . 8 1 1 A 170 170 GLN CB C 176 34.771 30.911 3.860 1 1 1922 . 8 1 1 A 170 170 GLN N N 176 116.433 117.119 -0.686 1 1 1924 . 8 1 1 A 171 171 GLY H H 177 8.854 9.071 -0.217 1 1 1925 . 8 1 1 A 171 171 GLY HA2 H 177 5.205 3.978 1.227 1 1 1926 . 8 1 1 A 171 171 GLY HA3 H 177 3.526 4.003 -0.477 1 1 1927 . 8 1 1 A 171 171 GLY C C 177 170.842 173.099 -2.257 1 1 1928 . 8 1 1 A 171 171 GLY CA C 177 44.621 46.820 -2.199 1 1 1929 . 8 1 1 A 171 171 GLY N N 177 110.189 112.837 -2.648 1 1 1930 . 8 1 1 A 172 172 ASN H H 178 7.637 8.671 -1.034 1 1 1931 . 8 1 1 A 172 172 ASN HA H 178 4.224 5.085 -0.861 1 1 1936 . 8 1 1 A 172 172 ASN C C 178 171.546 174.726 -3.180 1 1 1937 . 8 1 1 A 172 172 ASN CA C 178 53.729 51.555 2.174 1 1 1938 . 8 1 1 A 172 172 ASN CB C 178 41.543 40.199 1.344 1 1 1939 . 8 1 1 A 172 172 ASN N N 178 112.667 124.110 -11.443 1 1 1941 . 8 1 1 A 173 173 GLY H H 179 9.103 8.519 0.584 1 1 1942 . 8 1 1 A 173 173 GLY HA2 H 179 4.491 4.429 0.062 1 1 1943 . 8 1 1 A 173 173 GLY HA3 H 179 4.084 4.438 -0.354 1 1 1944 . 8 1 1 A 173 173 GLY C C 179 172.400 171.594 0.806 1 1 1945 . 8 1 1 A 173 173 GLY CA C 179 47.199 46.174 1.025 1 1 1946 . 8 1 1 A 173 173 GLY N N 179 106.686 108.686 -2.000 1 1 1947 . 8 1 1 A 174 174 LYS H H 180 9.179 8.382 0.797 1 1 1948 . 8 1 1 A 174 174 LYS HA H 180 4.821 4.983 -0.162 1 1 1957 . 8 1 1 A 174 174 LYS C C 180 172.518 174.460 -1.942 1 1 1958 . 8 1 1 A 174 174 LYS CA C 180 56.617 55.090 1.527 1 1 1959 . 8 1 1 A 174 174 LYS CB C 180 35.373 35.899 -0.526 1 1 1963 . 8 1 1 A 174 174 LYS N N 180 121.816 116.461 5.355 1 1 1964 . 8 1 1 A 175 175 ILE H H 181 8.351 8.620 -0.269 1 1 1965 . 8 1 1 A 175 175 ILE HA H 181 4.581 4.716 -0.135 1 1 1973 . 8 1 1 A 175 175 ILE C C 181 173.997 175.533 -1.536 1 1 1974 . 8 1 1 A 175 175 ILE CA C 181 60.490 59.624 0.866 1 1 1975 . 8 1 1 A 175 175 ILE CB C 181 39.573 39.215 0.358 1 1 1978 . 8 1 1 A 175 175 ILE N N 181 123.400 122.632 0.768 1 1 1979 . 8 1 1 A 176 176 GLU H H 182 8.492 8.396 0.096 1 1 1980 . 8 1 1 A 176 176 GLU HA H 182 4.471 4.815 -0.344 1 1 1985 . 8 1 1 A 176 176 GLU C C 182 175.392 175.615 -0.223 1 1 1986 . 8 1 1 A 176 176 GLU CA C 182 53.410 56.124 -2.714 1 1 1987 . 8 1 1 A 176 176 GLU CB C 182 35.479 32.322 3.157 1 1 1989 . 8 1 1 A 176 176 GLU N N 182 122.287 124.972 -2.685 1 1 1990 . 8 1 1 A 177 177 HIS H H 183 8.431 8.193 0.238 1 1 1991 . 8 1 1 A 177 177 HIS HA H 183 3.975 4.652 -0.677 1 1 1996 . 8 1 1 A 177 177 HIS C C 183 176.008 174.570 1.438 1 1 1997 . 8 1 1 A 177 177 HIS CA C 183 57.533 56.605 0.928 1 1 1998 . 8 1 1 A 177 177 HIS CB C 183 27.362 32.692 -5.330 1 1 1999 . 8 1 1 A 177 177 HIS N N 183 109.605 124.170 -14.565 1 1 2000 . 8 1 1 A 178 178 LEU H H 184 9.603 7.831 1.772 1 1 2001 . 8 1 1 A 178 178 LEU HA H 184 4.276 4.195 0.081 1 1 2011 . 8 1 1 A 178 178 LEU C C 184 178.805 178.363 0.442 1 1 2012 . 8 1 1 A 178 178 LEU CA C 184 56.034 54.786 1.248 1 1 2013 . 8 1 1 A 178 178 LEU CB C 184 39.882 42.085 -2.203 1 1 2017 . 8 1 1 A 178 178 LEU N N 184 124.374 119.709 4.665 1 1 2018 . 8 1 1 A 179 179 LYS H H 185 10.002 8.528 1.474 1 1 2019 . 8 1 1 A 179 179 LYS HA H 185 3.682 3.953 -0.271 1 1 2028 . 8 1 1 A 179 179 LYS C C 185 177.660 176.674 0.986 1 1 2029 . 8 1 1 A 179 179 LYS CA C 185 57.721 58.967 -1.246 1 1 2030 . 8 1 1 A 179 179 LYS CB C 185 31.949 32.488 -0.539 1 1 2034 . 8 1 1 A 179 179 LYS N N 185 122.880 121.728 1.152 1 1 2035 . 8 1 1 A 180 180 SER H H 186 7.262 7.991 -0.729 1 1 2036 . 8 1 1 A 180 180 SER HA H 186 4.672 4.964 -0.292 1 1 2039 . 8 1 1 A 180 180 SER C C 186 173.086 174.060 -0.974 1 1 2040 . 8 1 1 A 180 180 SER CA C 186 54.576 55.488 -0.912 1 1 2041 . 8 1 1 A 180 180 SER CB C 186 62.715 65.303 -2.588 1 1 2042 . 8 1 1 A 180 180 SER N N 186 115.187 113.619 1.568 1 1 2043 . 8 1 1 A 181 181 PRO HA H 187 3.956 4.322 -0.366 1 1 2050 . 8 1 1 A 181 181 PRO CA C 187 65.359 65.376 -0.017 1 1 2051 . 8 1 1 A 181 181 PRO CB C 187 32.061 31.779 0.282 1 1 2054 . 8 1 1 A 182 182 GLU H H 188 8.076 8.295 -0.219 1 1 2055 . 8 1 1 A 182 182 GLU HA H 188 3.011 4.187 -1.176 1 1 2060 . 8 1 1 A 182 182 GLU C C 188 173.944 177.941 -3.997 1 1 2061 . 8 1 1 A 182 182 GLU CA C 188 56.597 58.722 -2.125 1 1 2062 . 8 1 1 A 182 182 GLU CB C 188 29.581 29.460 0.121 1 1 2064 . 8 1 1 A 182 182 GLU N N 188 113.034 117.886 -4.852 1 1 2065 . 8 1 1 A 183 183 LEU H H 189 7.126 7.268 -0.142 1 1 2066 . 8 1 1 A 183 183 LEU HA H 189 3.970 4.451 -0.481 1 1 2076 . 8 1 1 A 183 183 LEU C C 189 175.597 176.991 -1.394 1 1 2077 . 8 1 1 A 183 183 LEU CA C 189 53.849 55.255 -1.406 1 1 2078 . 8 1 1 A 183 183 LEU CB C 189 41.152 42.652 -1.500 1 1 2082 . 8 1 1 A 183 183 LEU N N 189 112.896 119.054 -6.158 1 1 2083 . 8 1 1 A 184 184 ASN H H 190 6.952 7.820 -0.868 1 1 2084 . 8 1 1 A 184 184 ASN HA H 190 4.596 4.727 -0.131 1 1 2089 . 8 1 1 A 184 184 ASN C C 190 175.694 174.820 0.874 1 1 2090 . 8 1 1 A 184 184 ASN CA C 190 53.200 53.731 -0.531 1 1 2091 . 8 1 1 A 184 184 ASN CB C 190 36.466 39.118 -2.652 1 1 2092 . 8 1 1 A 184 184 ASN N N 190 117.865 117.437 0.428 1 1 2094 . 8 1 1 A 185 185 VAL H H 191 7.178 8.648 -1.470 1 1 2095 . 8 1 1 A 185 185 VAL HA H 191 4.480 4.768 -0.288 1 1 2103 . 8 1 1 A 185 185 VAL C C 191 174.874 175.118 -0.244 1 1 2104 . 8 1 1 A 185 185 VAL CA C 191 59.753 59.587 0.166 1 1 2105 . 8 1 1 A 185 185 VAL CB C 191 33.035 34.270 -1.235 1 1 2108 . 8 1 1 A 185 185 VAL N N 191 113.276 117.923 -4.647 1 1 2109 . 8 1 1 A 186 186 ASP H H 192 8.827 8.624 0.203 1 1 2110 . 8 1 1 A 186 186 ASP HA H 192 4.779 4.870 -0.091 1 1 2113 . 8 1 1 A 186 186 ASP C C 192 174.919 175.290 -0.371 1 1 2114 . 8 1 1 A 186 186 ASP CA C 192 54.058 54.696 -0.638 1 1 2115 . 8 1 1 A 186 186 ASP CB C 192 41.635 41.686 -0.051 1 1 2116 . 8 1 1 A 186 186 ASP N N 192 118.111 123.288 -5.177 1 1 2117 . 8 1 1 A 187 187 LEU H H 193 8.375 8.453 -0.078 1 1 2118 . 8 1 1 A 187 187 LEU HA H 193 4.146 5.017 -0.871 1 1 2127 . 8 1 1 A 187 187 LEU CA C 193 52.331 53.594 -1.263 1 1 2128 . 8 1 1 A 187 187 LEU CB C 193 38.187 44.567 -6.380 1 1 2131 . 8 1 1 A 187 187 LEU N N 193 123.130 125.274 -2.144 1 1 2132 . 8 1 1 A 188 188 ALA H H 194 8.225 8.613 -0.388 1 1 2133 . 8 1 1 A 188 188 ALA HA H 194 4.098 4.596 -0.498 1 1 2137 . 8 1 1 A 188 188 ALA C C 194 176.239 177.211 -0.972 1 1 2138 . 8 1 1 A 188 188 ALA CA C 194 52.498 51.901 0.597 1 1 2139 . 8 1 1 A 188 188 ALA CB C 194 20.030 19.110 0.920 1 1 2140 . 8 1 1 A 188 188 ALA N N 194 126.289 128.582 -2.293 1 1 2141 . 8 1 1 A 189 189 ALA H H 195 8.275 8.381 -0.106 1 1 2142 . 8 1 1 A 189 189 ALA HA H 195 4.862 4.375 0.487 1 1 2146 . 8 1 1 A 189 189 ALA C C 195 178.131 177.827 0.304 1 1 2147 . 8 1 1 A 189 189 ALA CA C 195 51.822 53.273 -1.451 1 1 2148 . 8 1 1 A 189 189 ALA CB C 195 17.367 19.078 -1.711 1 1 2149 . 8 1 1 A 189 189 ALA N N 195 122.010 125.844 -3.834 1 1 2150 . 8 1 1 A 190 190 ALA H H 196 8.823 8.797 0.026 1 1 2151 . 8 1 1 A 190 190 ALA HA H 196 4.634 5.099 -0.465 1 1 2155 . 8 1 1 A 190 190 ALA C C 196 175.141 175.983 -0.842 1 1 2156 . 8 1 1 A 190 190 ALA CA C 196 50.420 50.364 0.056 1 1 2157 . 8 1 1 A 190 190 ALA CB C 196 23.461 22.903 0.558 1 1 2158 . 8 1 1 A 190 190 ALA N N 196 126.018 123.886 2.132 1 1 2159 . 8 1 1 A 191 191 ASP H H 197 8.365 8.574 -0.209 1 1 2160 . 8 1 1 A 191 191 ASP HA H 197 5.160 4.863 0.297 1 1 2163 . 8 1 1 A 191 191 ASP C C 197 176.028 176.035 -0.007 1 1 2164 . 8 1 1 A 191 191 ASP CA C 197 54.034 52.822 1.212 1 1 2165 . 8 1 1 A 191 191 ASP CB C 197 41.691 41.598 0.093 1 1 2166 . 8 1 1 A 191 191 ASP N N 197 118.646 121.716 -3.070 1 1 2167 . 8 1 1 A 192 192 ILE H H 198 7.915 8.333 -0.418 1 1 2168 . 8 1 1 A 192 192 ILE HA H 198 4.315 3.929 0.386 1 1 2178 . 8 1 1 A 192 192 ILE C C 198 174.684 175.390 -0.706 1 1 2179 . 8 1 1 A 192 192 ILE CA C 198 60.951 61.980 -1.029 1 1 2180 . 8 1 1 A 192 192 ILE CB C 198 41.989 37.993 3.996 1 1 2184 . 8 1 1 A 192 192 ILE N N 198 119.664 120.565 -0.901 1 1 2185 . 8 1 1 A 193 193 LYS H H 199 9.175 8.340 0.835 1 1 2186 . 8 1 1 A 193 193 LYS HA H 199 4.530 4.610 -0.080 1 1 2195 . 8 1 1 A 193 193 LYS C C 199 172.639 175.416 -2.777 1 1 2196 . 8 1 1 A 193 193 LYS CA C 199 53.361 53.589 -0.228 1 1 2197 . 8 1 1 A 193 193 LYS CB C 199 34.758 34.065 0.693 1 1 2201 . 8 1 1 A 193 193 LYS N N 199 127.122 128.452 -1.330 1 1 2202 . 8 1 1 A 195 195 ASP H H 201 8.390 8.652 -0.262 1 1 2203 . 8 1 1 A 195 195 ASP HA H 201 4.550 5.070 -0.520 1 1 2206 . 8 1 1 A 195 195 ASP C C 201 179.300 175.560 3.740 1 1 2207 . 8 1 1 A 195 195 ASP CA C 201 51.354 52.582 -1.228 1 1 2208 . 8 1 1 A 195 195 ASP CB C 201 40.324 43.759 -3.435 1 1 2209 . 8 1 1 A 195 195 ASP N N 201 123.239 122.809 0.430 1 1 2210 . 8 1 1 A 196 196 GLY HA2 H 202 3.718 4.048 -0.330 1 1 2211 . 8 1 1 A 196 196 GLY HA3 H 202 3.437 4.077 -0.640 1 1 2212 . 8 1 1 A 196 196 GLY CA C 202 46.527 44.524 2.003 1 1 2213 . 8 1 1 A 197 197 LYS H H 203 7.740 8.073 -0.333 1 1 2214 . 8 1 1 A 197 197 LYS HA H 203 4.118 4.460 -0.342 1 1 2221 . 8 1 1 A 197 197 LYS C C 203 174.941 176.846 -1.905 1 1 2222 . 8 1 1 A 197 197 LYS CA C 203 55.054 56.536 -1.482 1 1 2223 . 8 1 1 A 197 197 LYS CB C 203 31.192 34.118 -2.926 1 1 2226 . 8 1 1 A 197 197 LYS N N 203 120.305 118.406 1.899 1 1 2227 . 8 1 1 A 198 198 ARG H H 204 8.059 7.477 0.582 1 1 2228 . 8 1 1 A 198 198 ARG HA H 204 3.441 4.481 -1.040 1 1 2235 . 8 1 1 A 198 198 ARG C C 204 175.152 174.951 0.201 1 1 2236 . 8 1 1 A 198 198 ARG CA C 204 56.911 55.470 1.441 1 1 2237 . 8 1 1 A 198 198 ARG CB C 204 26.584 31.347 -4.763 1 1 2240 . 8 1 1 A 198 198 ARG N N 204 111.796 115.172 -3.376 1 1 2241 . 8 1 1 A 199 199 HIS H H 205 8.531 7.385 1.146 1 1 2242 . 8 1 1 A 199 199 HIS HA H 205 4.812 5.070 -0.258 1 1 2247 . 8 1 1 A 199 199 HIS C C 205 174.866 172.475 2.391 1 1 2248 . 8 1 1 A 199 199 HIS CA C 205 53.700 53.989 -0.289 1 1 2249 . 8 1 1 A 199 199 HIS CB C 205 27.838 31.940 -4.102 1 1 2250 . 8 1 1 A 199 199 HIS N N 205 120.255 115.328 4.927 1 1 2251 . 8 1 1 A 200 200 ALA H H 206 8.492 8.626 -0.134 1 1 2252 . 8 1 1 A 200 200 ALA HA H 206 4.615 4.809 -0.194 1 1 2256 . 8 1 1 A 200 200 ALA C C 206 175.840 174.960 0.880 1 1 2257 . 8 1 1 A 200 200 ALA CA C 206 52.247 50.712 1.535 1 1 2258 . 8 1 1 A 200 200 ALA CB C 206 19.838 23.031 -3.193 1 1 2259 . 8 1 1 A 200 200 ALA N N 206 123.237 120.775 2.462 1 1 2260 . 8 1 1 A 201 201 VAL H H 207 9.174 8.161 1.013 1 1 2261 . 8 1 1 A 201 201 VAL HA H 207 4.976 4.597 0.379 1 1 2269 . 8 1 1 A 201 201 VAL C C 207 173.390 174.946 -1.556 1 1 2270 . 8 1 1 A 201 201 VAL CA C 207 60.775 60.314 0.461 1 1 2271 . 8 1 1 A 201 201 VAL CB C 207 35.488 35.907 -0.419 1 1 2274 . 8 1 1 A 201 201 VAL N N 207 123.250 116.497 6.753 1 1 2275 . 8 1 1 A 202 202 ILE H H 208 8.887 8.247 0.640 1 1 2276 . 8 1 1 A 202 202 ILE HA H 208 4.312 4.836 -0.524 1 1 2286 . 8 1 1 A 202 202 ILE C C 208 174.670 174.568 0.102 1 1 2287 . 8 1 1 A 202 202 ILE CA C 208 60.815 59.466 1.349 1 1 2288 . 8 1 1 A 202 202 ILE CB C 208 41.576 40.259 1.317 1 1 2292 . 8 1 1 A 202 202 ILE N N 208 122.699 126.145 -3.446 1 1 2293 . 8 1 1 A 203 203 SER H H 209 8.416 8.577 -0.161 1 1 2294 . 8 1 1 A 203 203 SER HA H 209 4.913 4.927 -0.014 1 1 2297 . 8 1 1 A 203 203 SER C C 209 172.984 172.634 0.350 1 1 2298 . 8 1 1 A 203 203 SER CA C 209 55.676 56.867 -1.191 1 1 2299 . 8 1 1 A 203 203 SER CB C 209 64.355 65.775 -1.420 1 1 2300 . 8 1 1 A 203 203 SER N N 209 122.067 120.431 1.636 1 1 2301 . 8 1 1 A 204 204 GLY H H 210 7.292 7.474 -0.182 1 1 2302 . 8 1 1 A 204 204 GLY HA2 H 210 4.432 4.222 0.210 1 1 2303 . 8 1 1 A 204 204 GLY HA3 H 210 3.352 4.321 -0.969 1 1 2304 . 8 1 1 A 204 204 GLY C C 210 172.482 172.367 0.115 1 1 2305 . 8 1 1 A 204 204 GLY CA C 210 45.167 45.613 -0.446 1 1 2306 . 8 1 1 A 204 204 GLY N N 210 110.488 110.315 0.173 1 1 2307 . 8 1 1 A 205 205 SER H H 211 8.652 8.901 -0.249 1 1 2308 . 8 1 1 A 205 205 SER HA H 211 5.027 5.582 -0.555 1 1 2311 . 8 1 1 A 205 205 SER C C 211 172.852 173.295 -0.443 1 1 2312 . 8 1 1 A 205 205 SER CA C 211 58.806 57.442 1.364 1 1 2313 . 8 1 1 A 205 205 SER CB C 211 64.384 66.623 -2.239 1 1 2314 . 8 1 1 A 205 205 SER N N 211 116.497 117.218 -0.721 1 1 2315 . 8 1 1 A 206 206 VAL H H 212 7.400 8.559 -1.159 1 1 2316 . 8 1 1 A 206 206 VAL HA H 212 5.032 4.634 0.398 1 1 2324 . 8 1 1 A 206 206 VAL C C 212 174.500 175.229 -0.729 1 1 2325 . 8 1 1 A 206 206 VAL CA C 212 58.764 61.268 -2.504 1 1 2326 . 8 1 1 A 206 206 VAL CB C 212 30.512 35.221 -4.709 1 1 2329 . 8 1 1 A 206 206 VAL N N 212 117.101 122.210 -5.109 1 1 2330 . 8 1 1 A 207 207 LEU H H 213 8.961 8.754 0.207 1 1 2331 . 8 1 1 A 207 207 LEU HA H 213 5.312 4.626 0.686 1 1 2341 . 8 1 1 A 207 207 LEU C C 213 175.520 175.740 -0.220 1 1 2342 . 8 1 1 A 207 207 LEU CA C 213 52.630 54.463 -1.833 1 1 2343 . 8 1 1 A 207 207 LEU CB C 213 45.567 42.346 3.221 1 1 2347 . 8 1 1 A 207 207 LEU N N 213 124.185 127.576 -3.391 1 1 2348 . 8 1 1 A 208 208 TYR H H 214 8.836 9.011 -0.175 1 1 2349 . 8 1 1 A 208 208 TYR HA H 214 4.766 4.869 -0.103 1 1 2356 . 8 1 1 A 208 208 TYR C C 214 175.964 174.625 1.339 1 1 2357 . 8 1 1 A 208 208 TYR CA C 214 56.943 57.817 -0.874 1 1 2358 . 8 1 1 A 208 208 TYR CB C 214 41.736 41.663 0.073 1 1 2359 . 8 1 1 A 208 208 TYR N N 214 120.202 120.447 -0.245 1 1 2360 . 8 1 1 A 209 209 ASN H H 215 9.292 9.257 0.035 1 1 2361 . 8 1 1 A 209 209 ASN HA H 215 4.001 4.371 -0.370 1 1 2366 . 8 1 1 A 209 209 ASN C C 215 174.336 174.290 0.046 1 1 2367 . 8 1 1 A 209 209 ASN CA C 215 53.923 54.097 -0.174 1 1 2368 . 8 1 1 A 209 209 ASN CB C 215 36.468 37.099 -0.631 1 1 2369 . 8 1 1 A 209 209 ASN N N 215 129.805 125.996 3.809 1 1 2371 . 8 1 1 A 210 210 GLN H H 216 8.614 8.444 0.170 1 1 2372 . 8 1 1 A 210 210 GLN HA H 216 3.453 3.826 -0.373 1 1 2379 . 8 1 1 A 210 210 GLN C C 216 173.521 174.681 -1.160 1 1 2380 . 8 1 1 A 210 210 GLN CA C 216 57.881 57.120 0.761 1 1 2381 . 8 1 1 A 210 210 GLN CB C 216 26.089 26.306 -0.217 1 1 2383 . 8 1 1 A 210 210 GLN N N 216 106.396 109.953 -3.557 1 1 2385 . 8 1 1 A 211 211 ALA H H 217 7.657 7.516 0.141 1 1 2386 . 8 1 1 A 211 211 ALA HA H 217 4.608 4.536 0.072 1 1 2390 . 8 1 1 A 211 211 ALA C C 217 176.432 176.544 -0.112 1 1 2391 . 8 1 1 A 211 211 ALA CA C 217 50.786 50.956 -0.170 1 1 2392 . 8 1 1 A 211 211 ALA CB C 217 20.499 20.823 -0.324 1 1 2393 . 8 1 1 A 211 211 ALA N N 217 123.338 118.559 4.779 1 1 2394 . 8 1 1 A 212 212 GLU H H 218 8.712 8.722 -0.010 1 1 2395 . 8 1 1 A 212 212 GLU HA H 218 4.525 4.388 0.137 1 1 2400 . 8 1 1 A 212 212 GLU C C 218 177.924 175.917 2.007 1 1 2401 . 8 1 1 A 212 212 GLU CA C 218 57.550 57.878 -0.328 1 1 2402 . 8 1 1 A 212 212 GLU CB C 218 28.811 29.300 -0.489 1 1 2404 . 8 1 1 A 212 212 GLU N N 218 122.631 116.920 5.711 1 1 2405 . 8 1 1 A 213 213 LYS H H 219 8.835 8.434 0.401 1 1 2406 . 8 1 1 A 213 213 LYS HA H 219 4.612 4.707 -0.095 1 1 2415 . 8 1 1 A 213 213 LYS C C 219 173.786 177.049 -3.263 1 1 2416 . 8 1 1 A 213 213 LYS CA C 219 53.115 55.288 -2.173 1 1 2417 . 8 1 1 A 213 213 LYS CB C 219 34.180 32.395 1.785 1 1 2421 . 8 1 1 A 213 213 LYS N N 219 126.870 119.161 7.709 1 1 2422 . 8 1 1 A 214 214 GLY H H 220 7.929 8.444 -0.515 1 1 2423 . 8 1 1 A 214 214 GLY HA2 H 220 5.469 4.069 1.400 1 1 2424 . 8 1 1 A 214 214 GLY HA3 H 220 3.719 4.092 -0.373 1 1 2425 . 8 1 1 A 214 214 GLY C C 220 173.926 172.716 1.210 1 1 2426 . 8 1 1 A 214 214 GLY CA C 220 44.536 44.585 -0.049 1 1 2427 . 8 1 1 A 214 214 GLY N N 220 107.019 109.726 -2.707 1 1 2428 . 8 1 1 A 215 215 SER H H 221 8.678 8.654 0.024 1 1 2429 . 8 1 1 A 215 215 SER HA H 221 5.460 5.495 -0.035 1 1 2432 . 8 1 1 A 215 215 SER C C 221 171.043 173.143 -2.100 1 1 2433 . 8 1 1 A 215 215 SER CA C 221 56.810 57.177 -0.367 1 1 2434 . 8 1 1 A 215 215 SER CB C 221 66.671 66.530 0.141 1 1 2435 . 8 1 1 A 215 215 SER N N 221 117.334 113.471 3.863 1 1 2436 . 8 1 1 A 216 216 TYR H H 222 8.958 9.185 -0.227 1 1 2437 . 8 1 1 A 216 216 TYR HA H 222 5.389 5.646 -0.257 1 1 2445 . 8 1 1 A 216 216 TYR C C 222 172.789 173.719 -0.930 1 1 2446 . 8 1 1 A 216 216 TYR CA C 222 55.819 55.684 0.135 1 1 2447 . 8 1 1 A 216 216 TYR CB C 222 41.681 42.552 -0.871 1 1 2448 . 8 1 1 A 216 216 TYR N N 222 117.645 119.015 -1.370 1 1 2449 . 8 1 1 A 217 217 SER H H 223 8.837 8.901 -0.064 1 1 2450 . 8 1 1 A 217 217 SER HA H 223 5.165 4.957 0.208 1 1 2453 . 8 1 1 A 217 217 SER C C 223 173.125 172.841 0.284 1 1 2454 . 8 1 1 A 217 217 SER CA C 223 56.600 57.429 -0.829 1 1 2455 . 8 1 1 A 217 217 SER CB C 223 64.500 65.847 -1.347 1 1 2456 . 8 1 1 A 217 217 SER N N 223 115.593 115.996 -0.403 1 1 2457 . 8 1 1 A 218 218 LEU H H 224 9.299 8.638 0.661 1 1 2458 . 8 1 1 A 218 218 LEU HA H 224 4.748 4.911 -0.163 1 1 2468 . 8 1 1 A 218 218 LEU C C 224 175.567 174.797 0.770 1 1 2469 . 8 1 1 A 218 218 LEU CA C 224 53.138 53.606 -0.468 1 1 2470 . 8 1 1 A 218 218 LEU CB C 224 46.255 45.086 1.169 1 1 2474 . 8 1 1 A 218 218 LEU N N 224 123.523 121.660 1.863 1 1 2475 . 8 1 1 A 219 219 GLY H H 225 9.041 8.361 0.680 1 1 2476 . 8 1 1 A 219 219 GLY HA2 H 225 4.620 4.147 0.473 1 1 2477 . 8 1 1 A 219 219 GLY HA3 H 225 3.413 4.214 -0.801 1 1 2478 . 8 1 1 A 219 219 GLY C C 225 171.514 171.971 -0.457 1 1 2479 . 8 1 1 A 219 219 GLY CA C 225 43.777 43.887 -0.110 1 1 2480 . 8 1 1 A 219 219 GLY N N 225 108.999 106.063 2.936 1 1 2481 . 8 1 1 A 220 220 ILE H H 226 6.853 8.520 -1.667 1 1 2482 . 8 1 1 A 220 220 ILE HA H 226 4.615 4.534 0.081 1 1 2492 . 8 1 1 A 220 220 ILE C C 226 174.750 175.635 -0.885 1 1 2493 . 8 1 1 A 220 220 ILE CA C 226 60.421 61.001 -0.580 1 1 2494 . 8 1 1 A 220 220 ILE CB C 226 38.213 38.344 -0.131 1 1 2498 . 8 1 1 A 220 220 ILE N N 226 120.223 121.436 -1.213 1 1 2499 . 8 1 1 A 221 221 PHE H H 227 9.392 9.047 0.345 1 1 2500 . 8 1 1 A 221 221 PHE HA H 227 4.770 5.147 -0.377 1 1 2507 . 8 1 1 A 221 221 PHE C C 227 175.093 175.617 -0.524 1 1 2508 . 8 1 1 A 221 221 PHE CA C 227 58.053 56.547 1.506 1 1 2509 . 8 1 1 A 221 221 PHE CB C 227 42.505 42.276 0.229 1 1 2510 . 8 1 1 A 221 221 PHE N N 227 128.229 124.871 3.358 1 1 2511 . 8 1 1 A 222 222 GLY H H 228 8.675 8.687 -0.012 1 1 2512 . 8 1 1 A 222 222 GLY HA2 H 228 3.174 4.037 -0.863 1 1 2513 . 8 1 1 A 222 222 GLY HA3 H 228 4.311 4.076 0.235 1 1 2514 . 8 1 1 A 222 222 GLY CA C 228 42.438 44.422 -1.984 1 1 2515 . 8 1 1 A 222 222 GLY N N 228 104.634 110.952 -6.318 1 1 2516 . 8 1 1 A 223 223 GLY CA C 229 46.870 45.558 1.312 1 1 2517 . 8 1 1 A 224 224 LYS H H 230 8.366 7.802 0.564 1 1 2518 . 8 1 1 A 224 224 LYS HA H 230 4.305 4.618 -0.313 1 1 2523 . 8 1 1 A 224 224 LYS C C 230 174.717 175.758 -1.041 1 1 2524 . 8 1 1 A 224 224 LYS CA C 230 54.119 57.467 -3.348 1 1 2525 . 8 1 1 A 224 224 LYS CB C 230 30.821 33.767 -2.946 1 1 2527 . 8 1 1 A 224 224 LYS N N 230 118.720 119.493 -0.773 1 1 2528 . 8 1 1 A 225 225 ALA H H 231 7.633 7.992 -0.359 1 1 2529 . 8 1 1 A 225 225 ALA HA H 231 3.810 4.824 -1.014 1 1 2533 . 8 1 1 A 225 225 ALA C C 231 176.702 178.024 -1.322 1 1 2534 . 8 1 1 A 225 225 ALA CA C 231 51.868 51.383 0.485 1 1 2535 . 8 1 1 A 225 225 ALA CB C 231 16.117 19.528 -3.411 1 1 2536 . 8 1 1 A 225 225 ALA N N 231 118.077 120.732 -2.655 1 1 2537 . 8 1 1 A 226 226 GLN H H 232 9.387 8.310 1.077 1 1 2538 . 8 1 1 A 226 226 GLN HA H 232 3.877 4.339 -0.462 1 1 2543 . 8 1 1 A 226 226 GLN C C 232 175.992 175.911 0.081 1 1 2544 . 8 1 1 A 226 226 GLN CA C 232 60.989 57.799 3.190 1 1 2545 . 8 1 1 A 226 226 GLN CB C 232 28.695 29.814 -1.119 1 1 2547 . 8 1 1 A 226 226 GLN N N 232 117.991 118.977 -0.986 1 1 2548 . 8 1 1 A 227 227 GLU H H 233 8.825 7.897 0.928 1 1 2549 . 8 1 1 A 227 227 GLU HA H 233 5.411 4.906 0.505 1 1 2554 . 8 1 1 A 227 227 GLU C C 233 174.939 173.861 1.078 1 1 2555 . 8 1 1 A 227 227 GLU CA C 233 54.289 55.539 -1.250 1 1 2556 . 8 1 1 A 227 227 GLU CB C 233 33.797 32.819 0.978 1 1 2558 . 8 1 1 A 227 227 GLU N N 233 116.638 114.753 1.885 1 1 2559 . 8 1 1 A 228 228 VAL H H 234 8.343 8.850 -0.507 1 1 2560 . 8 1 1 A 228 228 VAL HA H 234 5.544 5.194 0.350 1 1 2568 . 8 1 1 A 228 228 VAL C C 234 174.839 174.565 0.274 1 1 2569 . 8 1 1 A 228 228 VAL CA C 234 57.867 60.103 -2.236 1 1 2570 . 8 1 1 A 228 228 VAL CB C 234 35.379 35.335 0.044 1 1 2573 . 8 1 1 A 228 228 VAL N N 234 109.304 116.983 -7.679 1 1 2574 . 8 1 1 A 229 229 ALA H H 235 8.475 8.822 -0.347 1 1 2575 . 8 1 1 A 229 229 ALA HA H 235 4.937 5.160 -0.223 1 1 2579 . 8 1 1 A 229 229 ALA C C 235 176.417 176.034 0.383 1 1 2580 . 8 1 1 A 229 229 ALA CA C 235 51.303 51.215 0.088 1 1 2581 . 8 1 1 A 229 229 ALA CB C 235 20.301 23.213 -2.912 1 1 2582 . 8 1 1 A 229 229 ALA N N 235 120.653 124.113 -3.460 1 1 2583 . 8 1 1 A 230 230 GLY H H 236 9.361 8.339 1.022 1 1 2584 . 8 1 1 A 230 230 GLY HA2 H 236 5.075 4.314 0.761 1 1 2585 . 8 1 1 A 230 230 GLY HA3 H 236 4.017 4.325 -0.308 1 1 2586 . 8 1 1 A 230 230 GLY C C 236 170.130 172.037 -1.907 1 1 2587 . 8 1 1 A 230 230 GLY CA C 236 46.221 46.066 0.155 1 1 2588 . 8 1 1 A 230 230 GLY N N 236 111.104 106.287 4.817 1 1 2589 . 8 1 1 A 231 231 SER H H 237 8.889 8.764 0.125 1 1 2590 . 8 1 1 A 231 231 SER HA H 237 5.276 5.446 -0.170 1 1 2593 . 8 1 1 A 231 231 SER C C 237 171.360 173.147 -1.787 1 1 2594 . 8 1 1 A 231 231 SER CA C 237 56.498 57.230 -0.732 1 1 2595 . 8 1 1 A 231 231 SER CB C 237 66.398 66.606 -0.208 1 1 2596 . 8 1 1 A 231 231 SER N N 237 115.308 115.941 -0.633 1 1 2597 . 8 1 1 A 232 232 ALA H H 238 9.083 8.704 0.379 1 1 2598 . 8 1 1 A 232 232 ALA HA H 238 5.148 5.378 -0.230 1 1 2602 . 8 1 1 A 232 232 ALA C C 238 174.537 175.855 -1.318 1 1 2603 . 8 1 1 A 232 232 ALA CA C 238 49.904 51.054 -1.150 1 1 2604 . 8 1 1 A 232 232 ALA CB C 238 21.729 23.254 -1.525 1 1 2605 . 8 1 1 A 232 232 ALA N N 238 119.911 123.117 -3.206 1 1 2606 . 8 1 1 A 233 233 GLU H H 239 9.015 9.181 -0.166 1 1 2607 . 8 1 1 A 233 233 GLU HA H 239 4.631 5.022 -0.391 1 1 2612 . 8 1 1 A 233 233 GLU C C 239 174.122 174.226 -0.104 1 1 2613 . 8 1 1 A 233 233 GLU CA C 239 54.786 54.611 0.175 1 1 2614 . 8 1 1 A 233 233 GLU CB C 239 31.355 33.191 -1.836 1 1 2616 . 8 1 1 A 233 233 GLU N N 239 122.744 118.423 4.321 1 1 2617 . 8 1 1 A 234 234 VAL H H 240 8.792 9.096 -0.304 1 1 2618 . 8 1 1 A 234 234 VAL HA H 240 4.394 4.747 -0.353 1 1 2623 . 8 1 1 A 234 234 VAL C C 240 174.833 174.735 0.098 1 1 2624 . 8 1 1 A 234 234 VAL CA C 240 61.427 59.856 1.571 1 1 2625 . 8 1 1 A 234 234 VAL CB C 240 33.863 34.159 -0.296 1 1 2627 . 8 1 1 A 234 234 VAL N N 240 124.203 120.949 3.254 1 1 2628 . 8 1 1 A 235 235 LYS H H 241 8.841 8.346 0.495 1 1 2629 . 8 1 1 A 235 235 LYS HA H 241 3.981 4.533 -0.552 1 1 2638 . 8 1 1 A 235 235 LYS C C 241 174.548 175.089 -0.541 1 1 2639 . 8 1 1 A 235 235 LYS CA C 241 55.955 55.522 0.433 1 1 2640 . 8 1 1 A 235 235 LYS CB C 241 32.100 32.924 -0.824 1 1 2644 . 8 1 1 A 235 235 LYS N N 241 127.554 126.577 0.977 1 1 2645 . 8 1 1 A 236 236 THR H H 242 7.212 8.566 -1.354 1 1 2646 . 8 1 1 A 236 236 THR HA H 242 4.355 4.788 -0.433 1 1 2651 . 8 1 1 A 236 236 THR C C 242 176.482 175.909 0.573 1 1 2652 . 8 1 1 A 236 236 THR CA C 242 61.054 59.417 1.637 1 1 2653 . 8 1 1 A 236 236 THR CB C 242 72.642 71.496 1.146 1 1 2655 . 8 1 1 A 236 236 THR N N 242 114.463 119.565 -5.102 1 1 2656 . 8 1 1 A 237 237 VAL H H 243 9.582 8.772 0.810 1 1 2657 . 8 1 1 A 237 237 VAL HA H 243 3.849 3.818 0.031 1 1 2665 . 8 1 1 A 237 237 VAL C C 243 176.201 176.858 -0.657 1 1 2666 . 8 1 1 A 237 237 VAL CA C 243 64.701 65.576 -0.875 1 1 2667 . 8 1 1 A 237 237 VAL CB C 243 31.028 31.521 -0.493 1 1 2669 . 8 1 1 A 237 237 VAL N N 243 120.670 124.007 -3.337 1 1 2670 . 8 1 1 A 238 238 ASN H H 244 7.572 7.959 -0.387 1 1 2671 . 8 1 1 A 238 238 ASN HA H 244 4.882 4.808 0.074 1 1 2676 . 8 1 1 A 238 238 ASN C C 244 173.835 175.468 -1.633 1 1 2677 . 8 1 1 A 238 238 ASN CA C 244 52.022 53.109 -1.087 1 1 2678 . 8 1 1 A 238 238 ASN CB C 244 39.176 38.674 0.502 1 1 2679 . 8 1 1 A 238 238 ASN N N 244 115.638 118.010 -2.372 1 1 2681 . 8 1 1 A 239 239 GLY H H 245 7.362 7.820 -0.458 1 1 2682 . 8 1 1 A 239 239 GLY HA2 H 245 4.539 4.084 0.455 1 1 2683 . 8 1 1 A 239 239 GLY HA3 H 245 3.728 4.093 -0.365 1 1 2684 . 8 1 1 A 239 239 GLY C C 245 174.343 173.150 1.193 1 1 2685 . 8 1 1 A 239 239 GLY CA C 245 43.316 44.763 -1.447 1 1 2686 . 8 1 1 A 239 239 GLY N N 245 107.650 106.393 1.257 1 1 2687 . 8 1 1 A 240 240 ILE H H 246 8.672 8.258 0.414 1 1 2688 . 8 1 1 A 240 240 ILE HA H 246 4.351 4.727 -0.376 1 1 2698 . 8 1 1 A 240 240 ILE C C 246 176.899 174.458 2.441 1 1 2699 . 8 1 1 A 240 240 ILE CA C 246 61.120 60.138 0.982 1 1 2700 . 8 1 1 A 240 240 ILE CB C 246 36.906 39.337 -2.431 1 1 2704 . 8 1 1 A 240 240 ILE N N 246 122.673 121.590 1.083 1 1 2705 . 8 1 1 A 241 241 ARG H H 247 9.233 8.904 0.329 1 1 2706 . 8 1 1 A 241 241 ARG HA H 247 4.370 4.820 -0.450 1 1 2713 . 8 1 1 A 241 241 ARG C C 247 173.925 174.891 -0.966 1 1 2714 . 8 1 1 A 241 241 ARG CA C 247 53.461 54.528 -1.067 1 1 2715 . 8 1 1 A 241 241 ARG CB C 247 31.910 33.356 -1.446 1 1 2718 . 8 1 1 A 241 241 ARG N N 247 128.497 128.266 0.231 1 1 2719 . 8 1 1 A 242 242 HIS H H 248 8.519 9.117 -0.598 1 1 2720 . 8 1 1 A 242 242 HIS HA H 248 5.323 5.215 0.108 1 1 2725 . 8 1 1 A 242 242 HIS C C 248 174.635 175.006 -0.371 1 1 2726 . 8 1 1 A 242 242 HIS CA C 248 55.759 55.259 0.500 1 1 2727 . 8 1 1 A 242 242 HIS CB C 248 32.921 32.674 0.247 1 1 2728 . 8 1 1 A 242 242 HIS N N 248 121.131 120.801 0.330 1 1 2729 . 8 1 1 A 243 243 ILE H H 249 8.723 9.245 -0.522 1 1 2730 . 8 1 1 A 243 243 ILE HA H 249 4.522 4.744 -0.222 1 1 2740 . 8 1 1 A 243 243 ILE C C 249 176.188 175.421 0.767 1 1 2741 . 8 1 1 A 243 243 ILE CA C 249 58.524 59.861 -1.337 1 1 2742 . 8 1 1 A 243 243 ILE CB C 249 41.977 42.298 -0.321 1 1 2746 . 8 1 1 A 243 243 ILE N N 249 119.438 120.990 -1.552 1 1 2747 . 8 1 1 A 244 244 GLY H H 250 9.351 8.697 0.654 1 1 2748 . 8 1 1 A 244 244 GLY HA2 H 250 3.707 3.127 0.580 1 1 2749 . 8 1 1 A 244 244 GLY HA3 H 250 2.119 3.905 -1.786 1 1 2750 . 8 1 1 A 244 244 GLY C C 250 170.981 172.229 -1.248 1 1 2751 . 8 1 1 A 244 244 GLY CA C 250 44.178 44.156 0.022 1 1 2752 . 8 1 1 A 244 244 GLY N N 250 113.700 114.569 -0.869 1 1 2753 . 8 1 1 A 245 245 LEU H H 251 7.833 8.268 -0.435 1 1 2754 . 8 1 1 A 245 245 LEU HA H 251 4.717 5.102 -0.385 1 1 2764 . 8 1 1 A 245 245 LEU C C 251 174.501 176.123 -1.622 1 1 2765 . 8 1 1 A 245 245 LEU CA C 251 52.508 53.648 -1.140 1 1 2766 . 8 1 1 A 245 245 LEU CB C 251 46.764 44.485 2.279 1 1 2770 . 8 1 1 A 245 245 LEU N N 251 120.798 124.344 -3.546 1 1 2771 . 8 1 1 A 246 246 ALA H H 252 7.906 8.646 -0.740 1 1 2772 . 8 1 1 A 246 246 ALA HA H 252 4.589 4.855 -0.266 1 1 2776 . 8 1 1 A 246 246 ALA C C 252 173.363 175.608 -2.245 1 1 2777 . 8 1 1 A 246 246 ALA CA C 252 51.546 51.753 -0.207 1 1 2778 . 8 1 1 A 246 246 ALA CB C 252 21.524 19.896 1.628 1 1 2779 . 8 1 1 A 246 246 ALA N N 252 122.885 123.750 -0.865 1 1 2780 . 8 1 1 A 247 247 ALA H H 253 9.041 8.398 0.643 1 1 2781 . 8 1 1 A 247 247 ALA HA H 253 4.726 5.301 -0.575 1 1 2785 . 8 1 1 A 247 247 ALA C C 253 174.897 175.306 -0.409 1 1 2786 . 8 1 1 A 247 247 ALA CA C 253 51.723 51.398 0.325 1 1 2787 . 8 1 1 A 247 247 ALA CB C 253 22.967 23.152 -0.185 1 1 2788 . 8 1 1 A 247 247 ALA N N 253 122.967 125.383 -2.416 1 1 2789 . 8 1 1 A 248 248 LYS H H 254 8.171 8.900 -0.729 1 1 2790 . 8 1 1 A 248 248 LYS HA H 254 5.731 5.233 0.498 1 1 2797 . 8 1 1 A 248 248 LYS C C 254 175.094 174.949 0.145 1 1 2798 . 8 1 1 A 248 248 LYS CA C 254 53.866 54.302 -0.436 1 1 2799 . 8 1 1 A 248 248 LYS CB C 254 36.312 36.140 0.172 1 1 2802 . 8 1 1 A 248 248 LYS N N 254 115.734 122.368 -6.634 1 1 60 . 9 1 1 A 9 9 GLY H H 15 8.346 8.254 0.092 1 1 61 . 9 1 1 A 9 9 GLY HA2 H 15 4.021 3.883 0.138 1 1 62 . 9 1 1 A 9 9 GLY HA3 H 15 3.772 3.888 -0.116 1 1 63 . 9 1 1 A 9 9 GLY C C 15 174.259 175.648 -1.389 1 1 64 . 9 1 1 A 9 9 GLY CA C 15 45.581 46.335 -0.754 1 1 65 . 9 1 1 A 9 9 GLY N N 15 107.368 106.554 0.814 1 1 66 . 9 1 1 A 10 10 LEU H H 16 7.224 7.941 -0.717 1 1 67 . 9 1 1 A 10 10 LEU HA H 16 3.736 4.064 -0.328 1 1 77 . 9 1 1 A 10 10 LEU C C 16 178.202 178.646 -0.444 1 1 78 . 9 1 1 A 10 10 LEU CA C 16 57.915 58.030 -0.115 1 1 79 . 9 1 1 A 10 10 LEU CB C 16 40.686 41.290 -0.604 1 1 83 . 9 1 1 A 10 10 LEU N N 16 117.616 118.318 -0.702 1 1 84 . 9 1 1 A 11 11 ALA H H 17 7.860 8.273 -0.413 1 1 85 . 9 1 1 A 11 11 ALA HA H 17 3.937 3.993 -0.056 1 1 89 . 9 1 1 A 11 11 ALA C C 17 181.090 179.275 1.815 1 1 90 . 9 1 1 A 11 11 ALA CA C 17 54.860 55.600 -0.740 1 1 91 . 9 1 1 A 11 11 ALA CB C 17 17.248 18.299 -1.051 1 1 92 . 9 1 1 A 11 11 ALA N N 17 117.757 122.955 -5.198 1 1 93 . 9 1 1 A 12 12 ASP H H 18 8.017 8.068 -0.051 1 1 94 . 9 1 1 A 12 12 ASP HA H 18 4.223 4.462 -0.239 1 1 97 . 9 1 1 A 12 12 ASP C C 18 177.941 178.293 -0.352 1 1 98 . 9 1 1 A 12 12 ASP CA C 18 56.341 56.998 -0.657 1 1 99 . 9 1 1 A 12 12 ASP CB C 18 39.312 40.983 -1.671 1 1 100 . 9 1 1 A 12 12 ASP N N 18 118.410 118.223 0.187 1 1 101 . 9 1 1 A 13 13 ALA H H 19 8.205 7.834 0.371 1 1 102 . 9 1 1 A 13 13 ALA HA H 19 3.952 4.105 -0.153 1 1 106 . 9 1 1 A 13 13 ALA C C 19 178.856 178.741 0.115 1 1 107 . 9 1 1 A 13 13 ALA CA C 19 55.039 54.169 0.870 1 1 108 . 9 1 1 A 13 13 ALA CB C 19 17.779 18.352 -0.573 1 1 109 . 9 1 1 A 13 13 ALA N N 19 121.480 121.380 0.100 1 1 110 . 9 1 1 A 14 14 LEU H H 20 7.217 7.688 -0.471 1 1 111 . 9 1 1 A 14 14 LEU HA H 20 4.258 4.226 0.032 1 1 121 . 9 1 1 A 14 14 LEU C C 20 177.544 178.717 -1.173 1 1 122 . 9 1 1 A 14 14 LEU CA C 20 55.511 56.888 -1.377 1 1 123 . 9 1 1 A 14 14 LEU CB C 20 42.176 42.227 -0.051 1 1 126 . 9 1 1 A 14 14 LEU N N 20 113.410 117.506 -4.096 1 1 127 . 9 1 1 A 15 15 THR H H 21 7.624 7.401 0.223 1 1 128 . 9 1 1 A 15 15 THR HA H 21 4.394 4.425 -0.031 1 1 133 . 9 1 1 A 15 15 THR C C 21 174.959 175.017 -0.058 1 1 134 . 9 1 1 A 15 15 THR CA C 21 61.733 62.764 -1.031 1 1 135 . 9 1 1 A 15 15 THR CB C 21 71.514 69.366 2.148 1 1 137 . 9 1 1 A 15 15 THR N N 21 106.072 109.056 -2.984 1 1 138 . 9 1 1 A 16 16 ALA H H 22 8.932 7.931 1.001 1 1 139 . 9 1 1 A 16 16 ALA HA H 22 4.624 4.780 -0.156 1 1 143 . 9 1 1 A 16 16 ALA C C 22 175.978 174.101 1.877 1 1 144 . 9 1 1 A 16 16 ALA CA C 22 50.681 49.838 0.843 1 1 145 . 9 1 1 A 16 16 ALA CB C 22 18.728 19.063 -0.335 1 1 146 . 9 1 1 A 16 16 ALA N N 22 127.789 123.197 4.592 1 1 147 . 9 1 1 A 17 17 PRO HA H 23 4.430 4.633 -0.203 1 1 154 . 9 1 1 A 17 17 PRO CA C 23 61.497 62.399 -0.902 1 1 155 . 9 1 1 A 17 17 PRO CB C 23 31.775 33.131 -1.356 1 1 158 . 9 1 1 A 18 18 LEU H H 24 8.154 8.361 -0.207 1 1 159 . 9 1 1 A 18 18 LEU HA H 24 3.894 4.057 -0.163 1 1 169 . 9 1 1 A 18 18 LEU C C 24 176.447 176.266 0.181 1 1 170 . 9 1 1 A 18 18 LEU CA C 24 55.510 57.286 -1.776 1 1 171 . 9 1 1 A 18 18 LEU CB C 24 40.921 41.832 -0.911 1 1 175 . 9 1 1 A 18 18 LEU N N 24 121.010 118.988 2.022 1 1 176 . 9 1 1 A 19 19 ASP H H 25 8.758 7.506 1.252 1 1 177 . 9 1 1 A 19 19 ASP HA H 25 4.626 4.923 -0.297 1 1 180 . 9 1 1 A 19 19 ASP C C 25 176.425 174.176 2.249 1 1 181 . 9 1 1 A 19 19 ASP CA C 25 52.688 53.465 -0.777 1 1 182 . 9 1 1 A 19 19 ASP CB C 25 42.819 44.026 -1.207 1 1 183 . 9 1 1 A 19 19 ASP N N 25 124.654 117.786 6.868 1 1 184 . 9 1 1 A 20 20 HIS HA H 26 4.272 4.966 -0.694 1 1 189 . 9 1 1 A 20 20 HIS CA C 26 58.100 55.693 2.407 1 1 190 . 9 1 1 A 20 20 HIS CB C 26 29.200 31.282 -2.082 1 1 191 . 9 1 1 A 21 21 LYS H H 27 8.348 7.587 0.761 1 1 192 . 9 1 1 A 21 21 LYS HA H 27 3.970 4.365 -0.395 1 1 201 . 9 1 1 A 21 21 LYS C C 27 177.393 177.008 0.385 1 1 202 . 9 1 1 A 21 21 LYS CA C 27 56.320 56.375 -0.055 1 1 203 . 9 1 1 A 21 21 LYS CB C 27 30.950 34.480 -3.530 1 1 206 . 9 1 1 A 21 21 LYS N N 27 118.419 116.079 2.340 1 1 207 . 9 1 1 A 22 22 ASP H H 28 7.451 8.696 -1.245 1 1 208 . 9 1 1 A 22 22 ASP HA H 28 4.307 4.265 0.042 1 1 211 . 9 1 1 A 22 22 ASP C C 28 176.212 176.057 0.155 1 1 212 . 9 1 1 A 22 22 ASP CA C 28 54.164 56.252 -2.088 1 1 213 . 9 1 1 A 22 22 ASP CB C 28 40.091 39.476 0.615 1 1 214 . 9 1 1 A 22 22 ASP N N 28 120.045 115.583 4.462 1 1 215 . 9 1 1 A 23 23 LYS H H 29 8.416 7.649 0.767 1 1 216 . 9 1 1 A 23 23 LYS HA H 29 3.962 4.513 -0.551 1 1 225 . 9 1 1 A 23 23 LYS C C 29 177.409 176.146 1.263 1 1 226 . 9 1 1 A 23 23 LYS CA C 29 56.254 56.641 -0.387 1 1 227 . 9 1 1 A 23 23 LYS CB C 29 31.950 34.831 -2.881 1 1 231 . 9 1 1 A 23 23 LYS N N 29 121.925 117.270 4.655 1 1 232 . 9 1 1 A 24 24 GLY H H 30 8.612 8.024 0.588 1 1 233 . 9 1 1 A 24 24 GLY HA2 H 30 3.655 4.053 -0.398 1 1 234 . 9 1 1 A 24 24 GLY HA3 H 30 3.519 4.055 -0.536 1 1 235 . 9 1 1 A 24 24 GLY CA C 30 44.788 44.956 -0.168 1 1 236 . 9 1 1 A 24 24 GLY N N 30 111.487 109.290 2.197 1 1 237 . 9 1 1 A 25 25 LEU H H 31 8.054 8.377 -0.323 1 1 238 . 9 1 1 A 25 25 LEU HA H 31 3.770 4.383 -0.613 1 1 248 . 9 1 1 A 25 25 LEU CA C 31 55.906 55.712 0.194 1 1 249 . 9 1 1 A 25 25 LEU CB C 31 44.428 42.357 2.071 1 1 253 . 9 1 1 A 25 25 LEU N N 31 127.196 121.931 5.265 1 1 254 . 9 1 1 A 26 26 GLN H H 32 9.184 8.711 0.473 1 1 255 . 9 1 1 A 26 26 GLN HA H 32 3.437 4.774 -1.337 1 1 262 . 9 1 1 A 26 26 GLN C C 32 174.347 174.904 -0.557 1 1 263 . 9 1 1 A 26 26 GLN CA C 32 57.926 55.185 2.741 1 1 264 . 9 1 1 A 26 26 GLN CB C 32 27.721 29.910 -2.189 1 1 266 . 9 1 1 A 26 26 GLN N N 32 131.782 122.511 9.271 1 1 268 . 9 1 1 A 27 27 SER H H 33 7.240 7.679 -0.439 1 1 269 . 9 1 1 A 27 27 SER HA H 33 4.981 5.060 -0.079 1 1 272 . 9 1 1 A 27 27 SER C C 33 171.111 172.521 -1.410 1 1 273 . 9 1 1 A 27 27 SER CA C 33 56.782 57.589 -0.807 1 1 274 . 9 1 1 A 27 27 SER CB C 33 64.611 65.786 -1.175 1 1 275 . 9 1 1 A 27 27 SER N N 33 108.936 112.661 -3.725 1 1 276 . 9 1 1 A 28 28 LEU H H 34 8.010 8.801 -0.791 1 1 277 . 9 1 1 A 28 28 LEU HA H 34 4.372 4.803 -0.431 1 1 287 . 9 1 1 A 28 28 LEU C C 34 174.697 175.697 -1.000 1 1 288 . 9 1 1 A 28 28 LEU CA C 34 53.332 53.623 -0.291 1 1 289 . 9 1 1 A 28 28 LEU CB C 34 45.636 43.010 2.626 1 1 293 . 9 1 1 A 28 28 LEU N N 34 121.826 122.965 -1.139 1 1 294 . 9 1 1 A 29 29 THR H H 35 8.810 8.622 0.188 1 1 295 . 9 1 1 A 29 29 THR HA H 35 4.046 4.358 -0.312 1 1 300 . 9 1 1 A 29 29 THR C C 35 172.792 174.240 -1.448 1 1 301 . 9 1 1 A 29 29 THR CA C 35 62.565 63.173 -0.608 1 1 302 . 9 1 1 A 29 29 THR CB C 35 68.233 69.384 -1.151 1 1 304 . 9 1 1 A 29 29 THR N N 35 123.892 122.814 1.078 1 1 305 . 9 1 1 A 30 30 LEU H H 36 8.662 8.670 -0.008 1 1 306 . 9 1 1 A 30 30 LEU HA H 36 4.150 4.707 -0.557 1 1 316 . 9 1 1 A 30 30 LEU C C 36 174.707 175.766 -1.059 1 1 317 . 9 1 1 A 30 30 LEU CA C 36 53.789 54.077 -0.288 1 1 318 . 9 1 1 A 30 30 LEU CB C 36 40.562 41.782 -1.220 1 1 322 . 9 1 1 A 30 30 LEU N N 36 128.365 126.421 1.944 1 1 323 . 9 1 1 A 31 31 ASP H H 37 8.500 8.737 -0.237 1 1 324 . 9 1 1 A 31 31 ASP HA H 37 4.837 4.816 0.021 1 1 327 . 9 1 1 A 31 31 ASP CA C 37 54.657 55.637 -0.980 1 1 328 . 9 1 1 A 31 31 ASP CB C 37 43.089 42.927 0.162 1 1 329 . 9 1 1 A 31 31 ASP N N 37 123.194 125.896 -2.702 1 1 330 . 9 1 1 A 32 32 GLN H H 38 10.453 8.252 2.201 1 1 331 . 9 1 1 A 32 32 GLN HA H 38 3.808 3.981 -0.173 1 1 338 . 9 1 1 A 32 32 GLN C C 38 178.535 177.838 0.697 1 1 339 . 9 1 1 A 32 32 GLN CA C 38 56.284 58.762 -2.478 1 1 340 . 9 1 1 A 32 32 GLN CB C 38 28.175 28.084 0.091 1 1 342 . 9 1 1 A 32 32 GLN N N 38 120.692 119.801 0.891 1 1 344 . 9 1 1 A 33 33 SER H H 39 8.523 7.843 0.680 1 1 345 . 9 1 1 A 33 33 SER HA H 39 4.081 4.120 -0.039 1 1 348 . 9 1 1 A 33 33 SER C C 39 171.792 173.763 -1.971 1 1 349 . 9 1 1 A 33 33 SER CA C 39 61.436 61.694 -0.258 1 1 350 . 9 1 1 A 33 33 SER CB C 39 63.008 63.717 -0.709 1 1 351 . 9 1 1 A 33 33 SER N N 39 111.712 114.779 -3.067 1 1 352 . 9 1 1 A 34 34 VAL H H 40 6.691 7.625 -0.934 1 1 353 . 9 1 1 A 34 34 VAL HA H 40 3.890 4.609 -0.719 1 1 361 . 9 1 1 A 34 34 VAL C C 40 172.251 174.288 -2.037 1 1 362 . 9 1 1 A 34 34 VAL CA C 40 60.415 59.861 0.554 1 1 363 . 9 1 1 A 34 34 VAL CB C 40 32.306 35.584 -3.278 1 1 366 . 9 1 1 A 34 34 VAL N N 40 115.971 118.203 -2.232 1 1 367 . 9 1 1 A 35 35 ARG H H 41 8.184 8.658 -0.474 1 1 368 . 9 1 1 A 35 35 ARG HA H 41 4.176 4.369 -0.193 1 1 375 . 9 1 1 A 35 35 ARG C C 41 176.886 177.841 -0.955 1 1 376 . 9 1 1 A 35 35 ARG CA C 41 55.599 55.921 -0.322 1 1 377 . 9 1 1 A 35 35 ARG CB C 41 30.569 31.338 -0.769 1 1 380 . 9 1 1 A 35 35 ARG N N 41 125.397 125.960 -0.563 1 1 381 . 9 1 1 A 36 36 LYS H H 42 8.493 8.875 -0.382 1 1 382 . 9 1 1 A 36 36 LYS HA H 42 3.778 4.064 -0.286 1 1 391 . 9 1 1 A 36 36 LYS C C 42 176.596 178.463 -1.867 1 1 392 . 9 1 1 A 36 36 LYS CA C 42 58.687 58.627 0.060 1 1 393 . 9 1 1 A 36 36 LYS CB C 42 31.959 32.002 -0.043 1 1 397 . 9 1 1 A 36 36 LYS N N 42 119.360 122.859 -3.499 1 1 398 . 9 1 1 A 37 37 ASN H H 43 8.513 8.059 0.454 1 1 399 . 9 1 1 A 37 37 ASN HA H 43 4.438 4.640 -0.202 1 1 404 . 9 1 1 A 37 37 ASN C C 43 173.867 175.581 -1.714 1 1 405 . 9 1 1 A 37 37 ASN CA C 43 55.127 55.398 -0.271 1 1 406 . 9 1 1 A 37 37 ASN CB C 43 37.071 38.743 -1.672 1 1 407 . 9 1 1 A 37 37 ASN N N 43 115.488 115.942 -0.454 1 1 409 . 9 1 1 A 38 38 GLU H H 44 7.793 7.761 0.032 1 1 410 . 9 1 1 A 38 38 GLU HA H 44 4.772 4.843 -0.071 1 1 413 . 9 1 1 A 38 38 GLU C C 44 175.262 175.069 0.193 1 1 414 . 9 1 1 A 38 38 GLU CA C 44 54.808 54.626 0.182 1 1 415 . 9 1 1 A 38 38 GLU CB C 44 32.321 30.948 1.373 1 1 416 . 9 1 1 A 38 38 GLU N N 44 118.734 117.141 1.593 1 1 417 . 9 1 1 A 39 39 LYS H H 45 8.706 8.083 0.623 1 1 418 . 9 1 1 A 39 39 LYS HA H 45 4.606 5.372 -0.766 1 1 427 . 9 1 1 A 39 39 LYS C C 45 174.312 175.137 -0.825 1 1 428 . 9 1 1 A 39 39 LYS CA C 45 52.782 54.850 -2.068 1 1 429 . 9 1 1 A 39 39 LYS CB C 45 35.174 35.720 -0.546 1 1 433 . 9 1 1 A 39 39 LYS N N 45 117.132 119.007 -1.875 1 1 434 . 9 1 1 A 40 40 LEU H H 46 9.085 9.026 0.059 1 1 435 . 9 1 1 A 40 40 LEU HA H 46 5.044 5.234 -0.190 1 1 442 . 9 1 1 A 40 40 LEU C C 46 173.778 174.758 -0.980 1 1 443 . 9 1 1 A 40 40 LEU CA C 46 52.590 54.342 -1.752 1 1 444 . 9 1 1 A 40 40 LEU CB C 46 44.855 45.986 -1.131 1 1 447 . 9 1 1 A 40 40 LEU N N 46 125.335 124.801 0.534 1 1 448 . 9 1 1 A 41 41 LYS H H 47 9.263 9.461 -0.198 1 1 449 . 9 1 1 A 41 41 LYS HA H 47 5.049 5.093 -0.044 1 1 458 . 9 1 1 A 41 41 LYS C C 47 175.616 175.441 0.175 1 1 459 . 9 1 1 A 41 41 LYS CA C 47 53.864 54.751 -0.887 1 1 460 . 9 1 1 A 41 41 LYS CB C 47 32.986 34.846 -1.860 1 1 464 . 9 1 1 A 41 41 LYS N N 47 129.833 126.854 2.979 1 1 465 . 9 1 1 A 42 42 LEU H H 48 8.954 8.782 0.172 1 1 466 . 9 1 1 A 42 42 LEU HA H 48 5.458 5.415 0.043 1 1 476 . 9 1 1 A 42 42 LEU C C 48 175.565 175.863 -0.298 1 1 477 . 9 1 1 A 42 42 LEU CA C 48 51.964 53.327 -1.363 1 1 478 . 9 1 1 A 42 42 LEU CB C 48 44.393 45.186 -0.793 1 1 482 . 9 1 1 A 42 42 LEU N N 48 126.292 123.621 2.671 1 1 483 . 9 1 1 A 43 43 ALA H H 49 8.804 8.572 0.232 1 1 484 . 9 1 1 A 43 43 ALA HA H 49 5.304 5.337 -0.033 1 1 488 . 9 1 1 A 43 43 ALA C C 49 176.301 175.897 0.404 1 1 489 . 9 1 1 A 43 43 ALA CA C 49 51.004 51.654 -0.650 1 1 490 . 9 1 1 A 43 43 ALA CB C 49 23.453 22.470 0.983 1 1 491 . 9 1 1 A 43 43 ALA N N 49 120.789 122.450 -1.661 1 1 492 . 9 1 1 A 44 44 ALA H H 50 8.117 8.741 -0.624 1 1 493 . 9 1 1 A 44 44 ALA HA H 50 4.485 4.488 -0.003 1 1 497 . 9 1 1 A 44 44 ALA C C 50 176.254 175.701 0.553 1 1 498 . 9 1 1 A 44 44 ALA CA C 50 53.021 51.880 1.141 1 1 499 . 9 1 1 A 44 44 ALA CB C 50 23.682 21.574 2.108 1 1 500 . 9 1 1 A 44 44 ALA N N 50 120.678 122.215 -1.537 1 1 501 . 9 1 1 A 45 45 GLN H H 51 9.035 9.168 -0.133 1 1 502 . 9 1 1 A 45 45 GLN HA H 51 3.774 3.974 -0.200 1 1 509 . 9 1 1 A 45 45 GLN C C 51 175.259 176.046 -0.787 1 1 510 . 9 1 1 A 45 45 GLN CA C 51 56.074 57.065 -0.991 1 1 511 . 9 1 1 A 45 45 GLN CB C 51 27.339 27.262 0.077 1 1 513 . 9 1 1 A 45 45 GLN N N 51 116.299 123.197 -6.898 1 1 515 . 9 1 1 A 46 46 GLY H H 52 8.441 8.706 -0.265 1 1 516 . 9 1 1 A 46 46 GLY HA2 H 52 4.066 3.818 0.248 1 1 517 . 9 1 1 A 46 46 GLY HA3 H 52 3.510 3.818 -0.308 1 1 518 . 9 1 1 A 46 46 GLY C C 52 173.050 173.824 -0.774 1 1 519 . 9 1 1 A 46 46 GLY CA C 52 44.998 45.441 -0.443 1 1 520 . 9 1 1 A 46 46 GLY N N 52 105.419 104.135 1.284 1 1 521 . 9 1 1 A 47 47 ALA H H 53 8.152 7.725 0.427 1 1 522 . 9 1 1 A 47 47 ALA HA H 53 4.767 4.739 0.028 1 1 526 . 9 1 1 A 47 47 ALA C C 53 175.989 176.434 -0.445 1 1 527 . 9 1 1 A 47 47 ALA CA C 53 49.918 50.981 -1.063 1 1 528 . 9 1 1 A 47 47 ALA CB C 53 22.720 21.567 1.153 1 1 529 . 9 1 1 A 47 47 ALA N N 53 124.355 123.018 1.337 1 1 530 . 9 1 1 A 48 48 GLU H H 54 8.156 9.144 -0.988 1 1 531 . 9 1 1 A 48 48 GLU HA H 54 5.488 5.281 0.207 1 1 536 . 9 1 1 A 48 48 GLU C C 54 174.224 173.941 0.283 1 1 537 . 9 1 1 A 48 48 GLU CA C 54 54.346 54.827 -0.481 1 1 538 . 9 1 1 A 48 48 GLU CB C 54 34.305 33.666 0.639 1 1 540 . 9 1 1 A 48 48 GLU N N 54 116.655 116.210 0.445 1 1 541 . 9 1 1 A 49 49 LYS H H 55 8.852 8.530 0.322 1 1 542 . 9 1 1 A 49 49 LYS HA H 55 4.190 4.882 -0.692 1 1 549 . 9 1 1 A 49 49 LYS C C 55 172.887 174.376 -1.489 1 1 550 . 9 1 1 A 49 49 LYS CA C 55 56.414 54.741 1.673 1 1 551 . 9 1 1 A 49 49 LYS CB C 55 34.723 36.251 -1.528 1 1 554 . 9 1 1 A 49 49 LYS N N 55 122.922 121.244 1.678 1 1 555 . 9 1 1 A 50 50 THR H H 56 7.910 8.622 -0.712 1 1 556 . 9 1 1 A 50 50 THR HA H 56 4.908 5.306 -0.398 1 1 561 . 9 1 1 A 50 50 THR C C 56 173.112 173.236 -0.124 1 1 562 . 9 1 1 A 50 50 THR CA C 56 61.998 60.492 1.506 1 1 563 . 9 1 1 A 50 50 THR CB C 56 68.596 70.725 -2.129 1 1 565 . 9 1 1 A 50 50 THR N N 56 120.811 112.964 7.847 1 1 566 . 9 1 1 A 51 51 TYR H H 57 9.432 9.429 0.003 1 1 567 . 9 1 1 A 51 51 TYR HA H 57 4.493 5.429 -0.936 1 1 574 . 9 1 1 A 51 51 TYR C C 57 174.156 176.050 -1.894 1 1 575 . 9 1 1 A 51 51 TYR CA C 57 57.375 55.709 1.666 1 1 576 . 9 1 1 A 51 51 TYR CB C 57 41.895 42.270 -0.375 1 1 577 . 9 1 1 A 51 51 TYR N N 57 127.372 123.282 4.090 1 1 578 . 9 1 1 A 52 52 GLY H H 58 9.154 8.479 0.675 1 1 579 . 9 1 1 A 52 52 GLY HA2 H 58 3.543 4.266 -0.723 1 1 580 . 9 1 1 A 52 52 GLY HA3 H 58 3.543 4.270 -0.727 1 1 581 . 9 1 1 A 52 52 GLY C C 58 172.527 173.623 -1.096 1 1 582 . 9 1 1 A 52 52 GLY CA C 58 42.304 45.976 -3.672 1 1 583 . 9 1 1 A 52 52 GLY N N 58 108.920 109.377 -0.457 1 1 584 . 9 1 1 A 53 53 ASN H H 59 8.877 9.350 -0.473 1 1 585 . 9 1 1 A 53 53 ASN HA H 59 4.034 4.360 -0.326 1 1 588 . 9 1 1 A 53 53 ASN C C 59 176.319 174.614 1.705 1 1 589 . 9 1 1 A 53 53 ASN CA C 59 57.108 54.089 3.019 1 1 590 . 9 1 1 A 53 53 ASN CB C 59 39.672 37.370 2.302 1 1 591 . 9 1 1 A 53 53 ASN N N 59 117.281 120.984 -3.703 1 1 592 . 9 1 1 A 54 54 GLY H H 60 8.949 8.621 0.328 1 1 593 . 9 1 1 A 54 54 GLY HA2 H 60 4.222 4.021 0.201 1 1 594 . 9 1 1 A 54 54 GLY HA3 H 60 3.348 4.039 -0.691 1 1 595 . 9 1 1 A 54 54 GLY C C 60 174.096 172.645 1.451 1 1 596 . 9 1 1 A 54 54 GLY CA C 60 44.931 44.669 0.262 1 1 597 . 9 1 1 A 54 54 GLY N N 60 114.860 105.158 9.702 1 1 598 . 9 1 1 A 55 55 ASP H H 61 7.991 8.265 -0.274 1 1 599 . 9 1 1 A 55 55 ASP HA H 61 4.493 4.916 -0.423 1 1 602 . 9 1 1 A 55 55 ASP C C 61 174.727 173.948 0.779 1 1 603 . 9 1 1 A 55 55 ASP CA C 61 54.408 52.642 1.766 1 1 604 . 9 1 1 A 55 55 ASP CB C 61 41.780 42.831 -1.051 1 1 605 . 9 1 1 A 55 55 ASP N N 61 121.974 124.558 -2.584 1 1 606 . 9 1 1 A 56 56 SER H H 62 8.485 8.254 0.231 1 1 607 . 9 1 1 A 56 56 SER HA H 62 4.959 5.291 -0.332 1 1 610 . 9 1 1 A 56 56 SER C C 62 173.099 172.056 1.043 1 1 611 . 9 1 1 A 56 56 SER CA C 62 57.154 57.276 -0.122 1 1 612 . 9 1 1 A 56 56 SER CB C 62 64.522 65.583 -1.061 1 1 613 . 9 1 1 A 56 56 SER N N 62 113.088 114.803 -1.715 1 1 614 . 9 1 1 A 57 57 LEU H H 63 9.004 8.969 0.035 1 1 615 . 9 1 1 A 57 57 LEU HA H 63 4.500 5.141 -0.641 1 1 625 . 9 1 1 A 57 57 LEU C C 63 175.943 175.401 0.542 1 1 626 . 9 1 1 A 57 57 LEU CA C 63 53.070 53.443 -0.373 1 1 627 . 9 1 1 A 57 57 LEU CB C 63 43.800 45.455 -1.655 1 1 630 . 9 1 1 A 57 57 LEU N N 63 126.423 123.710 2.713 1 1 631 . 9 1 1 A 58 58 ASN H H 64 8.484 8.866 -0.382 1 1 632 . 9 1 1 A 58 58 ASN HA H 64 4.752 4.857 -0.105 1 1 635 . 9 1 1 A 58 58 ASN C C 64 173.916 175.002 -1.086 1 1 636 . 9 1 1 A 58 58 ASN CA C 64 50.587 53.518 -2.931 1 1 637 . 9 1 1 A 58 58 ASN CB C 64 35.153 38.822 -3.669 1 1 638 . 9 1 1 A 58 58 ASN N N 64 125.624 124.866 0.758 1 1 639 . 9 1 1 A 59 59 THR H H 65 7.747 8.445 -0.698 1 1 640 . 9 1 1 A 59 59 THR HA H 65 4.770 4.599 0.171 1 1 645 . 9 1 1 A 59 59 THR C C 65 177.245 173.549 3.696 1 1 646 . 9 1 1 A 59 59 THR CA C 65 63.213 61.293 1.920 1 1 647 . 9 1 1 A 59 59 THR CB C 65 63.510 69.435 -5.925 1 1 649 . 9 1 1 A 59 59 THR N N 65 113.770 117.922 -4.152 1 1 650 . 9 1 1 A 60 60 GLY H H 66 8.869 8.485 0.384 1 1 651 . 9 1 1 A 60 60 GLY HA2 H 66 3.839 4.059 -0.220 1 1 652 . 9 1 1 A 60 60 GLY HA3 H 66 3.724 4.069 -0.345 1 1 653 . 9 1 1 A 60 60 GLY C C 66 173.279 174.875 -1.596 1 1 654 . 9 1 1 A 60 60 GLY CA C 66 44.892 44.628 0.264 1 1 655 . 9 1 1 A 60 60 GLY N N 66 114.430 112.879 1.551 1 1 656 . 9 1 1 A 61 61 LYS H H 67 6.376 8.586 -2.210 1 1 657 . 9 1 1 A 61 61 LYS HA H 67 4.021 3.971 0.050 1 1 666 . 9 1 1 A 61 61 LYS C C 67 176.315 177.225 -0.910 1 1 667 . 9 1 1 A 61 61 LYS CA C 67 54.298 59.990 -5.692 1 1 668 . 9 1 1 A 61 61 LYS CB C 67 32.200 32.288 -0.088 1 1 672 . 9 1 1 A 61 61 LYS N N 67 112.620 120.666 -8.046 1 1 673 . 9 1 1 A 62 62 LEU H H 68 7.335 7.818 -0.483 1 1 674 . 9 1 1 A 62 62 LEU HA H 68 4.275 3.948 0.327 1 1 684 . 9 1 1 A 62 62 LEU C C 68 176.306 175.691 0.615 1 1 685 . 9 1 1 A 62 62 LEU CA C 68 52.479 57.231 -4.752 1 1 686 . 9 1 1 A 62 62 LEU CB C 68 40.600 40.698 -0.098 1 1 689 . 9 1 1 A 62 62 LEU N N 68 116.704 120.730 -4.026 1 1 690 . 9 1 1 A 63 63 LYS H H 69 8.506 7.646 0.860 1 1 691 . 9 1 1 A 63 63 LYS HA H 69 3.992 4.647 -0.655 1 1 700 . 9 1 1 A 63 63 LYS C C 69 175.886 174.002 1.884 1 1 701 . 9 1 1 A 63 63 LYS CA C 69 54.986 55.495 -0.509 1 1 702 . 9 1 1 A 63 63 LYS CB C 69 32.447 36.187 -3.740 1 1 706 . 9 1 1 A 63 63 LYS N N 69 119.841 117.185 2.656 1 1 707 . 9 1 1 A 64 64 ASN H H 70 8.080 8.621 -0.541 1 1 708 . 9 1 1 A 64 64 ASN HA H 70 3.839 4.973 -1.134 1 1 713 . 9 1 1 A 64 64 ASN C C 70 174.449 174.532 -0.083 1 1 714 . 9 1 1 A 64 64 ASN CA C 70 54.417 51.534 2.883 1 1 715 . 9 1 1 A 64 64 ASN CB C 70 38.129 39.300 -1.171 1 1 716 . 9 1 1 A 64 64 ASN N N 70 121.515 122.649 -1.134 1 1 718 . 9 1 1 A 65 65 ASP H H 71 9.218 8.830 0.388 1 1 719 . 9 1 1 A 65 65 ASP HA H 71 3.690 4.257 -0.567 1 1 722 . 9 1 1 A 65 65 ASP C C 71 173.016 174.801 -1.785 1 1 723 . 9 1 1 A 65 65 ASP CA C 71 54.726 55.519 -0.793 1 1 724 . 9 1 1 A 65 65 ASP CB C 71 38.534 39.782 -1.248 1 1 725 . 9 1 1 A 65 65 ASP N N 71 113.370 116.780 -3.410 1 1 726 . 9 1 1 A 66 66 LYS H H 72 6.443 7.404 -0.961 1 1 727 . 9 1 1 A 66 66 LYS HA H 72 4.411 4.945 -0.534 1 1 734 . 9 1 1 A 66 66 LYS C C 72 174.745 174.907 -0.162 1 1 735 . 9 1 1 A 66 66 LYS CA C 72 53.094 54.348 -1.254 1 1 736 . 9 1 1 A 66 66 LYS CB C 72 36.099 35.690 0.409 1 1 739 . 9 1 1 A 66 66 LYS N N 72 113.415 115.108 -1.693 1 1 740 . 9 1 1 A 67 67 VAL H H 73 8.679 8.580 0.099 1 1 741 . 9 1 1 A 67 67 VAL HA H 73 4.189 4.886 -0.697 1 1 749 . 9 1 1 A 67 67 VAL C C 73 176.630 174.930 1.700 1 1 750 . 9 1 1 A 67 67 VAL CA C 73 62.135 60.177 1.958 1 1 751 . 9 1 1 A 67 67 VAL CB C 73 32.001 33.818 -1.817 1 1 753 . 9 1 1 A 67 67 VAL N N 73 122.098 114.520 7.578 1 1 754 . 9 1 1 A 68 68 SER H H 74 9.497 8.950 0.547 1 1 755 . 9 1 1 A 68 68 SER HA H 74 4.507 5.174 -0.667 1 1 758 . 9 1 1 A 68 68 SER C C 74 172.249 173.897 -1.648 1 1 759 . 9 1 1 A 68 68 SER CA C 74 58.323 56.378 1.945 1 1 760 . 9 1 1 A 68 68 SER CB C 74 64.028 64.475 -0.447 1 1 761 . 9 1 1 A 68 68 SER N N 74 127.048 120.090 6.958 1 1 762 . 9 1 1 A 69 69 ARG H H 75 7.848 8.359 -0.511 1 1 763 . 9 1 1 A 69 69 ARG HA H 75 5.031 4.347 0.684 1 1 770 . 9 1 1 A 69 69 ARG C C 75 173.300 175.744 -2.444 1 1 771 . 9 1 1 A 69 69 ARG CA C 75 55.337 56.051 -0.714 1 1 772 . 9 1 1 A 69 69 ARG CB C 75 31.871 30.320 1.551 1 1 775 . 9 1 1 A 69 69 ARG N N 75 122.621 122.493 0.128 1 1 776 . 9 1 1 A 70 70 PHE H H 76 9.246 8.737 0.509 1 1 777 . 9 1 1 A 70 70 PHE HA H 76 4.808 5.143 -0.335 1 1 784 . 9 1 1 A 70 70 PHE C C 76 175.788 174.239 1.549 1 1 785 . 9 1 1 A 70 70 PHE CA C 76 55.245 56.682 -1.437 1 1 786 . 9 1 1 A 70 70 PHE CB C 76 43.645 43.707 -0.062 1 1 787 . 9 1 1 A 70 70 PHE N N 76 118.087 120.407 -2.320 1 1 788 . 9 1 1 A 71 71 ASP H H 77 9.144 8.829 0.315 1 1 789 . 9 1 1 A 71 71 ASP HA H 77 5.360 5.580 -0.220 1 1 792 . 9 1 1 A 71 71 ASP C C 77 176.477 175.405 1.072 1 1 793 . 9 1 1 A 71 71 ASP CA C 77 55.131 52.777 2.354 1 1 794 . 9 1 1 A 71 71 ASP CB C 77 41.301 43.628 -2.327 1 1 795 . 9 1 1 A 71 71 ASP N N 77 123.565 120.645 2.920 1 1 796 . 9 1 1 A 72 72 PHE H H 78 9.094 8.828 0.266 1 1 797 . 9 1 1 A 72 72 PHE HA H 78 6.431 5.742 0.689 1 1 805 . 9 1 1 A 72 72 PHE C C 78 174.014 173.048 0.966 1 1 806 . 9 1 1 A 72 72 PHE CA C 78 54.934 55.822 -0.888 1 1 807 . 9 1 1 A 72 72 PHE CB C 78 42.491 43.008 -0.517 1 1 808 . 9 1 1 A 72 72 PHE N N 78 119.663 117.139 2.524 1 1 809 . 9 1 1 A 73 73 ILE H H 79 8.623 8.858 -0.235 1 1 810 . 9 1 1 A 73 73 ILE HA H 79 4.334 4.933 -0.599 1 1 820 . 9 1 1 A 73 73 ILE C C 79 173.961 173.980 -0.019 1 1 821 . 9 1 1 A 73 73 ILE CA C 79 61.222 59.672 1.550 1 1 822 . 9 1 1 A 73 73 ILE CB C 79 41.918 42.281 -0.363 1 1 826 . 9 1 1 A 73 73 ILE N N 79 119.750 120.035 -0.285 1 1 827 . 9 1 1 A 74 74 ARG H H 80 9.052 9.042 0.010 1 1 828 . 9 1 1 A 74 74 ARG HA H 80 5.311 5.132 0.179 1 1 835 . 9 1 1 A 74 74 ARG C C 80 174.870 174.926 -0.056 1 1 836 . 9 1 1 A 74 74 ARG CA C 80 54.449 55.199 -0.750 1 1 837 . 9 1 1 A 74 74 ARG CB C 80 33.740 32.199 1.541 1 1 840 . 9 1 1 A 74 74 ARG N N 80 128.407 127.163 1.244 1 1 841 . 9 1 1 A 75 75 GLN H H 81 9.304 8.732 0.572 1 1 842 . 9 1 1 A 75 75 GLN HA H 81 5.562 4.949 0.613 1 1 849 . 9 1 1 A 75 75 GLN C C 81 173.678 173.970 -0.292 1 1 850 . 9 1 1 A 75 75 GLN CA C 81 53.745 55.492 -1.747 1 1 851 . 9 1 1 A 75 75 GLN CB C 81 34.013 32.416 1.597 1 1 853 . 9 1 1 A 75 75 GLN N N 81 125.481 122.958 2.523 1 1 855 . 9 1 1 A 76 76 ILE H H 82 8.592 8.524 0.068 1 1 856 . 9 1 1 A 76 76 ILE HA H 82 4.576 4.619 -0.043 1 1 866 . 9 1 1 A 76 76 ILE C C 82 172.511 173.608 -1.097 1 1 867 . 9 1 1 A 76 76 ILE CA C 82 59.622 59.707 -0.085 1 1 868 . 9 1 1 A 76 76 ILE CB C 82 42.248 40.986 1.262 1 1 872 . 9 1 1 A 76 76 ILE N N 82 115.536 124.424 -8.888 1 1 873 . 9 1 1 A 77 77 GLU H H 83 8.433 8.468 -0.035 1 1 874 . 9 1 1 A 77 77 GLU HA H 83 4.936 4.466 0.470 1 1 879 . 9 1 1 A 77 77 GLU C C 83 175.614 176.565 -0.951 1 1 880 . 9 1 1 A 77 77 GLU CA C 83 54.812 56.508 -1.696 1 1 881 . 9 1 1 A 77 77 GLU CB C 83 30.465 29.952 0.513 1 1 883 . 9 1 1 A 77 77 GLU N N 83 124.858 124.932 -0.074 1 1 884 . 9 1 1 A 78 78 VAL H H 84 8.879 8.587 0.292 1 1 885 . 9 1 1 A 78 78 VAL HA H 84 4.076 4.655 -0.579 1 1 893 . 9 1 1 A 78 78 VAL C C 84 175.694 174.622 1.072 1 1 894 . 9 1 1 A 78 78 VAL CA C 84 61.382 60.123 1.259 1 1 895 . 9 1 1 A 78 78 VAL CB C 84 34.014 34.459 -0.445 1 1 897 . 9 1 1 A 78 78 VAL N N 84 126.973 117.893 9.080 1 1 898 . 9 1 1 A 79 79 ASP H H 85 9.329 9.443 -0.114 1 1 899 . 9 1 1 A 79 79 ASP HA H 85 4.156 4.322 -0.166 1 1 902 . 9 1 1 A 79 79 ASP C C 85 175.774 176.235 -0.461 1 1 903 . 9 1 1 A 79 79 ASP CA C 85 55.125 55.233 -0.108 1 1 904 . 9 1 1 A 79 79 ASP CB C 85 38.926 39.459 -0.533 1 1 905 . 9 1 1 A 79 79 ASP N N 85 129.387 123.248 6.139 1 1 906 . 9 1 1 A 80 80 GLY H H 86 8.575 8.619 -0.044 1 1 907 . 9 1 1 A 80 80 GLY HA2 H 86 3.992 3.861 0.131 1 1 908 . 9 1 1 A 80 80 GLY HA3 H 86 3.507 3.862 -0.355 1 1 909 . 9 1 1 A 80 80 GLY C C 86 173.366 173.756 -0.390 1 1 910 . 9 1 1 A 80 80 GLY CA C 86 44.759 45.522 -0.763 1 1 911 . 9 1 1 A 80 80 GLY N N 86 103.293 104.862 -1.569 1 1 912 . 9 1 1 A 81 81 GLN H H 87 7.751 8.211 -0.460 1 1 913 . 9 1 1 A 81 81 GLN HA H 87 4.482 4.699 -0.217 1 1 918 . 9 1 1 A 81 81 GLN C C 87 173.874 175.043 -1.169 1 1 919 . 9 1 1 A 81 81 GLN CA C 87 53.328 54.531 -1.203 1 1 920 . 9 1 1 A 81 81 GLN CB C 87 30.670 31.254 -0.584 1 1 922 . 9 1 1 A 81 81 GLN N N 87 119.688 118.348 1.340 1 1 923 . 9 1 1 A 82 82 LEU H H 88 8.418 8.411 0.007 1 1 924 . 9 1 1 A 82 82 LEU HA H 88 4.630 5.072 -0.442 1 1 934 . 9 1 1 A 82 82 LEU C C 88 176.289 175.858 0.431 1 1 935 . 9 1 1 A 82 82 LEU CA C 88 53.834 53.570 0.264 1 1 936 . 9 1 1 A 82 82 LEU CB C 88 41.737 42.338 -0.601 1 1 940 . 9 1 1 A 82 82 LEU N N 88 123.523 123.019 0.504 1 1 941 . 9 1 1 A 83 83 ILE H H 89 9.146 8.844 0.302 1 1 942 . 9 1 1 A 83 83 ILE HA H 89 4.249 4.944 -0.695 1 1 952 . 9 1 1 A 83 83 ILE C C 89 175.698 174.595 1.103 1 1 953 . 9 1 1 A 83 83 ILE CA C 89 59.363 60.476 -1.113 1 1 954 . 9 1 1 A 83 83 ILE CB C 89 39.633 41.324 -1.691 1 1 958 . 9 1 1 A 83 83 ILE N N 89 127.151 124.468 2.683 1 1 959 . 9 1 1 A 84 84 THR H H 90 8.656 8.802 -0.146 1 1 960 . 9 1 1 A 84 84 THR HA H 90 4.203 4.797 -0.594 1 1 965 . 9 1 1 A 84 84 THR C C 90 172.890 173.358 -0.468 1 1 966 . 9 1 1 A 84 84 THR CA C 90 62.641 59.852 2.789 1 1 967 . 9 1 1 A 84 84 THR CB C 90 68.634 68.615 0.019 1 1 969 . 9 1 1 A 84 84 THR N N 90 123.099 120.043 3.056 1 1 970 . 9 1 1 A 85 85 LEU H H 91 8.967 8.198 0.769 1 1 971 . 9 1 1 A 85 85 LEU HA H 91 4.256 4.548 -0.292 1 1 980 . 9 1 1 A 85 85 LEU C C 91 177.371 175.431 1.940 1 1 981 . 9 1 1 A 85 85 LEU CA C 91 55.527 54.254 1.273 1 1 982 . 9 1 1 A 85 85 LEU CB C 91 44.315 43.066 1.249 1 1 984 . 9 1 1 A 85 85 LEU N N 91 125.333 123.613 1.720 1 1 985 . 9 1 1 A 86 86 GLU H H 92 7.503 7.782 -0.279 1 1 986 . 9 1 1 A 86 86 GLU HA H 92 5.026 4.894 0.132 1 1 991 . 9 1 1 A 86 86 GLU C C 92 172.723 175.831 -3.108 1 1 992 . 9 1 1 A 86 86 GLU CA C 92 54.670 55.298 -0.628 1 1 993 . 9 1 1 A 86 86 GLU CB C 92 33.717 30.506 3.211 1 1 995 . 9 1 1 A 86 86 GLU N N 92 116.655 121.023 -4.368 1 1 996 . 9 1 1 A 87 87 SER H H 93 8.954 8.566 0.388 1 1 997 . 9 1 1 A 87 87 SER HA H 93 4.245 5.007 -0.762 1 1 1000 . 9 1 1 A 87 87 SER C C 93 172.763 173.206 -0.443 1 1 1001 . 9 1 1 A 87 87 SER CA C 93 57.328 57.100 0.228 1 1 1002 . 9 1 1 A 87 87 SER CB C 93 65.493 66.639 -1.146 1 1 1003 . 9 1 1 A 87 87 SER N N 93 117.941 120.055 -2.114 1 1 1004 . 9 1 1 A 88 88 GLY H H 94 6.932 6.848 0.084 1 1 1005 . 9 1 1 A 88 88 GLY HA2 H 94 3.694 4.150 -0.456 1 1 1006 . 9 1 1 A 88 88 GLY HA3 H 94 3.694 4.195 -0.501 1 1 1007 . 9 1 1 A 88 88 GLY C C 94 171.117 171.640 -0.523 1 1 1008 . 9 1 1 A 88 88 GLY CA C 94 46.575 45.734 0.841 1 1 1009 . 9 1 1 A 88 88 GLY N N 94 108.625 108.741 -0.116 1 1 1010 . 9 1 1 A 89 89 GLU H H 95 9.669 9.025 0.644 1 1 1011 . 9 1 1 A 89 89 GLU HA H 95 5.642 4.799 0.843 1 1 1016 . 9 1 1 A 89 89 GLU C C 95 173.226 175.949 -2.723 1 1 1017 . 9 1 1 A 89 89 GLU CA C 95 54.786 55.994 -1.208 1 1 1018 . 9 1 1 A 89 89 GLU CB C 95 34.334 31.867 2.467 1 1 1020 . 9 1 1 A 89 89 GLU N N 95 128.231 120.602 7.629 1 1 1021 . 9 1 1 A 90 90 PHE H H 96 10.365 8.941 1.424 1 1 1022 . 9 1 1 A 90 90 PHE HA H 96 5.048 4.913 0.135 1 1 1029 . 9 1 1 A 90 90 PHE C C 96 173.039 173.857 -0.818 1 1 1030 . 9 1 1 A 90 90 PHE CA C 96 54.616 57.534 -2.918 1 1 1031 . 9 1 1 A 90 90 PHE CB C 96 42.090 41.478 0.612 1 1 1032 . 9 1 1 A 90 90 PHE N N 96 131.583 123.172 8.411 1 1 1033 . 9 1 1 A 91 91 GLN H H 97 8.685 8.523 0.162 1 1 1034 . 9 1 1 A 91 91 GLN HA H 97 4.959 4.734 0.225 1 1 1041 . 9 1 1 A 91 91 GLN C C 97 174.151 174.831 -0.680 1 1 1042 . 9 1 1 A 91 91 GLN CA C 97 53.174 55.407 -2.233 1 1 1043 . 9 1 1 A 91 91 GLN CB C 97 28.812 29.649 -0.837 1 1 1045 . 9 1 1 A 91 91 GLN N N 97 126.465 125.757 0.708 1 1 1047 . 9 1 1 A 92 92 VAL H H 98 8.675 8.836 -0.161 1 1 1048 . 9 1 1 A 92 92 VAL HA H 98 4.569 4.650 -0.081 1 1 1056 . 9 1 1 A 92 92 VAL C C 98 173.802 174.336 -0.534 1 1 1057 . 9 1 1 A 92 92 VAL CA C 98 59.715 61.333 -1.618 1 1 1058 . 9 1 1 A 92 92 VAL CB C 98 35.074 33.245 1.829 1 1 1061 . 9 1 1 A 92 92 VAL N N 98 118.841 125.317 -6.476 1 1 1062 . 9 1 1 A 93 93 TYR H H 99 8.896 8.827 0.069 1 1 1063 . 9 1 1 A 93 93 TYR HA H 99 4.940 4.769 0.171 1 1 1070 . 9 1 1 A 93 93 TYR C C 99 173.330 175.222 -1.892 1 1 1071 . 9 1 1 A 93 93 TYR CA C 99 56.948 57.888 -0.940 1 1 1072 . 9 1 1 A 93 93 TYR CB C 99 40.780 39.932 0.848 1 1 1073 . 9 1 1 A 93 93 TYR N N 99 127.563 127.963 -0.400 1 1 1074 . 9 1 1 A 94 94 LYS H H 100 5.813 8.996 -3.183 1 1 1075 . 9 1 1 A 94 94 LYS HA H 100 4.248 5.249 -1.001 1 1 1082 . 9 1 1 A 94 94 LYS CA C 100 55.660 54.926 0.734 1 1 1083 . 9 1 1 A 94 94 LYS CB C 100 35.870 35.510 0.360 1 1 1084 . 9 1 1 A 94 94 LYS N N 100 128.378 123.788 4.590 1 1 1085 . 9 1 1 A 95 95 GLN H H 101 8.438 8.395 0.043 1 1 1086 . 9 1 1 A 95 95 GLN HA H 101 5.028 4.795 0.233 1 1 1091 . 9 1 1 A 95 95 GLN C C 101 174.080 175.394 -1.314 1 1 1092 . 9 1 1 A 95 95 GLN CA C 101 54.043 54.424 -0.381 1 1 1093 . 9 1 1 A 95 95 GLN CB C 101 27.209 31.530 -4.321 1 1 1095 . 9 1 1 A 95 95 GLN N N 101 125.809 122.607 3.202 1 1 1096 . 9 1 1 A 96 96 SER H H 102 9.057 8.760 0.297 1 1 1097 . 9 1 1 A 96 96 SER HA H 102 3.041 4.020 -0.979 1 1 1100 . 9 1 1 A 96 96 SER CA C 102 62.985 60.593 2.392 1 1 1101 . 9 1 1 A 96 96 SER CB C 102 63.242 61.537 1.705 1 1 1102 . 9 1 1 A 96 96 SER N N 102 117.650 115.476 2.174 1 1 1103 . 9 1 1 A 97 97 HIS H H 103 10.115 7.751 2.364 1 1 1104 . 9 1 1 A 97 97 HIS HA H 103 4.406 4.796 -0.390 1 1 1109 . 9 1 1 A 97 97 HIS CA C 103 53.809 55.279 -1.470 1 1 1110 . 9 1 1 A 97 97 HIS CB C 103 30.329 31.778 -1.449 1 1 1111 . 9 1 1 A 97 97 HIS N N 103 118.385 117.982 0.403 1 1 1112 . 9 1 1 A 98 98 SER H H 104 7.241 8.004 -0.763 1 1 1113 . 9 1 1 A 98 98 SER HA H 104 4.406 4.496 -0.090 1 1 1116 . 9 1 1 A 98 98 SER CA C 104 56.712 57.883 -1.171 1 1 1117 . 9 1 1 A 98 98 SER CB C 104 65.461 65.185 0.276 1 1 1118 . 9 1 1 A 98 98 SER N N 104 112.298 115.964 -3.666 1 1 1119 . 9 1 1 A 99 99 ALA H H 105 8.418 8.920 -0.502 1 1 1120 . 9 1 1 A 99 99 ALA HA H 105 4.753 5.193 -0.440 1 1 1124 . 9 1 1 A 99 99 ALA C C 105 173.181 176.001 -2.820 1 1 1125 . 9 1 1 A 99 99 ALA CA C 105 51.363 51.621 -0.258 1 1 1126 . 9 1 1 A 99 99 ALA CB C 105 22.271 23.464 -1.193 1 1 1127 . 9 1 1 A 99 99 ALA N N 105 116.790 123.120 -6.330 1 1 1128 . 9 1 1 A 100 100 LEU H H 106 8.376 8.411 -0.035 1 1 1129 . 9 1 1 A 100 100 LEU HA H 106 5.549 5.382 0.167 1 1 1139 . 9 1 1 A 100 100 LEU C C 106 175.338 174.855 0.483 1 1 1140 . 9 1 1 A 100 100 LEU CA C 106 53.753 53.021 0.732 1 1 1141 . 9 1 1 A 100 100 LEU CB C 106 46.393 46.425 -0.032 1 1 1145 . 9 1 1 A 100 100 LEU N N 106 115.214 117.052 -1.838 1 1 1146 . 9 1 1 A 101 101 THR H H 107 8.685 8.742 -0.057 1 1 1147 . 9 1 1 A 101 101 THR HA H 107 5.287 5.067 0.220 1 1 1152 . 9 1 1 A 101 101 THR C C 107 172.493 173.053 -0.560 1 1 1153 . 9 1 1 A 101 101 THR CA C 107 57.069 59.550 -2.481 1 1 1154 . 9 1 1 A 101 101 THR CB C 107 71.308 71.659 -0.351 1 1 1156 . 9 1 1 A 101 101 THR N N 107 109.441 116.401 -6.960 1 1 1157 . 9 1 1 A 102 102 ALA H H 108 8.459 8.082 0.377 1 1 1158 . 9 1 1 A 102 102 ALA HA H 108 4.366 5.115 -0.749 1 1 1162 . 9 1 1 A 102 102 ALA C C 108 173.439 175.645 -2.206 1 1 1163 . 9 1 1 A 102 102 ALA CA C 108 51.015 50.704 0.311 1 1 1164 . 9 1 1 A 102 102 ALA CB C 108 23.424 23.205 0.219 1 1 1165 . 9 1 1 A 102 102 ALA N N 108 120.716 126.525 -5.809 1 1 1166 . 9 1 1 A 103 103 PHE H H 109 8.510 8.857 -0.347 1 1 1167 . 9 1 1 A 103 103 PHE HA H 109 4.715 5.041 -0.326 1 1 1175 . 9 1 1 A 103 103 PHE C C 109 174.173 174.987 -0.814 1 1 1176 . 9 1 1 A 103 103 PHE CA C 109 56.640 56.558 0.082 1 1 1177 . 9 1 1 A 103 103 PHE CB C 109 41.926 41.443 0.483 1 1 1178 . 9 1 1 A 103 103 PHE N N 109 115.041 119.697 -4.656 1 1 1179 . 9 1 1 A 104 104 GLN H H 110 9.832 8.429 1.403 1 1 1180 . 9 1 1 A 104 104 GLN HA H 110 5.226 4.756 0.470 1 1 1187 . 9 1 1 A 104 104 GLN C C 110 175.186 174.343 0.843 1 1 1188 . 9 1 1 A 104 104 GLN CA C 110 53.213 55.613 -2.400 1 1 1189 . 9 1 1 A 104 104 GLN CB C 110 29.161 29.358 -0.197 1 1 1191 . 9 1 1 A 104 104 GLN N N 110 124.526 122.099 2.427 1 1 1193 . 9 1 1 A 105 105 THR H H 111 9.566 8.769 0.797 1 1 1194 . 9 1 1 A 105 105 THR HA H 111 4.186 4.651 -0.465 1 1 1199 . 9 1 1 A 105 105 THR C C 111 174.538 173.830 0.708 1 1 1200 . 9 1 1 A 105 105 THR CA C 111 66.408 61.284 5.124 1 1 1201 . 9 1 1 A 105 105 THR CB C 111 69.385 70.020 -0.635 1 1 1203 . 9 1 1 A 105 105 THR N N 111 126.760 121.495 5.265 1 1 1204 . 9 1 1 A 106 106 GLU H H 112 9.303 9.073 0.230 1 1 1205 . 9 1 1 A 106 106 GLU HA H 112 4.811 4.717 0.094 1 1 1210 . 9 1 1 A 106 106 GLU C C 112 177.397 176.437 0.960 1 1 1211 . 9 1 1 A 106 106 GLU CA C 112 56.227 57.283 -1.056 1 1 1212 . 9 1 1 A 106 106 GLU CB C 112 31.283 32.323 -1.040 1 1 1214 . 9 1 1 A 106 106 GLU N N 112 121.685 124.021 -2.336 1 1 1215 . 9 1 1 A 107 107 GLN H H 113 7.954 7.691 0.263 1 1 1216 . 9 1 1 A 107 107 GLN HA H 113 5.233 5.056 0.177 1 1 1221 . 9 1 1 A 107 107 GLN C C 113 173.999 174.675 -0.676 1 1 1222 . 9 1 1 A 107 107 GLN CA C 113 53.837 54.828 -0.991 1 1 1223 . 9 1 1 A 107 107 GLN CB C 113 32.543 31.843 0.700 1 1 1225 . 9 1 1 A 107 107 GLN N N 113 117.612 116.789 0.823 1 1 1226 . 9 1 1 A 108 108 ILE H H 114 8.969 8.834 0.135 1 1 1227 . 9 1 1 A 108 108 ILE HA H 114 4.907 4.831 0.076 1 1 1237 . 9 1 1 A 108 108 ILE C C 114 174.089 174.610 -0.521 1 1 1238 . 9 1 1 A 108 108 ILE CA C 114 58.954 58.649 0.305 1 1 1239 . 9 1 1 A 108 108 ILE CB C 114 42.799 42.023 0.776 1 1 1243 . 9 1 1 A 108 108 ILE N N 114 115.049 118.735 -3.686 1 1 1244 . 9 1 1 A 109 109 GLN H H 115 7.421 7.914 -0.493 1 1 1245 . 9 1 1 A 109 109 GLN HA H 115 4.405 4.604 -0.199 1 1 1252 . 9 1 1 A 109 109 GLN C C 115 175.654 174.758 0.896 1 1 1253 . 9 1 1 A 109 109 GLN CA C 115 56.086 56.669 -0.583 1 1 1254 . 9 1 1 A 109 109 GLN CB C 115 28.483 29.364 -0.881 1 1 1256 . 9 1 1 A 109 109 GLN N N 115 121.959 121.922 0.037 1 1 1258 . 9 1 1 A 110 110 ASP H H 116 8.569 8.692 -0.123 1 1 1259 . 9 1 1 A 110 110 ASP HA H 116 4.377 5.217 -0.840 1 1 1262 . 9 1 1 A 110 110 ASP C C 116 176.662 175.178 1.484 1 1 1263 . 9 1 1 A 110 110 ASP CA C 116 53.511 53.040 0.471 1 1 1264 . 9 1 1 A 110 110 ASP CB C 116 41.187 43.944 -2.757 1 1 1265 . 9 1 1 A 110 110 ASP N N 116 125.621 123.127 2.494 1 1 1266 . 9 1 1 A 111 111 SER H H 117 8.445 8.720 -0.275 1 1 1267 . 9 1 1 A 111 111 SER HA H 117 4.024 4.577 -0.553 1 1 1270 . 9 1 1 A 111 111 SER C C 117 174.783 175.035 -0.252 1 1 1271 . 9 1 1 A 111 111 SER CA C 117 60.782 59.277 1.505 1 1 1272 . 9 1 1 A 111 111 SER CB C 117 62.560 64.088 -1.528 1 1 1273 . 9 1 1 A 111 111 SER N N 117 120.732 119.875 0.857 1 1 1274 . 9 1 1 A 112 112 GLU H H 118 8.246 8.277 -0.031 1 1 1275 . 9 1 1 A 112 112 GLU HA H 118 4.044 4.365 -0.321 1 1 1280 . 9 1 1 A 112 112 GLU C C 118 175.899 177.431 -1.532 1 1 1281 . 9 1 1 A 112 112 GLU CA C 118 56.016 56.703 -0.687 1 1 1282 . 9 1 1 A 112 112 GLU CB C 118 29.853 29.981 -0.128 1 1 1284 . 9 1 1 A 112 112 GLU N N 118 119.367 118.041 1.326 1 1 1285 . 9 1 1 A 113 113 HIS H H 119 7.418 7.930 -0.512 1 1 1286 . 9 1 1 A 113 113 HIS HA H 119 4.607 4.597 0.010 1 1 1291 . 9 1 1 A 113 113 HIS C C 119 173.527 174.906 -1.379 1 1 1292 . 9 1 1 A 113 113 HIS CA C 119 54.515 57.568 -3.053 1 1 1293 . 9 1 1 A 113 113 HIS CB C 119 28.667 30.570 -1.903 1 1 1294 . 9 1 1 A 113 113 HIS N N 119 117.287 119.016 -1.729 1 1 1295 . 9 1 1 A 114 114 SER H H 120 8.398 8.262 0.136 1 1 1296 . 9 1 1 A 114 114 SER HA H 120 4.183 4.012 0.171 1 1 1299 . 9 1 1 A 114 114 SER C C 120 175.690 173.776 1.914 1 1 1300 . 9 1 1 A 114 114 SER CA C 120 59.149 59.332 -0.183 1 1 1301 . 9 1 1 A 114 114 SER CB C 120 62.820 62.096 0.724 1 1 1302 . 9 1 1 A 114 114 SER N N 120 116.771 114.479 2.292 1 1 1303 . 9 1 1 A 115 115 GLY H H 121 8.733 8.248 0.485 1 1 1304 . 9 1 1 A 115 115 GLY HA2 H 121 4.052 3.898 0.154 1 1 1305 . 9 1 1 A 115 115 GLY HA3 H 121 3.724 3.902 -0.178 1 1 1306 . 9 1 1 A 115 115 GLY C C 121 173.540 173.700 -0.160 1 1 1307 . 9 1 1 A 115 115 GLY CA C 121 44.692 46.462 -1.770 1 1 1308 . 9 1 1 A 115 115 GLY N N 121 112.197 107.492 4.705 1 1 1309 . 9 1 1 A 116 116 LYS H H 122 7.796 7.314 0.482 1 1 1310 . 9 1 1 A 116 116 LYS HA H 122 4.465 4.837 -0.372 1 1 1317 . 9 1 1 A 116 116 LYS C C 122 175.090 174.320 0.770 1 1 1318 . 9 1 1 A 116 116 LYS CA C 122 55.122 54.287 0.835 1 1 1319 . 9 1 1 A 116 116 LYS CB C 122 33.861 36.331 -2.470 1 1 1322 . 9 1 1 A 116 116 LYS N N 122 120.212 119.016 1.196 1 1 1323 . 9 1 1 A 117 117 MET H H 123 8.348 8.692 -0.344 1 1 1324 . 9 1 1 A 117 117 MET HA H 123 5.082 5.422 -0.340 1 1 1332 . 9 1 1 A 117 117 MET C C 123 176.210 175.231 0.979 1 1 1333 . 9 1 1 A 117 117 MET CA C 123 52.928 53.911 -0.983 1 1 1334 . 9 1 1 A 117 117 MET CB C 123 33.841 35.672 -1.831 1 1 1337 . 9 1 1 A 117 117 MET N N 123 119.755 121.131 -1.376 1 1 1338 . 9 1 1 A 118 118 VAL H H 124 9.242 9.159 0.083 1 1 1339 . 9 1 1 A 118 118 VAL HA H 124 4.469 4.983 -0.514 1 1 1347 . 9 1 1 A 118 118 VAL C C 124 173.967 174.175 -0.208 1 1 1348 . 9 1 1 A 118 118 VAL CA C 124 59.056 59.267 -0.211 1 1 1349 . 9 1 1 A 118 118 VAL CB C 124 34.376 35.501 -1.125 1 1 1351 . 9 1 1 A 118 118 VAL N N 124 118.546 119.524 -0.978 1 1 1352 . 9 1 1 A 119 119 ALA H H 125 8.327 8.898 -0.571 1 1 1353 . 9 1 1 A 119 119 ALA HA H 125 4.624 5.121 -0.497 1 1 1357 . 9 1 1 A 119 119 ALA C C 125 177.165 175.819 1.346 1 1 1358 . 9 1 1 A 119 119 ALA CA C 125 52.043 50.602 1.441 1 1 1359 . 9 1 1 A 119 119 ALA CB C 125 18.232 19.868 -1.636 1 1 1360 . 9 1 1 A 119 119 ALA N N 125 125.947 125.426 0.521 1 1 1361 . 9 1 1 A 120 120 LYS H H 126 7.604 8.677 -1.073 1 1 1362 . 9 1 1 A 120 120 LYS HA H 126 4.046 4.849 -0.803 1 1 1371 . 9 1 1 A 120 120 LYS C C 126 172.631 175.775 -3.144 1 1 1372 . 9 1 1 A 120 120 LYS CA C 126 56.023 54.783 1.240 1 1 1373 . 9 1 1 A 120 120 LYS CB C 126 34.482 34.069 0.413 1 1 1377 . 9 1 1 A 120 120 LYS N N 126 126.149 123.108 3.041 1 1 1378 . 9 1 1 A 121 121 ARG H H 127 8.308 8.763 -0.455 1 1 1379 . 9 1 1 A 121 121 ARG HA H 127 4.901 4.719 0.182 1 1 1384 . 9 1 1 A 121 121 ARG C C 127 176.253 175.421 0.832 1 1 1385 . 9 1 1 A 121 121 ARG CA C 127 55.564 55.611 -0.047 1 1 1386 . 9 1 1 A 121 121 ARG CB C 127 28.273 28.744 -0.471 1 1 1388 . 9 1 1 A 121 121 ARG N N 127 122.760 124.543 -1.783 1 1 1389 . 9 1 1 A 122 122 GLN H H 128 7.529 8.911 -1.382 1 1 1390 . 9 1 1 A 122 122 GLN HA H 128 4.541 4.758 -0.217 1 1 1397 . 9 1 1 A 122 122 GLN C C 128 172.163 174.972 -2.809 1 1 1398 . 9 1 1 A 122 122 GLN CA C 128 54.218 54.793 -0.575 1 1 1399 . 9 1 1 A 122 122 GLN CB C 128 32.064 29.549 2.515 1 1 1401 . 9 1 1 A 122 122 GLN N N 128 121.022 124.050 -3.028 1 1 1403 . 9 1 1 A 123 123 PHE H H 129 8.620 9.211 -0.591 1 1 1404 . 9 1 1 A 123 123 PHE HA H 129 6.040 5.259 0.781 1 1 1411 . 9 1 1 A 123 123 PHE C C 129 174.530 174.838 -0.308 1 1 1412 . 9 1 1 A 123 123 PHE CA C 129 56.026 58.206 -2.180 1 1 1413 . 9 1 1 A 123 123 PHE CB C 129 42.143 40.936 1.207 1 1 1414 . 9 1 1 A 123 123 PHE N N 129 125.540 128.718 -3.178 1 1 1415 . 9 1 1 A 124 124 ARG H H 130 8.018 8.502 -0.484 1 1 1416 . 9 1 1 A 124 124 ARG HA H 130 4.366 4.536 -0.170 1 1 1423 . 9 1 1 A 124 124 ARG C C 130 172.139 174.237 -2.098 1 1 1424 . 9 1 1 A 124 124 ARG CA C 130 53.422 53.918 -0.496 1 1 1425 . 9 1 1 A 124 124 ARG CB C 130 32.310 34.328 -2.018 1 1 1428 . 9 1 1 A 124 124 ARG N N 130 125.264 126.864 -1.600 1 1 1429 . 9 1 1 A 125 125 ILE H H 131 8.462 8.337 0.125 1 1 1430 . 9 1 1 A 125 125 ILE HA H 131 3.883 4.313 -0.430 1 1 1440 . 9 1 1 A 125 125 ILE C C 131 175.487 175.258 0.229 1 1 1441 . 9 1 1 A 125 125 ILE CA C 131 58.339 61.828 -3.489 1 1 1442 . 9 1 1 A 125 125 ILE CB C 131 35.673 38.834 -3.161 1 1 1446 . 9 1 1 A 125 125 ILE N N 131 121.887 124.525 -2.638 1 1 1447 . 9 1 1 A 126 126 GLY H H 132 8.814 8.053 0.761 1 1 1448 . 9 1 1 A 126 126 GLY HA2 H 132 4.062 4.265 -0.203 1 1 1449 . 9 1 1 A 126 126 GLY HA3 H 132 4.062 4.301 -0.239 1 1 1450 . 9 1 1 A 126 126 GLY C C 132 171.583 173.068 -1.485 1 1 1451 . 9 1 1 A 126 126 GLY CA C 132 44.157 44.694 -0.537 1 1 1452 . 9 1 1 A 126 126 GLY N N 132 115.675 114.249 1.426 1 1 1453 . 9 1 1 A 127 127 ASP H H 133 7.914 8.621 -0.707 1 1 1454 . 9 1 1 A 127 127 ASP HA H 133 4.584 4.705 -0.121 1 1 1457 . 9 1 1 A 127 127 ASP C C 133 174.132 175.923 -1.791 1 1 1458 . 9 1 1 A 127 127 ASP CA C 133 54.822 55.022 -0.200 1 1 1459 . 9 1 1 A 127 127 ASP CB C 133 45.407 41.413 3.994 1 1 1460 . 9 1 1 A 127 127 ASP N N 133 123.737 120.903 2.834 1 1 1461 . 9 1 1 A 128 128 ILE H H 134 8.258 9.036 -0.778 1 1 1462 . 9 1 1 A 128 128 ILE HA H 134 4.392 4.590 -0.198 1 1 1472 . 9 1 1 A 128 128 ILE C C 134 174.799 175.296 -0.497 1 1 1473 . 9 1 1 A 128 128 ILE CA C 134 61.596 60.231 1.365 1 1 1474 . 9 1 1 A 128 128 ILE CB C 134 37.549 38.553 -1.004 1 1 1478 . 9 1 1 A 128 128 ILE N N 134 119.105 125.129 -6.024 1 1 1479 . 9 1 1 A 129 129 ALA H H 135 8.607 8.905 -0.298 1 1 1480 . 9 1 1 A 129 129 ALA HA H 135 4.757 5.085 -0.328 1 1 1484 . 9 1 1 A 129 129 ALA C C 135 173.358 177.070 -3.712 1 1 1485 . 9 1 1 A 129 129 ALA CA C 135 50.608 50.844 -0.236 1 1 1486 . 9 1 1 A 129 129 ALA CB C 135 23.348 21.163 2.185 1 1 1487 . 9 1 1 A 129 129 ALA N N 135 129.336 131.594 -2.258 1 1 1488 . 9 1 1 A 130 130 GLY H H 136 7.514 8.225 -0.711 1 1 1489 . 9 1 1 A 130 130 GLY HA2 H 136 3.551 3.062 0.489 1 1 1490 . 9 1 1 A 130 130 GLY HA3 H 136 4.422 3.857 0.565 1 1 1491 . 9 1 1 A 130 130 GLY C C 136 172.609 171.721 0.888 1 1 1492 . 9 1 1 A 130 130 GLY CA C 136 44.315 45.225 -0.910 1 1 1493 . 9 1 1 A 130 130 GLY N N 136 101.232 108.174 -6.942 1 1 1494 . 9 1 1 A 131 131 GLU H H 137 8.225 8.161 0.064 1 1 1495 . 9 1 1 A 131 131 GLU HA H 137 4.540 4.476 0.064 1 1 1500 . 9 1 1 A 131 131 GLU C C 137 174.864 175.936 -1.072 1 1 1501 . 9 1 1 A 131 131 GLU CA C 137 53.120 56.277 -3.157 1 1 1502 . 9 1 1 A 131 131 GLU CB C 137 28.254 29.983 -1.729 1 1 1504 . 9 1 1 A 131 131 GLU N N 137 121.002 120.346 0.656 1 1 1505 . 9 1 1 A 132 132 HIS H H 138 8.054 8.884 -0.830 1 1 1506 . 9 1 1 A 132 132 HIS HA H 138 4.771 4.930 -0.159 1 1 1511 . 9 1 1 A 132 132 HIS C C 138 175.411 175.440 -0.029 1 1 1512 . 9 1 1 A 132 132 HIS CA C 138 57.942 56.895 1.047 1 1 1513 . 9 1 1 A 132 132 HIS CB C 138 27.710 30.403 -2.693 1 1 1514 . 9 1 1 A 132 132 HIS N N 138 124.204 124.662 -0.458 1 1 1515 . 9 1 1 A 133 133 THR H H 139 9.056 8.888 0.168 1 1 1516 . 9 1 1 A 133 133 THR HA H 139 3.864 5.045 -1.181 1 1 1521 . 9 1 1 A 133 133 THR C C 139 174.178 173.955 0.223 1 1 1522 . 9 1 1 A 133 133 THR CA C 139 63.225 59.798 3.427 1 1 1523 . 9 1 1 A 133 133 THR CB C 139 68.127 71.972 -3.845 1 1 1525 . 9 1 1 A 133 133 THR N N 139 125.345 115.031 10.314 1 1 1526 . 9 1 1 A 134 134 SER H H 140 8.834 8.819 0.015 1 1 1527 . 9 1 1 A 134 134 SER HA H 140 4.560 4.535 0.025 1 1 1530 . 9 1 1 A 134 134 SER C C 140 176.713 176.179 0.534 1 1 1531 . 9 1 1 A 134 134 SER CA C 140 57.961 60.070 -2.109 1 1 1532 . 9 1 1 A 134 134 SER CB C 140 63.030 63.593 -0.563 1 1 1533 . 9 1 1 A 134 134 SER N N 140 121.791 119.851 1.940 1 1 1534 . 9 1 1 A 135 135 PHE H H 141 9.597 8.575 1.022 1 1 1535 . 9 1 1 A 135 135 PHE HA H 141 3.953 4.407 -0.454 1 1 1542 . 9 1 1 A 135 135 PHE C C 141 175.375 176.792 -1.417 1 1 1543 . 9 1 1 A 135 135 PHE CA C 141 61.339 59.996 1.343 1 1 1544 . 9 1 1 A 135 135 PHE CB C 141 39.394 38.248 1.146 1 1 1545 . 9 1 1 A 135 135 PHE N N 141 128.822 122.859 5.963 1 1 1546 . 9 1 1 A 136 136 ASP H H 142 8.017 7.389 0.628 1 1 1547 . 9 1 1 A 136 136 ASP HA H 142 4.352 4.468 -0.116 1 1 1550 . 9 1 1 A 136 136 ASP C C 142 175.358 176.869 -1.511 1 1 1551 . 9 1 1 A 136 136 ASP CA C 142 55.223 55.637 -0.414 1 1 1552 . 9 1 1 A 136 136 ASP CB C 142 40.968 39.907 1.061 1 1 1553 . 9 1 1 A 136 136 ASP N N 142 113.108 120.351 -7.243 1 1 1554 . 9 1 1 A 137 137 LYS H H 143 7.340 7.645 -0.305 1 1 1555 . 9 1 1 A 137 137 LYS HA H 143 4.439 4.399 0.040 1 1 1564 . 9 1 1 A 137 137 LYS C C 143 175.571 176.385 -0.814 1 1 1565 . 9 1 1 A 137 137 LYS CA C 143 54.096 56.120 -2.024 1 1 1566 . 9 1 1 A 137 137 LYS CB C 143 32.545 33.944 -1.399 1 1 1570 . 9 1 1 A 137 137 LYS N N 143 117.716 117.882 -0.166 1 1 1571 . 9 1 1 A 138 138 LEU H H 144 6.698 7.416 -0.718 1 1 1572 . 9 1 1 A 138 138 LEU HA H 144 3.903 4.458 -0.555 1 1 1582 . 9 1 1 A 138 138 LEU C C 144 174.123 175.421 -1.298 1 1 1583 . 9 1 1 A 138 138 LEU CA C 144 52.843 53.196 -0.353 1 1 1584 . 9 1 1 A 138 138 LEU CB C 144 40.993 40.752 0.241 1 1 1588 . 9 1 1 A 138 138 LEU N N 144 120.536 121.095 -0.559 1 1 1589 . 9 1 1 A 139 139 PRO HA H 145 4.040 4.717 -0.677 1 1 1596 . 9 1 1 A 139 139 PRO C C 145 172.700 176.064 -3.364 1 1 1597 . 9 1 1 A 139 139 PRO CA C 145 62.654 62.444 0.210 1 1 1598 . 9 1 1 A 139 139 PRO CB C 145 30.086 32.983 -2.897 1 1 1601 . 9 1 1 A 140 140 GLU H H 146 8.343 8.747 -0.404 1 1 1602 . 9 1 1 A 140 140 GLU HA H 146 3.970 4.731 -0.761 1 1 1607 . 9 1 1 A 140 140 GLU C C 146 176.009 175.592 0.417 1 1 1608 . 9 1 1 A 140 140 GLU CA C 146 56.119 55.637 0.482 1 1 1609 . 9 1 1 A 140 140 GLU CB C 146 30.086 30.486 -0.400 1 1 1611 . 9 1 1 A 140 140 GLU N N 146 119.063 121.071 -2.008 1 1 1612 . 9 1 1 A 141 141 GLY H H 147 7.241 7.688 -0.447 1 1 1613 . 9 1 1 A 141 141 GLY HA2 H 147 3.918 4.132 -0.214 1 1 1614 . 9 1 1 A 141 141 GLY HA3 H 147 3.814 4.168 -0.354 1 1 1615 . 9 1 1 A 141 141 GLY C C 147 171.657 173.002 -1.345 1 1 1616 . 9 1 1 A 141 141 GLY CA C 147 43.929 45.829 -1.900 1 1 1617 . 9 1 1 A 141 141 GLY N N 147 104.270 108.647 -4.377 1 1 1618 . 9 1 1 A 142 142 GLY H H 148 8.241 8.494 -0.253 1 1 1619 . 9 1 1 A 142 142 GLY HA2 H 148 3.710 4.116 -0.406 1 1 1620 . 9 1 1 A 142 142 GLY HA3 H 148 4.350 4.116 0.234 1 1 1621 . 9 1 1 A 142 142 GLY C C 148 171.767 173.183 -1.416 1 1 1622 . 9 1 1 A 142 142 GLY CA C 148 43.649 44.641 -0.992 1 1 1623 . 9 1 1 A 142 142 GLY N N 148 106.996 108.702 -1.706 1 1 1624 . 9 1 1 A 143 143 ARG H H 149 8.214 8.228 -0.014 1 1 1625 . 9 1 1 A 143 143 ARG HA H 149 5.376 5.415 -0.039 1 1 1632 . 9 1 1 A 143 143 ARG C C 149 174.981 174.520 0.461 1 1 1633 . 9 1 1 A 143 143 ARG CA C 149 54.235 53.804 0.431 1 1 1634 . 9 1 1 A 143 143 ARG CB C 149 32.988 34.456 -1.468 1 1 1637 . 9 1 1 A 143 143 ARG N N 149 117.762 116.550 1.212 1 1 1638 . 9 1 1 A 144 144 ALA H H 150 9.030 8.568 0.462 1 1 1639 . 9 1 1 A 144 144 ALA HA H 150 4.730 5.103 -0.373 1 1 1643 . 9 1 1 A 144 144 ALA C C 150 175.012 175.587 -0.575 1 1 1644 . 9 1 1 A 144 144 ALA CA C 150 50.732 50.525 0.207 1 1 1645 . 9 1 1 A 144 144 ALA CB C 150 23.448 21.958 1.490 1 1 1646 . 9 1 1 A 144 144 ALA N N 150 126.630 121.583 5.047 1 1 1647 . 9 1 1 A 145 145 THR H H 151 8.560 8.450 0.110 1 1 1648 . 9 1 1 A 145 145 THR HA H 151 4.846 4.565 0.281 1 1 1653 . 9 1 1 A 145 145 THR C C 151 171.870 173.384 -1.514 1 1 1654 . 9 1 1 A 145 145 THR CA C 151 61.997 62.399 -0.402 1 1 1655 . 9 1 1 A 145 145 THR CB C 151 69.746 69.927 -0.181 1 1 1657 . 9 1 1 A 145 145 THR N N 151 117.942 118.034 -0.092 1 1 1658 . 9 1 1 A 146 146 TYR H H 152 10.008 8.893 1.115 1 1 1659 . 9 1 1 A 146 146 TYR HA H 152 4.580 5.201 -0.621 1 1 1666 . 9 1 1 A 146 146 TYR C C 152 174.627 174.326 0.301 1 1 1667 . 9 1 1 A 146 146 TYR CA C 152 55.835 56.164 -0.329 1 1 1668 . 9 1 1 A 146 146 TYR CB C 152 40.094 43.022 -2.928 1 1 1669 . 9 1 1 A 146 146 TYR N N 152 126.097 123.848 2.249 1 1 1670 . 9 1 1 A 147 147 ARG H H 153 8.860 8.995 -0.135 1 1 1671 . 9 1 1 A 147 147 ARG HA H 153 5.404 5.219 0.185 1 1 1678 . 9 1 1 A 147 147 ARG C C 153 177.446 175.502 1.944 1 1 1679 . 9 1 1 A 147 147 ARG CA C 153 54.024 54.551 -0.527 1 1 1680 . 9 1 1 A 147 147 ARG CB C 153 33.539 33.391 0.148 1 1 1683 . 9 1 1 A 147 147 ARG N N 153 121.042 123.700 -2.658 1 1 1684 . 9 1 1 A 148 148 GLY H H 154 8.916 8.227 0.689 1 1 1685 . 9 1 1 A 148 148 GLY HA2 H 154 4.816 4.265 0.551 1 1 1686 . 9 1 1 A 148 148 GLY HA3 H 154 4.422 4.292 0.130 1 1 1687 . 9 1 1 A 148 148 GLY C C 154 173.831 172.288 1.543 1 1 1688 . 9 1 1 A 148 148 GLY CA C 154 46.752 45.397 1.355 1 1 1689 . 9 1 1 A 148 148 GLY N N 154 114.154 112.446 1.708 1 1 1690 . 9 1 1 A 149 149 THR H H 155 9.063 8.479 0.584 1 1 1691 . 9 1 1 A 149 149 THR HA H 155 4.711 5.077 -0.366 1 1 1696 . 9 1 1 A 149 149 THR C C 155 170.370 172.930 -2.560 1 1 1697 . 9 1 1 A 149 149 THR CA C 155 62.316 61.254 1.062 1 1 1698 . 9 1 1 A 149 149 THR CB C 155 72.596 72.566 0.030 1 1 1700 . 9 1 1 A 149 149 THR N N 155 126.410 114.204 12.206 1 1 1701 . 9 1 1 A 150 150 ALA H H 156 7.091 9.018 -1.927 1 1 1702 . 9 1 1 A 150 150 ALA HA H 156 5.289 5.284 0.005 1 1 1706 . 9 1 1 A 150 150 ALA C C 156 173.965 176.540 -2.575 1 1 1707 . 9 1 1 A 150 150 ALA CA C 156 48.843 50.942 -2.099 1 1 1708 . 9 1 1 A 150 150 ALA CB C 156 22.573 21.534 1.039 1 1 1709 . 9 1 1 A 150 150 ALA N N 156 127.540 128.128 -0.588 1 1 1710 . 9 1 1 A 151 151 PHE H H 157 8.536 8.207 0.329 1 1 1711 . 9 1 1 A 151 151 PHE HA H 157 5.442 5.655 -0.213 1 1 1718 . 9 1 1 A 151 151 PHE C C 157 171.891 173.363 -1.472 1 1 1719 . 9 1 1 A 151 151 PHE CA C 157 53.282 55.600 -2.318 1 1 1720 . 9 1 1 A 151 151 PHE CB C 157 41.020 41.865 -0.845 1 1 1721 . 9 1 1 A 151 151 PHE N N 157 117.013 115.750 1.263 1 1 1722 . 9 1 1 A 152 152 GLY H H 158 8.548 8.563 -0.015 1 1 1723 . 9 1 1 A 152 152 GLY HA2 H 158 4.003 3.184 0.819 1 1 1724 . 9 1 1 A 152 152 GLY HA3 H 158 3.124 3.978 -0.854 1 1 1725 . 9 1 1 A 152 152 GLY C C 158 173.148 174.052 -0.904 1 1 1726 . 9 1 1 A 152 152 GLY CA C 158 42.630 44.256 -1.626 1 1 1727 . 9 1 1 A 152 152 GLY N N 158 108.356 108.384 -0.028 1 1 1728 . 9 1 1 A 153 153 SER H H 159 7.610 8.193 -0.583 1 1 1729 . 9 1 1 A 153 153 SER HA H 159 3.421 4.080 -0.659 1 1 1732 . 9 1 1 A 153 153 SER C C 159 176.057 174.432 1.625 1 1 1733 . 9 1 1 A 153 153 SER CA C 159 58.787 60.863 -2.076 1 1 1734 . 9 1 1 A 153 153 SER CB C 159 61.886 62.820 -0.934 1 1 1735 . 9 1 1 A 153 153 SER N N 159 115.173 114.189 0.984 1 1 1736 . 9 1 1 A 154 154 ASP H H 160 9.894 8.148 1.746 1 1 1737 . 9 1 1 A 154 154 ASP HA H 160 4.168 4.891 -0.723 1 1 1740 . 9 1 1 A 154 154 ASP C C 160 175.191 175.752 -0.561 1 1 1741 . 9 1 1 A 154 154 ASP CA C 160 55.398 54.028 1.370 1 1 1742 . 9 1 1 A 154 154 ASP CB C 160 39.212 43.054 -3.842 1 1 1743 . 9 1 1 A 154 154 ASP N N 160 124.828 117.552 7.276 1 1 1744 . 9 1 1 A 155 155 ASP H H 161 7.520 7.783 -0.263 1 1 1745 . 9 1 1 A 155 155 ASP HA H 161 4.568 4.773 -0.205 1 1 1748 . 9 1 1 A 155 155 ASP C C 161 172.658 176.986 -4.328 1 1 1749 . 9 1 1 A 155 155 ASP CA C 161 54.342 52.702 1.640 1 1 1750 . 9 1 1 A 155 155 ASP CB C 161 40.619 39.866 0.753 1 1 1751 . 9 1 1 A 155 155 ASP N N 161 116.749 120.061 -3.312 1 1 1752 . 9 1 1 A 156 156 ALA H H 162 8.544 8.139 0.405 1 1 1753 . 9 1 1 A 156 156 ALA HA H 162 4.916 4.361 0.555 1 1 1757 . 9 1 1 A 156 156 ALA C C 162 177.708 177.998 -0.290 1 1 1758 . 9 1 1 A 156 156 ALA CA C 162 49.878 52.428 -2.550 1 1 1759 . 9 1 1 A 156 156 ALA CB C 162 17.473 17.648 -0.175 1 1 1760 . 9 1 1 A 156 156 ALA N N 162 128.246 125.806 2.440 1 1 1761 . 9 1 1 A 157 157 GLY H H 163 8.406 7.833 0.573 1 1 1762 . 9 1 1 A 157 157 GLY HA2 H 163 4.286 4.128 0.158 1 1 1763 . 9 1 1 A 157 157 GLY HA3 H 163 3.894 4.141 -0.247 1 1 1764 . 9 1 1 A 157 157 GLY C C 163 174.344 174.450 -0.106 1 1 1765 . 9 1 1 A 157 157 GLY CA C 163 45.049 45.551 -0.502 1 1 1766 . 9 1 1 A 157 157 GLY N N 163 106.545 104.894 1.651 1 1 1767 . 9 1 1 A 158 158 GLY H H 164 7.128 7.680 -0.552 1 1 1768 . 9 1 1 A 158 158 GLY HA2 H 164 4.118 4.037 0.081 1 1 1769 . 9 1 1 A 158 158 GLY HA3 H 164 3.641 4.062 -0.421 1 1 1770 . 9 1 1 A 158 158 GLY C C 164 173.903 172.998 0.905 1 1 1771 . 9 1 1 A 158 158 GLY CA C 164 45.225 45.266 -0.041 1 1 1772 . 9 1 1 A 158 158 GLY N N 164 106.404 107.829 -1.425 1 1 1773 . 9 1 1 A 159 159 LYS H H 165 9.647 8.430 1.217 1 1 1774 . 9 1 1 A 159 159 LYS HA H 165 5.052 5.005 0.047 1 1 1781 . 9 1 1 A 159 159 LYS C C 165 174.390 175.290 -0.900 1 1 1782 . 9 1 1 A 159 159 LYS CA C 165 53.501 54.727 -1.226 1 1 1783 . 9 1 1 A 159 159 LYS CB C 165 34.622 36.781 -2.159 1 1 1786 . 9 1 1 A 159 159 LYS N N 165 123.930 121.045 2.885 1 1 1787 . 9 1 1 A 160 160 LEU H H 166 7.706 8.694 -0.988 1 1 1788 . 9 1 1 A 160 160 LEU HA H 166 4.873 5.308 -0.435 1 1 1798 . 9 1 1 A 160 160 LEU C C 166 174.825 174.959 -0.134 1 1 1799 . 9 1 1 A 160 160 LEU CA C 166 52.677 53.479 -0.802 1 1 1800 . 9 1 1 A 160 160 LEU CB C 166 44.629 46.176 -1.547 1 1 1804 . 9 1 1 A 160 160 LEU N N 166 126.271 119.338 6.933 1 1 1805 . 9 1 1 A 161 161 THR H H 167 8.374 8.443 -0.069 1 1 1806 . 9 1 1 A 161 161 THR HA H 167 4.949 5.156 -0.207 1 1 1811 . 9 1 1 A 161 161 THR C C 167 172.102 173.918 -1.816 1 1 1812 . 9 1 1 A 161 161 THR CA C 167 61.761 61.487 0.274 1 1 1813 . 9 1 1 A 161 161 THR CB C 167 70.169 70.743 -0.574 1 1 1815 . 9 1 1 A 161 161 THR N N 167 122.977 115.482 7.495 1 1 1816 . 9 1 1 A 162 162 TYR H H 168 9.174 9.267 -0.093 1 1 1817 . 9 1 1 A 162 162 TYR HA H 168 4.766 5.336 -0.570 1 1 1824 . 9 1 1 A 162 162 TYR C C 168 172.249 175.267 -3.018 1 1 1825 . 9 1 1 A 162 162 TYR CA C 168 58.162 56.384 1.778 1 1 1826 . 9 1 1 A 162 162 TYR CB C 168 43.746 42.258 1.488 1 1 1827 . 9 1 1 A 162 162 TYR N N 168 128.112 125.817 2.295 1 1 1828 . 9 1 1 A 163 163 THR H H 169 8.711 8.441 0.270 1 1 1829 . 9 1 1 A 163 163 THR HA H 169 5.402 5.220 0.182 1 1 1834 . 9 1 1 A 163 163 THR C C 169 172.520 172.011 0.509 1 1 1835 . 9 1 1 A 163 163 THR CA C 169 60.804 60.045 0.759 1 1 1836 . 9 1 1 A 163 163 THR CB C 169 70.818 71.478 -0.660 1 1 1838 . 9 1 1 A 163 163 THR N N 169 124.549 115.132 9.417 1 1 1839 . 9 1 1 A 164 164 ILE H H 170 8.927 8.610 0.317 1 1 1840 . 9 1 1 A 164 164 ILE HA H 170 4.313 4.722 -0.409 1 1 1850 . 9 1 1 A 164 164 ILE C C 170 173.105 173.477 -0.372 1 1 1851 . 9 1 1 A 164 164 ILE CA C 170 60.595 59.712 0.883 1 1 1852 . 9 1 1 A 164 164 ILE CB C 170 41.274 41.123 0.151 1 1 1856 . 9 1 1 A 164 164 ILE N N 170 123.685 125.943 -2.258 1 1 1857 . 9 1 1 A 165 165 ASP H H 171 8.372 8.855 -0.483 1 1 1858 . 9 1 1 A 165 165 ASP HA H 171 4.750 4.721 0.029 1 1 1861 . 9 1 1 A 165 165 ASP C C 171 177.213 176.142 1.071 1 1 1862 . 9 1 1 A 165 165 ASP CA C 171 51.669 54.789 -3.120 1 1 1863 . 9 1 1 A 165 165 ASP CB C 171 41.730 40.305 1.425 1 1 1864 . 9 1 1 A 165 165 ASP N N 171 125.168 129.097 -3.929 1 1 1865 . 9 1 1 A 166 166 PHE H H 172 8.968 8.588 0.380 1 1 1866 . 9 1 1 A 166 166 PHE HA H 172 3.879 4.231 -0.352 1 1 1874 . 9 1 1 A 166 166 PHE C C 172 176.940 177.494 -0.554 1 1 1875 . 9 1 1 A 166 166 PHE CA C 172 61.543 61.212 0.331 1 1 1876 . 9 1 1 A 166 166 PHE CB C 172 37.424 38.360 -0.936 1 1 1877 . 9 1 1 A 166 166 PHE N N 172 123.597 121.404 2.193 1 1 1878 . 9 1 1 A 167 167 ALA H H 173 8.266 8.154 0.112 1 1 1879 . 9 1 1 A 167 167 ALA HA H 173 4.322 4.207 0.115 1 1 1883 . 9 1 1 A 167 167 ALA C C 173 178.888 179.338 -0.450 1 1 1884 . 9 1 1 A 167 167 ALA CA C 173 54.458 54.901 -0.443 1 1 1885 . 9 1 1 A 167 167 ALA CB C 173 17.591 18.415 -0.824 1 1 1886 . 9 1 1 A 167 167 ALA N N 173 122.113 121.887 0.226 1 1 1887 . 9 1 1 A 168 168 ALA H H 174 7.405 7.412 -0.007 1 1 1888 . 9 1 1 A 168 168 ALA HA H 174 4.096 4.334 -0.238 1 1 1892 . 9 1 1 A 168 168 ALA C C 174 176.605 177.232 -0.627 1 1 1893 . 9 1 1 A 168 168 ALA CA C 174 51.225 51.956 -0.731 1 1 1894 . 9 1 1 A 168 168 ALA CB C 174 18.307 19.381 -1.074 1 1 1895 . 9 1 1 A 168 168 ALA N N 174 118.760 118.770 -0.010 1 1 1896 . 9 1 1 A 169 169 LYS H H 175 7.906 8.037 -0.131 1 1 1897 . 9 1 1 A 169 169 LYS HA H 175 3.391 3.855 -0.464 1 1 1904 . 9 1 1 A 169 169 LYS C C 175 174.608 174.820 -0.212 1 1 1905 . 9 1 1 A 169 169 LYS CA C 175 57.049 57.476 -0.427 1 1 1906 . 9 1 1 A 169 169 LYS CB C 175 30.051 30.916 -0.865 1 1 1909 . 9 1 1 A 169 169 LYS N N 175 114.394 117.741 -3.347 1 1 1910 . 9 1 1 A 170 170 GLN H H 176 7.629 7.454 0.175 1 1 1911 . 9 1 1 A 170 170 GLN HA H 176 5.414 4.919 0.495 1 1 1918 . 9 1 1 A 170 170 GLN C C 176 174.325 174.336 -0.011 1 1 1919 . 9 1 1 A 170 170 GLN CA C 176 54.393 54.290 0.103 1 1 1920 . 9 1 1 A 170 170 GLN CB C 176 34.771 30.934 3.837 1 1 1922 . 9 1 1 A 170 170 GLN N N 176 116.433 118.242 -1.809 1 1 1924 . 9 1 1 A 171 171 GLY H H 177 8.854 9.149 -0.295 1 1 1925 . 9 1 1 A 171 171 GLY HA2 H 177 5.205 4.084 1.121 1 1 1926 . 9 1 1 A 171 171 GLY HA3 H 177 3.526 4.093 -0.567 1 1 1927 . 9 1 1 A 171 171 GLY C C 177 170.842 171.964 -1.122 1 1 1928 . 9 1 1 A 171 171 GLY CA C 177 44.621 44.795 -0.174 1 1 1929 . 9 1 1 A 171 171 GLY N N 177 110.189 112.465 -2.276 1 1 1930 . 9 1 1 A 172 172 ASN H H 178 7.637 8.402 -0.765 1 1 1931 . 9 1 1 A 172 172 ASN HA H 178 4.224 5.430 -1.206 1 1 1936 . 9 1 1 A 172 172 ASN C C 178 171.546 173.868 -2.322 1 1 1937 . 9 1 1 A 172 172 ASN CA C 178 53.729 50.670 3.059 1 1 1938 . 9 1 1 A 172 172 ASN CB C 178 41.543 41.348 0.195 1 1 1939 . 9 1 1 A 172 172 ASN N N 178 112.667 122.556 -9.889 1 1 1941 . 9 1 1 A 173 173 GLY H H 179 9.103 8.276 0.827 1 1 1942 . 9 1 1 A 173 173 GLY HA2 H 179 4.491 4.015 0.476 1 1 1943 . 9 1 1 A 173 173 GLY HA3 H 179 4.084 4.236 -0.152 1 1 1944 . 9 1 1 A 173 173 GLY C C 179 172.400 172.086 0.314 1 1 1945 . 9 1 1 A 173 173 GLY CA C 179 47.199 45.739 1.460 1 1 1946 . 9 1 1 A 173 173 GLY N N 179 106.686 108.374 -1.688 1 1 1947 . 9 1 1 A 174 174 LYS H H 180 9.179 8.808 0.371 1 1 1948 . 9 1 1 A 174 174 LYS HA H 180 4.821 5.070 -0.249 1 1 1957 . 9 1 1 A 174 174 LYS C C 180 172.518 174.255 -1.737 1 1 1958 . 9 1 1 A 174 174 LYS CA C 180 56.617 54.863 1.754 1 1 1959 . 9 1 1 A 174 174 LYS CB C 180 35.373 36.229 -0.856 1 1 1963 . 9 1 1 A 174 174 LYS N N 180 121.816 116.075 5.741 1 1 1964 . 9 1 1 A 175 175 ILE H H 181 8.351 8.419 -0.068 1 1 1965 . 9 1 1 A 175 175 ILE HA H 181 4.581 4.910 -0.329 1 1 1973 . 9 1 1 A 175 175 ILE C C 181 173.997 175.385 -1.388 1 1 1974 . 9 1 1 A 175 175 ILE CA C 181 60.490 59.562 0.928 1 1 1975 . 9 1 1 A 175 175 ILE CB C 181 39.573 39.769 -0.196 1 1 1978 . 9 1 1 A 175 175 ILE N N 181 123.400 123.420 -0.020 1 1 1979 . 9 1 1 A 176 176 GLU H H 182 8.492 9.061 -0.569 1 1 1980 . 9 1 1 A 176 176 GLU HA H 182 4.471 4.571 -0.100 1 1 1985 . 9 1 1 A 176 176 GLU C C 182 175.392 175.566 -0.174 1 1 1986 . 9 1 1 A 176 176 GLU CA C 182 53.410 55.558 -2.148 1 1 1987 . 9 1 1 A 176 176 GLU CB C 182 35.479 32.802 2.677 1 1 1989 . 9 1 1 A 176 176 GLU N N 182 122.287 125.802 -3.515 1 1 1990 . 9 1 1 A 177 177 HIS H H 183 8.431 8.903 -0.472 1 1 1991 . 9 1 1 A 177 177 HIS HA H 183 3.975 4.284 -0.309 1 1 1996 . 9 1 1 A 177 177 HIS C C 183 176.008 174.820 1.188 1 1 1997 . 9 1 1 A 177 177 HIS CA C 183 57.533 57.182 0.351 1 1 1998 . 9 1 1 A 177 177 HIS CB C 183 27.362 29.280 -1.918 1 1 1999 . 9 1 1 A 177 177 HIS N N 183 109.605 121.834 -12.229 1 1 2000 . 9 1 1 A 178 178 LEU H H 184 9.603 7.672 1.931 1 1 2001 . 9 1 1 A 178 178 LEU HA H 184 4.276 4.313 -0.037 1 1 2011 . 9 1 1 A 178 178 LEU C C 184 178.805 178.131 0.674 1 1 2012 . 9 1 1 A 178 178 LEU CA C 184 56.034 54.731 1.303 1 1 2013 . 9 1 1 A 178 178 LEU CB C 184 39.882 42.457 -2.575 1 1 2017 . 9 1 1 A 178 178 LEU N N 184 124.374 121.379 2.995 1 1 2018 . 9 1 1 A 179 179 LYS H H 185 10.002 8.602 1.400 1 1 2019 . 9 1 1 A 179 179 LYS HA H 185 3.682 3.993 -0.311 1 1 2028 . 9 1 1 A 179 179 LYS C C 185 177.660 176.911 0.749 1 1 2029 . 9 1 1 A 179 179 LYS CA C 185 57.721 58.945 -1.224 1 1 2030 . 9 1 1 A 179 179 LYS CB C 185 31.949 32.674 -0.725 1 1 2034 . 9 1 1 A 179 179 LYS N N 185 122.880 121.263 1.617 1 1 2035 . 9 1 1 A 180 180 SER H H 186 7.262 8.005 -0.743 1 1 2036 . 9 1 1 A 180 180 SER HA H 186 4.672 4.945 -0.273 1 1 2039 . 9 1 1 A 180 180 SER C C 186 173.086 174.247 -1.161 1 1 2040 . 9 1 1 A 180 180 SER CA C 186 54.576 55.486 -0.910 1 1 2041 . 9 1 1 A 180 180 SER CB C 186 62.715 64.942 -2.227 1 1 2042 . 9 1 1 A 180 180 SER N N 186 115.187 114.244 0.943 1 1 2043 . 9 1 1 A 181 181 PRO HA H 187 3.956 4.603 -0.647 1 1 2050 . 9 1 1 A 181 181 PRO CA C 187 65.359 64.709 0.650 1 1 2051 . 9 1 1 A 181 181 PRO CB C 187 32.061 32.092 -0.031 1 1 2054 . 9 1 1 A 182 182 GLU H H 188 8.076 8.542 -0.466 1 1 2055 . 9 1 1 A 182 182 GLU HA H 188 3.011 4.415 -1.404 1 1 2060 . 9 1 1 A 182 182 GLU C C 188 173.944 177.213 -3.269 1 1 2061 . 9 1 1 A 182 182 GLU CA C 188 56.597 56.534 0.063 1 1 2062 . 9 1 1 A 182 182 GLU CB C 188 29.581 30.025 -0.444 1 1 2064 . 9 1 1 A 182 182 GLU N N 188 113.034 117.278 -4.244 1 1 2065 . 9 1 1 A 183 183 LEU H H 189 7.126 7.797 -0.671 1 1 2066 . 9 1 1 A 183 183 LEU HA H 189 3.970 4.635 -0.665 1 1 2076 . 9 1 1 A 183 183 LEU C C 189 175.597 176.038 -0.441 1 1 2077 . 9 1 1 A 183 183 LEU CA C 189 53.849 54.550 -0.701 1 1 2078 . 9 1 1 A 183 183 LEU CB C 189 41.152 44.132 -2.980 1 1 2082 . 9 1 1 A 183 183 LEU N N 189 112.896 119.280 -6.384 1 1 2083 . 9 1 1 A 184 184 ASN H H 190 6.952 7.878 -0.926 1 1 2084 . 9 1 1 A 184 184 ASN HA H 190 4.596 4.717 -0.121 1 1 2089 . 9 1 1 A 184 184 ASN C C 190 175.694 175.020 0.674 1 1 2090 . 9 1 1 A 184 184 ASN CA C 190 53.200 53.029 0.171 1 1 2091 . 9 1 1 A 184 184 ASN CB C 190 36.466 39.590 -3.124 1 1 2092 . 9 1 1 A 184 184 ASN N N 190 117.865 117.737 0.128 1 1 2094 . 9 1 1 A 185 185 VAL H H 191 7.178 8.616 -1.438 1 1 2095 . 9 1 1 A 185 185 VAL HA H 191 4.480 4.783 -0.303 1 1 2103 . 9 1 1 A 185 185 VAL C C 191 174.874 174.585 0.289 1 1 2104 . 9 1 1 A 185 185 VAL CA C 191 59.753 58.619 1.134 1 1 2105 . 9 1 1 A 185 185 VAL CB C 191 33.035 35.556 -2.521 1 1 2108 . 9 1 1 A 185 185 VAL N N 191 113.276 117.129 -3.853 1 1 2109 . 9 1 1 A 186 186 ASP H H 192 8.827 8.330 0.497 1 1 2110 . 9 1 1 A 186 186 ASP HA H 192 4.779 5.002 -0.223 1 1 2113 . 9 1 1 A 186 186 ASP C C 192 174.919 175.327 -0.408 1 1 2114 . 9 1 1 A 186 186 ASP CA C 192 54.058 53.864 0.194 1 1 2115 . 9 1 1 A 186 186 ASP CB C 192 41.635 42.986 -1.351 1 1 2116 . 9 1 1 A 186 186 ASP N N 192 118.111 120.451 -2.340 1 1 2117 . 9 1 1 A 187 187 LEU H H 193 8.375 8.776 -0.401 1 1 2118 . 9 1 1 A 187 187 LEU HA H 193 4.146 4.908 -0.762 1 1 2127 . 9 1 1 A 187 187 LEU CA C 193 52.331 53.315 -0.984 1 1 2128 . 9 1 1 A 187 187 LEU CB C 193 38.187 44.119 -5.932 1 1 2131 . 9 1 1 A 187 187 LEU N N 193 123.130 122.002 1.128 1 1 2132 . 9 1 1 A 188 188 ALA H H 194 8.225 8.871 -0.646 1 1 2133 . 9 1 1 A 188 188 ALA HA H 194 4.098 4.551 -0.453 1 1 2137 . 9 1 1 A 188 188 ALA C C 194 176.239 177.042 -0.803 1 1 2138 . 9 1 1 A 188 188 ALA CA C 194 52.498 51.698 0.800 1 1 2139 . 9 1 1 A 188 188 ALA CB C 194 20.030 19.219 0.811 1 1 2140 . 9 1 1 A 188 188 ALA N N 194 126.289 127.265 -0.976 1 1 2141 . 9 1 1 A 189 189 ALA H H 195 8.275 8.303 -0.028 1 1 2142 . 9 1 1 A 189 189 ALA HA H 195 4.862 4.172 0.690 1 1 2146 . 9 1 1 A 189 189 ALA C C 195 178.131 177.639 0.492 1 1 2147 . 9 1 1 A 189 189 ALA CA C 195 51.822 53.211 -1.389 1 1 2148 . 9 1 1 A 189 189 ALA CB C 195 17.367 18.907 -1.540 1 1 2149 . 9 1 1 A 189 189 ALA N N 195 122.010 125.049 -3.039 1 1 2150 . 9 1 1 A 190 190 ALA H H 196 8.823 8.691 0.132 1 1 2151 . 9 1 1 A 190 190 ALA HA H 196 4.634 5.147 -0.513 1 1 2155 . 9 1 1 A 190 190 ALA C C 196 175.141 176.833 -1.692 1 1 2156 . 9 1 1 A 190 190 ALA CA C 196 50.420 49.806 0.614 1 1 2157 . 9 1 1 A 190 190 ALA CB C 196 23.461 22.020 1.441 1 1 2158 . 9 1 1 A 190 190 ALA N N 196 126.018 126.183 -0.165 1 1 2159 . 9 1 1 A 191 191 ASP H H 197 8.365 8.909 -0.544 1 1 2160 . 9 1 1 A 191 191 ASP HA H 197 5.160 5.194 -0.034 1 1 2163 . 9 1 1 A 191 191 ASP C C 197 176.028 175.840 0.188 1 1 2164 . 9 1 1 A 191 191 ASP CA C 197 54.034 52.060 1.974 1 1 2165 . 9 1 1 A 191 191 ASP CB C 197 41.691 43.435 -1.744 1 1 2166 . 9 1 1 A 191 191 ASP N N 197 118.646 117.699 0.947 1 1 2167 . 9 1 1 A 192 192 ILE H H 198 7.915 8.429 -0.514 1 1 2168 . 9 1 1 A 192 192 ILE HA H 198 4.315 4.086 0.229 1 1 2178 . 9 1 1 A 192 192 ILE C C 198 174.684 175.645 -0.961 1 1 2179 . 9 1 1 A 192 192 ILE CA C 198 60.951 61.412 -0.461 1 1 2180 . 9 1 1 A 192 192 ILE CB C 198 41.989 37.386 4.603 1 1 2184 . 9 1 1 A 192 192 ILE N N 198 119.664 120.779 -1.115 1 1 2185 . 9 1 1 A 193 193 LYS H H 199 9.175 8.118 1.057 1 1 2186 . 9 1 1 A 193 193 LYS HA H 199 4.530 4.651 -0.121 1 1 2195 . 9 1 1 A 193 193 LYS C C 199 172.639 175.121 -2.482 1 1 2196 . 9 1 1 A 193 193 LYS CA C 199 53.361 52.853 0.508 1 1 2197 . 9 1 1 A 193 193 LYS CB C 199 34.758 33.434 1.324 1 1 2201 . 9 1 1 A 193 193 LYS N N 199 127.122 127.353 -0.231 1 1 2202 . 9 1 1 A 195 195 ASP H H 201 8.390 8.182 0.208 1 1 2203 . 9 1 1 A 195 195 ASP HA H 201 4.550 4.682 -0.132 1 1 2206 . 9 1 1 A 195 195 ASP C C 201 179.300 176.665 2.635 1 1 2207 . 9 1 1 A 195 195 ASP CA C 201 51.354 55.461 -4.107 1 1 2208 . 9 1 1 A 195 195 ASP CB C 201 40.324 41.095 -0.771 1 1 2209 . 9 1 1 A 195 195 ASP N N 201 123.239 123.050 0.189 1 1 2210 . 9 1 1 A 196 196 GLY HA2 H 202 3.718 4.089 -0.371 1 1 2211 . 9 1 1 A 196 196 GLY HA3 H 202 3.437 4.132 -0.695 1 1 2212 . 9 1 1 A 196 196 GLY CA C 202 46.527 45.548 0.979 1 1 2213 . 9 1 1 A 197 197 LYS H H 203 7.740 8.872 -1.132 1 1 2214 . 9 1 1 A 197 197 LYS HA H 203 4.118 4.243 -0.125 1 1 2221 . 9 1 1 A 197 197 LYS C C 203 174.941 176.720 -1.779 1 1 2222 . 9 1 1 A 197 197 LYS CA C 203 55.054 58.464 -3.410 1 1 2223 . 9 1 1 A 197 197 LYS CB C 203 31.192 31.741 -0.549 1 1 2226 . 9 1 1 A 197 197 LYS N N 203 120.305 122.503 -2.198 1 1 2227 . 9 1 1 A 198 198 ARG H H 204 8.059 7.897 0.162 1 1 2228 . 9 1 1 A 198 198 ARG HA H 204 3.441 4.689 -1.248 1 1 2235 . 9 1 1 A 198 198 ARG C C 204 175.152 175.518 -0.366 1 1 2236 . 9 1 1 A 198 198 ARG CA C 204 56.911 56.142 0.769 1 1 2237 . 9 1 1 A 198 198 ARG CB C 204 26.584 32.869 -6.285 1 1 2240 . 9 1 1 A 198 198 ARG N N 204 111.796 117.664 -5.868 1 1 2241 . 9 1 1 A 199 199 HIS H H 205 8.531 7.718 0.813 1 1 2242 . 9 1 1 A 199 199 HIS HA H 205 4.812 5.177 -0.365 1 1 2247 . 9 1 1 A 199 199 HIS C C 205 174.866 173.003 1.863 1 1 2248 . 9 1 1 A 199 199 HIS CA C 205 53.700 56.463 -2.763 1 1 2249 . 9 1 1 A 199 199 HIS CB C 205 27.838 32.959 -5.121 1 1 2250 . 9 1 1 A 199 199 HIS N N 205 120.255 117.275 2.980 1 1 2251 . 9 1 1 A 200 200 ALA H H 206 8.492 8.444 0.048 1 1 2252 . 9 1 1 A 200 200 ALA HA H 206 4.615 4.607 0.008 1 1 2256 . 9 1 1 A 200 200 ALA C C 206 175.840 175.728 0.112 1 1 2257 . 9 1 1 A 200 200 ALA CA C 206 52.247 50.313 1.934 1 1 2258 . 9 1 1 A 200 200 ALA CB C 206 19.838 20.834 -0.996 1 1 2259 . 9 1 1 A 200 200 ALA N N 206 123.237 128.704 -5.467 1 1 2260 . 9 1 1 A 201 201 VAL H H 207 9.174 8.395 0.779 1 1 2261 . 9 1 1 A 201 201 VAL HA H 207 4.976 4.665 0.311 1 1 2269 . 9 1 1 A 201 201 VAL C C 207 173.390 174.613 -1.223 1 1 2270 . 9 1 1 A 201 201 VAL CA C 207 60.775 60.378 0.397 1 1 2271 . 9 1 1 A 201 201 VAL CB C 207 35.488 35.787 -0.299 1 1 2274 . 9 1 1 A 201 201 VAL N N 207 123.250 116.298 6.952 1 1 2275 . 9 1 1 A 202 202 ILE H H 208 8.887 8.442 0.445 1 1 2276 . 9 1 1 A 202 202 ILE HA H 208 4.312 4.819 -0.507 1 1 2286 . 9 1 1 A 202 202 ILE C C 208 174.670 174.776 -0.106 1 1 2287 . 9 1 1 A 202 202 ILE CA C 208 60.815 59.617 1.198 1 1 2288 . 9 1 1 A 202 202 ILE CB C 208 41.576 40.008 1.568 1 1 2292 . 9 1 1 A 202 202 ILE N N 208 122.699 126.737 -4.038 1 1 2293 . 9 1 1 A 203 203 SER H H 209 8.416 8.650 -0.234 1 1 2294 . 9 1 1 A 203 203 SER HA H 209 4.913 5.137 -0.224 1 1 2297 . 9 1 1 A 203 203 SER C C 209 172.984 172.914 0.070 1 1 2298 . 9 1 1 A 203 203 SER CA C 209 55.676 56.355 -0.679 1 1 2299 . 9 1 1 A 203 203 SER CB C 209 64.355 65.502 -1.147 1 1 2300 . 9 1 1 A 203 203 SER N N 209 122.067 121.746 0.321 1 1 2301 . 9 1 1 A 204 204 GLY H H 210 7.292 7.733 -0.441 1 1 2302 . 9 1 1 A 204 204 GLY HA2 H 210 4.432 4.032 0.400 1 1 2303 . 9 1 1 A 204 204 GLY HA3 H 210 3.352 4.168 -0.816 1 1 2304 . 9 1 1 A 204 204 GLY C C 210 172.482 172.363 0.119 1 1 2305 . 9 1 1 A 204 204 GLY CA C 210 45.167 44.973 0.194 1 1 2306 . 9 1 1 A 204 204 GLY N N 210 110.488 113.061 -2.573 1 1 2307 . 9 1 1 A 205 205 SER H H 211 8.652 8.760 -0.108 1 1 2308 . 9 1 1 A 205 205 SER HA H 211 5.027 5.303 -0.276 1 1 2311 . 9 1 1 A 205 205 SER C C 211 172.852 173.410 -0.558 1 1 2312 . 9 1 1 A 205 205 SER CA C 211 58.806 57.833 0.973 1 1 2313 . 9 1 1 A 205 205 SER CB C 211 64.384 65.536 -1.152 1 1 2314 . 9 1 1 A 205 205 SER N N 211 116.497 117.095 -0.598 1 1 2315 . 9 1 1 A 206 206 VAL H H 212 7.400 8.973 -1.573 1 1 2316 . 9 1 1 A 206 206 VAL HA H 212 5.032 4.544 0.488 1 1 2324 . 9 1 1 A 206 206 VAL C C 212 174.500 174.324 0.176 1 1 2325 . 9 1 1 A 206 206 VAL CA C 212 58.764 61.530 -2.766 1 1 2326 . 9 1 1 A 206 206 VAL CB C 212 30.512 33.609 -3.097 1 1 2329 . 9 1 1 A 206 206 VAL N N 212 117.101 125.299 -8.198 1 1 2330 . 9 1 1 A 207 207 LEU H H 213 8.961 8.713 0.248 1 1 2331 . 9 1 1 A 207 207 LEU HA H 213 5.312 5.109 0.203 1 1 2341 . 9 1 1 A 207 207 LEU C C 213 175.520 174.669 0.851 1 1 2342 . 9 1 1 A 207 207 LEU CA C 213 52.630 53.379 -0.749 1 1 2343 . 9 1 1 A 207 207 LEU CB C 213 45.567 43.812 1.755 1 1 2347 . 9 1 1 A 207 207 LEU N N 213 124.185 129.888 -5.703 1 1 2348 . 9 1 1 A 208 208 TYR H H 214 8.836 9.021 -0.185 1 1 2349 . 9 1 1 A 208 208 TYR HA H 214 4.766 4.798 -0.032 1 1 2356 . 9 1 1 A 208 208 TYR C C 214 175.964 175.835 0.129 1 1 2357 . 9 1 1 A 208 208 TYR CA C 214 56.943 57.546 -0.603 1 1 2358 . 9 1 1 A 208 208 TYR CB C 214 41.736 39.831 1.905 1 1 2359 . 9 1 1 A 208 208 TYR N N 214 120.202 128.741 -8.539 1 1 2360 . 9 1 1 A 209 209 ASN H H 215 9.292 9.250 0.042 1 1 2361 . 9 1 1 A 209 209 ASN HA H 215 4.001 4.366 -0.365 1 1 2366 . 9 1 1 A 209 209 ASN C C 215 174.336 174.362 -0.026 1 1 2367 . 9 1 1 A 209 209 ASN CA C 215 53.923 54.193 -0.270 1 1 2368 . 9 1 1 A 209 209 ASN CB C 215 36.468 37.210 -0.742 1 1 2369 . 9 1 1 A 209 209 ASN N N 215 129.805 125.532 4.273 1 1 2371 . 9 1 1 A 210 210 GLN H H 216 8.614 8.424 0.190 1 1 2372 . 9 1 1 A 210 210 GLN HA H 216 3.453 3.962 -0.509 1 1 2379 . 9 1 1 A 210 210 GLN C C 216 173.521 174.998 -1.477 1 1 2380 . 9 1 1 A 210 210 GLN CA C 216 57.881 57.101 0.780 1 1 2381 . 9 1 1 A 210 210 GLN CB C 216 26.089 26.124 -0.035 1 1 2383 . 9 1 1 A 210 210 GLN N N 216 106.396 110.503 -4.107 1 1 2385 . 9 1 1 A 211 211 ALA H H 217 7.657 7.874 -0.217 1 1 2386 . 9 1 1 A 211 211 ALA HA H 217 4.608 4.578 0.030 1 1 2390 . 9 1 1 A 211 211 ALA C C 217 176.432 177.184 -0.752 1 1 2391 . 9 1 1 A 211 211 ALA CA C 217 50.786 53.291 -2.505 1 1 2392 . 9 1 1 A 211 211 ALA CB C 217 20.499 20.593 -0.094 1 1 2393 . 9 1 1 A 211 211 ALA N N 217 123.338 118.151 5.187 1 1 2394 . 9 1 1 A 212 212 GLU H H 218 8.712 8.076 0.636 1 1 2395 . 9 1 1 A 212 212 GLU HA H 218 4.525 4.406 0.119 1 1 2400 . 9 1 1 A 212 212 GLU C C 218 177.924 175.487 2.437 1 1 2401 . 9 1 1 A 212 212 GLU CA C 218 57.550 56.843 0.707 1 1 2402 . 9 1 1 A 212 212 GLU CB C 218 28.811 30.846 -2.035 1 1 2404 . 9 1 1 A 212 212 GLU N N 218 122.631 117.636 4.995 1 1 2405 . 9 1 1 A 213 213 LYS H H 219 8.835 8.538 0.297 1 1 2406 . 9 1 1 A 213 213 LYS HA H 219 4.612 4.941 -0.329 1 1 2415 . 9 1 1 A 213 213 LYS C C 219 173.786 175.468 -1.682 1 1 2416 . 9 1 1 A 213 213 LYS CA C 219 53.115 54.975 -1.860 1 1 2417 . 9 1 1 A 213 213 LYS CB C 219 34.180 34.070 0.110 1 1 2421 . 9 1 1 A 213 213 LYS N N 219 126.870 123.658 3.212 1 1 2422 . 9 1 1 A 214 214 GLY H H 220 7.929 8.889 -0.960 1 1 2423 . 9 1 1 A 214 214 GLY HA2 H 220 5.469 4.192 1.277 1 1 2424 . 9 1 1 A 214 214 GLY HA3 H 220 3.719 4.228 -0.509 1 1 2425 . 9 1 1 A 214 214 GLY C C 220 173.926 172.896 1.030 1 1 2426 . 9 1 1 A 214 214 GLY CA C 220 44.536 44.087 0.449 1 1 2427 . 9 1 1 A 214 214 GLY N N 220 107.019 114.410 -7.391 1 1 2428 . 9 1 1 A 215 215 SER H H 221 8.678 8.838 -0.160 1 1 2429 . 9 1 1 A 215 215 SER HA H 221 5.460 5.621 -0.161 1 1 2432 . 9 1 1 A 215 215 SER C C 221 171.043 173.244 -2.201 1 1 2433 . 9 1 1 A 215 215 SER CA C 221 56.810 56.841 -0.031 1 1 2434 . 9 1 1 A 215 215 SER CB C 221 66.671 66.291 0.380 1 1 2435 . 9 1 1 A 215 215 SER N N 221 117.334 113.442 3.892 1 1 2436 . 9 1 1 A 216 216 TYR H H 222 8.958 8.981 -0.023 1 1 2437 . 9 1 1 A 216 216 TYR HA H 222 5.389 5.866 -0.477 1 1 2445 . 9 1 1 A 216 216 TYR C C 222 172.789 173.310 -0.521 1 1 2446 . 9 1 1 A 216 216 TYR CA C 222 55.819 55.395 0.424 1 1 2447 . 9 1 1 A 216 216 TYR CB C 222 41.681 42.051 -0.370 1 1 2448 . 9 1 1 A 216 216 TYR N N 222 117.645 119.421 -1.776 1 1 2449 . 9 1 1 A 217 217 SER H H 223 8.837 9.203 -0.366 1 1 2450 . 9 1 1 A 217 217 SER HA H 223 5.165 5.136 0.029 1 1 2453 . 9 1 1 A 217 217 SER C C 223 173.125 172.358 0.767 1 1 2454 . 9 1 1 A 217 217 SER CA C 223 56.600 56.888 -0.288 1 1 2455 . 9 1 1 A 217 217 SER CB C 223 64.500 65.315 -0.815 1 1 2456 . 9 1 1 A 217 217 SER N N 223 115.593 115.486 0.107 1 1 2457 . 9 1 1 A 218 218 LEU H H 224 9.299 8.527 0.772 1 1 2458 . 9 1 1 A 218 218 LEU HA H 224 4.748 4.892 -0.144 1 1 2468 . 9 1 1 A 218 218 LEU C C 224 175.567 175.095 0.472 1 1 2469 . 9 1 1 A 218 218 LEU CA C 224 53.138 53.603 -0.465 1 1 2470 . 9 1 1 A 218 218 LEU CB C 224 46.255 45.280 0.975 1 1 2474 . 9 1 1 A 218 218 LEU N N 224 123.523 121.833 1.690 1 1 2475 . 9 1 1 A 219 219 GLY H H 225 9.041 8.540 0.501 1 1 2476 . 9 1 1 A 219 219 GLY HA2 H 225 4.620 4.026 0.594 1 1 2477 . 9 1 1 A 219 219 GLY HA3 H 225 3.413 4.077 -0.664 1 1 2478 . 9 1 1 A 219 219 GLY C C 225 171.514 171.756 -0.242 1 1 2479 . 9 1 1 A 219 219 GLY CA C 225 43.777 43.511 0.266 1 1 2480 . 9 1 1 A 219 219 GLY N N 225 108.999 106.403 2.596 1 1 2481 . 9 1 1 A 220 220 ILE H H 226 6.853 8.351 -1.498 1 1 2482 . 9 1 1 A 220 220 ILE HA H 226 4.615 4.523 0.092 1 1 2492 . 9 1 1 A 220 220 ILE C C 226 174.750 175.284 -0.534 1 1 2493 . 9 1 1 A 220 220 ILE CA C 226 60.421 60.058 0.363 1 1 2494 . 9 1 1 A 220 220 ILE CB C 226 38.213 38.694 -0.481 1 1 2498 . 9 1 1 A 220 220 ILE N N 226 120.223 121.249 -1.026 1 1 2499 . 9 1 1 A 221 221 PHE H H 227 9.392 8.687 0.705 1 1 2500 . 9 1 1 A 221 221 PHE HA H 227 4.770 5.130 -0.360 1 1 2507 . 9 1 1 A 221 221 PHE C C 227 175.093 175.662 -0.569 1 1 2508 . 9 1 1 A 221 221 PHE CA C 227 58.053 56.641 1.412 1 1 2509 . 9 1 1 A 221 221 PHE CB C 227 42.505 42.348 0.157 1 1 2510 . 9 1 1 A 221 221 PHE N N 227 128.229 125.875 2.354 1 1 2511 . 9 1 1 A 222 222 GLY H H 228 8.675 8.347 0.328 1 1 2512 . 9 1 1 A 222 222 GLY HA2 H 228 3.174 3.913 -0.739 1 1 2513 . 9 1 1 A 222 222 GLY HA3 H 228 4.311 4.137 0.174 1 1 2514 . 9 1 1 A 222 222 GLY CA C 228 42.438 44.725 -2.287 1 1 2515 . 9 1 1 A 222 222 GLY N N 228 104.634 110.670 -6.036 1 1 2516 . 9 1 1 A 223 223 GLY CA C 229 46.870 47.057 -0.187 1 1 2517 . 9 1 1 A 224 224 LYS H H 230 8.366 7.803 0.563 1 1 2518 . 9 1 1 A 224 224 LYS HA H 230 4.305 4.394 -0.089 1 1 2523 . 9 1 1 A 224 224 LYS C C 230 174.717 175.236 -0.519 1 1 2524 . 9 1 1 A 224 224 LYS CA C 230 54.119 55.749 -1.630 1 1 2525 . 9 1 1 A 224 224 LYS CB C 230 30.821 31.808 -0.987 1 1 2527 . 9 1 1 A 224 224 LYS N N 230 118.720 120.663 -1.943 1 1 2528 . 9 1 1 A 225 225 ALA H H 231 7.633 7.986 -0.353 1 1 2529 . 9 1 1 A 225 225 ALA HA H 231 3.810 4.165 -0.355 1 1 2533 . 9 1 1 A 225 225 ALA C C 231 176.702 177.271 -0.569 1 1 2534 . 9 1 1 A 225 225 ALA CA C 231 51.868 53.208 -1.340 1 1 2535 . 9 1 1 A 225 225 ALA CB C 231 16.117 17.415 -1.298 1 1 2536 . 9 1 1 A 225 225 ALA N N 231 118.077 119.861 -1.784 1 1 2537 . 9 1 1 A 226 226 GLN H H 232 9.387 7.878 1.509 1 1 2538 . 9 1 1 A 226 226 GLN HA H 232 3.877 4.398 -0.521 1 1 2543 . 9 1 1 A 226 226 GLN C C 232 175.992 176.077 -0.085 1 1 2544 . 9 1 1 A 226 226 GLN CA C 232 60.989 58.100 2.889 1 1 2545 . 9 1 1 A 226 226 GLN CB C 232 28.695 29.877 -1.182 1 1 2547 . 9 1 1 A 226 226 GLN N N 232 117.991 115.407 2.584 1 1 2548 . 9 1 1 A 227 227 GLU H H 233 8.825 7.361 1.464 1 1 2549 . 9 1 1 A 227 227 GLU HA H 233 5.411 4.622 0.789 1 1 2554 . 9 1 1 A 227 227 GLU C C 233 174.939 173.664 1.275 1 1 2555 . 9 1 1 A 227 227 GLU CA C 233 54.289 55.466 -1.177 1 1 2556 . 9 1 1 A 227 227 GLU CB C 233 33.797 32.161 1.636 1 1 2558 . 9 1 1 A 227 227 GLU N N 233 116.638 115.045 1.593 1 1 2559 . 9 1 1 A 228 228 VAL H H 234 8.343 8.408 -0.065 1 1 2560 . 9 1 1 A 228 228 VAL HA H 234 5.544 4.861 0.683 1 1 2568 . 9 1 1 A 228 228 VAL C C 234 174.839 174.191 0.648 1 1 2569 . 9 1 1 A 228 228 VAL CA C 234 57.867 59.875 -2.008 1 1 2570 . 9 1 1 A 228 228 VAL CB C 234 35.379 35.250 0.129 1 1 2573 . 9 1 1 A 228 228 VAL N N 234 109.304 115.852 -6.548 1 1 2574 . 9 1 1 A 229 229 ALA H H 235 8.475 8.127 0.348 1 1 2575 . 9 1 1 A 229 229 ALA HA H 235 4.937 5.099 -0.162 1 1 2579 . 9 1 1 A 229 229 ALA C C 235 176.417 175.915 0.502 1 1 2580 . 9 1 1 A 229 229 ALA CA C 235 51.303 51.113 0.190 1 1 2581 . 9 1 1 A 229 229 ALA CB C 235 20.301 23.544 -3.243 1 1 2582 . 9 1 1 A 229 229 ALA N N 235 120.653 124.461 -3.808 1 1 2583 . 9 1 1 A 230 230 GLY H H 236 9.361 7.943 1.418 1 1 2584 . 9 1 1 A 230 230 GLY HA2 H 236 5.075 4.269 0.806 1 1 2585 . 9 1 1 A 230 230 GLY HA3 H 236 4.017 4.305 -0.288 1 1 2586 . 9 1 1 A 230 230 GLY C C 236 170.130 171.401 -1.271 1 1 2587 . 9 1 1 A 230 230 GLY CA C 236 46.221 45.854 0.367 1 1 2588 . 9 1 1 A 230 230 GLY N N 236 111.104 106.600 4.504 1 1 2589 . 9 1 1 A 231 231 SER H H 237 8.889 8.827 0.062 1 1 2590 . 9 1 1 A 231 231 SER HA H 237 5.276 5.112 0.164 1 1 2593 . 9 1 1 A 231 231 SER C C 237 171.360 172.403 -1.043 1 1 2594 . 9 1 1 A 231 231 SER CA C 237 56.498 57.465 -0.967 1 1 2595 . 9 1 1 A 231 231 SER CB C 237 66.398 65.146 1.252 1 1 2596 . 9 1 1 A 231 231 SER N N 237 115.308 116.520 -1.212 1 1 2597 . 9 1 1 A 232 232 ALA H H 238 9.083 8.973 0.110 1 1 2598 . 9 1 1 A 232 232 ALA HA H 238 5.148 5.297 -0.149 1 1 2602 . 9 1 1 A 232 232 ALA C C 238 174.537 175.667 -1.130 1 1 2603 . 9 1 1 A 232 232 ALA CA C 238 49.904 50.391 -0.487 1 1 2604 . 9 1 1 A 232 232 ALA CB C 238 21.729 21.925 -0.196 1 1 2605 . 9 1 1 A 232 232 ALA N N 238 119.911 124.966 -5.055 1 1 2606 . 9 1 1 A 233 233 GLU H H 239 9.015 9.252 -0.237 1 1 2607 . 9 1 1 A 233 233 GLU HA H 239 4.631 5.025 -0.394 1 1 2612 . 9 1 1 A 233 233 GLU C C 239 174.122 175.119 -0.997 1 1 2613 . 9 1 1 A 233 233 GLU CA C 239 54.786 54.737 0.049 1 1 2614 . 9 1 1 A 233 233 GLU CB C 239 31.355 32.553 -1.198 1 1 2616 . 9 1 1 A 233 233 GLU N N 239 122.744 122.660 0.084 1 1 2617 . 9 1 1 A 234 234 VAL H H 240 8.792 9.016 -0.224 1 1 2618 . 9 1 1 A 234 234 VAL HA H 240 4.394 4.871 -0.477 1 1 2623 . 9 1 1 A 234 234 VAL C C 240 174.833 174.136 0.697 1 1 2624 . 9 1 1 A 234 234 VAL CA C 240 61.427 59.340 2.087 1 1 2625 . 9 1 1 A 234 234 VAL CB C 240 33.863 35.605 -1.742 1 1 2627 . 9 1 1 A 234 234 VAL N N 240 124.203 120.928 3.275 1 1 2628 . 9 1 1 A 235 235 LYS H H 241 8.841 8.745 0.096 1 1 2629 . 9 1 1 A 235 235 LYS HA H 241 3.981 4.975 -0.994 1 1 2638 . 9 1 1 A 235 235 LYS C C 241 174.548 175.396 -0.848 1 1 2639 . 9 1 1 A 235 235 LYS CA C 241 55.955 55.068 0.887 1 1 2640 . 9 1 1 A 235 235 LYS CB C 241 32.100 34.476 -2.376 1 1 2644 . 9 1 1 A 235 235 LYS N N 241 127.554 125.164 2.390 1 1 2645 . 9 1 1 A 236 236 THR H H 242 7.212 8.750 -1.538 1 1 2646 . 9 1 1 A 236 236 THR HA H 242 4.355 4.902 -0.547 1 1 2651 . 9 1 1 A 236 236 THR C C 242 176.482 175.044 1.438 1 1 2652 . 9 1 1 A 236 236 THR CA C 242 61.054 61.042 0.012 1 1 2653 . 9 1 1 A 236 236 THR CB C 242 72.642 72.817 -0.175 1 1 2655 . 9 1 1 A 236 236 THR N N 242 114.463 115.683 -1.220 1 1 2656 . 9 1 1 A 237 237 VAL H H 243 9.582 8.908 0.674 1 1 2657 . 9 1 1 A 237 237 VAL HA H 243 3.849 3.875 -0.026 1 1 2665 . 9 1 1 A 237 237 VAL C C 243 176.201 177.546 -1.345 1 1 2666 . 9 1 1 A 237 237 VAL CA C 243 64.701 65.093 -0.392 1 1 2667 . 9 1 1 A 237 237 VAL CB C 243 31.028 31.828 -0.800 1 1 2669 . 9 1 1 A 237 237 VAL N N 243 120.670 124.927 -4.257 1 1 2670 . 9 1 1 A 238 238 ASN H H 244 7.572 7.944 -0.372 1 1 2671 . 9 1 1 A 238 238 ASN HA H 244 4.882 4.687 0.195 1 1 2676 . 9 1 1 A 238 238 ASN C C 244 173.835 175.845 -2.010 1 1 2677 . 9 1 1 A 238 238 ASN CA C 244 52.022 53.259 -1.237 1 1 2678 . 9 1 1 A 238 238 ASN CB C 244 39.176 38.942 0.234 1 1 2679 . 9 1 1 A 238 238 ASN N N 244 115.638 117.523 -1.885 1 1 2681 . 9 1 1 A 239 239 GLY H H 245 7.362 8.228 -0.866 1 1 2682 . 9 1 1 A 239 239 GLY HA2 H 245 4.539 4.078 0.461 1 1 2683 . 9 1 1 A 239 239 GLY HA3 H 245 3.728 4.086 -0.358 1 1 2684 . 9 1 1 A 239 239 GLY C C 245 174.343 173.316 1.027 1 1 2685 . 9 1 1 A 239 239 GLY CA C 245 43.316 44.508 -1.192 1 1 2686 . 9 1 1 A 239 239 GLY N N 245 107.650 106.340 1.310 1 1 2687 . 9 1 1 A 240 240 ILE H H 246 8.672 8.299 0.373 1 1 2688 . 9 1 1 A 240 240 ILE HA H 246 4.351 4.532 -0.181 1 1 2698 . 9 1 1 A 240 240 ILE C C 246 176.899 174.888 2.011 1 1 2699 . 9 1 1 A 240 240 ILE CA C 246 61.120 61.263 -0.143 1 1 2700 . 9 1 1 A 240 240 ILE CB C 246 36.906 38.646 -1.740 1 1 2704 . 9 1 1 A 240 240 ILE N N 246 122.673 121.581 1.092 1 1 2705 . 9 1 1 A 241 241 ARG H H 247 9.233 9.067 0.166 1 1 2706 . 9 1 1 A 241 241 ARG HA H 247 4.370 5.122 -0.752 1 1 2713 . 9 1 1 A 241 241 ARG C C 247 173.925 175.001 -1.076 1 1 2714 . 9 1 1 A 241 241 ARG CA C 247 53.461 54.523 -1.062 1 1 2715 . 9 1 1 A 241 241 ARG CB C 247 31.910 33.992 -2.082 1 1 2718 . 9 1 1 A 241 241 ARG N N 247 128.497 127.803 0.694 1 1 2719 . 9 1 1 A 242 242 HIS H H 248 8.519 9.025 -0.506 1 1 2720 . 9 1 1 A 242 242 HIS HA H 248 5.323 5.096 0.227 1 1 2725 . 9 1 1 A 242 242 HIS C C 248 174.635 174.810 -0.175 1 1 2726 . 9 1 1 A 242 242 HIS CA C 248 55.759 55.111 0.648 1 1 2727 . 9 1 1 A 242 242 HIS CB C 248 32.921 31.523 1.398 1 1 2728 . 9 1 1 A 242 242 HIS N N 248 121.131 121.024 0.107 1 1 2729 . 9 1 1 A 243 243 ILE H H 249 8.723 9.032 -0.309 1 1 2730 . 9 1 1 A 243 243 ILE HA H 249 4.522 4.532 -0.010 1 1 2740 . 9 1 1 A 243 243 ILE C C 249 176.188 175.724 0.464 1 1 2741 . 9 1 1 A 243 243 ILE CA C 249 58.524 59.782 -1.258 1 1 2742 . 9 1 1 A 243 243 ILE CB C 249 41.977 41.669 0.308 1 1 2746 . 9 1 1 A 243 243 ILE N N 249 119.438 123.665 -4.227 1 1 2747 . 9 1 1 A 244 244 GLY H H 250 9.351 8.780 0.571 1 1 2748 . 9 1 1 A 244 244 GLY HA2 H 250 3.707 2.750 0.957 1 1 2749 . 9 1 1 A 244 244 GLY HA3 H 250 2.119 3.794 -1.675 1 1 2750 . 9 1 1 A 244 244 GLY C C 250 170.981 172.101 -1.120 1 1 2751 . 9 1 1 A 244 244 GLY CA C 250 44.178 44.654 -0.476 1 1 2752 . 9 1 1 A 244 244 GLY N N 250 113.700 114.242 -0.542 1 1 2753 . 9 1 1 A 245 245 LEU H H 251 7.833 8.608 -0.775 1 1 2754 . 9 1 1 A 245 245 LEU HA H 251 4.717 4.910 -0.193 1 1 2764 . 9 1 1 A 245 245 LEU C C 251 174.501 175.994 -1.493 1 1 2765 . 9 1 1 A 245 245 LEU CA C 251 52.508 53.723 -1.215 1 1 2766 . 9 1 1 A 245 245 LEU CB C 251 46.764 43.287 3.477 1 1 2770 . 9 1 1 A 245 245 LEU N N 251 120.798 124.581 -3.783 1 1 2771 . 9 1 1 A 246 246 ALA H H 252 7.906 8.739 -0.833 1 1 2772 . 9 1 1 A 246 246 ALA HA H 252 4.589 5.007 -0.418 1 1 2776 . 9 1 1 A 246 246 ALA C C 252 173.363 175.454 -2.091 1 1 2777 . 9 1 1 A 246 246 ALA CA C 252 51.546 51.185 0.361 1 1 2778 . 9 1 1 A 246 246 ALA CB C 252 21.524 21.107 0.417 1 1 2779 . 9 1 1 A 246 246 ALA N N 252 122.885 124.917 -2.032 1 1 2780 . 9 1 1 A 247 247 ALA H H 253 9.041 8.300 0.741 1 1 2781 . 9 1 1 A 247 247 ALA HA H 253 4.726 5.111 -0.385 1 1 2785 . 9 1 1 A 247 247 ALA C C 253 174.897 175.366 -0.469 1 1 2786 . 9 1 1 A 247 247 ALA CA C 253 51.723 51.134 0.589 1 1 2787 . 9 1 1 A 247 247 ALA CB C 253 22.967 23.180 -0.213 1 1 2788 . 9 1 1 A 247 247 ALA N N 253 122.967 124.596 -1.629 1 1 2789 . 9 1 1 A 248 248 LYS H H 254 8.171 8.817 -0.646 1 1 2790 . 9 1 1 A 248 248 LYS HA H 254 5.731 4.706 1.025 1 1 2797 . 9 1 1 A 248 248 LYS C C 254 175.094 174.483 0.611 1 1 2798 . 9 1 1 A 248 248 LYS CA C 254 53.866 55.157 -1.291 1 1 2799 . 9 1 1 A 248 248 LYS CB C 254 36.312 36.365 -0.053 1 1 2802 . 9 1 1 A 248 248 LYS N N 254 115.734 121.987 -6.253 1 1 60 . 10 1 1 A 9 9 GLY H H 15 8.346 8.794 -0.448 1 1 61 . 10 1 1 A 9 9 GLY HA2 H 15 4.021 3.861 0.160 1 1 62 . 10 1 1 A 9 9 GLY HA3 H 15 3.772 3.864 -0.092 1 1 63 . 10 1 1 A 9 9 GLY C C 15 174.259 175.463 -1.204 1 1 64 . 10 1 1 A 9 9 GLY CA C 15 45.581 46.209 -0.628 1 1 65 . 10 1 1 A 9 9 GLY N N 15 107.368 111.592 -4.224 1 1 66 . 10 1 1 A 10 10 LEU H H 16 7.224 7.734 -0.510 1 1 67 . 10 1 1 A 10 10 LEU HA H 16 3.736 4.073 -0.337 1 1 77 . 10 1 1 A 10 10 LEU C C 16 178.202 179.046 -0.844 1 1 78 . 10 1 1 A 10 10 LEU CA C 16 57.915 57.254 0.661 1 1 79 . 10 1 1 A 10 10 LEU CB C 16 40.686 41.169 -0.483 1 1 83 . 10 1 1 A 10 10 LEU N N 16 117.616 122.406 -4.790 1 1 84 . 10 1 1 A 11 11 ALA H H 17 7.860 7.780 0.080 1 1 85 . 10 1 1 A 11 11 ALA HA H 17 3.937 4.186 -0.249 1 1 89 . 10 1 1 A 11 11 ALA C C 17 181.090 179.029 2.061 1 1 90 . 10 1 1 A 11 11 ALA CA C 17 54.860 55.655 -0.795 1 1 91 . 10 1 1 A 11 11 ALA CB C 17 17.248 18.300 -1.052 1 1 92 . 10 1 1 A 11 11 ALA N N 17 117.757 122.220 -4.463 1 1 93 . 10 1 1 A 12 12 ASP H H 18 8.017 8.300 -0.283 1 1 94 . 10 1 1 A 12 12 ASP HA H 18 4.223 4.550 -0.327 1 1 97 . 10 1 1 A 12 12 ASP C C 18 177.941 178.330 -0.389 1 1 98 . 10 1 1 A 12 12 ASP CA C 18 56.341 57.042 -0.701 1 1 99 . 10 1 1 A 12 12 ASP CB C 18 39.312 40.977 -1.665 1 1 100 . 10 1 1 A 12 12 ASP N N 18 118.410 118.204 0.206 1 1 101 . 10 1 1 A 13 13 ALA H H 19 8.205 7.385 0.820 1 1 102 . 10 1 1 A 13 13 ALA HA H 19 3.952 4.173 -0.221 1 1 106 . 10 1 1 A 13 13 ALA C C 19 178.856 178.101 0.755 1 1 107 . 10 1 1 A 13 13 ALA CA C 19 55.039 54.211 0.828 1 1 108 . 10 1 1 A 13 13 ALA CB C 19 17.779 18.510 -0.731 1 1 109 . 10 1 1 A 13 13 ALA N N 19 121.480 121.000 0.480 1 1 110 . 10 1 1 A 14 14 LEU H H 20 7.217 7.464 -0.247 1 1 111 . 10 1 1 A 14 14 LEU HA H 20 4.258 4.280 -0.022 1 1 121 . 10 1 1 A 14 14 LEU C C 20 177.544 178.751 -1.207 1 1 122 . 10 1 1 A 14 14 LEU CA C 20 55.511 56.054 -0.543 1 1 123 . 10 1 1 A 14 14 LEU CB C 20 42.176 42.330 -0.154 1 1 126 . 10 1 1 A 14 14 LEU N N 20 113.410 115.984 -2.574 1 1 127 . 10 1 1 A 15 15 THR H H 21 7.624 7.524 0.100 1 1 128 . 10 1 1 A 15 15 THR HA H 21 4.394 4.255 0.139 1 1 133 . 10 1 1 A 15 15 THR C C 21 174.959 174.561 0.398 1 1 134 . 10 1 1 A 15 15 THR CA C 21 61.733 62.660 -0.927 1 1 135 . 10 1 1 A 15 15 THR CB C 21 71.514 69.916 1.598 1 1 137 . 10 1 1 A 15 15 THR N N 21 106.072 109.032 -2.960 1 1 138 . 10 1 1 A 16 16 ALA H H 22 8.932 7.809 1.123 1 1 139 . 10 1 1 A 16 16 ALA HA H 22 4.624 4.050 0.574 1 1 143 . 10 1 1 A 16 16 ALA C C 22 175.978 178.182 -2.204 1 1 144 . 10 1 1 A 16 16 ALA CA C 22 50.681 52.704 -2.023 1 1 145 . 10 1 1 A 16 16 ALA CB C 22 18.728 17.269 1.459 1 1 146 . 10 1 1 A 16 16 ALA N N 22 127.789 122.375 5.414 1 1 147 . 10 1 1 A 17 17 PRO HA H 23 4.430 4.478 -0.048 1 1 154 . 10 1 1 A 17 17 PRO CA C 23 61.497 64.235 -2.738 1 1 155 . 10 1 1 A 17 17 PRO CB C 23 31.775 31.956 -0.181 1 1 158 . 10 1 1 A 18 18 LEU H H 24 8.154 7.586 0.568 1 1 159 . 10 1 1 A 18 18 LEU HA H 24 3.894 4.340 -0.446 1 1 169 . 10 1 1 A 18 18 LEU C C 24 176.447 177.654 -1.207 1 1 170 . 10 1 1 A 18 18 LEU CA C 24 55.510 55.135 0.375 1 1 171 . 10 1 1 A 18 18 LEU CB C 24 40.921 42.440 -1.519 1 1 175 . 10 1 1 A 18 18 LEU N N 24 121.010 120.569 0.441 1 1 176 . 10 1 1 A 19 19 ASP H H 25 8.758 8.732 0.026 1 1 177 . 10 1 1 A 19 19 ASP HA H 25 4.626 4.353 0.273 1 1 180 . 10 1 1 A 19 19 ASP C C 25 176.425 176.181 0.244 1 1 181 . 10 1 1 A 19 19 ASP CA C 25 52.688 57.395 -4.707 1 1 182 . 10 1 1 A 19 19 ASP CB C 25 42.819 41.047 1.772 1 1 183 . 10 1 1 A 19 19 ASP N N 25 124.654 122.223 2.431 1 1 184 . 10 1 1 A 20 20 HIS HA H 26 4.272 4.648 -0.376 1 1 189 . 10 1 1 A 20 20 HIS CA C 26 58.100 54.817 3.283 1 1 190 . 10 1 1 A 20 20 HIS CB C 26 29.200 30.979 -1.779 1 1 191 . 10 1 1 A 21 21 LYS H H 27 8.348 7.704 0.644 1 1 192 . 10 1 1 A 21 21 LYS HA H 27 3.970 3.667 0.303 1 1 201 . 10 1 1 A 21 21 LYS C C 27 177.393 175.593 1.800 1 1 202 . 10 1 1 A 21 21 LYS CA C 27 56.320 58.486 -2.166 1 1 203 . 10 1 1 A 21 21 LYS CB C 27 30.950 31.436 -0.486 1 1 206 . 10 1 1 A 21 21 LYS N N 27 118.419 121.409 -2.990 1 1 207 . 10 1 1 A 22 22 ASP H H 28 7.451 8.201 -0.750 1 1 208 . 10 1 1 A 22 22 ASP HA H 28 4.307 4.506 -0.199 1 1 211 . 10 1 1 A 22 22 ASP C C 28 176.212 176.152 0.060 1 1 212 . 10 1 1 A 22 22 ASP CA C 28 54.164 55.628 -1.464 1 1 213 . 10 1 1 A 22 22 ASP CB C 28 40.091 40.077 0.014 1 1 214 . 10 1 1 A 22 22 ASP N N 28 120.045 120.494 -0.449 1 1 215 . 10 1 1 A 23 23 LYS H H 29 8.416 8.671 -0.255 1 1 216 . 10 1 1 A 23 23 LYS HA H 29 3.962 4.552 -0.590 1 1 225 . 10 1 1 A 23 23 LYS C C 29 177.409 176.252 1.157 1 1 226 . 10 1 1 A 23 23 LYS CA C 29 56.254 56.714 -0.460 1 1 227 . 10 1 1 A 23 23 LYS CB C 29 31.950 34.154 -2.204 1 1 231 . 10 1 1 A 23 23 LYS N N 29 121.925 124.535 -2.610 1 1 232 . 10 1 1 A 24 24 GLY H H 30 8.612 7.963 0.649 1 1 233 . 10 1 1 A 24 24 GLY HA2 H 30 3.655 4.123 -0.468 1 1 234 . 10 1 1 A 24 24 GLY HA3 H 30 3.519 4.159 -0.640 1 1 235 . 10 1 1 A 24 24 GLY CA C 30 44.788 44.985 -0.197 1 1 236 . 10 1 1 A 24 24 GLY N N 30 111.487 109.056 2.431 1 1 237 . 10 1 1 A 25 25 LEU H H 31 8.054 8.523 -0.469 1 1 238 . 10 1 1 A 25 25 LEU HA H 31 3.770 4.405 -0.635 1 1 248 . 10 1 1 A 25 25 LEU CA C 31 55.906 55.525 0.381 1 1 249 . 10 1 1 A 25 25 LEU CB C 31 44.428 42.445 1.983 1 1 253 . 10 1 1 A 25 25 LEU N N 31 127.196 121.866 5.330 1 1 254 . 10 1 1 A 26 26 GLN H H 32 9.184 8.746 0.438 1 1 255 . 10 1 1 A 26 26 GLN HA H 32 3.437 4.737 -1.300 1 1 262 . 10 1 1 A 26 26 GLN C C 32 174.347 174.880 -0.533 1 1 263 . 10 1 1 A 26 26 GLN CA C 32 57.926 55.278 2.648 1 1 264 . 10 1 1 A 26 26 GLN CB C 32 27.721 29.998 -2.277 1 1 266 . 10 1 1 A 26 26 GLN N N 32 131.782 122.473 9.309 1 1 268 . 10 1 1 A 27 27 SER H H 33 7.240 7.695 -0.455 1 1 269 . 10 1 1 A 27 27 SER HA H 33 4.981 5.055 -0.074 1 1 272 . 10 1 1 A 27 27 SER C C 33 171.111 172.648 -1.537 1 1 273 . 10 1 1 A 27 27 SER CA C 33 56.782 57.428 -0.646 1 1 274 . 10 1 1 A 27 27 SER CB C 33 64.611 65.810 -1.199 1 1 275 . 10 1 1 A 27 27 SER N N 33 108.936 112.818 -3.882 1 1 276 . 10 1 1 A 28 28 LEU H H 34 8.010 8.434 -0.424 1 1 277 . 10 1 1 A 28 28 LEU HA H 34 4.372 4.849 -0.477 1 1 287 . 10 1 1 A 28 28 LEU C C 34 174.697 174.711 -0.014 1 1 288 . 10 1 1 A 28 28 LEU CA C 34 53.332 53.948 -0.616 1 1 289 . 10 1 1 A 28 28 LEU CB C 34 45.636 42.424 3.212 1 1 293 . 10 1 1 A 28 28 LEU N N 34 121.826 124.621 -2.795 1 1 294 . 10 1 1 A 29 29 THR H H 35 8.810 8.886 -0.076 1 1 295 . 10 1 1 A 29 29 THR HA H 35 4.046 4.888 -0.842 1 1 300 . 10 1 1 A 29 29 THR C C 35 172.792 173.840 -1.048 1 1 301 . 10 1 1 A 29 29 THR CA C 35 62.565 62.093 0.472 1 1 302 . 10 1 1 A 29 29 THR CB C 35 68.233 69.856 -1.623 1 1 304 . 10 1 1 A 29 29 THR N N 35 123.892 124.196 -0.304 1 1 305 . 10 1 1 A 30 30 LEU H H 36 8.662 8.760 -0.098 1 1 306 . 10 1 1 A 30 30 LEU HA H 36 4.150 4.892 -0.742 1 1 316 . 10 1 1 A 30 30 LEU C C 36 174.707 176.411 -1.704 1 1 317 . 10 1 1 A 30 30 LEU CA C 36 53.789 54.360 -0.571 1 1 318 . 10 1 1 A 30 30 LEU CB C 36 40.562 41.735 -1.173 1 1 322 . 10 1 1 A 30 30 LEU N N 36 128.365 127.561 0.804 1 1 323 . 10 1 1 A 31 31 ASP H H 37 8.500 9.124 -0.624 1 1 324 . 10 1 1 A 31 31 ASP HA H 37 4.837 4.729 0.108 1 1 327 . 10 1 1 A 31 31 ASP CA C 37 54.657 55.806 -1.149 1 1 328 . 10 1 1 A 31 31 ASP CB C 37 43.089 41.447 1.642 1 1 329 . 10 1 1 A 31 31 ASP N N 37 123.194 126.326 -3.132 1 1 330 . 10 1 1 A 32 32 GLN H H 38 10.453 7.992 2.461 1 1 331 . 10 1 1 A 32 32 GLN HA H 38 3.808 4.617 -0.809 1 1 338 . 10 1 1 A 32 32 GLN C C 38 178.535 177.681 0.854 1 1 339 . 10 1 1 A 32 32 GLN CA C 38 56.284 57.024 -0.740 1 1 340 . 10 1 1 A 32 32 GLN CB C 38 28.175 30.497 -2.322 1 1 342 . 10 1 1 A 32 32 GLN N N 38 120.692 118.837 1.855 1 1 344 . 10 1 1 A 33 33 SER H H 39 8.523 7.910 0.613 1 1 345 . 10 1 1 A 33 33 SER HA H 39 4.081 4.333 -0.252 1 1 348 . 10 1 1 A 33 33 SER C C 39 171.792 173.766 -1.974 1 1 349 . 10 1 1 A 33 33 SER CA C 39 61.436 61.427 0.009 1 1 350 . 10 1 1 A 33 33 SER CB C 39 63.008 63.829 -0.821 1 1 351 . 10 1 1 A 33 33 SER N N 39 111.712 114.698 -2.986 1 1 352 . 10 1 1 A 34 34 VAL H H 40 6.691 7.697 -1.006 1 1 353 . 10 1 1 A 34 34 VAL HA H 40 3.890 4.714 -0.824 1 1 361 . 10 1 1 A 34 34 VAL C C 40 172.251 174.420 -2.169 1 1 362 . 10 1 1 A 34 34 VAL CA C 40 60.415 59.894 0.521 1 1 363 . 10 1 1 A 34 34 VAL CB C 40 32.306 35.815 -3.509 1 1 366 . 10 1 1 A 34 34 VAL N N 40 115.971 117.933 -1.962 1 1 367 . 10 1 1 A 35 35 ARG H H 41 8.184 8.769 -0.585 1 1 368 . 10 1 1 A 35 35 ARG HA H 41 4.176 4.399 -0.223 1 1 375 . 10 1 1 A 35 35 ARG C C 41 176.886 177.770 -0.884 1 1 376 . 10 1 1 A 35 35 ARG CA C 41 55.599 55.814 -0.215 1 1 377 . 10 1 1 A 35 35 ARG CB C 41 30.569 31.336 -0.767 1 1 380 . 10 1 1 A 35 35 ARG N N 41 125.397 126.055 -0.658 1 1 381 . 10 1 1 A 36 36 LYS H H 42 8.493 8.661 -0.168 1 1 382 . 10 1 1 A 36 36 LYS HA H 42 3.778 4.177 -0.399 1 1 391 . 10 1 1 A 36 36 LYS C C 42 176.596 177.058 -0.462 1 1 392 . 10 1 1 A 36 36 LYS CA C 42 58.687 58.266 0.421 1 1 393 . 10 1 1 A 36 36 LYS CB C 42 31.959 32.185 -0.226 1 1 397 . 10 1 1 A 36 36 LYS N N 42 119.360 121.958 -2.598 1 1 398 . 10 1 1 A 37 37 ASN H H 43 8.513 7.918 0.595 1 1 399 . 10 1 1 A 37 37 ASN HA H 43 4.438 4.969 -0.531 1 1 404 . 10 1 1 A 37 37 ASN C C 43 173.867 173.944 -0.077 1 1 405 . 10 1 1 A 37 37 ASN CA C 43 55.127 52.863 2.264 1 1 406 . 10 1 1 A 37 37 ASN CB C 43 37.071 40.377 -3.306 1 1 407 . 10 1 1 A 37 37 ASN N N 43 115.488 115.231 0.257 1 1 409 . 10 1 1 A 38 38 GLU H H 44 7.793 7.578 0.215 1 1 410 . 10 1 1 A 38 38 GLU HA H 44 4.772 4.865 -0.093 1 1 413 . 10 1 1 A 38 38 GLU C C 44 175.262 174.227 1.035 1 1 414 . 10 1 1 A 38 38 GLU CA C 44 54.808 55.051 -0.243 1 1 415 . 10 1 1 A 38 38 GLU CB C 44 32.321 33.194 -0.873 1 1 416 . 10 1 1 A 38 38 GLU N N 44 118.734 121.314 -2.580 1 1 417 . 10 1 1 A 39 39 LYS H H 45 8.706 8.607 0.099 1 1 418 . 10 1 1 A 39 39 LYS HA H 45 4.606 5.074 -0.468 1 1 427 . 10 1 1 A 39 39 LYS C C 45 174.312 174.952 -0.640 1 1 428 . 10 1 1 A 39 39 LYS CA C 45 52.782 54.554 -1.772 1 1 429 . 10 1 1 A 39 39 LYS CB C 45 35.174 35.751 -0.577 1 1 433 . 10 1 1 A 39 39 LYS N N 45 117.132 126.722 -9.590 1 1 434 . 10 1 1 A 40 40 LEU H H 46 9.085 8.465 0.620 1 1 435 . 10 1 1 A 40 40 LEU HA H 46 5.044 4.964 0.080 1 1 442 . 10 1 1 A 40 40 LEU C C 46 173.778 173.995 -0.217 1 1 443 . 10 1 1 A 40 40 LEU CA C 46 52.590 52.516 0.074 1 1 444 . 10 1 1 A 40 40 LEU CB C 46 44.855 45.887 -1.032 1 1 447 . 10 1 1 A 40 40 LEU N N 46 125.335 121.372 3.963 1 1 448 . 10 1 1 A 41 41 LYS H H 47 9.263 8.957 0.306 1 1 449 . 10 1 1 A 41 41 LYS HA H 47 5.049 4.916 0.133 1 1 458 . 10 1 1 A 41 41 LYS C C 47 175.616 173.689 1.927 1 1 459 . 10 1 1 A 41 41 LYS CA C 47 53.864 54.493 -0.629 1 1 460 . 10 1 1 A 41 41 LYS CB C 47 32.986 35.592 -2.606 1 1 464 . 10 1 1 A 41 41 LYS N N 47 129.833 120.180 9.653 1 1 465 . 10 1 1 A 42 42 LEU H H 48 8.954 8.999 -0.045 1 1 466 . 10 1 1 A 42 42 LEU HA H 48 5.458 5.361 0.097 1 1 476 . 10 1 1 A 42 42 LEU C C 48 175.565 174.958 0.607 1 1 477 . 10 1 1 A 42 42 LEU CA C 48 51.964 53.473 -1.509 1 1 478 . 10 1 1 A 42 42 LEU CB C 48 44.393 45.736 -1.343 1 1 482 . 10 1 1 A 42 42 LEU N N 48 126.292 127.938 -1.646 1 1 483 . 10 1 1 A 43 43 ALA H H 49 8.804 8.901 -0.097 1 1 484 . 10 1 1 A 43 43 ALA HA H 49 5.304 5.242 0.062 1 1 488 . 10 1 1 A 43 43 ALA C C 49 176.301 175.783 0.518 1 1 489 . 10 1 1 A 43 43 ALA CA C 49 51.004 51.516 -0.512 1 1 490 . 10 1 1 A 43 43 ALA CB C 49 23.453 23.721 -0.268 1 1 491 . 10 1 1 A 43 43 ALA N N 49 120.789 127.078 -6.289 1 1 492 . 10 1 1 A 44 44 ALA H H 50 8.117 8.537 -0.420 1 1 493 . 10 1 1 A 44 44 ALA HA H 50 4.485 4.648 -0.163 1 1 497 . 10 1 1 A 44 44 ALA C C 50 176.254 176.798 -0.544 1 1 498 . 10 1 1 A 44 44 ALA CA C 50 53.021 51.681 1.340 1 1 499 . 10 1 1 A 44 44 ALA CB C 50 23.682 22.206 1.476 1 1 500 . 10 1 1 A 44 44 ALA N N 50 120.678 119.721 0.957 1 1 501 . 10 1 1 A 45 45 GLN H H 51 9.035 9.402 -0.367 1 1 502 . 10 1 1 A 45 45 GLN HA H 51 3.774 3.928 -0.154 1 1 509 . 10 1 1 A 45 45 GLN C C 51 175.259 174.938 0.321 1 1 510 . 10 1 1 A 45 45 GLN CA C 51 56.074 56.761 -0.687 1 1 511 . 10 1 1 A 45 45 GLN CB C 51 27.339 27.660 -0.321 1 1 513 . 10 1 1 A 45 45 GLN N N 51 116.299 122.434 -6.135 1 1 515 . 10 1 1 A 46 46 GLY H H 52 8.441 8.533 -0.092 1 1 516 . 10 1 1 A 46 46 GLY HA2 H 52 4.066 3.808 0.258 1 1 517 . 10 1 1 A 46 46 GLY HA3 H 52 3.510 3.810 -0.300 1 1 518 . 10 1 1 A 46 46 GLY C C 52 173.050 173.717 -0.667 1 1 519 . 10 1 1 A 46 46 GLY CA C 52 44.998 45.389 -0.391 1 1 520 . 10 1 1 A 46 46 GLY N N 52 105.419 105.719 -0.300 1 1 521 . 10 1 1 A 47 47 ALA H H 53 8.152 7.724 0.428 1 1 522 . 10 1 1 A 47 47 ALA HA H 53 4.767 4.831 -0.064 1 1 526 . 10 1 1 A 47 47 ALA C C 53 175.989 175.314 0.675 1 1 527 . 10 1 1 A 47 47 ALA CA C 53 49.918 50.955 -1.037 1 1 528 . 10 1 1 A 47 47 ALA CB C 53 22.720 23.386 -0.666 1 1 529 . 10 1 1 A 47 47 ALA N N 53 124.355 121.914 2.441 1 1 530 . 10 1 1 A 48 48 GLU H H 54 8.156 9.154 -0.998 1 1 531 . 10 1 1 A 48 48 GLU HA H 54 5.488 5.386 0.102 1 1 536 . 10 1 1 A 48 48 GLU C C 54 174.224 173.804 0.420 1 1 537 . 10 1 1 A 48 48 GLU CA C 54 54.346 55.082 -0.736 1 1 538 . 10 1 1 A 48 48 GLU CB C 54 34.305 33.568 0.737 1 1 540 . 10 1 1 A 48 48 GLU N N 54 116.655 116.156 0.499 1 1 541 . 10 1 1 A 49 49 LYS H H 55 8.852 9.495 -0.643 1 1 542 . 10 1 1 A 49 49 LYS HA H 55 4.190 5.109 -0.919 1 1 549 . 10 1 1 A 49 49 LYS C C 55 172.887 174.862 -1.975 1 1 550 . 10 1 1 A 49 49 LYS CA C 55 56.414 54.687 1.727 1 1 551 . 10 1 1 A 49 49 LYS CB C 55 34.723 35.877 -1.154 1 1 554 . 10 1 1 A 49 49 LYS N N 55 122.922 123.590 -0.668 1 1 555 . 10 1 1 A 50 50 THR H H 56 7.910 8.908 -0.998 1 1 556 . 10 1 1 A 50 50 THR HA H 56 4.908 4.730 0.178 1 1 561 . 10 1 1 A 50 50 THR C C 56 173.112 173.505 -0.393 1 1 562 . 10 1 1 A 50 50 THR CA C 56 61.998 62.369 -0.371 1 1 563 . 10 1 1 A 50 50 THR CB C 56 68.596 69.485 -0.889 1 1 565 . 10 1 1 A 50 50 THR N N 56 120.811 123.510 -2.699 1 1 566 . 10 1 1 A 51 51 TYR H H 57 9.432 8.582 0.850 1 1 567 . 10 1 1 A 51 51 TYR HA H 57 4.493 5.260 -0.767 1 1 574 . 10 1 1 A 51 51 TYR C C 57 174.156 173.759 0.397 1 1 575 . 10 1 1 A 51 51 TYR CA C 57 57.375 56.034 1.341 1 1 576 . 10 1 1 A 51 51 TYR CB C 57 41.895 41.724 0.171 1 1 577 . 10 1 1 A 51 51 TYR N N 57 127.372 123.845 3.527 1 1 578 . 10 1 1 A 52 52 GLY H H 58 9.154 8.572 0.582 1 1 579 . 10 1 1 A 52 52 GLY HA2 H 58 3.543 4.157 -0.614 1 1 580 . 10 1 1 A 52 52 GLY HA3 H 58 3.543 4.171 -0.628 1 1 581 . 10 1 1 A 52 52 GLY C C 58 172.527 173.059 -0.532 1 1 582 . 10 1 1 A 52 52 GLY CA C 58 42.304 45.721 -3.417 1 1 583 . 10 1 1 A 52 52 GLY N N 58 108.920 106.110 2.810 1 1 584 . 10 1 1 A 53 53 ASN H H 59 8.877 9.375 -0.498 1 1 585 . 10 1 1 A 53 53 ASN HA H 59 4.034 4.488 -0.454 1 1 588 . 10 1 1 A 53 53 ASN C C 59 176.319 175.581 0.738 1 1 589 . 10 1 1 A 53 53 ASN CA C 59 57.108 54.405 2.703 1 1 590 . 10 1 1 A 53 53 ASN CB C 59 39.672 37.379 2.293 1 1 591 . 10 1 1 A 53 53 ASN N N 59 117.281 118.388 -1.107 1 1 592 . 10 1 1 A 54 54 GLY H H 60 8.949 8.476 0.473 1 1 593 . 10 1 1 A 54 54 GLY HA2 H 60 4.222 4.042 0.180 1 1 594 . 10 1 1 A 54 54 GLY HA3 H 60 3.348 4.061 -0.713 1 1 595 . 10 1 1 A 54 54 GLY C C 60 174.096 173.775 0.321 1 1 596 . 10 1 1 A 54 54 GLY CA C 60 44.931 45.706 -0.775 1 1 597 . 10 1 1 A 54 54 GLY N N 60 114.860 104.512 10.348 1 1 598 . 10 1 1 A 55 55 ASP H H 61 7.991 7.867 0.124 1 1 599 . 10 1 1 A 55 55 ASP HA H 61 4.493 5.128 -0.635 1 1 602 . 10 1 1 A 55 55 ASP C C 61 174.727 174.811 -0.084 1 1 603 . 10 1 1 A 55 55 ASP CA C 61 54.408 52.285 2.123 1 1 604 . 10 1 1 A 55 55 ASP CB C 61 41.780 43.982 -2.202 1 1 605 . 10 1 1 A 55 55 ASP N N 61 121.974 120.687 1.287 1 1 606 . 10 1 1 A 56 56 SER H H 62 8.485 8.832 -0.347 1 1 607 . 10 1 1 A 56 56 SER HA H 62 4.959 5.571 -0.612 1 1 610 . 10 1 1 A 56 56 SER C C 62 173.099 172.607 0.492 1 1 611 . 10 1 1 A 56 56 SER CA C 62 57.154 56.455 0.699 1 1 612 . 10 1 1 A 56 56 SER CB C 62 64.522 65.965 -1.443 1 1 613 . 10 1 1 A 56 56 SER N N 62 113.088 115.173 -2.085 1 1 614 . 10 1 1 A 57 57 LEU H H 63 9.004 8.605 0.399 1 1 615 . 10 1 1 A 57 57 LEU HA H 63 4.500 4.388 0.112 1 1 625 . 10 1 1 A 57 57 LEU C C 63 175.943 175.009 0.934 1 1 626 . 10 1 1 A 57 57 LEU CA C 63 53.070 54.510 -1.440 1 1 627 . 10 1 1 A 57 57 LEU CB C 63 43.800 42.708 1.092 1 1 630 . 10 1 1 A 57 57 LEU N N 63 126.423 126.994 -0.571 1 1 631 . 10 1 1 A 58 58 ASN H H 64 8.484 8.754 -0.270 1 1 632 . 10 1 1 A 58 58 ASN HA H 64 4.752 4.901 -0.149 1 1 635 . 10 1 1 A 58 58 ASN C C 64 173.916 176.300 -2.384 1 1 636 . 10 1 1 A 58 58 ASN CA C 64 50.587 53.557 -2.970 1 1 637 . 10 1 1 A 58 58 ASN CB C 64 35.153 38.915 -3.762 1 1 638 . 10 1 1 A 58 58 ASN N N 64 125.624 126.264 -0.640 1 1 639 . 10 1 1 A 59 59 THR H H 65 7.747 8.502 -0.755 1 1 640 . 10 1 1 A 59 59 THR HA H 65 4.770 4.786 -0.016 1 1 645 . 10 1 1 A 59 59 THR C C 65 177.245 175.739 1.506 1 1 646 . 10 1 1 A 59 59 THR CA C 65 63.213 60.808 2.405 1 1 647 . 10 1 1 A 59 59 THR CB C 65 63.510 69.074 -5.564 1 1 649 . 10 1 1 A 59 59 THR N N 65 113.770 113.578 0.192 1 1 650 . 10 1 1 A 60 60 GLY H H 66 8.869 8.399 0.470 1 1 651 . 10 1 1 A 60 60 GLY HA2 H 66 3.839 3.929 -0.090 1 1 652 . 10 1 1 A 60 60 GLY HA3 H 66 3.724 3.939 -0.215 1 1 653 . 10 1 1 A 60 60 GLY C C 66 173.279 174.614 -1.335 1 1 654 . 10 1 1 A 60 60 GLY CA C 66 44.892 46.815 -1.923 1 1 655 . 10 1 1 A 60 60 GLY N N 66 114.430 111.309 3.121 1 1 656 . 10 1 1 A 61 61 LYS H H 67 6.376 7.588 -1.212 1 1 657 . 10 1 1 A 61 61 LYS HA H 67 4.021 4.461 -0.440 1 1 666 . 10 1 1 A 61 61 LYS C C 67 176.315 174.640 1.675 1 1 667 . 10 1 1 A 61 61 LYS CA C 67 54.298 55.647 -1.349 1 1 668 . 10 1 1 A 61 61 LYS CB C 67 32.200 32.907 -0.707 1 1 672 . 10 1 1 A 61 61 LYS N N 67 112.620 119.969 -7.349 1 1 673 . 10 1 1 A 62 62 LEU H H 68 7.335 7.732 -0.397 1 1 674 . 10 1 1 A 62 62 LEU HA H 68 4.275 4.785 -0.510 1 1 684 . 10 1 1 A 62 62 LEU C C 68 176.306 176.023 0.283 1 1 685 . 10 1 1 A 62 62 LEU CA C 68 52.479 53.426 -0.947 1 1 686 . 10 1 1 A 62 62 LEU CB C 68 40.600 44.769 -4.169 1 1 689 . 10 1 1 A 62 62 LEU N N 68 116.704 121.251 -4.547 1 1 690 . 10 1 1 A 63 63 LYS H H 69 8.506 8.286 0.220 1 1 691 . 10 1 1 A 63 63 LYS HA H 69 3.992 4.287 -0.295 1 1 700 . 10 1 1 A 63 63 LYS C C 69 175.886 177.182 -1.296 1 1 701 . 10 1 1 A 63 63 LYS CA C 69 54.986 57.173 -2.187 1 1 702 . 10 1 1 A 63 63 LYS CB C 69 32.447 33.056 -0.609 1 1 706 . 10 1 1 A 63 63 LYS N N 69 119.841 120.644 -0.803 1 1 707 . 10 1 1 A 64 64 ASN H H 70 8.080 8.493 -0.413 1 1 708 . 10 1 1 A 64 64 ASN HA H 70 3.839 5.028 -1.189 1 1 713 . 10 1 1 A 64 64 ASN C C 70 174.449 174.272 0.177 1 1 714 . 10 1 1 A 64 64 ASN CA C 70 54.417 50.666 3.751 1 1 715 . 10 1 1 A 64 64 ASN CB C 70 38.129 39.993 -1.864 1 1 716 . 10 1 1 A 64 64 ASN N N 70 121.515 121.077 0.438 1 1 718 . 10 1 1 A 65 65 ASP H H 71 9.218 8.795 0.423 1 1 719 . 10 1 1 A 65 65 ASP HA H 71 3.690 4.497 -0.807 1 1 722 . 10 1 1 A 65 65 ASP C C 71 173.016 174.949 -1.933 1 1 723 . 10 1 1 A 65 65 ASP CA C 71 54.726 55.307 -0.581 1 1 724 . 10 1 1 A 65 65 ASP CB C 71 38.534 39.755 -1.221 1 1 725 . 10 1 1 A 65 65 ASP N N 71 113.370 116.994 -3.624 1 1 726 . 10 1 1 A 66 66 LYS H H 72 6.443 7.377 -0.934 1 1 727 . 10 1 1 A 66 66 LYS HA H 72 4.411 4.781 -0.370 1 1 734 . 10 1 1 A 66 66 LYS C C 72 174.745 174.470 0.275 1 1 735 . 10 1 1 A 66 66 LYS CA C 72 53.094 54.643 -1.549 1 1 736 . 10 1 1 A 66 66 LYS CB C 72 36.099 35.459 0.640 1 1 739 . 10 1 1 A 66 66 LYS N N 72 113.415 113.826 -0.411 1 1 740 . 10 1 1 A 67 67 VAL H H 73 8.679 8.409 0.270 1 1 741 . 10 1 1 A 67 67 VAL HA H 73 4.189 4.464 -0.275 1 1 749 . 10 1 1 A 67 67 VAL C C 73 176.630 175.088 1.542 1 1 750 . 10 1 1 A 67 67 VAL CA C 73 62.135 60.682 1.453 1 1 751 . 10 1 1 A 67 67 VAL CB C 73 32.001 32.837 -0.836 1 1 753 . 10 1 1 A 67 67 VAL N N 73 122.098 116.695 5.403 1 1 754 . 10 1 1 A 68 68 SER H H 74 9.497 8.979 0.518 1 1 755 . 10 1 1 A 68 68 SER HA H 74 4.507 5.311 -0.804 1 1 758 . 10 1 1 A 68 68 SER C C 74 172.249 173.330 -1.081 1 1 759 . 10 1 1 A 68 68 SER CA C 74 58.323 56.418 1.905 1 1 760 . 10 1 1 A 68 68 SER CB C 74 64.028 65.235 -1.207 1 1 761 . 10 1 1 A 68 68 SER N N 74 127.048 120.660 6.388 1 1 762 . 10 1 1 A 69 69 ARG H H 75 7.848 8.245 -0.397 1 1 763 . 10 1 1 A 69 69 ARG HA H 75 5.031 4.133 0.898 1 1 770 . 10 1 1 A 69 69 ARG C C 75 173.300 175.763 -2.463 1 1 771 . 10 1 1 A 69 69 ARG CA C 75 55.337 56.035 -0.698 1 1 772 . 10 1 1 A 69 69 ARG CB C 75 31.871 30.426 1.445 1 1 775 . 10 1 1 A 69 69 ARG N N 75 122.621 123.605 -0.984 1 1 776 . 10 1 1 A 70 70 PHE H H 76 9.246 9.022 0.224 1 1 777 . 10 1 1 A 70 70 PHE HA H 76 4.808 5.074 -0.266 1 1 784 . 10 1 1 A 70 70 PHE C C 76 175.788 174.526 1.262 1 1 785 . 10 1 1 A 70 70 PHE CA C 76 55.245 56.738 -1.493 1 1 786 . 10 1 1 A 70 70 PHE CB C 76 43.645 42.550 1.095 1 1 787 . 10 1 1 A 70 70 PHE N N 76 118.087 119.968 -1.881 1 1 788 . 10 1 1 A 71 71 ASP H H 77 9.144 8.922 0.222 1 1 789 . 10 1 1 A 71 71 ASP HA H 77 5.360 4.809 0.551 1 1 792 . 10 1 1 A 71 71 ASP C C 77 176.477 175.225 1.252 1 1 793 . 10 1 1 A 71 71 ASP CA C 77 55.131 54.876 0.255 1 1 794 . 10 1 1 A 71 71 ASP CB C 77 41.301 41.650 -0.349 1 1 795 . 10 1 1 A 71 71 ASP N N 77 123.565 124.698 -1.133 1 1 796 . 10 1 1 A 72 72 PHE H H 78 9.094 8.979 0.115 1 1 797 . 10 1 1 A 72 72 PHE HA H 78 6.431 5.276 1.155 1 1 805 . 10 1 1 A 72 72 PHE C C 78 174.014 173.476 0.538 1 1 806 . 10 1 1 A 72 72 PHE CA C 78 54.934 56.444 -1.510 1 1 807 . 10 1 1 A 72 72 PHE CB C 78 42.491 42.473 0.018 1 1 808 . 10 1 1 A 72 72 PHE N N 78 119.663 125.395 -5.732 1 1 809 . 10 1 1 A 73 73 ILE H H 79 8.623 8.568 0.055 1 1 810 . 10 1 1 A 73 73 ILE HA H 79 4.334 4.959 -0.625 1 1 820 . 10 1 1 A 73 73 ILE C C 79 173.961 174.675 -0.714 1 1 821 . 10 1 1 A 73 73 ILE CA C 79 61.222 59.846 1.376 1 1 822 . 10 1 1 A 73 73 ILE CB C 79 41.918 42.564 -0.646 1 1 826 . 10 1 1 A 73 73 ILE N N 79 119.750 127.232 -7.482 1 1 827 . 10 1 1 A 74 74 ARG H H 80 9.052 8.468 0.584 1 1 828 . 10 1 1 A 74 74 ARG HA H 80 5.311 4.797 0.514 1 1 835 . 10 1 1 A 74 74 ARG C C 80 174.870 175.282 -0.412 1 1 836 . 10 1 1 A 74 74 ARG CA C 80 54.449 54.744 -0.295 1 1 837 . 10 1 1 A 74 74 ARG CB C 80 33.740 32.819 0.921 1 1 840 . 10 1 1 A 74 74 ARG N N 80 128.407 126.227 2.180 1 1 841 . 10 1 1 A 75 75 GLN H H 81 9.304 8.641 0.663 1 1 842 . 10 1 1 A 75 75 GLN HA H 81 5.562 4.856 0.706 1 1 849 . 10 1 1 A 75 75 GLN C C 81 173.678 173.633 0.045 1 1 850 . 10 1 1 A 75 75 GLN CA C 81 53.745 55.658 -1.913 1 1 851 . 10 1 1 A 75 75 GLN CB C 81 34.013 32.100 1.913 1 1 853 . 10 1 1 A 75 75 GLN N N 81 125.481 121.359 4.122 1 1 855 . 10 1 1 A 76 76 ILE H H 82 8.592 8.860 -0.268 1 1 856 . 10 1 1 A 76 76 ILE HA H 82 4.576 4.860 -0.284 1 1 866 . 10 1 1 A 76 76 ILE C C 82 172.511 173.717 -1.206 1 1 867 . 10 1 1 A 76 76 ILE CA C 82 59.622 59.427 0.195 1 1 868 . 10 1 1 A 76 76 ILE CB C 82 42.248 42.122 0.126 1 1 872 . 10 1 1 A 76 76 ILE N N 82 115.536 126.799 -11.263 1 1 873 . 10 1 1 A 77 77 GLU H H 83 8.433 8.781 -0.348 1 1 874 . 10 1 1 A 77 77 GLU HA H 83 4.936 4.668 0.268 1 1 879 . 10 1 1 A 77 77 GLU C C 83 175.614 175.380 0.234 1 1 880 . 10 1 1 A 77 77 GLU CA C 83 54.812 55.519 -0.707 1 1 881 . 10 1 1 A 77 77 GLU CB C 83 30.465 28.137 2.328 1 1 883 . 10 1 1 A 77 77 GLU N N 83 124.858 128.358 -3.500 1 1 884 . 10 1 1 A 78 78 VAL H H 84 8.879 7.264 1.615 1 1 885 . 10 1 1 A 78 78 VAL HA H 84 4.076 3.978 0.098 1 1 893 . 10 1 1 A 78 78 VAL C C 84 175.694 175.536 0.158 1 1 894 . 10 1 1 A 78 78 VAL CA C 84 61.382 62.690 -1.308 1 1 895 . 10 1 1 A 78 78 VAL CB C 84 34.014 31.659 2.355 1 1 897 . 10 1 1 A 78 78 VAL N N 84 126.973 119.443 7.530 1 1 898 . 10 1 1 A 79 79 ASP H H 85 9.329 9.507 -0.178 1 1 899 . 10 1 1 A 79 79 ASP HA H 85 4.156 4.333 -0.177 1 1 902 . 10 1 1 A 79 79 ASP C C 85 175.774 176.326 -0.552 1 1 903 . 10 1 1 A 79 79 ASP CA C 85 55.125 55.505 -0.380 1 1 904 . 10 1 1 A 79 79 ASP CB C 85 38.926 39.542 -0.616 1 1 905 . 10 1 1 A 79 79 ASP N N 85 129.387 121.819 7.568 1 1 906 . 10 1 1 A 80 80 GLY H H 86 8.575 8.637 -0.062 1 1 907 . 10 1 1 A 80 80 GLY HA2 H 86 3.992 3.873 0.119 1 1 908 . 10 1 1 A 80 80 GLY HA3 H 86 3.507 3.874 -0.367 1 1 909 . 10 1 1 A 80 80 GLY C C 86 173.366 173.713 -0.347 1 1 910 . 10 1 1 A 80 80 GLY CA C 86 44.759 45.495 -0.736 1 1 911 . 10 1 1 A 80 80 GLY N N 86 103.293 104.755 -1.462 1 1 912 . 10 1 1 A 81 81 GLN H H 87 7.751 7.890 -0.139 1 1 913 . 10 1 1 A 81 81 GLN HA H 87 4.482 4.733 -0.251 1 1 918 . 10 1 1 A 81 81 GLN C C 87 173.874 174.868 -0.994 1 1 919 . 10 1 1 A 81 81 GLN CA C 87 53.328 54.382 -1.054 1 1 920 . 10 1 1 A 81 81 GLN CB C 87 30.670 31.165 -0.495 1 1 922 . 10 1 1 A 81 81 GLN N N 87 119.688 119.271 0.417 1 1 923 . 10 1 1 A 82 82 LEU H H 88 8.418 9.029 -0.611 1 1 924 . 10 1 1 A 82 82 LEU HA H 88 4.630 5.015 -0.385 1 1 934 . 10 1 1 A 82 82 LEU C C 88 176.289 175.858 0.431 1 1 935 . 10 1 1 A 82 82 LEU CA C 88 53.834 53.608 0.226 1 1 936 . 10 1 1 A 82 82 LEU CB C 88 41.737 43.104 -1.367 1 1 940 . 10 1 1 A 82 82 LEU N N 88 123.523 123.368 0.155 1 1 941 . 10 1 1 A 83 83 ILE H H 89 9.146 9.006 0.140 1 1 942 . 10 1 1 A 83 83 ILE HA H 89 4.249 5.112 -0.863 1 1 952 . 10 1 1 A 83 83 ILE C C 89 175.698 174.587 1.111 1 1 953 . 10 1 1 A 83 83 ILE CA C 89 59.363 60.118 -0.755 1 1 954 . 10 1 1 A 83 83 ILE CB C 89 39.633 40.701 -1.068 1 1 958 . 10 1 1 A 83 83 ILE N N 89 127.151 125.224 1.927 1 1 959 . 10 1 1 A 84 84 THR H H 90 8.656 8.811 -0.155 1 1 960 . 10 1 1 A 84 84 THR HA H 90 4.203 4.939 -0.736 1 1 965 . 10 1 1 A 84 84 THR C C 90 172.890 173.123 -0.233 1 1 966 . 10 1 1 A 84 84 THR CA C 90 62.641 60.994 1.647 1 1 967 . 10 1 1 A 84 84 THR CB C 90 68.634 70.597 -1.963 1 1 969 . 10 1 1 A 84 84 THR N N 90 123.099 122.168 0.931 1 1 970 . 10 1 1 A 85 85 LEU H H 91 8.967 8.643 0.324 1 1 971 . 10 1 1 A 85 85 LEU HA H 91 4.256 4.630 -0.374 1 1 980 . 10 1 1 A 85 85 LEU C C 91 177.371 175.638 1.733 1 1 981 . 10 1 1 A 85 85 LEU CA C 91 55.527 53.907 1.620 1 1 982 . 10 1 1 A 85 85 LEU CB C 91 44.315 43.188 1.127 1 1 984 . 10 1 1 A 85 85 LEU N N 91 125.333 129.998 -4.665 1 1 985 . 10 1 1 A 86 86 GLU H H 92 7.503 7.915 -0.412 1 1 986 . 10 1 1 A 86 86 GLU HA H 92 5.026 5.046 -0.020 1 1 991 . 10 1 1 A 86 86 GLU C C 92 172.723 175.727 -3.004 1 1 992 . 10 1 1 A 86 86 GLU CA C 92 54.670 55.174 -0.504 1 1 993 . 10 1 1 A 86 86 GLU CB C 92 33.717 31.233 2.484 1 1 995 . 10 1 1 A 86 86 GLU N N 92 116.655 119.749 -3.094 1 1 996 . 10 1 1 A 87 87 SER H H 93 8.954 8.924 0.030 1 1 997 . 10 1 1 A 87 87 SER HA H 93 4.245 5.566 -1.321 1 1 1000 . 10 1 1 A 87 87 SER C C 93 172.763 173.252 -0.489 1 1 1001 . 10 1 1 A 87 87 SER CA C 93 57.328 56.963 0.365 1 1 1002 . 10 1 1 A 87 87 SER CB C 93 65.493 66.439 -0.946 1 1 1003 . 10 1 1 A 87 87 SER N N 93 117.941 118.171 -0.230 1 1 1004 . 10 1 1 A 88 88 GLY H H 94 6.932 8.371 -1.439 1 1 1005 . 10 1 1 A 88 88 GLY HA2 H 94 3.694 4.247 -0.553 1 1 1006 . 10 1 1 A 88 88 GLY HA3 H 94 3.694 4.248 -0.554 1 1 1007 . 10 1 1 A 88 88 GLY C C 94 171.117 171.793 -0.676 1 1 1008 . 10 1 1 A 88 88 GLY CA C 94 46.575 46.267 0.308 1 1 1009 . 10 1 1 A 88 88 GLY N N 94 108.625 107.546 1.079 1 1 1010 . 10 1 1 A 89 89 GLU H H 95 9.669 8.729 0.940 1 1 1011 . 10 1 1 A 89 89 GLU HA H 95 5.642 4.900 0.742 1 1 1016 . 10 1 1 A 89 89 GLU C C 95 173.226 175.099 -1.873 1 1 1017 . 10 1 1 A 89 89 GLU CA C 95 54.786 55.471 -0.685 1 1 1018 . 10 1 1 A 89 89 GLU CB C 95 34.334 30.921 3.413 1 1 1020 . 10 1 1 A 89 89 GLU N N 95 128.231 120.847 7.384 1 1 1021 . 10 1 1 A 90 90 PHE H H 96 10.365 8.816 1.549 1 1 1022 . 10 1 1 A 90 90 PHE HA H 96 5.048 4.469 0.579 1 1 1029 . 10 1 1 A 90 90 PHE C C 96 173.039 173.903 -0.864 1 1 1030 . 10 1 1 A 90 90 PHE CA C 96 54.616 56.636 -2.020 1 1 1031 . 10 1 1 A 90 90 PHE CB C 96 42.090 39.754 2.336 1 1 1032 . 10 1 1 A 90 90 PHE N N 96 131.583 129.313 2.270 1 1 1033 . 10 1 1 A 91 91 GLN H H 97 8.685 8.497 0.188 1 1 1034 . 10 1 1 A 91 91 GLN HA H 97 4.959 4.642 0.317 1 1 1041 . 10 1 1 A 91 91 GLN C C 97 174.151 174.757 -0.606 1 1 1042 . 10 1 1 A 91 91 GLN CA C 97 53.174 54.845 -1.671 1 1 1043 . 10 1 1 A 91 91 GLN CB C 97 28.812 30.059 -1.247 1 1 1045 . 10 1 1 A 91 91 GLN N N 97 126.465 127.901 -1.436 1 1 1047 . 10 1 1 A 92 92 VAL H H 98 8.675 9.103 -0.428 1 1 1048 . 10 1 1 A 92 92 VAL HA H 98 4.569 4.393 0.176 1 1 1056 . 10 1 1 A 92 92 VAL C C 98 173.802 174.014 -0.212 1 1 1057 . 10 1 1 A 92 92 VAL CA C 98 59.715 61.080 -1.365 1 1 1058 . 10 1 1 A 92 92 VAL CB C 98 35.074 33.433 1.641 1 1 1061 . 10 1 1 A 92 92 VAL N N 98 118.841 127.016 -8.175 1 1 1062 . 10 1 1 A 93 93 TYR H H 99 8.896 9.125 -0.229 1 1 1063 . 10 1 1 A 93 93 TYR HA H 99 4.940 4.773 0.167 1 1 1070 . 10 1 1 A 93 93 TYR C C 99 173.330 174.368 -1.038 1 1 1071 . 10 1 1 A 93 93 TYR CA C 99 56.948 56.464 0.484 1 1 1072 . 10 1 1 A 93 93 TYR CB C 99 40.780 39.648 1.132 1 1 1073 . 10 1 1 A 93 93 TYR N N 99 127.563 129.001 -1.438 1 1 1074 . 10 1 1 A 94 94 LYS H H 100 5.813 9.087 -3.274 1 1 1075 . 10 1 1 A 94 94 LYS HA H 100 4.248 5.033 -0.785 1 1 1082 . 10 1 1 A 94 94 LYS CA C 100 55.660 55.060 0.600 1 1 1083 . 10 1 1 A 94 94 LYS CB C 100 35.870 34.391 1.479 1 1 1084 . 10 1 1 A 94 94 LYS N N 100 128.378 127.221 1.157 1 1 1085 . 10 1 1 A 95 95 GLN H H 101 8.438 8.518 -0.080 1 1 1086 . 10 1 1 A 95 95 GLN HA H 101 5.028 4.693 0.335 1 1 1091 . 10 1 1 A 95 95 GLN C C 101 174.080 175.576 -1.496 1 1 1092 . 10 1 1 A 95 95 GLN CA C 101 54.043 54.862 -0.819 1 1 1093 . 10 1 1 A 95 95 GLN CB C 101 27.209 30.135 -2.926 1 1 1095 . 10 1 1 A 95 95 GLN N N 101 125.809 123.149 2.660 1 1 1096 . 10 1 1 A 96 96 SER H H 102 9.057 8.230 0.827 1 1 1097 . 10 1 1 A 96 96 SER HA H 102 3.041 4.530 -1.489 1 1 1100 . 10 1 1 A 96 96 SER CA C 102 62.985 59.723 3.262 1 1 1101 . 10 1 1 A 96 96 SER CB C 102 63.242 65.336 -2.094 1 1 1102 . 10 1 1 A 96 96 SER N N 102 117.650 116.803 0.847 1 1 1103 . 10 1 1 A 97 97 HIS H H 103 10.115 8.330 1.785 1 1 1104 . 10 1 1 A 97 97 HIS HA H 103 4.406 4.804 -0.398 1 1 1109 . 10 1 1 A 97 97 HIS CA C 103 53.809 56.084 -2.275 1 1 1110 . 10 1 1 A 97 97 HIS CB C 103 30.329 31.974 -1.645 1 1 1111 . 10 1 1 A 97 97 HIS N N 103 118.385 114.438 3.947 1 1 1112 . 10 1 1 A 98 98 SER H H 104 7.241 8.002 -0.761 1 1 1113 . 10 1 1 A 98 98 SER HA H 104 4.406 4.948 -0.542 1 1 1116 . 10 1 1 A 98 98 SER CA C 104 56.712 56.825 -0.113 1 1 1117 . 10 1 1 A 98 98 SER CB C 104 65.461 65.482 -0.021 1 1 1118 . 10 1 1 A 98 98 SER N N 104 112.298 112.526 -0.228 1 1 1119 . 10 1 1 A 99 99 ALA H H 105 8.418 8.829 -0.411 1 1 1120 . 10 1 1 A 99 99 ALA HA H 105 4.753 5.048 -0.295 1 1 1124 . 10 1 1 A 99 99 ALA C C 105 173.181 175.824 -2.643 1 1 1125 . 10 1 1 A 99 99 ALA CA C 105 51.363 51.326 0.037 1 1 1126 . 10 1 1 A 99 99 ALA CB C 105 22.271 23.272 -1.001 1 1 1127 . 10 1 1 A 99 99 ALA N N 105 116.790 122.715 -5.925 1 1 1128 . 10 1 1 A 100 100 LEU H H 106 8.376 8.717 -0.341 1 1 1129 . 10 1 1 A 100 100 LEU HA H 106 5.549 5.269 0.280 1 1 1139 . 10 1 1 A 100 100 LEU C C 106 175.338 175.137 0.201 1 1 1140 . 10 1 1 A 100 100 LEU CA C 106 53.753 53.254 0.499 1 1 1141 . 10 1 1 A 100 100 LEU CB C 106 46.393 46.442 -0.049 1 1 1145 . 10 1 1 A 100 100 LEU N N 106 115.214 117.476 -2.262 1 1 1146 . 10 1 1 A 101 101 THR H H 107 8.685 8.621 0.064 1 1 1147 . 10 1 1 A 101 101 THR HA H 107 5.287 5.235 0.052 1 1 1152 . 10 1 1 A 101 101 THR C C 107 172.493 173.517 -1.024 1 1 1153 . 10 1 1 A 101 101 THR CA C 107 57.069 60.775 -3.706 1 1 1154 . 10 1 1 A 101 101 THR CB C 107 71.308 71.603 -0.295 1 1 1156 . 10 1 1 A 101 101 THR N N 107 109.441 115.596 -6.155 1 1 1157 . 10 1 1 A 102 102 ALA H H 108 8.459 8.595 -0.136 1 1 1158 . 10 1 1 A 102 102 ALA HA H 108 4.366 5.502 -1.136 1 1 1162 . 10 1 1 A 102 102 ALA C C 108 173.439 175.823 -2.384 1 1 1163 . 10 1 1 A 102 102 ALA CA C 108 51.015 50.482 0.533 1 1 1164 . 10 1 1 A 102 102 ALA CB C 108 23.424 23.753 -0.329 1 1 1165 . 10 1 1 A 102 102 ALA N N 108 120.716 125.690 -4.974 1 1 1166 . 10 1 1 A 103 103 PHE H H 109 8.510 9.372 -0.862 1 1 1167 . 10 1 1 A 103 103 PHE HA H 109 4.715 5.187 -0.472 1 1 1175 . 10 1 1 A 103 103 PHE C C 109 174.173 175.164 -0.991 1 1 1176 . 10 1 1 A 103 103 PHE CA C 109 56.640 56.588 0.052 1 1 1177 . 10 1 1 A 103 103 PHE CB C 109 41.926 41.525 0.401 1 1 1178 . 10 1 1 A 103 103 PHE N N 109 115.041 119.322 -4.281 1 1 1179 . 10 1 1 A 104 104 GLN H H 110 9.832 8.732 1.100 1 1 1180 . 10 1 1 A 104 104 GLN HA H 110 5.226 4.853 0.373 1 1 1187 . 10 1 1 A 104 104 GLN C C 110 175.186 174.048 1.138 1 1 1188 . 10 1 1 A 104 104 GLN CA C 110 53.213 55.321 -2.108 1 1 1189 . 10 1 1 A 104 104 GLN CB C 110 29.161 29.774 -0.613 1 1 1191 . 10 1 1 A 104 104 GLN N N 110 124.526 122.219 2.307 1 1 1193 . 10 1 1 A 105 105 THR H H 111 9.566 8.605 0.961 1 1 1194 . 10 1 1 A 105 105 THR HA H 111 4.186 4.864 -0.678 1 1 1199 . 10 1 1 A 105 105 THR C C 111 174.538 175.383 -0.845 1 1 1200 . 10 1 1 A 105 105 THR CA C 111 66.408 60.586 5.822 1 1 1201 . 10 1 1 A 105 105 THR CB C 111 69.385 70.240 -0.855 1 1 1203 . 10 1 1 A 105 105 THR N N 111 126.760 121.372 5.388 1 1 1204 . 10 1 1 A 106 106 GLU H H 112 9.303 8.918 0.385 1 1 1205 . 10 1 1 A 106 106 GLU HA H 112 4.811 4.352 0.459 1 1 1210 . 10 1 1 A 106 106 GLU C C 112 177.397 176.659 0.738 1 1 1211 . 10 1 1 A 106 106 GLU CA C 112 56.227 57.260 -1.033 1 1 1212 . 10 1 1 A 106 106 GLU CB C 112 31.283 30.439 0.844 1 1 1214 . 10 1 1 A 106 106 GLU N N 112 121.685 124.820 -3.135 1 1 1215 . 10 1 1 A 107 107 GLN H H 113 7.954 7.746 0.208 1 1 1216 . 10 1 1 A 107 107 GLN HA H 113 5.233 4.984 0.249 1 1 1221 . 10 1 1 A 107 107 GLN C C 113 173.999 173.725 0.274 1 1 1222 . 10 1 1 A 107 107 GLN CA C 113 53.837 54.727 -0.890 1 1 1223 . 10 1 1 A 107 107 GLN CB C 113 32.543 32.064 0.479 1 1 1225 . 10 1 1 A 107 107 GLN N N 113 117.612 116.175 1.437 1 1 1226 . 10 1 1 A 108 108 ILE H H 114 8.969 8.992 -0.023 1 1 1227 . 10 1 1 A 108 108 ILE HA H 114 4.907 4.968 -0.061 1 1 1237 . 10 1 1 A 108 108 ILE C C 114 174.089 173.474 0.615 1 1 1238 . 10 1 1 A 108 108 ILE CA C 114 58.954 59.156 -0.202 1 1 1239 . 10 1 1 A 108 108 ILE CB C 114 42.799 42.106 0.693 1 1 1243 . 10 1 1 A 108 108 ILE N N 114 115.049 120.799 -5.750 1 1 1244 . 10 1 1 A 109 109 GLN H H 115 7.421 8.485 -1.064 1 1 1245 . 10 1 1 A 109 109 GLN HA H 115 4.405 4.737 -0.332 1 1 1252 . 10 1 1 A 109 109 GLN C C 115 175.654 174.454 1.200 1 1 1253 . 10 1 1 A 109 109 GLN CA C 115 56.086 56.051 0.035 1 1 1254 . 10 1 1 A 109 109 GLN CB C 115 28.483 29.321 -0.838 1 1 1256 . 10 1 1 A 109 109 GLN N N 115 121.959 126.324 -4.365 1 1 1258 . 10 1 1 A 110 110 ASP H H 116 8.569 9.167 -0.598 1 1 1259 . 10 1 1 A 110 110 ASP HA H 116 4.377 4.851 -0.474 1 1 1262 . 10 1 1 A 110 110 ASP C C 116 176.662 176.598 0.064 1 1 1263 . 10 1 1 A 110 110 ASP CA C 116 53.511 52.343 1.168 1 1 1264 . 10 1 1 A 110 110 ASP CB C 116 41.187 40.805 0.382 1 1 1265 . 10 1 1 A 110 110 ASP N N 116 125.621 127.374 -1.753 1 1 1266 . 10 1 1 A 111 111 SER H H 117 8.445 8.721 -0.276 1 1 1267 . 10 1 1 A 111 111 SER HA H 117 4.024 4.356 -0.332 1 1 1270 . 10 1 1 A 111 111 SER C C 117 174.783 175.104 -0.321 1 1 1271 . 10 1 1 A 111 111 SER CA C 117 60.782 59.630 1.152 1 1 1272 . 10 1 1 A 111 111 SER CB C 117 62.560 63.351 -0.791 1 1 1273 . 10 1 1 A 111 111 SER N N 117 120.732 119.808 0.924 1 1 1274 . 10 1 1 A 112 112 GLU H H 118 8.246 8.192 0.054 1 1 1275 . 10 1 1 A 112 112 GLU HA H 118 4.044 4.554 -0.510 1 1 1280 . 10 1 1 A 112 112 GLU C C 118 175.899 178.026 -2.127 1 1 1281 . 10 1 1 A 112 112 GLU CA C 118 56.016 56.753 -0.737 1 1 1282 . 10 1 1 A 112 112 GLU CB C 118 29.853 31.081 -1.228 1 1 1284 . 10 1 1 A 112 112 GLU N N 118 119.367 118.090 1.277 1 1 1285 . 10 1 1 A 113 113 HIS H H 119 7.418 8.075 -0.657 1 1 1286 . 10 1 1 A 113 113 HIS HA H 119 4.607 4.316 0.291 1 1 1291 . 10 1 1 A 113 113 HIS C C 119 173.527 175.610 -2.083 1 1 1292 . 10 1 1 A 113 113 HIS CA C 119 54.515 59.353 -4.838 1 1 1293 . 10 1 1 A 113 113 HIS CB C 119 28.667 30.769 -2.102 1 1 1294 . 10 1 1 A 113 113 HIS N N 119 117.287 118.756 -1.469 1 1 1295 . 10 1 1 A 114 114 SER H H 120 8.398 7.817 0.581 1 1 1296 . 10 1 1 A 114 114 SER HA H 120 4.183 4.720 -0.537 1 1 1299 . 10 1 1 A 114 114 SER C C 120 175.690 174.875 0.815 1 1 1300 . 10 1 1 A 114 114 SER CA C 120 59.149 57.729 1.420 1 1 1301 . 10 1 1 A 114 114 SER CB C 120 62.820 65.965 -3.145 1 1 1302 . 10 1 1 A 114 114 SER N N 120 116.771 112.543 4.228 1 1 1303 . 10 1 1 A 115 115 GLY H H 121 8.733 8.129 0.604 1 1 1304 . 10 1 1 A 115 115 GLY HA2 H 121 4.052 3.967 0.085 1 1 1305 . 10 1 1 A 115 115 GLY HA3 H 121 3.724 3.968 -0.244 1 1 1306 . 10 1 1 A 115 115 GLY C C 121 173.540 173.860 -0.320 1 1 1307 . 10 1 1 A 115 115 GLY CA C 121 44.692 46.378 -1.686 1 1 1308 . 10 1 1 A 115 115 GLY N N 121 112.197 110.154 2.043 1 1 1309 . 10 1 1 A 116 116 LYS H H 122 7.796 7.857 -0.061 1 1 1310 . 10 1 1 A 116 116 LYS HA H 122 4.465 4.898 -0.433 1 1 1317 . 10 1 1 A 116 116 LYS C C 122 175.090 174.636 0.454 1 1 1318 . 10 1 1 A 116 116 LYS CA C 122 55.122 54.285 0.837 1 1 1319 . 10 1 1 A 116 116 LYS CB C 122 33.861 36.129 -2.268 1 1 1322 . 10 1 1 A 116 116 LYS N N 122 120.212 118.820 1.392 1 1 1323 . 10 1 1 A 117 117 MET H H 123 8.348 8.784 -0.436 1 1 1324 . 10 1 1 A 117 117 MET HA H 123 5.082 5.189 -0.107 1 1 1332 . 10 1 1 A 117 117 MET C C 123 176.210 175.536 0.674 1 1 1333 . 10 1 1 A 117 117 MET CA C 123 52.928 54.269 -1.341 1 1 1334 . 10 1 1 A 117 117 MET CB C 123 33.841 34.817 -0.976 1 1 1337 . 10 1 1 A 117 117 MET N N 123 119.755 120.872 -1.117 1 1 1338 . 10 1 1 A 118 118 VAL H H 124 9.242 8.586 0.656 1 1 1339 . 10 1 1 A 118 118 VAL HA H 124 4.469 4.758 -0.289 1 1 1347 . 10 1 1 A 118 118 VAL C C 124 173.967 174.556 -0.589 1 1 1348 . 10 1 1 A 118 118 VAL CA C 124 59.056 59.980 -0.924 1 1 1349 . 10 1 1 A 118 118 VAL CB C 124 34.376 35.742 -1.366 1 1 1351 . 10 1 1 A 118 118 VAL N N 124 118.546 124.202 -5.656 1 1 1352 . 10 1 1 A 119 119 ALA H H 125 8.327 8.529 -0.202 1 1 1353 . 10 1 1 A 119 119 ALA HA H 125 4.624 4.468 0.156 1 1 1357 . 10 1 1 A 119 119 ALA C C 125 177.165 176.424 0.741 1 1 1358 . 10 1 1 A 119 119 ALA CA C 125 52.043 51.410 0.633 1 1 1359 . 10 1 1 A 119 119 ALA CB C 125 18.232 17.475 0.757 1 1 1360 . 10 1 1 A 119 119 ALA N N 125 125.947 128.064 -2.117 1 1 1361 . 10 1 1 A 120 120 LYS H H 126 7.604 7.647 -0.043 1 1 1362 . 10 1 1 A 120 120 LYS HA H 126 4.046 4.550 -0.504 1 1 1371 . 10 1 1 A 120 120 LYS C C 126 172.631 175.998 -3.367 1 1 1372 . 10 1 1 A 120 120 LYS CA C 126 56.023 55.387 0.636 1 1 1373 . 10 1 1 A 120 120 LYS CB C 126 34.482 30.641 3.841 1 1 1377 . 10 1 1 A 120 120 LYS N N 126 126.149 121.880 4.269 1 1 1378 . 10 1 1 A 121 121 ARG H H 127 8.308 8.230 0.078 1 1 1379 . 10 1 1 A 121 121 ARG HA H 127 4.901 4.660 0.241 1 1 1384 . 10 1 1 A 121 121 ARG C C 127 176.253 174.979 1.274 1 1 1385 . 10 1 1 A 121 121 ARG CA C 127 55.564 56.320 -0.756 1 1 1386 . 10 1 1 A 121 121 ARG CB C 127 28.273 29.344 -1.071 1 1 1388 . 10 1 1 A 121 121 ARG N N 127 122.760 121.525 1.235 1 1 1389 . 10 1 1 A 122 122 GLN H H 128 7.529 8.625 -1.096 1 1 1390 . 10 1 1 A 122 122 GLN HA H 128 4.541 4.968 -0.427 1 1 1397 . 10 1 1 A 122 122 GLN C C 128 172.163 174.294 -2.131 1 1 1398 . 10 1 1 A 122 122 GLN CA C 128 54.218 54.341 -0.123 1 1 1399 . 10 1 1 A 122 122 GLN CB C 128 32.064 30.975 1.089 1 1 1401 . 10 1 1 A 122 122 GLN N N 128 121.022 125.484 -4.462 1 1 1403 . 10 1 1 A 123 123 PHE H H 129 8.620 9.054 -0.434 1 1 1404 . 10 1 1 A 123 123 PHE HA H 129 6.040 5.679 0.361 1 1 1411 . 10 1 1 A 123 123 PHE C C 129 174.530 173.882 0.648 1 1 1412 . 10 1 1 A 123 123 PHE CA C 129 56.026 56.030 -0.004 1 1 1413 . 10 1 1 A 123 123 PHE CB C 129 42.143 41.663 0.480 1 1 1414 . 10 1 1 A 123 123 PHE N N 129 125.540 129.362 -3.822 1 1 1415 . 10 1 1 A 124 124 ARG H H 130 8.018 8.735 -0.717 1 1 1416 . 10 1 1 A 124 124 ARG HA H 130 4.366 4.611 -0.245 1 1 1423 . 10 1 1 A 124 124 ARG C C 130 172.139 173.768 -1.629 1 1 1424 . 10 1 1 A 124 124 ARG CA C 130 53.422 54.027 -0.605 1 1 1425 . 10 1 1 A 124 124 ARG CB C 130 32.310 33.589 -1.279 1 1 1428 . 10 1 1 A 124 124 ARG N N 130 125.264 123.915 1.349 1 1 1429 . 10 1 1 A 125 125 ILE H H 131 8.462 8.449 0.013 1 1 1430 . 10 1 1 A 125 125 ILE HA H 131 3.883 4.902 -1.019 1 1 1440 . 10 1 1 A 125 125 ILE C C 131 175.487 174.973 0.514 1 1 1441 . 10 1 1 A 125 125 ILE CA C 131 58.339 59.997 -1.658 1 1 1442 . 10 1 1 A 125 125 ILE CB C 131 35.673 40.160 -4.487 1 1 1446 . 10 1 1 A 125 125 ILE N N 131 121.887 122.047 -0.160 1 1 1447 . 10 1 1 A 126 126 GLY H H 132 8.814 8.228 0.586 1 1 1448 . 10 1 1 A 126 126 GLY HA2 H 132 4.062 4.230 -0.168 1 1 1449 . 10 1 1 A 126 126 GLY HA3 H 132 4.062 4.232 -0.170 1 1 1450 . 10 1 1 A 126 126 GLY C C 132 171.583 172.542 -0.959 1 1 1451 . 10 1 1 A 126 126 GLY CA C 132 44.157 45.907 -1.750 1 1 1452 . 10 1 1 A 126 126 GLY N N 132 115.675 114.984 0.691 1 1 1453 . 10 1 1 A 127 127 ASP H H 133 7.914 8.048 -0.134 1 1 1454 . 10 1 1 A 127 127 ASP HA H 133 4.584 5.333 -0.749 1 1 1457 . 10 1 1 A 127 127 ASP C C 133 174.132 174.252 -0.120 1 1 1458 . 10 1 1 A 127 127 ASP CA C 133 54.822 53.289 1.533 1 1 1459 . 10 1 1 A 127 127 ASP CB C 133 45.407 44.872 0.535 1 1 1460 . 10 1 1 A 127 127 ASP N N 133 123.737 119.321 4.416 1 1 1461 . 10 1 1 A 128 128 ILE H H 134 8.258 8.941 -0.683 1 1 1462 . 10 1 1 A 128 128 ILE HA H 134 4.392 4.961 -0.569 1 1 1472 . 10 1 1 A 128 128 ILE C C 134 174.799 174.424 0.375 1 1 1473 . 10 1 1 A 128 128 ILE CA C 134 61.596 60.498 1.098 1 1 1474 . 10 1 1 A 128 128 ILE CB C 134 37.549 40.719 -3.170 1 1 1478 . 10 1 1 A 128 128 ILE N N 134 119.105 122.429 -3.324 1 1 1479 . 10 1 1 A 129 129 ALA H H 135 8.607 8.846 -0.239 1 1 1480 . 10 1 1 A 129 129 ALA HA H 135 4.757 5.466 -0.709 1 1 1484 . 10 1 1 A 129 129 ALA C C 135 173.358 176.511 -3.153 1 1 1485 . 10 1 1 A 129 129 ALA CA C 135 50.608 50.505 0.103 1 1 1486 . 10 1 1 A 129 129 ALA CB C 135 23.348 22.839 0.509 1 1 1487 . 10 1 1 A 129 129 ALA N N 135 129.336 129.650 -0.314 1 1 1488 . 10 1 1 A 130 130 GLY H H 136 7.514 8.510 -0.996 1 1 1489 . 10 1 1 A 130 130 GLY HA2 H 136 3.551 4.116 -0.565 1 1 1490 . 10 1 1 A 130 130 GLY HA3 H 136 4.422 4.229 0.193 1 1 1491 . 10 1 1 A 130 130 GLY C C 136 172.609 172.167 0.442 1 1 1492 . 10 1 1 A 130 130 GLY CA C 136 44.315 45.954 -1.639 1 1 1493 . 10 1 1 A 130 130 GLY N N 136 101.232 108.395 -7.163 1 1 1494 . 10 1 1 A 131 131 GLU H H 137 8.225 8.587 -0.362 1 1 1495 . 10 1 1 A 131 131 GLU HA H 137 4.540 4.718 -0.178 1 1 1500 . 10 1 1 A 131 131 GLU C C 137 174.864 176.009 -1.145 1 1 1501 . 10 1 1 A 131 131 GLU CA C 137 53.120 56.245 -3.125 1 1 1502 . 10 1 1 A 131 131 GLU CB C 137 28.254 30.100 -1.846 1 1 1504 . 10 1 1 A 131 131 GLU N N 137 121.002 120.341 0.661 1 1 1505 . 10 1 1 A 132 132 HIS H H 138 8.054 8.972 -0.918 1 1 1506 . 10 1 1 A 132 132 HIS HA H 138 4.771 4.506 0.265 1 1 1511 . 10 1 1 A 132 132 HIS C C 138 175.411 175.036 0.375 1 1 1512 . 10 1 1 A 132 132 HIS CA C 138 57.942 56.557 1.385 1 1 1513 . 10 1 1 A 132 132 HIS CB C 138 27.710 30.732 -3.022 1 1 1514 . 10 1 1 A 132 132 HIS N N 138 124.204 125.097 -0.893 1 1 1515 . 10 1 1 A 133 133 THR H H 139 9.056 8.066 0.990 1 1 1516 . 10 1 1 A 133 133 THR HA H 139 3.864 4.947 -1.083 1 1 1521 . 10 1 1 A 133 133 THR C C 139 174.178 173.816 0.362 1 1 1522 . 10 1 1 A 133 133 THR CA C 139 63.225 59.714 3.511 1 1 1523 . 10 1 1 A 133 133 THR CB C 139 68.127 71.749 -3.622 1 1 1525 . 10 1 1 A 133 133 THR N N 139 125.345 113.243 12.102 1 1 1526 . 10 1 1 A 134 134 SER H H 140 8.834 8.723 0.111 1 1 1527 . 10 1 1 A 134 134 SER HA H 140 4.560 4.352 0.208 1 1 1530 . 10 1 1 A 134 134 SER C C 140 176.713 175.929 0.784 1 1 1531 . 10 1 1 A 134 134 SER CA C 140 57.961 59.514 -1.553 1 1 1532 . 10 1 1 A 134 134 SER CB C 140 63.030 63.500 -0.470 1 1 1533 . 10 1 1 A 134 134 SER N N 140 121.791 119.640 2.151 1 1 1534 . 10 1 1 A 135 135 PHE H H 141 9.597 8.179 1.418 1 1 1535 . 10 1 1 A 135 135 PHE HA H 141 3.953 4.177 -0.224 1 1 1542 . 10 1 1 A 135 135 PHE C C 141 175.375 176.290 -0.915 1 1 1543 . 10 1 1 A 135 135 PHE CA C 141 61.339 60.529 0.810 1 1 1544 . 10 1 1 A 135 135 PHE CB C 141 39.394 38.189 1.205 1 1 1545 . 10 1 1 A 135 135 PHE N N 141 128.822 122.840 5.982 1 1 1546 . 10 1 1 A 136 136 ASP H H 142 8.017 7.658 0.359 1 1 1547 . 10 1 1 A 136 136 ASP HA H 142 4.352 4.609 -0.257 1 1 1550 . 10 1 1 A 136 136 ASP C C 142 175.358 176.829 -1.471 1 1 1551 . 10 1 1 A 136 136 ASP CA C 142 55.223 55.055 0.168 1 1 1552 . 10 1 1 A 136 136 ASP CB C 142 40.968 40.210 0.758 1 1 1553 . 10 1 1 A 136 136 ASP N N 142 113.108 119.245 -6.137 1 1 1554 . 10 1 1 A 137 137 LYS H H 143 7.340 7.840 -0.500 1 1 1555 . 10 1 1 A 137 137 LYS HA H 143 4.439 4.440 -0.001 1 1 1564 . 10 1 1 A 137 137 LYS C C 143 175.571 176.181 -0.610 1 1 1565 . 10 1 1 A 137 137 LYS CA C 143 54.096 55.642 -1.546 1 1 1566 . 10 1 1 A 137 137 LYS CB C 143 32.545 34.203 -1.658 1 1 1570 . 10 1 1 A 137 137 LYS N N 143 117.716 117.448 0.268 1 1 1571 . 10 1 1 A 138 138 LEU H H 144 6.698 7.598 -0.900 1 1 1572 . 10 1 1 A 138 138 LEU HA H 144 3.903 4.576 -0.673 1 1 1582 . 10 1 1 A 138 138 LEU C C 144 174.123 176.793 -2.670 1 1 1583 . 10 1 1 A 138 138 LEU CA C 144 52.843 53.081 -0.238 1 1 1584 . 10 1 1 A 138 138 LEU CB C 144 40.993 41.139 -0.146 1 1 1588 . 10 1 1 A 138 138 LEU N N 144 120.536 120.789 -0.253 1 1 1589 . 10 1 1 A 139 139 PRO HA H 145 4.040 4.457 -0.417 1 1 1596 . 10 1 1 A 139 139 PRO C C 145 172.700 176.959 -4.259 1 1 1597 . 10 1 1 A 139 139 PRO CA C 145 62.654 64.158 -1.504 1 1 1598 . 10 1 1 A 139 139 PRO CB C 145 30.086 32.083 -1.997 1 1 1601 . 10 1 1 A 140 140 GLU H H 146 8.343 8.212 0.131 1 1 1602 . 10 1 1 A 140 140 GLU HA H 146 3.970 4.159 -0.189 1 1 1607 . 10 1 1 A 140 140 GLU C C 146 176.009 176.086 -0.077 1 1 1608 . 10 1 1 A 140 140 GLU CA C 146 56.119 58.079 -1.960 1 1 1609 . 10 1 1 A 140 140 GLU CB C 146 30.086 27.006 3.080 1 1 1611 . 10 1 1 A 140 140 GLU N N 146 119.063 114.980 4.083 1 1 1612 . 10 1 1 A 141 141 GLY H H 147 7.241 8.287 -1.046 1 1 1613 . 10 1 1 A 141 141 GLY HA2 H 147 3.918 3.972 -0.054 1 1 1614 . 10 1 1 A 141 141 GLY HA3 H 147 3.814 3.974 -0.160 1 1 1615 . 10 1 1 A 141 141 GLY C C 147 171.657 174.470 -2.813 1 1 1616 . 10 1 1 A 141 141 GLY CA C 147 43.929 46.008 -2.079 1 1 1617 . 10 1 1 A 141 141 GLY N N 147 104.270 106.415 -2.145 1 1 1618 . 10 1 1 A 142 142 GLY H H 148 8.241 7.886 0.355 1 1 1619 . 10 1 1 A 142 142 GLY HA2 H 148 3.710 4.036 -0.326 1 1 1620 . 10 1 1 A 142 142 GLY HA3 H 148 4.350 4.063 0.287 1 1 1621 . 10 1 1 A 142 142 GLY C C 148 171.767 172.612 -0.845 1 1 1622 . 10 1 1 A 142 142 GLY CA C 148 43.649 44.719 -1.070 1 1 1623 . 10 1 1 A 142 142 GLY N N 148 106.996 108.303 -1.307 1 1 1624 . 10 1 1 A 143 143 ARG H H 149 8.214 8.662 -0.448 1 1 1625 . 10 1 1 A 143 143 ARG HA H 149 5.376 5.240 0.136 1 1 1632 . 10 1 1 A 143 143 ARG C C 149 174.981 173.862 1.119 1 1 1633 . 10 1 1 A 143 143 ARG CA C 149 54.235 53.837 0.398 1 1 1634 . 10 1 1 A 143 143 ARG CB C 149 32.988 33.846 -0.858 1 1 1637 . 10 1 1 A 143 143 ARG N N 149 117.762 120.291 -2.529 1 1 1638 . 10 1 1 A 144 144 ALA H H 150 9.030 9.060 -0.030 1 1 1639 . 10 1 1 A 144 144 ALA HA H 150 4.730 5.042 -0.312 1 1 1643 . 10 1 1 A 144 144 ALA C C 150 175.012 175.742 -0.730 1 1 1644 . 10 1 1 A 144 144 ALA CA C 150 50.732 50.237 0.495 1 1 1645 . 10 1 1 A 144 144 ALA CB C 150 23.448 21.113 2.335 1 1 1646 . 10 1 1 A 144 144 ALA N N 150 126.630 122.455 4.175 1 1 1647 . 10 1 1 A 145 145 THR H H 151 8.560 8.452 0.108 1 1 1648 . 10 1 1 A 145 145 THR HA H 151 4.846 4.684 0.162 1 1 1653 . 10 1 1 A 145 145 THR C C 151 171.870 172.977 -1.107 1 1 1654 . 10 1 1 A 145 145 THR CA C 151 61.997 62.139 -0.142 1 1 1655 . 10 1 1 A 145 145 THR CB C 151 69.746 70.311 -0.565 1 1 1657 . 10 1 1 A 145 145 THR N N 151 117.942 117.926 0.016 1 1 1658 . 10 1 1 A 146 146 TYR H H 152 10.008 8.672 1.336 1 1 1659 . 10 1 1 A 146 146 TYR HA H 152 4.580 5.151 -0.571 1 1 1666 . 10 1 1 A 146 146 TYR C C 152 174.627 174.972 -0.345 1 1 1667 . 10 1 1 A 146 146 TYR CA C 152 55.835 56.325 -0.490 1 1 1668 . 10 1 1 A 146 146 TYR CB C 152 40.094 43.249 -3.155 1 1 1669 . 10 1 1 A 146 146 TYR N N 152 126.097 123.407 2.690 1 1 1670 . 10 1 1 A 147 147 ARG H H 153 8.860 8.813 0.047 1 1 1671 . 10 1 1 A 147 147 ARG HA H 153 5.404 5.346 0.058 1 1 1678 . 10 1 1 A 147 147 ARG C C 153 177.446 175.902 1.544 1 1 1679 . 10 1 1 A 147 147 ARG CA C 153 54.024 54.883 -0.859 1 1 1680 . 10 1 1 A 147 147 ARG CB C 153 33.539 34.374 -0.835 1 1 1683 . 10 1 1 A 147 147 ARG N N 153 121.042 120.606 0.436 1 1 1684 . 10 1 1 A 148 148 GLY H H 154 8.916 8.197 0.719 1 1 1685 . 10 1 1 A 148 148 GLY HA2 H 154 4.816 4.300 0.516 1 1 1686 . 10 1 1 A 148 148 GLY HA3 H 154 4.422 4.307 0.115 1 1 1687 . 10 1 1 A 148 148 GLY C C 154 173.831 171.473 2.358 1 1 1688 . 10 1 1 A 148 148 GLY CA C 154 46.752 45.453 1.299 1 1 1689 . 10 1 1 A 148 148 GLY N N 154 114.154 109.260 4.894 1 1 1690 . 10 1 1 A 149 149 THR H H 155 9.063 8.671 0.392 1 1 1691 . 10 1 1 A 149 149 THR HA H 155 4.711 4.805 -0.094 1 1 1696 . 10 1 1 A 149 149 THR C C 155 170.370 174.481 -4.111 1 1 1697 . 10 1 1 A 149 149 THR CA C 155 62.316 62.766 -0.450 1 1 1698 . 10 1 1 A 149 149 THR CB C 155 72.596 70.362 2.234 1 1 1700 . 10 1 1 A 149 149 THR N N 155 126.410 116.112 10.298 1 1 1701 . 10 1 1 A 150 150 ALA H H 156 7.091 9.040 -1.949 1 1 1702 . 10 1 1 A 150 150 ALA HA H 156 5.289 5.268 0.021 1 1 1706 . 10 1 1 A 150 150 ALA C C 156 173.965 176.117 -2.152 1 1 1707 . 10 1 1 A 150 150 ALA CA C 156 48.843 50.634 -1.791 1 1 1708 . 10 1 1 A 150 150 ALA CB C 156 22.573 20.478 2.095 1 1 1709 . 10 1 1 A 150 150 ALA N N 156 127.540 127.503 0.037 1 1 1710 . 10 1 1 A 151 151 PHE H H 157 8.536 8.448 0.088 1 1 1711 . 10 1 1 A 151 151 PHE HA H 157 5.442 5.836 -0.394 1 1 1718 . 10 1 1 A 151 151 PHE C C 157 171.891 174.276 -2.385 1 1 1719 . 10 1 1 A 151 151 PHE CA C 157 53.282 55.338 -2.056 1 1 1720 . 10 1 1 A 151 151 PHE CB C 157 41.020 41.811 -0.791 1 1 1721 . 10 1 1 A 151 151 PHE N N 157 117.013 120.806 -3.793 1 1 1722 . 10 1 1 A 152 152 GLY H H 158 8.548 8.757 -0.209 1 1 1723 . 10 1 1 A 152 152 GLY HA2 H 158 4.003 4.034 -0.031 1 1 1724 . 10 1 1 A 152 152 GLY HA3 H 158 3.124 4.208 -1.084 1 1 1725 . 10 1 1 A 152 152 GLY C C 158 173.148 174.442 -1.294 1 1 1726 . 10 1 1 A 152 152 GLY CA C 158 42.630 45.306 -2.676 1 1 1727 . 10 1 1 A 152 152 GLY N N 158 108.356 108.480 -0.124 1 1 1728 . 10 1 1 A 153 153 SER H H 159 7.610 8.660 -1.050 1 1 1729 . 10 1 1 A 153 153 SER HA H 159 3.421 4.587 -1.166 1 1 1732 . 10 1 1 A 153 153 SER C C 159 176.057 174.519 1.538 1 1 1733 . 10 1 1 A 153 153 SER CA C 159 58.787 59.222 -0.435 1 1 1734 . 10 1 1 A 153 153 SER CB C 159 61.886 62.431 -0.545 1 1 1735 . 10 1 1 A 153 153 SER N N 159 115.173 115.303 -0.130 1 1 1736 . 10 1 1 A 154 154 ASP H H 160 9.894 8.825 1.069 1 1 1737 . 10 1 1 A 154 154 ASP HA H 160 4.168 5.024 -0.856 1 1 1740 . 10 1 1 A 154 154 ASP C C 160 175.191 177.426 -2.235 1 1 1741 . 10 1 1 A 154 154 ASP CA C 160 55.398 55.792 -0.394 1 1 1742 . 10 1 1 A 154 154 ASP CB C 160 39.212 43.457 -4.245 1 1 1743 . 10 1 1 A 154 154 ASP N N 160 124.828 120.461 4.367 1 1 1744 . 10 1 1 A 155 155 ASP H H 161 7.520 8.212 -0.692 1 1 1745 . 10 1 1 A 155 155 ASP HA H 161 4.568 4.788 -0.220 1 1 1748 . 10 1 1 A 155 155 ASP C C 161 172.658 175.905 -3.247 1 1 1749 . 10 1 1 A 155 155 ASP CA C 161 54.342 55.832 -1.490 1 1 1750 . 10 1 1 A 155 155 ASP CB C 161 40.619 42.242 -1.623 1 1 1751 . 10 1 1 A 155 155 ASP N N 161 116.749 119.050 -2.301 1 1 1752 . 10 1 1 A 156 156 ALA H H 162 8.544 8.231 0.313 1 1 1753 . 10 1 1 A 156 156 ALA HA H 162 4.916 4.270 0.646 1 1 1757 . 10 1 1 A 156 156 ALA C C 162 177.708 177.793 -0.085 1 1 1758 . 10 1 1 A 156 156 ALA CA C 162 49.878 53.954 -4.076 1 1 1759 . 10 1 1 A 156 156 ALA CB C 162 17.473 18.205 -0.732 1 1 1760 . 10 1 1 A 156 156 ALA N N 162 128.246 120.260 7.986 1 1 1761 . 10 1 1 A 157 157 GLY H H 163 8.406 8.458 -0.052 1 1 1762 . 10 1 1 A 157 157 GLY HA2 H 163 4.286 4.025 0.261 1 1 1763 . 10 1 1 A 157 157 GLY HA3 H 163 3.894 4.049 -0.155 1 1 1764 . 10 1 1 A 157 157 GLY C C 163 174.344 174.615 -0.271 1 1 1765 . 10 1 1 A 157 157 GLY CA C 163 45.049 45.729 -0.680 1 1 1766 . 10 1 1 A 157 157 GLY N N 163 106.545 105.665 0.880 1 1 1767 . 10 1 1 A 158 158 GLY H H 164 7.128 8.072 -0.944 1 1 1768 . 10 1 1 A 158 158 GLY HA2 H 164 4.118 4.103 0.015 1 1 1769 . 10 1 1 A 158 158 GLY HA3 H 164 3.641 4.114 -0.473 1 1 1770 . 10 1 1 A 158 158 GLY C C 164 173.903 172.985 0.918 1 1 1771 . 10 1 1 A 158 158 GLY CA C 164 45.225 45.062 0.163 1 1 1772 . 10 1 1 A 158 158 GLY N N 164 106.404 107.576 -1.172 1 1 1773 . 10 1 1 A 159 159 LYS H H 165 9.647 8.309 1.338 1 1 1774 . 10 1 1 A 159 159 LYS HA H 165 5.052 5.020 0.032 1 1 1781 . 10 1 1 A 159 159 LYS C C 165 174.390 175.691 -1.301 1 1 1782 . 10 1 1 A 159 159 LYS CA C 165 53.501 54.402 -0.901 1 1 1783 . 10 1 1 A 159 159 LYS CB C 165 34.622 36.495 -1.873 1 1 1786 . 10 1 1 A 159 159 LYS N N 165 123.930 120.948 2.982 1 1 1787 . 10 1 1 A 160 160 LEU H H 166 7.706 8.954 -1.248 1 1 1788 . 10 1 1 A 160 160 LEU HA H 166 4.873 5.340 -0.467 1 1 1798 . 10 1 1 A 160 160 LEU C C 166 174.825 175.307 -0.482 1 1 1799 . 10 1 1 A 160 160 LEU CA C 166 52.677 52.859 -0.182 1 1 1800 . 10 1 1 A 160 160 LEU CB C 166 44.629 46.447 -1.818 1 1 1804 . 10 1 1 A 160 160 LEU N N 166 126.271 118.821 7.450 1 1 1805 . 10 1 1 A 161 161 THR H H 167 8.374 8.933 -0.559 1 1 1806 . 10 1 1 A 161 161 THR HA H 167 4.949 5.019 -0.070 1 1 1811 . 10 1 1 A 161 161 THR C C 167 172.102 172.762 -0.660 1 1 1812 . 10 1 1 A 161 161 THR CA C 167 61.761 61.743 0.018 1 1 1813 . 10 1 1 A 161 161 THR CB C 167 70.169 69.771 0.398 1 1 1815 . 10 1 1 A 161 161 THR N N 167 122.977 116.225 6.752 1 1 1816 . 10 1 1 A 162 162 TYR H H 168 9.174 8.987 0.187 1 1 1817 . 10 1 1 A 162 162 TYR HA H 168 4.766 5.134 -0.368 1 1 1824 . 10 1 1 A 162 162 TYR C C 168 172.249 174.766 -2.517 1 1 1825 . 10 1 1 A 162 162 TYR CA C 168 58.162 57.677 0.485 1 1 1826 . 10 1 1 A 162 162 TYR CB C 168 43.746 41.065 2.681 1 1 1827 . 10 1 1 A 162 162 TYR N N 168 128.112 128.488 -0.376 1 1 1828 . 10 1 1 A 163 163 THR H H 169 8.711 8.286 0.425 1 1 1829 . 10 1 1 A 163 163 THR HA H 169 5.402 5.024 0.378 1 1 1834 . 10 1 1 A 163 163 THR C C 169 172.520 172.730 -0.210 1 1 1835 . 10 1 1 A 163 163 THR CA C 169 60.804 61.585 -0.781 1 1 1836 . 10 1 1 A 163 163 THR CB C 169 70.818 71.106 -0.288 1 1 1838 . 10 1 1 A 163 163 THR N N 169 124.549 121.332 3.217 1 1 1839 . 10 1 1 A 164 164 ILE H H 170 8.927 9.266 -0.339 1 1 1840 . 10 1 1 A 164 164 ILE HA H 170 4.313 5.011 -0.698 1 1 1850 . 10 1 1 A 164 164 ILE C C 170 173.105 174.117 -1.012 1 1 1851 . 10 1 1 A 164 164 ILE CA C 170 60.595 60.221 0.374 1 1 1852 . 10 1 1 A 164 164 ILE CB C 170 41.274 41.058 0.216 1 1 1856 . 10 1 1 A 164 164 ILE N N 170 123.685 128.507 -4.822 1 1 1857 . 10 1 1 A 165 165 ASP H H 171 8.372 9.122 -0.750 1 1 1858 . 10 1 1 A 165 165 ASP HA H 171 4.750 4.747 0.003 1 1 1861 . 10 1 1 A 165 165 ASP C C 171 177.213 176.145 1.068 1 1 1862 . 10 1 1 A 165 165 ASP CA C 171 51.669 54.311 -2.642 1 1 1863 . 10 1 1 A 165 165 ASP CB C 171 41.730 39.934 1.796 1 1 1864 . 10 1 1 A 165 165 ASP N N 171 125.168 129.644 -4.476 1 1 1865 . 10 1 1 A 166 166 PHE H H 172 8.968 8.014 0.954 1 1 1866 . 10 1 1 A 166 166 PHE HA H 172 3.879 4.222 -0.343 1 1 1874 . 10 1 1 A 166 166 PHE C C 172 176.940 178.127 -1.187 1 1 1875 . 10 1 1 A 166 166 PHE CA C 172 61.543 60.469 1.074 1 1 1876 . 10 1 1 A 166 166 PHE CB C 172 37.424 38.918 -1.494 1 1 1877 . 10 1 1 A 166 166 PHE N N 172 123.597 121.978 1.619 1 1 1878 . 10 1 1 A 167 167 ALA H H 173 8.266 8.316 -0.050 1 1 1879 . 10 1 1 A 167 167 ALA HA H 173 4.322 4.449 -0.127 1 1 1883 . 10 1 1 A 167 167 ALA C C 173 178.888 177.970 0.918 1 1 1884 . 10 1 1 A 167 167 ALA CA C 173 54.458 53.690 0.768 1 1 1885 . 10 1 1 A 167 167 ALA CB C 173 17.591 18.523 -0.932 1 1 1886 . 10 1 1 A 167 167 ALA N N 173 122.113 121.488 0.625 1 1 1887 . 10 1 1 A 168 168 ALA H H 174 7.405 7.901 -0.496 1 1 1888 . 10 1 1 A 168 168 ALA HA H 174 4.096 4.400 -0.304 1 1 1892 . 10 1 1 A 168 168 ALA C C 174 176.605 177.265 -0.660 1 1 1893 . 10 1 1 A 168 168 ALA CA C 174 51.225 51.447 -0.222 1 1 1894 . 10 1 1 A 168 168 ALA CB C 174 18.307 20.023 -1.716 1 1 1895 . 10 1 1 A 168 168 ALA N N 174 118.760 120.365 -1.605 1 1 1896 . 10 1 1 A 169 169 LYS H H 175 7.906 7.825 0.081 1 1 1897 . 10 1 1 A 169 169 LYS HA H 175 3.391 3.880 -0.489 1 1 1904 . 10 1 1 A 169 169 LYS C C 175 174.608 175.002 -0.394 1 1 1905 . 10 1 1 A 169 169 LYS CA C 175 57.049 57.496 -0.447 1 1 1906 . 10 1 1 A 169 169 LYS CB C 175 30.051 30.748 -0.697 1 1 1909 . 10 1 1 A 169 169 LYS N N 175 114.394 117.352 -2.958 1 1 1910 . 10 1 1 A 170 170 GLN H H 176 7.629 7.148 0.481 1 1 1911 . 10 1 1 A 170 170 GLN HA H 176 5.414 4.786 0.628 1 1 1918 . 10 1 1 A 170 170 GLN C C 176 174.325 174.460 -0.135 1 1 1919 . 10 1 1 A 170 170 GLN CA C 176 54.393 54.249 0.144 1 1 1920 . 10 1 1 A 170 170 GLN CB C 176 34.771 30.817 3.954 1 1 1922 . 10 1 1 A 170 170 GLN N N 176 116.433 117.889 -1.456 1 1 1924 . 10 1 1 A 171 171 GLY H H 177 8.854 9.367 -0.513 1 1 1925 . 10 1 1 A 171 171 GLY HA2 H 177 5.205 4.195 1.010 1 1 1926 . 10 1 1 A 171 171 GLY HA3 H 177 3.526 4.353 -0.827 1 1 1927 . 10 1 1 A 171 171 GLY C C 177 170.842 171.999 -1.157 1 1 1928 . 10 1 1 A 171 171 GLY CA C 177 44.621 45.191 -0.570 1 1 1929 . 10 1 1 A 171 171 GLY N N 177 110.189 112.860 -2.671 1 1 1930 . 10 1 1 A 172 172 ASN H H 178 7.637 8.979 -1.342 1 1 1931 . 10 1 1 A 172 172 ASN HA H 178 4.224 5.533 -1.309 1 1 1936 . 10 1 1 A 172 172 ASN C C 178 171.546 173.687 -2.141 1 1 1937 . 10 1 1 A 172 172 ASN CA C 178 53.729 50.968 2.761 1 1 1938 . 10 1 1 A 172 172 ASN CB C 178 41.543 41.678 -0.135 1 1 1939 . 10 1 1 A 172 172 ASN N N 178 112.667 122.364 -9.697 1 1 1941 . 10 1 1 A 173 173 GLY H H 179 9.103 8.301 0.802 1 1 1942 . 10 1 1 A 173 173 GLY HA2 H 179 4.491 4.230 0.261 1 1 1943 . 10 1 1 A 173 173 GLY HA3 H 179 4.084 4.250 -0.166 1 1 1944 . 10 1 1 A 173 173 GLY C C 179 172.400 171.554 0.846 1 1 1945 . 10 1 1 A 173 173 GLY CA C 179 47.199 46.010 1.189 1 1 1946 . 10 1 1 A 173 173 GLY N N 179 106.686 108.165 -1.479 1 1 1947 . 10 1 1 A 174 174 LYS H H 180 9.179 8.385 0.794 1 1 1948 . 10 1 1 A 174 174 LYS HA H 180 4.821 4.988 -0.167 1 1 1957 . 10 1 1 A 174 174 LYS C C 180 172.518 174.752 -2.234 1 1 1958 . 10 1 1 A 174 174 LYS CA C 180 56.617 55.279 1.338 1 1 1959 . 10 1 1 A 174 174 LYS CB C 180 35.373 35.537 -0.164 1 1 1963 . 10 1 1 A 174 174 LYS N N 180 121.816 116.599 5.217 1 1 1964 . 10 1 1 A 175 175 ILE H H 181 8.351 8.435 -0.084 1 1 1965 . 10 1 1 A 175 175 ILE HA H 181 4.581 4.614 -0.033 1 1 1973 . 10 1 1 A 175 175 ILE C C 181 173.997 175.886 -1.889 1 1 1974 . 10 1 1 A 175 175 ILE CA C 181 60.490 59.893 0.597 1 1 1975 . 10 1 1 A 175 175 ILE CB C 181 39.573 38.624 0.949 1 1 1978 . 10 1 1 A 175 175 ILE N N 181 123.400 122.339 1.061 1 1 1979 . 10 1 1 A 176 176 GLU H H 182 8.492 8.891 -0.399 1 1 1980 . 10 1 1 A 176 176 GLU HA H 182 4.471 4.888 -0.417 1 1 1985 . 10 1 1 A 176 176 GLU C C 182 175.392 175.062 0.330 1 1 1986 . 10 1 1 A 176 176 GLU CA C 182 53.410 55.919 -2.509 1 1 1987 . 10 1 1 A 176 176 GLU CB C 182 35.479 32.957 2.522 1 1 1989 . 10 1 1 A 176 176 GLU N N 182 122.287 124.736 -2.449 1 1 1990 . 10 1 1 A 177 177 HIS H H 183 8.431 8.752 -0.321 1 1 1991 . 10 1 1 A 177 177 HIS HA H 183 3.975 4.644 -0.669 1 1 1996 . 10 1 1 A 177 177 HIS C C 183 176.008 174.814 1.194 1 1 1997 . 10 1 1 A 177 177 HIS CA C 183 57.533 56.432 1.101 1 1 1998 . 10 1 1 A 177 177 HIS CB C 183 27.362 32.640 -5.278 1 1 1999 . 10 1 1 A 177 177 HIS N N 183 109.605 124.462 -14.857 1 1 2000 . 10 1 1 A 178 178 LEU H H 184 9.603 7.768 1.835 1 1 2001 . 10 1 1 A 178 178 LEU HA H 184 4.276 4.230 0.046 1 1 2011 . 10 1 1 A 178 178 LEU C C 184 178.805 178.172 0.633 1 1 2012 . 10 1 1 A 178 178 LEU CA C 184 56.034 55.106 0.928 1 1 2013 . 10 1 1 A 178 178 LEU CB C 184 39.882 42.187 -2.305 1 1 2017 . 10 1 1 A 178 178 LEU N N 184 124.374 120.001 4.373 1 1 2018 . 10 1 1 A 179 179 LYS H H 185 10.002 8.813 1.189 1 1 2019 . 10 1 1 A 179 179 LYS HA H 185 3.682 4.062 -0.380 1 1 2028 . 10 1 1 A 179 179 LYS C C 185 177.660 176.420 1.240 1 1 2029 . 10 1 1 A 179 179 LYS CA C 185 57.721 58.564 -0.843 1 1 2030 . 10 1 1 A 179 179 LYS CB C 185 31.949 32.055 -0.106 1 1 2034 . 10 1 1 A 179 179 LYS N N 185 122.880 121.261 1.619 1 1 2035 . 10 1 1 A 180 180 SER H H 186 7.262 7.829 -0.567 1 1 2036 . 10 1 1 A 180 180 SER HA H 186 4.672 4.925 -0.253 1 1 2039 . 10 1 1 A 180 180 SER C C 186 173.086 174.270 -1.184 1 1 2040 . 10 1 1 A 180 180 SER CA C 186 54.576 55.580 -1.004 1 1 2041 . 10 1 1 A 180 180 SER CB C 186 62.715 65.345 -2.630 1 1 2042 . 10 1 1 A 180 180 SER N N 186 115.187 115.493 -0.306 1 1 2043 . 10 1 1 A 181 181 PRO HA H 187 3.956 4.601 -0.645 1 1 2050 . 10 1 1 A 181 181 PRO CA C 187 65.359 64.832 0.527 1 1 2051 . 10 1 1 A 181 181 PRO CB C 187 32.061 32.038 0.023 1 1 2054 . 10 1 1 A 182 182 GLU H H 188 8.076 9.100 -1.024 1 1 2055 . 10 1 1 A 182 182 GLU HA H 188 3.011 4.163 -1.152 1 1 2060 . 10 1 1 A 182 182 GLU C C 188 173.944 177.013 -3.069 1 1 2061 . 10 1 1 A 182 182 GLU CA C 188 56.597 57.697 -1.100 1 1 2062 . 10 1 1 A 182 182 GLU CB C 188 29.581 28.330 1.251 1 1 2064 . 10 1 1 A 182 182 GLU N N 188 113.034 116.402 -3.368 1 1 2065 . 10 1 1 A 183 183 LEU H H 189 7.126 7.430 -0.304 1 1 2066 . 10 1 1 A 183 183 LEU HA H 189 3.970 4.303 -0.333 1 1 2076 . 10 1 1 A 183 183 LEU C C 189 175.597 176.786 -1.189 1 1 2077 . 10 1 1 A 183 183 LEU CA C 189 53.849 54.347 -0.498 1 1 2078 . 10 1 1 A 183 183 LEU CB C 189 41.152 42.193 -1.041 1 1 2082 . 10 1 1 A 183 183 LEU N N 189 112.896 118.659 -5.763 1 1 2083 . 10 1 1 A 184 184 ASN H H 190 6.952 8.092 -1.140 1 1 2084 . 10 1 1 A 184 184 ASN HA H 190 4.596 4.663 -0.067 1 1 2089 . 10 1 1 A 184 184 ASN C C 190 175.694 175.053 0.641 1 1 2090 . 10 1 1 A 184 184 ASN CA C 190 53.200 53.729 -0.529 1 1 2091 . 10 1 1 A 184 184 ASN CB C 190 36.466 39.012 -2.546 1 1 2092 . 10 1 1 A 184 184 ASN N N 190 117.865 117.441 0.424 1 1 2094 . 10 1 1 A 185 185 VAL H H 191 7.178 8.722 -1.544 1 1 2095 . 10 1 1 A 185 185 VAL HA H 191 4.480 4.803 -0.323 1 1 2103 . 10 1 1 A 185 185 VAL C C 191 174.874 174.885 -0.011 1 1 2104 . 10 1 1 A 185 185 VAL CA C 191 59.753 58.756 0.997 1 1 2105 . 10 1 1 A 185 185 VAL CB C 191 33.035 35.188 -2.153 1 1 2108 . 10 1 1 A 185 185 VAL N N 191 113.276 117.511 -4.235 1 1 2109 . 10 1 1 A 186 186 ASP H H 192 8.827 8.547 0.280 1 1 2110 . 10 1 1 A 186 186 ASP HA H 192 4.779 4.739 0.040 1 1 2113 . 10 1 1 A 186 186 ASP C C 192 174.919 175.264 -0.345 1 1 2114 . 10 1 1 A 186 186 ASP CA C 192 54.058 54.730 -0.672 1 1 2115 . 10 1 1 A 186 186 ASP CB C 192 41.635 41.500 0.135 1 1 2116 . 10 1 1 A 186 186 ASP N N 192 118.111 121.729 -3.618 1 1 2117 . 10 1 1 A 187 187 LEU H H 193 8.375 8.726 -0.351 1 1 2118 . 10 1 1 A 187 187 LEU HA H 193 4.146 5.064 -0.918 1 1 2127 . 10 1 1 A 187 187 LEU CA C 193 52.331 53.831 -1.500 1 1 2128 . 10 1 1 A 187 187 LEU CB C 193 38.187 45.992 -7.805 1 1 2131 . 10 1 1 A 187 187 LEU N N 193 123.130 123.974 -0.844 1 1 2132 . 10 1 1 A 188 188 ALA H H 194 8.225 8.664 -0.439 1 1 2133 . 10 1 1 A 188 188 ALA HA H 194 4.098 4.553 -0.455 1 1 2137 . 10 1 1 A 188 188 ALA C C 194 176.239 177.016 -0.777 1 1 2138 . 10 1 1 A 188 188 ALA CA C 194 52.498 51.849 0.649 1 1 2139 . 10 1 1 A 188 188 ALA CB C 194 20.030 19.290 0.740 1 1 2140 . 10 1 1 A 188 188 ALA N N 194 126.289 129.273 -2.984 1 1 2141 . 10 1 1 A 189 189 ALA H H 195 8.275 8.303 -0.028 1 1 2142 . 10 1 1 A 189 189 ALA HA H 195 4.862 4.433 0.429 1 1 2146 . 10 1 1 A 189 189 ALA C C 195 178.131 177.588 0.543 1 1 2147 . 10 1 1 A 189 189 ALA CA C 195 51.822 53.124 -1.302 1 1 2148 . 10 1 1 A 189 189 ALA CB C 195 17.367 19.047 -1.680 1 1 2149 . 10 1 1 A 189 189 ALA N N 195 122.010 125.842 -3.832 1 1 2150 . 10 1 1 A 190 190 ALA H H 196 8.823 9.081 -0.258 1 1 2151 . 10 1 1 A 190 190 ALA HA H 196 4.634 4.896 -0.262 1 1 2155 . 10 1 1 A 190 190 ALA C C 196 175.141 175.943 -0.802 1 1 2156 . 10 1 1 A 190 190 ALA CA C 196 50.420 51.503 -1.083 1 1 2157 . 10 1 1 A 190 190 ALA CB C 196 23.461 22.958 0.503 1 1 2158 . 10 1 1 A 190 190 ALA N N 196 126.018 124.724 1.294 1 1 2159 . 10 1 1 A 191 191 ASP H H 197 8.365 8.695 -0.330 1 1 2160 . 10 1 1 A 191 191 ASP HA H 197 5.160 4.906 0.254 1 1 2163 . 10 1 1 A 191 191 ASP C C 197 176.028 176.031 -0.003 1 1 2164 . 10 1 1 A 191 191 ASP CA C 197 54.034 53.012 1.022 1 1 2165 . 10 1 1 A 191 191 ASP CB C 197 41.691 41.861 -0.170 1 1 2166 . 10 1 1 A 191 191 ASP N N 197 118.646 121.818 -3.172 1 1 2167 . 10 1 1 A 192 192 ILE H H 198 7.915 8.344 -0.429 1 1 2168 . 10 1 1 A 192 192 ILE HA H 198 4.315 4.300 0.015 1 1 2178 . 10 1 1 A 192 192 ILE C C 198 174.684 176.054 -1.370 1 1 2179 . 10 1 1 A 192 192 ILE CA C 198 60.951 60.779 0.172 1 1 2180 . 10 1 1 A 192 192 ILE CB C 198 41.989 38.856 3.133 1 1 2184 . 10 1 1 A 192 192 ILE N N 198 119.664 117.837 1.827 1 1 2185 . 10 1 1 A 193 193 LYS H H 199 9.175 8.933 0.242 1 1 2186 . 10 1 1 A 193 193 LYS HA H 199 4.530 4.922 -0.392 1 1 2195 . 10 1 1 A 193 193 LYS C C 199 172.639 175.159 -2.520 1 1 2196 . 10 1 1 A 193 193 LYS CA C 199 53.361 52.977 0.384 1 1 2197 . 10 1 1 A 193 193 LYS CB C 199 34.758 35.134 -0.376 1 1 2201 . 10 1 1 A 193 193 LYS N N 199 127.122 121.579 5.543 1 1 2202 . 10 1 1 A 195 195 ASP H H 201 8.390 8.830 -0.440 1 1 2203 . 10 1 1 A 195 195 ASP HA H 201 4.550 4.918 -0.368 1 1 2206 . 10 1 1 A 195 195 ASP C C 201 179.300 175.546 3.754 1 1 2207 . 10 1 1 A 195 195 ASP CA C 201 51.354 54.938 -3.584 1 1 2208 . 10 1 1 A 195 195 ASP CB C 201 40.324 43.539 -3.215 1 1 2209 . 10 1 1 A 195 195 ASP N N 201 123.239 119.292 3.947 1 1 2210 . 10 1 1 A 196 196 GLY HA2 H 202 3.718 4.127 -0.409 1 1 2211 . 10 1 1 A 196 196 GLY HA3 H 202 3.437 4.131 -0.694 1 1 2212 . 10 1 1 A 196 196 GLY CA C 202 46.527 44.087 2.440 1 1 2213 . 10 1 1 A 197 197 LYS H H 203 7.740 8.799 -1.059 1 1 2214 . 10 1 1 A 197 197 LYS HA H 203 4.118 4.077 0.041 1 1 2221 . 10 1 1 A 197 197 LYS C C 203 174.941 176.676 -1.735 1 1 2222 . 10 1 1 A 197 197 LYS CA C 203 55.054 58.413 -3.359 1 1 2223 . 10 1 1 A 197 197 LYS CB C 203 31.192 31.873 -0.681 1 1 2226 . 10 1 1 A 197 197 LYS N N 203 120.305 120.306 -0.001 1 1 2227 . 10 1 1 A 198 198 ARG H H 204 8.059 7.728 0.331 1 1 2228 . 10 1 1 A 198 198 ARG HA H 204 3.441 4.592 -1.151 1 1 2235 . 10 1 1 A 198 198 ARG C C 204 175.152 175.254 -0.102 1 1 2236 . 10 1 1 A 198 198 ARG CA C 204 56.911 55.760 1.151 1 1 2237 . 10 1 1 A 198 198 ARG CB C 204 26.584 31.810 -5.226 1 1 2240 . 10 1 1 A 198 198 ARG N N 204 111.796 114.365 -2.569 1 1 2241 . 10 1 1 A 199 199 HIS H H 205 8.531 7.579 0.952 1 1 2242 . 10 1 1 A 199 199 HIS HA H 205 4.812 5.323 -0.511 1 1 2247 . 10 1 1 A 199 199 HIS C C 205 174.866 174.291 0.575 1 1 2248 . 10 1 1 A 199 199 HIS CA C 205 53.700 54.848 -1.148 1 1 2249 . 10 1 1 A 199 199 HIS CB C 205 27.838 33.665 -5.827 1 1 2250 . 10 1 1 A 199 199 HIS N N 205 120.255 118.001 2.254 1 1 2251 . 10 1 1 A 200 200 ALA H H 206 8.492 8.787 -0.295 1 1 2252 . 10 1 1 A 200 200 ALA HA H 206 4.615 5.327 -0.712 1 1 2256 . 10 1 1 A 200 200 ALA C C 206 175.840 175.272 0.568 1 1 2257 . 10 1 1 A 200 200 ALA CA C 206 52.247 50.609 1.638 1 1 2258 . 10 1 1 A 200 200 ALA CB C 206 19.838 24.223 -4.385 1 1 2259 . 10 1 1 A 200 200 ALA N N 206 123.237 122.064 1.173 1 1 2260 . 10 1 1 A 201 201 VAL H H 207 9.174 8.734 0.440 1 1 2261 . 10 1 1 A 201 201 VAL HA H 207 4.976 4.837 0.139 1 1 2269 . 10 1 1 A 201 201 VAL C C 207 173.390 174.651 -1.261 1 1 2270 . 10 1 1 A 201 201 VAL CA C 207 60.775 60.637 0.138 1 1 2271 . 10 1 1 A 201 201 VAL CB C 207 35.488 36.324 -0.836 1 1 2274 . 10 1 1 A 201 201 VAL N N 207 123.250 118.713 4.537 1 1 2275 . 10 1 1 A 202 202 ILE H H 208 8.887 8.793 0.094 1 1 2276 . 10 1 1 A 202 202 ILE HA H 208 4.312 4.861 -0.549 1 1 2286 . 10 1 1 A 202 202 ILE C C 208 174.670 175.305 -0.635 1 1 2287 . 10 1 1 A 202 202 ILE CA C 208 60.815 59.771 1.044 1 1 2288 . 10 1 1 A 202 202 ILE CB C 208 41.576 40.465 1.111 1 1 2292 . 10 1 1 A 202 202 ILE N N 208 122.699 126.646 -3.947 1 1 2293 . 10 1 1 A 203 203 SER H H 209 8.416 8.866 -0.450 1 1 2294 . 10 1 1 A 203 203 SER HA H 209 4.913 4.977 -0.064 1 1 2297 . 10 1 1 A 203 203 SER C C 209 172.984 173.367 -0.383 1 1 2298 . 10 1 1 A 203 203 SER CA C 209 55.676 57.469 -1.793 1 1 2299 . 10 1 1 A 203 203 SER CB C 209 64.355 64.896 -0.541 1 1 2300 . 10 1 1 A 203 203 SER N N 209 122.067 124.735 -2.668 1 1 2301 . 10 1 1 A 204 204 GLY H H 210 7.292 8.131 -0.839 1 1 2302 . 10 1 1 A 204 204 GLY HA2 H 210 4.432 3.965 0.467 1 1 2303 . 10 1 1 A 204 204 GLY HA3 H 210 3.352 4.183 -0.831 1 1 2304 . 10 1 1 A 204 204 GLY C C 210 172.482 172.612 -0.130 1 1 2305 . 10 1 1 A 204 204 GLY CA C 210 45.167 44.099 1.068 1 1 2306 . 10 1 1 A 204 204 GLY N N 210 110.488 113.078 -2.590 1 1 2307 . 10 1 1 A 205 205 SER H H 211 8.652 8.792 -0.140 1 1 2308 . 10 1 1 A 205 205 SER HA H 211 5.027 5.374 -0.347 1 1 2311 . 10 1 1 A 205 205 SER C C 211 172.852 173.949 -1.097 1 1 2312 . 10 1 1 A 205 205 SER CA C 211 58.806 56.269 2.537 1 1 2313 . 10 1 1 A 205 205 SER CB C 211 64.384 66.458 -2.074 1 1 2314 . 10 1 1 A 205 205 SER N N 211 116.497 113.813 2.684 1 1 2315 . 10 1 1 A 206 206 VAL H H 212 7.400 8.899 -1.499 1 1 2316 . 10 1 1 A 206 206 VAL HA H 212 5.032 4.680 0.352 1 1 2324 . 10 1 1 A 206 206 VAL C C 212 174.500 175.639 -1.139 1 1 2325 . 10 1 1 A 206 206 VAL CA C 212 58.764 61.270 -2.506 1 1 2326 . 10 1 1 A 206 206 VAL CB C 212 30.512 34.677 -4.165 1 1 2329 . 10 1 1 A 206 206 VAL N N 212 117.101 121.127 -4.026 1 1 2330 . 10 1 1 A 207 207 LEU H H 213 8.961 9.009 -0.048 1 1 2331 . 10 1 1 A 207 207 LEU HA H 213 5.312 4.553 0.759 1 1 2341 . 10 1 1 A 207 207 LEU C C 213 175.520 176.172 -0.652 1 1 2342 . 10 1 1 A 207 207 LEU CA C 213 52.630 54.870 -2.240 1 1 2343 . 10 1 1 A 207 207 LEU CB C 213 45.567 42.741 2.826 1 1 2347 . 10 1 1 A 207 207 LEU N N 213 124.185 129.293 -5.108 1 1 2348 . 10 1 1 A 208 208 TYR H H 214 8.836 9.073 -0.237 1 1 2349 . 10 1 1 A 208 208 TYR HA H 214 4.766 4.850 -0.084 1 1 2356 . 10 1 1 A 208 208 TYR C C 214 175.964 175.083 0.881 1 1 2357 . 10 1 1 A 208 208 TYR CA C 214 56.943 58.021 -1.078 1 1 2358 . 10 1 1 A 208 208 TYR CB C 214 41.736 41.275 0.461 1 1 2359 . 10 1 1 A 208 208 TYR N N 214 120.202 120.638 -0.436 1 1 2360 . 10 1 1 A 209 209 ASN H H 215 9.292 9.389 -0.097 1 1 2361 . 10 1 1 A 209 209 ASN HA H 215 4.001 4.391 -0.390 1 1 2366 . 10 1 1 A 209 209 ASN C C 215 174.336 174.682 -0.346 1 1 2367 . 10 1 1 A 209 209 ASN CA C 215 53.923 54.624 -0.701 1 1 2368 . 10 1 1 A 209 209 ASN CB C 215 36.468 36.909 -0.441 1 1 2369 . 10 1 1 A 209 209 ASN N N 215 129.805 125.788 4.017 1 1 2371 . 10 1 1 A 210 210 GLN H H 216 8.614 8.454 0.160 1 1 2372 . 10 1 1 A 210 210 GLN HA H 216 3.453 3.917 -0.464 1 1 2379 . 10 1 1 A 210 210 GLN C C 216 173.521 175.372 -1.851 1 1 2380 . 10 1 1 A 210 210 GLN CA C 216 57.881 57.270 0.611 1 1 2381 . 10 1 1 A 210 210 GLN CB C 216 26.089 26.293 -0.204 1 1 2383 . 10 1 1 A 210 210 GLN N N 216 106.396 109.368 -2.972 1 1 2385 . 10 1 1 A 211 211 ALA H H 217 7.657 7.456 0.201 1 1 2386 . 10 1 1 A 211 211 ALA HA H 217 4.608 4.507 0.101 1 1 2390 . 10 1 1 A 211 211 ALA C C 217 176.432 176.208 0.224 1 1 2391 . 10 1 1 A 211 211 ALA CA C 217 50.786 51.166 -0.380 1 1 2392 . 10 1 1 A 211 211 ALA CB C 217 20.499 19.021 1.478 1 1 2393 . 10 1 1 A 211 211 ALA N N 217 123.338 119.335 4.003 1 1 2394 . 10 1 1 A 212 212 GLU H H 218 8.712 7.621 1.091 1 1 2395 . 10 1 1 A 212 212 GLU HA H 218 4.525 4.692 -0.167 1 1 2400 . 10 1 1 A 212 212 GLU C C 218 177.924 174.070 3.854 1 1 2401 . 10 1 1 A 212 212 GLU CA C 218 57.550 55.731 1.819 1 1 2402 . 10 1 1 A 212 212 GLU CB C 218 28.811 33.108 -4.297 1 1 2404 . 10 1 1 A 212 212 GLU N N 218 122.631 119.142 3.489 1 1 2405 . 10 1 1 A 213 213 LYS H H 219 8.835 8.622 0.213 1 1 2406 . 10 1 1 A 213 213 LYS HA H 219 4.612 4.952 -0.340 1 1 2415 . 10 1 1 A 213 213 LYS C C 219 173.786 175.033 -1.247 1 1 2416 . 10 1 1 A 213 213 LYS CA C 219 53.115 55.533 -2.418 1 1 2417 . 10 1 1 A 213 213 LYS CB C 219 34.180 35.407 -1.227 1 1 2421 . 10 1 1 A 213 213 LYS N N 219 126.870 122.125 4.745 1 1 2422 . 10 1 1 A 214 214 GLY H H 220 7.929 9.210 -1.281 1 1 2423 . 10 1 1 A 214 214 GLY HA2 H 220 5.469 4.244 1.225 1 1 2424 . 10 1 1 A 214 214 GLY HA3 H 220 3.719 4.255 -0.536 1 1 2425 . 10 1 1 A 214 214 GLY C C 220 173.926 172.793 1.133 1 1 2426 . 10 1 1 A 214 214 GLY CA C 220 44.536 44.764 -0.228 1 1 2427 . 10 1 1 A 214 214 GLY N N 220 107.019 113.623 -6.604 1 1 2428 . 10 1 1 A 215 215 SER H H 221 8.678 8.923 -0.245 1 1 2429 . 10 1 1 A 215 215 SER HA H 221 5.460 5.502 -0.042 1 1 2432 . 10 1 1 A 215 215 SER C C 221 171.043 173.291 -2.248 1 1 2433 . 10 1 1 A 215 215 SER CA C 221 56.810 56.935 -0.125 1 1 2434 . 10 1 1 A 215 215 SER CB C 221 66.671 66.474 0.197 1 1 2435 . 10 1 1 A 215 215 SER N N 221 117.334 114.151 3.183 1 1 2436 . 10 1 1 A 216 216 TYR H H 222 8.958 9.026 -0.068 1 1 2437 . 10 1 1 A 216 216 TYR HA H 222 5.389 5.615 -0.226 1 1 2445 . 10 1 1 A 216 216 TYR C C 222 172.789 172.660 0.129 1 1 2446 . 10 1 1 A 216 216 TYR CA C 222 55.819 55.664 0.155 1 1 2447 . 10 1 1 A 216 216 TYR CB C 222 41.681 42.508 -0.827 1 1 2448 . 10 1 1 A 216 216 TYR N N 222 117.645 118.898 -1.253 1 1 2449 . 10 1 1 A 217 217 SER H H 223 8.837 9.067 -0.230 1 1 2450 . 10 1 1 A 217 217 SER HA H 223 5.165 5.228 -0.063 1 1 2453 . 10 1 1 A 217 217 SER C C 223 173.125 172.517 0.608 1 1 2454 . 10 1 1 A 217 217 SER CA C 223 56.600 56.583 0.017 1 1 2455 . 10 1 1 A 217 217 SER CB C 223 64.500 65.060 -0.560 1 1 2456 . 10 1 1 A 217 217 SER N N 223 115.593 115.836 -0.243 1 1 2457 . 10 1 1 A 218 218 LEU H H 224 9.299 8.434 0.865 1 1 2458 . 10 1 1 A 218 218 LEU HA H 224 4.748 4.937 -0.189 1 1 2468 . 10 1 1 A 218 218 LEU C C 224 175.567 174.618 0.949 1 1 2469 . 10 1 1 A 218 218 LEU CA C 224 53.138 53.920 -0.782 1 1 2470 . 10 1 1 A 218 218 LEU CB C 224 46.255 44.844 1.411 1 1 2474 . 10 1 1 A 218 218 LEU N N 224 123.523 121.921 1.602 1 1 2475 . 10 1 1 A 219 219 GLY H H 225 9.041 8.241 0.800 1 1 2476 . 10 1 1 A 219 219 GLY HA2 H 225 4.620 4.103 0.517 1 1 2477 . 10 1 1 A 219 219 GLY HA3 H 225 3.413 4.270 -0.857 1 1 2478 . 10 1 1 A 219 219 GLY C C 225 171.514 171.792 -0.278 1 1 2479 . 10 1 1 A 219 219 GLY CA C 225 43.777 44.115 -0.338 1 1 2480 . 10 1 1 A 219 219 GLY N N 225 108.999 106.128 2.871 1 1 2481 . 10 1 1 A 220 220 ILE H H 226 6.853 8.495 -1.642 1 1 2482 . 10 1 1 A 220 220 ILE HA H 226 4.615 4.542 0.073 1 1 2492 . 10 1 1 A 220 220 ILE C C 226 174.750 175.089 -0.339 1 1 2493 . 10 1 1 A 220 220 ILE CA C 226 60.421 60.870 -0.449 1 1 2494 . 10 1 1 A 220 220 ILE CB C 226 38.213 38.173 0.040 1 1 2498 . 10 1 1 A 220 220 ILE N N 226 120.223 121.376 -1.153 1 1 2499 . 10 1 1 A 221 221 PHE H H 227 9.392 8.778 0.614 1 1 2500 . 10 1 1 A 221 221 PHE HA H 227 4.770 5.310 -0.540 1 1 2507 . 10 1 1 A 221 221 PHE C C 227 175.093 175.375 -0.282 1 1 2508 . 10 1 1 A 221 221 PHE CA C 227 58.053 56.515 1.538 1 1 2509 . 10 1 1 A 221 221 PHE CB C 227 42.505 42.424 0.081 1 1 2510 . 10 1 1 A 221 221 PHE N N 227 128.229 125.755 2.474 1 1 2511 . 10 1 1 A 222 222 GLY H H 228 8.675 9.065 -0.390 1 1 2512 . 10 1 1 A 222 222 GLY HA2 H 228 3.174 4.086 -0.912 1 1 2513 . 10 1 1 A 222 222 GLY HA3 H 228 4.311 4.113 0.198 1 1 2514 . 10 1 1 A 222 222 GLY CA C 228 42.438 44.739 -2.301 1 1 2515 . 10 1 1 A 222 222 GLY N N 228 104.634 110.138 -5.504 1 1 2516 . 10 1 1 A 223 223 GLY CA C 229 46.870 46.744 0.126 1 1 2517 . 10 1 1 A 224 224 LYS H H 230 8.366 7.648 0.718 1 1 2518 . 10 1 1 A 224 224 LYS HA H 230 4.305 4.696 -0.391 1 1 2523 . 10 1 1 A 224 224 LYS C C 230 174.717 175.830 -1.113 1 1 2524 . 10 1 1 A 224 224 LYS CA C 230 54.119 54.728 -0.609 1 1 2525 . 10 1 1 A 224 224 LYS CB C 230 30.821 32.213 -1.392 1 1 2527 . 10 1 1 A 224 224 LYS N N 230 118.720 116.104 2.616 1 1 2528 . 10 1 1 A 225 225 ALA H H 231 7.633 7.871 -0.238 1 1 2529 . 10 1 1 A 225 225 ALA HA H 231 3.810 4.201 -0.391 1 1 2533 . 10 1 1 A 225 225 ALA C C 231 176.702 177.512 -0.810 1 1 2534 . 10 1 1 A 225 225 ALA CA C 231 51.868 53.149 -1.281 1 1 2535 . 10 1 1 A 225 225 ALA CB C 231 16.117 17.624 -1.507 1 1 2536 . 10 1 1 A 225 225 ALA N N 231 118.077 119.243 -1.166 1 1 2537 . 10 1 1 A 226 226 GLN H H 232 9.387 7.734 1.653 1 1 2538 . 10 1 1 A 226 226 GLN HA H 232 3.877 4.110 -0.233 1 1 2543 . 10 1 1 A 226 226 GLN C C 232 175.992 175.635 0.357 1 1 2544 . 10 1 1 A 226 226 GLN CA C 232 60.989 58.175 2.814 1 1 2545 . 10 1 1 A 226 226 GLN CB C 232 28.695 29.536 -0.841 1 1 2547 . 10 1 1 A 226 226 GLN N N 232 117.991 117.112 0.879 1 1 2548 . 10 1 1 A 227 227 GLU H H 233 8.825 7.503 1.322 1 1 2549 . 10 1 1 A 227 227 GLU HA H 233 5.411 4.792 0.619 1 1 2554 . 10 1 1 A 227 227 GLU C C 233 174.939 173.809 1.130 1 1 2555 . 10 1 1 A 227 227 GLU CA C 233 54.289 55.539 -1.250 1 1 2556 . 10 1 1 A 227 227 GLU CB C 233 33.797 32.232 1.565 1 1 2558 . 10 1 1 A 227 227 GLU N N 233 116.638 114.817 1.821 1 1 2559 . 10 1 1 A 228 228 VAL H H 234 8.343 8.797 -0.454 1 1 2560 . 10 1 1 A 228 228 VAL HA H 234 5.544 5.091 0.453 1 1 2568 . 10 1 1 A 228 228 VAL C C 234 174.839 174.235 0.604 1 1 2569 . 10 1 1 A 228 228 VAL CA C 234 57.867 60.008 -2.141 1 1 2570 . 10 1 1 A 228 228 VAL CB C 234 35.379 35.428 -0.049 1 1 2573 . 10 1 1 A 228 228 VAL N N 234 109.304 117.006 -7.702 1 1 2574 . 10 1 1 A 229 229 ALA H H 235 8.475 8.955 -0.480 1 1 2575 . 10 1 1 A 229 229 ALA HA H 235 4.937 5.089 -0.152 1 1 2579 . 10 1 1 A 229 229 ALA C C 235 176.417 175.741 0.676 1 1 2580 . 10 1 1 A 229 229 ALA CA C 235 51.303 51.022 0.281 1 1 2581 . 10 1 1 A 229 229 ALA CB C 235 20.301 23.451 -3.150 1 1 2582 . 10 1 1 A 229 229 ALA N N 235 120.653 124.775 -4.122 1 1 2583 . 10 1 1 A 230 230 GLY H H 236 9.361 8.253 1.108 1 1 2584 . 10 1 1 A 230 230 GLY HA2 H 236 5.075 4.204 0.871 1 1 2585 . 10 1 1 A 230 230 GLY HA3 H 236 4.017 4.215 -0.198 1 1 2586 . 10 1 1 A 230 230 GLY C C 236 170.130 171.807 -1.677 1 1 2587 . 10 1 1 A 230 230 GLY CA C 236 46.221 45.951 0.270 1 1 2588 . 10 1 1 A 230 230 GLY N N 236 111.104 105.705 5.399 1 1 2589 . 10 1 1 A 231 231 SER H H 237 8.889 8.831 0.058 1 1 2590 . 10 1 1 A 231 231 SER HA H 237 5.276 5.352 -0.076 1 1 2593 . 10 1 1 A 231 231 SER C C 237 171.360 173.122 -1.762 1 1 2594 . 10 1 1 A 231 231 SER CA C 237 56.498 57.238 -0.740 1 1 2595 . 10 1 1 A 231 231 SER CB C 237 66.398 66.539 -0.141 1 1 2596 . 10 1 1 A 231 231 SER N N 237 115.308 115.352 -0.044 1 1 2597 . 10 1 1 A 232 232 ALA H H 238 9.083 8.692 0.391 1 1 2598 . 10 1 1 A 232 232 ALA HA H 238 5.148 5.359 -0.211 1 1 2602 . 10 1 1 A 232 232 ALA C C 238 174.537 174.831 -0.294 1 1 2603 . 10 1 1 A 232 232 ALA CA C 238 49.904 50.690 -0.786 1 1 2604 . 10 1 1 A 232 232 ALA CB C 238 21.729 23.112 -1.383 1 1 2605 . 10 1 1 A 232 232 ALA N N 238 119.911 123.358 -3.447 1 1 2606 . 10 1 1 A 233 233 GLU H H 239 9.015 9.195 -0.180 1 1 2607 . 10 1 1 A 233 233 GLU HA H 239 4.631 4.820 -0.189 1 1 2612 . 10 1 1 A 233 233 GLU C C 239 174.122 174.491 -0.369 1 1 2613 . 10 1 1 A 233 233 GLU CA C 239 54.786 54.575 0.211 1 1 2614 . 10 1 1 A 233 233 GLU CB C 239 31.355 33.182 -1.827 1 1 2616 . 10 1 1 A 233 233 GLU N N 239 122.744 121.811 0.933 1 1 2617 . 10 1 1 A 234 234 VAL H H 240 8.792 8.633 0.159 1 1 2618 . 10 1 1 A 234 234 VAL HA H 240 4.394 4.677 -0.283 1 1 2623 . 10 1 1 A 234 234 VAL C C 240 174.833 173.474 1.359 1 1 2624 . 10 1 1 A 234 234 VAL CA C 240 61.427 59.710 1.717 1 1 2625 . 10 1 1 A 234 234 VAL CB C 240 33.863 35.407 -1.544 1 1 2627 . 10 1 1 A 234 234 VAL N N 240 124.203 122.573 1.630 1 1 2628 . 10 1 1 A 235 235 LYS H H 241 8.841 8.162 0.679 1 1 2629 . 10 1 1 A 235 235 LYS HA H 241 3.981 4.568 -0.587 1 1 2638 . 10 1 1 A 235 235 LYS C C 241 174.548 176.002 -1.454 1 1 2639 . 10 1 1 A 235 235 LYS CA C 241 55.955 54.965 0.990 1 1 2640 . 10 1 1 A 235 235 LYS CB C 241 32.100 31.166 0.934 1 1 2644 . 10 1 1 A 235 235 LYS N N 241 127.554 127.540 0.014 1 1 2645 . 10 1 1 A 236 236 THR H H 242 7.212 7.824 -0.612 1 1 2646 . 10 1 1 A 236 236 THR HA H 242 4.355 4.429 -0.074 1 1 2651 . 10 1 1 A 236 236 THR C C 242 176.482 176.213 0.269 1 1 2652 . 10 1 1 A 236 236 THR CA C 242 61.054 60.972 0.082 1 1 2653 . 10 1 1 A 236 236 THR CB C 242 72.642 70.909 1.733 1 1 2655 . 10 1 1 A 236 236 THR N N 242 114.463 115.877 -1.414 1 1 2656 . 10 1 1 A 237 237 VAL H H 243 9.582 8.385 1.197 1 1 2657 . 10 1 1 A 237 237 VAL HA H 243 3.849 3.829 0.020 1 1 2665 . 10 1 1 A 237 237 VAL C C 243 176.201 176.657 -0.456 1 1 2666 . 10 1 1 A 237 237 VAL CA C 243 64.701 65.215 -0.514 1 1 2667 . 10 1 1 A 237 237 VAL CB C 243 31.028 31.353 -0.325 1 1 2669 . 10 1 1 A 237 237 VAL N N 243 120.670 118.560 2.110 1 1 2670 . 10 1 1 A 238 238 ASN H H 244 7.572 7.788 -0.216 1 1 2671 . 10 1 1 A 238 238 ASN HA H 244 4.882 4.739 0.143 1 1 2676 . 10 1 1 A 238 238 ASN C C 244 173.835 175.557 -1.722 1 1 2677 . 10 1 1 A 238 238 ASN CA C 244 52.022 53.163 -1.141 1 1 2678 . 10 1 1 A 238 238 ASN CB C 244 39.176 38.939 0.237 1 1 2679 . 10 1 1 A 238 238 ASN N N 244 115.638 118.883 -3.245 1 1 2681 . 10 1 1 A 239 239 GLY H H 245 7.362 9.495 -2.133 1 1 2682 . 10 1 1 A 239 239 GLY HA2 H 245 4.539 3.973 0.566 1 1 2683 . 10 1 1 A 239 239 GLY HA3 H 245 3.728 3.982 -0.254 1 1 2684 . 10 1 1 A 239 239 GLY C C 245 174.343 173.224 1.119 1 1 2685 . 10 1 1 A 239 239 GLY CA C 245 43.316 45.440 -2.124 1 1 2686 . 10 1 1 A 239 239 GLY N N 245 107.650 106.953 0.697 1 1 2687 . 10 1 1 A 240 240 ILE H H 246 8.672 7.483 1.189 1 1 2688 . 10 1 1 A 240 240 ILE HA H 246 4.351 4.907 -0.556 1 1 2698 . 10 1 1 A 240 240 ILE C C 246 176.899 173.305 3.594 1 1 2699 . 10 1 1 A 240 240 ILE CA C 246 61.120 59.016 2.104 1 1 2700 . 10 1 1 A 240 240 ILE CB C 246 36.906 41.958 -5.052 1 1 2704 . 10 1 1 A 240 240 ILE N N 246 122.673 122.185 0.488 1 1 2705 . 10 1 1 A 241 241 ARG H H 247 9.233 8.729 0.504 1 1 2706 . 10 1 1 A 241 241 ARG HA H 247 4.370 5.062 -0.692 1 1 2713 . 10 1 1 A 241 241 ARG C C 247 173.925 174.726 -0.801 1 1 2714 . 10 1 1 A 241 241 ARG CA C 247 53.461 54.148 -0.687 1 1 2715 . 10 1 1 A 241 241 ARG CB C 247 31.910 34.769 -2.859 1 1 2718 . 10 1 1 A 241 241 ARG N N 247 128.497 127.350 1.147 1 1 2719 . 10 1 1 A 242 242 HIS H H 248 8.519 8.143 0.376 1 1 2720 . 10 1 1 A 242 242 HIS HA H 248 5.323 5.366 -0.043 1 1 2725 . 10 1 1 A 242 242 HIS C C 248 174.635 174.551 0.084 1 1 2726 . 10 1 1 A 242 242 HIS CA C 248 55.759 53.998 1.761 1 1 2727 . 10 1 1 A 242 242 HIS CB C 248 32.921 33.548 -0.627 1 1 2728 . 10 1 1 A 242 242 HIS N N 248 121.131 118.965 2.166 1 1 2729 . 10 1 1 A 243 243 ILE H H 249 8.723 9.009 -0.286 1 1 2730 . 10 1 1 A 243 243 ILE HA H 249 4.522 4.675 -0.153 1 1 2740 . 10 1 1 A 243 243 ILE C C 249 176.188 175.101 1.087 1 1 2741 . 10 1 1 A 243 243 ILE CA C 249 58.524 59.536 -1.012 1 1 2742 . 10 1 1 A 243 243 ILE CB C 249 41.977 42.426 -0.449 1 1 2746 . 10 1 1 A 243 243 ILE N N 249 119.438 120.419 -0.981 1 1 2747 . 10 1 1 A 244 244 GLY H H 250 9.351 8.639 0.712 1 1 2748 . 10 1 1 A 244 244 GLY HA2 H 250 3.707 2.799 0.908 1 1 2749 . 10 1 1 A 244 244 GLY HA3 H 250 2.119 3.812 -1.693 1 1 2750 . 10 1 1 A 244 244 GLY C C 250 170.981 171.911 -0.930 1 1 2751 . 10 1 1 A 244 244 GLY CA C 250 44.178 43.690 0.488 1 1 2752 . 10 1 1 A 244 244 GLY N N 250 113.700 113.726 -0.026 1 1 2753 . 10 1 1 A 245 245 LEU H H 251 7.833 8.108 -0.275 1 1 2754 . 10 1 1 A 245 245 LEU HA H 251 4.717 4.977 -0.260 1 1 2764 . 10 1 1 A 245 245 LEU C C 251 174.501 175.874 -1.373 1 1 2765 . 10 1 1 A 245 245 LEU CA C 251 52.508 53.501 -0.993 1 1 2766 . 10 1 1 A 245 245 LEU CB C 251 46.764 43.790 2.974 1 1 2770 . 10 1 1 A 245 245 LEU N N 251 120.798 124.294 -3.496 1 1 2771 . 10 1 1 A 246 246 ALA H H 252 7.906 8.645 -0.739 1 1 2772 . 10 1 1 A 246 246 ALA HA H 252 4.589 4.641 -0.052 1 1 2776 . 10 1 1 A 246 246 ALA C C 252 173.363 175.692 -2.329 1 1 2777 . 10 1 1 A 246 246 ALA CA C 252 51.546 51.682 -0.136 1 1 2778 . 10 1 1 A 246 246 ALA CB C 252 21.524 19.031 2.493 1 1 2779 . 10 1 1 A 246 246 ALA N N 252 122.885 124.646 -1.761 1 1 2780 . 10 1 1 A 247 247 ALA H H 253 9.041 8.540 0.501 1 1 2781 . 10 1 1 A 247 247 ALA HA H 253 4.726 5.428 -0.702 1 1 2785 . 10 1 1 A 247 247 ALA C C 253 174.897 175.479 -0.582 1 1 2786 . 10 1 1 A 247 247 ALA CA C 253 51.723 50.506 1.217 1 1 2787 . 10 1 1 A 247 247 ALA CB C 253 22.967 23.208 -0.241 1 1 2788 . 10 1 1 A 247 247 ALA N N 253 122.967 125.304 -2.337 1 1 2789 . 10 1 1 A 248 248 LYS H H 254 8.171 8.980 -0.809 1 1 2790 . 10 1 1 A 248 248 LYS HA H 254 5.731 5.186 0.545 1 1 2797 . 10 1 1 A 248 248 LYS C C 254 175.094 174.698 0.396 1 1 2798 . 10 1 1 A 248 248 LYS CA C 254 53.866 54.632 -0.766 1 1 2799 . 10 1 1 A 248 248 LYS CB C 254 36.312 36.032 0.280 1 1 2802 . 10 1 1 A 248 248 LYS N N 254 115.734 122.155 -6.421 1 1 60 . 11 1 1 A 9 9 GLY H H 15 8.346 8.823 -0.477 1 1 61 . 11 1 1 A 9 9 GLY HA2 H 15 4.021 3.885 0.136 1 1 62 . 11 1 1 A 9 9 GLY HA3 H 15 3.772 3.888 -0.116 1 1 63 . 11 1 1 A 9 9 GLY C C 15 174.259 175.261 -1.002 1 1 64 . 11 1 1 A 9 9 GLY CA C 15 45.581 46.557 -0.976 1 1 65 . 11 1 1 A 9 9 GLY N N 15 107.368 111.008 -3.640 1 1 66 . 11 1 1 A 10 10 LEU H H 16 7.224 7.813 -0.589 1 1 67 . 11 1 1 A 10 10 LEU HA H 16 3.736 4.132 -0.396 1 1 77 . 11 1 1 A 10 10 LEU C C 16 178.202 179.153 -0.951 1 1 78 . 11 1 1 A 10 10 LEU CA C 16 57.915 57.288 0.627 1 1 79 . 11 1 1 A 10 10 LEU CB C 16 40.686 41.272 -0.586 1 1 83 . 11 1 1 A 10 10 LEU N N 16 117.616 122.604 -4.988 1 1 84 . 11 1 1 A 11 11 ALA H H 17 7.860 8.074 -0.214 1 1 85 . 11 1 1 A 11 11 ALA HA H 17 3.937 4.031 -0.094 1 1 89 . 11 1 1 A 11 11 ALA C C 17 181.090 178.662 2.428 1 1 90 . 11 1 1 A 11 11 ALA CA C 17 54.860 55.403 -0.543 1 1 91 . 11 1 1 A 11 11 ALA CB C 17 17.248 17.862 -0.614 1 1 92 . 11 1 1 A 11 11 ALA N N 17 117.757 122.147 -4.390 1 1 93 . 11 1 1 A 12 12 ASP H H 18 8.017 8.288 -0.271 1 1 94 . 11 1 1 A 12 12 ASP HA H 18 4.223 4.348 -0.125 1 1 97 . 11 1 1 A 12 12 ASP C C 18 177.941 178.043 -0.102 1 1 98 . 11 1 1 A 12 12 ASP CA C 18 56.341 57.254 -0.913 1 1 99 . 11 1 1 A 12 12 ASP CB C 18 39.312 41.580 -2.268 1 1 100 . 11 1 1 A 12 12 ASP N N 18 118.410 118.284 0.126 1 1 101 . 11 1 1 A 13 13 ALA H H 19 8.205 7.668 0.537 1 1 102 . 11 1 1 A 13 13 ALA HA H 19 3.952 4.177 -0.225 1 1 106 . 11 1 1 A 13 13 ALA C C 19 178.856 178.359 0.497 1 1 107 . 11 1 1 A 13 13 ALA CA C 19 55.039 54.148 0.891 1 1 108 . 11 1 1 A 13 13 ALA CB C 19 17.779 18.466 -0.687 1 1 109 . 11 1 1 A 13 13 ALA N N 19 121.480 121.243 0.237 1 1 110 . 11 1 1 A 14 14 LEU H H 20 7.217 7.474 -0.257 1 1 111 . 11 1 1 A 14 14 LEU HA H 20 4.258 4.252 0.006 1 1 121 . 11 1 1 A 14 14 LEU C C 20 177.544 178.660 -1.116 1 1 122 . 11 1 1 A 14 14 LEU CA C 20 55.511 56.584 -1.073 1 1 123 . 11 1 1 A 14 14 LEU CB C 20 42.176 43.067 -0.891 1 1 126 . 11 1 1 A 14 14 LEU N N 20 113.410 116.019 -2.609 1 1 127 . 11 1 1 A 15 15 THR H H 21 7.624 7.783 -0.159 1 1 128 . 11 1 1 A 15 15 THR HA H 21 4.394 4.336 0.058 1 1 133 . 11 1 1 A 15 15 THR C C 21 174.959 174.005 0.954 1 1 134 . 11 1 1 A 15 15 THR CA C 21 61.733 62.645 -0.912 1 1 135 . 11 1 1 A 15 15 THR CB C 21 71.514 69.274 2.240 1 1 137 . 11 1 1 A 15 15 THR N N 21 106.072 108.008 -1.936 1 1 138 . 11 1 1 A 16 16 ALA H H 22 8.932 8.009 0.923 1 1 139 . 11 1 1 A 16 16 ALA HA H 22 4.624 4.688 -0.064 1 1 143 . 11 1 1 A 16 16 ALA C C 22 175.978 175.716 0.262 1 1 144 . 11 1 1 A 16 16 ALA CA C 22 50.681 49.781 0.900 1 1 145 . 11 1 1 A 16 16 ALA CB C 22 18.728 21.679 -2.951 1 1 146 . 11 1 1 A 16 16 ALA N N 22 127.789 123.253 4.536 1 1 147 . 11 1 1 A 17 17 PRO HA H 23 4.430 4.709 -0.279 1 1 154 . 11 1 1 A 17 17 PRO CA C 23 61.497 62.626 -1.129 1 1 155 . 11 1 1 A 17 17 PRO CB C 23 31.775 33.560 -1.785 1 1 158 . 11 1 1 A 18 18 LEU H H 24 8.154 8.786 -0.632 1 1 159 . 11 1 1 A 18 18 LEU HA H 24 3.894 4.510 -0.616 1 1 169 . 11 1 1 A 18 18 LEU C C 24 176.447 175.439 1.008 1 1 170 . 11 1 1 A 18 18 LEU CA C 24 55.510 56.328 -0.818 1 1 171 . 11 1 1 A 18 18 LEU CB C 24 40.921 44.484 -3.563 1 1 175 . 11 1 1 A 18 18 LEU N N 24 121.010 121.533 -0.523 1 1 176 . 11 1 1 A 19 19 ASP H H 25 8.758 7.905 0.853 1 1 177 . 11 1 1 A 19 19 ASP HA H 25 4.626 4.997 -0.371 1 1 180 . 11 1 1 A 19 19 ASP C C 25 176.425 174.721 1.704 1 1 181 . 11 1 1 A 19 19 ASP CA C 25 52.688 53.545 -0.857 1 1 182 . 11 1 1 A 19 19 ASP CB C 25 42.819 43.971 -1.152 1 1 183 . 11 1 1 A 19 19 ASP N N 25 124.654 117.568 7.086 1 1 184 . 11 1 1 A 20 20 HIS HA H 26 4.272 4.849 -0.577 1 1 189 . 11 1 1 A 20 20 HIS CA C 26 58.100 55.735 2.365 1 1 190 . 11 1 1 A 20 20 HIS CB C 26 29.200 31.355 -2.155 1 1 191 . 11 1 1 A 21 21 LYS H H 27 8.348 7.973 0.375 1 1 192 . 11 1 1 A 21 21 LYS HA H 27 3.970 4.271 -0.301 1 1 201 . 11 1 1 A 21 21 LYS C C 27 177.393 176.331 1.062 1 1 202 . 11 1 1 A 21 21 LYS CA C 27 56.320 55.982 0.338 1 1 203 . 11 1 1 A 21 21 LYS CB C 27 30.950 34.304 -3.354 1 1 206 . 11 1 1 A 21 21 LYS N N 27 118.419 114.330 4.089 1 1 207 . 11 1 1 A 22 22 ASP H H 28 7.451 8.012 -0.561 1 1 208 . 11 1 1 A 22 22 ASP HA H 28 4.307 4.522 -0.215 1 1 211 . 11 1 1 A 22 22 ASP C C 28 176.212 175.621 0.591 1 1 212 . 11 1 1 A 22 22 ASP CA C 28 54.164 56.227 -2.063 1 1 213 . 11 1 1 A 22 22 ASP CB C 28 40.091 40.234 -0.143 1 1 214 . 11 1 1 A 22 22 ASP N N 28 120.045 119.933 0.112 1 1 215 . 11 1 1 A 23 23 LYS H H 29 8.416 8.519 -0.103 1 1 216 . 11 1 1 A 23 23 LYS HA H 29 3.962 4.428 -0.466 1 1 225 . 11 1 1 A 23 23 LYS C C 29 177.409 176.086 1.323 1 1 226 . 11 1 1 A 23 23 LYS CA C 29 56.254 55.228 1.026 1 1 227 . 11 1 1 A 23 23 LYS CB C 29 31.950 33.339 -1.389 1 1 231 . 11 1 1 A 23 23 LYS N N 29 121.925 124.709 -2.784 1 1 232 . 11 1 1 A 24 24 GLY H H 30 8.612 7.541 1.071 1 1 233 . 11 1 1 A 24 24 GLY HA2 H 30 3.655 4.181 -0.526 1 1 234 . 11 1 1 A 24 24 GLY HA3 H 30 3.519 4.220 -0.701 1 1 235 . 11 1 1 A 24 24 GLY CA C 30 44.788 45.996 -1.208 1 1 236 . 11 1 1 A 24 24 GLY N N 30 111.487 107.358 4.129 1 1 237 . 11 1 1 A 25 25 LEU H H 31 8.054 8.463 -0.409 1 1 238 . 11 1 1 A 25 25 LEU HA H 31 3.770 4.861 -1.091 1 1 248 . 11 1 1 A 25 25 LEU CA C 31 55.906 54.042 1.864 1 1 249 . 11 1 1 A 25 25 LEU CB C 31 44.428 44.681 -0.253 1 1 253 . 11 1 1 A 25 25 LEU N N 31 127.196 125.675 1.521 1 1 254 . 11 1 1 A 26 26 GLN H H 32 9.184 8.744 0.440 1 1 255 . 11 1 1 A 26 26 GLN HA H 32 3.437 4.707 -1.270 1 1 262 . 11 1 1 A 26 26 GLN C C 32 174.347 174.997 -0.650 1 1 263 . 11 1 1 A 26 26 GLN CA C 32 57.926 55.245 2.681 1 1 264 . 11 1 1 A 26 26 GLN CB C 32 27.721 30.005 -2.284 1 1 266 . 11 1 1 A 26 26 GLN N N 32 131.782 122.538 9.244 1 1 268 . 11 1 1 A 27 27 SER H H 33 7.240 7.724 -0.484 1 1 269 . 11 1 1 A 27 27 SER HA H 33 4.981 5.106 -0.125 1 1 272 . 11 1 1 A 27 27 SER C C 33 171.111 172.397 -1.286 1 1 273 . 11 1 1 A 27 27 SER CA C 33 56.782 57.293 -0.511 1 1 274 . 11 1 1 A 27 27 SER CB C 33 64.611 66.033 -1.422 1 1 275 . 11 1 1 A 27 27 SER N N 33 108.936 112.551 -3.615 1 1 276 . 11 1 1 A 28 28 LEU H H 34 8.010 8.547 -0.537 1 1 277 . 11 1 1 A 28 28 LEU HA H 34 4.372 4.861 -0.489 1 1 287 . 11 1 1 A 28 28 LEU C C 34 174.697 176.035 -1.338 1 1 288 . 11 1 1 A 28 28 LEU CA C 34 53.332 53.878 -0.546 1 1 289 . 11 1 1 A 28 28 LEU CB C 34 45.636 43.365 2.271 1 1 293 . 11 1 1 A 28 28 LEU N N 34 121.826 125.442 -3.616 1 1 294 . 11 1 1 A 29 29 THR H H 35 8.810 8.820 -0.010 1 1 295 . 11 1 1 A 29 29 THR HA H 35 4.046 4.451 -0.405 1 1 300 . 11 1 1 A 29 29 THR C C 35 172.792 175.019 -2.227 1 1 301 . 11 1 1 A 29 29 THR CA C 35 62.565 62.241 0.324 1 1 302 . 11 1 1 A 29 29 THR CB C 35 68.233 69.488 -1.255 1 1 304 . 11 1 1 A 29 29 THR N N 35 123.892 119.777 4.115 1 1 305 . 11 1 1 A 30 30 LEU H H 36 8.662 8.378 0.284 1 1 306 . 11 1 1 A 30 30 LEU HA H 36 4.150 4.703 -0.553 1 1 316 . 11 1 1 A 30 30 LEU C C 36 174.707 176.977 -2.270 1 1 317 . 11 1 1 A 30 30 LEU CA C 36 53.789 54.359 -0.570 1 1 318 . 11 1 1 A 30 30 LEU CB C 36 40.562 41.773 -1.211 1 1 322 . 11 1 1 A 30 30 LEU N N 36 128.365 124.933 3.432 1 1 323 . 11 1 1 A 31 31 ASP H H 37 8.500 8.092 0.408 1 1 324 . 11 1 1 A 31 31 ASP HA H 37 4.837 4.356 0.481 1 1 327 . 11 1 1 A 31 31 ASP CA C 37 54.657 57.093 -2.436 1 1 328 . 11 1 1 A 31 31 ASP CB C 37 43.089 40.879 2.210 1 1 329 . 11 1 1 A 31 31 ASP N N 37 123.194 120.363 2.831 1 1 330 . 11 1 1 A 32 32 GLN H H 38 10.453 7.875 2.578 1 1 331 . 11 1 1 A 32 32 GLN HA H 38 3.808 4.616 -0.808 1 1 338 . 11 1 1 A 32 32 GLN C C 38 178.535 176.761 1.774 1 1 339 . 11 1 1 A 32 32 GLN CA C 38 56.284 54.958 1.326 1 1 340 . 11 1 1 A 32 32 GLN CB C 38 28.175 29.236 -1.061 1 1 342 . 11 1 1 A 32 32 GLN N N 38 120.692 114.713 5.979 1 1 344 . 11 1 1 A 33 33 SER H H 39 8.523 8.372 0.151 1 1 345 . 11 1 1 A 33 33 SER HA H 39 4.081 4.459 -0.378 1 1 348 . 11 1 1 A 33 33 SER C C 39 171.792 174.396 -2.604 1 1 349 . 11 1 1 A 33 33 SER CA C 39 61.436 60.371 1.065 1 1 350 . 11 1 1 A 33 33 SER CB C 39 63.008 63.871 -0.863 1 1 351 . 11 1 1 A 33 33 SER N N 39 111.712 115.194 -3.482 1 1 352 . 11 1 1 A 34 34 VAL H H 40 6.691 7.613 -0.922 1 1 353 . 11 1 1 A 34 34 VAL HA H 40 3.890 4.583 -0.693 1 1 361 . 11 1 1 A 34 34 VAL C C 40 172.251 173.846 -1.595 1 1 362 . 11 1 1 A 34 34 VAL CA C 40 60.415 60.076 0.339 1 1 363 . 11 1 1 A 34 34 VAL CB C 40 32.306 35.409 -3.103 1 1 366 . 11 1 1 A 34 34 VAL N N 40 115.971 118.210 -2.239 1 1 367 . 11 1 1 A 35 35 ARG H H 41 8.184 8.874 -0.690 1 1 368 . 11 1 1 A 35 35 ARG HA H 41 4.176 4.288 -0.112 1 1 375 . 11 1 1 A 35 35 ARG C C 41 176.886 177.591 -0.705 1 1 376 . 11 1 1 A 35 35 ARG CA C 41 55.599 56.852 -1.253 1 1 377 . 11 1 1 A 35 35 ARG CB C 41 30.569 30.818 -0.249 1 1 380 . 11 1 1 A 35 35 ARG N N 41 125.397 125.087 0.310 1 1 381 . 11 1 1 A 36 36 LYS H H 42 8.493 8.893 -0.400 1 1 382 . 11 1 1 A 36 36 LYS HA H 42 3.778 4.210 -0.432 1 1 391 . 11 1 1 A 36 36 LYS C C 42 176.596 176.947 -0.351 1 1 392 . 11 1 1 A 36 36 LYS CA C 42 58.687 58.260 0.427 1 1 393 . 11 1 1 A 36 36 LYS CB C 42 31.959 32.265 -0.306 1 1 397 . 11 1 1 A 36 36 LYS N N 42 119.360 122.319 -2.959 1 1 398 . 11 1 1 A 37 37 ASN H H 43 8.513 7.800 0.713 1 1 399 . 11 1 1 A 37 37 ASN HA H 43 4.438 4.827 -0.389 1 1 404 . 11 1 1 A 37 37 ASN C C 43 173.867 175.424 -1.557 1 1 405 . 11 1 1 A 37 37 ASN CA C 43 55.127 53.498 1.629 1 1 406 . 11 1 1 A 37 37 ASN CB C 43 37.071 39.949 -2.878 1 1 407 . 11 1 1 A 37 37 ASN N N 43 115.488 115.221 0.267 1 1 409 . 11 1 1 A 38 38 GLU H H 44 7.793 7.847 -0.054 1 1 410 . 11 1 1 A 38 38 GLU HA H 44 4.772 4.634 0.138 1 1 413 . 11 1 1 A 38 38 GLU C C 44 175.262 175.236 0.026 1 1 414 . 11 1 1 A 38 38 GLU CA C 44 54.808 55.432 -0.624 1 1 415 . 11 1 1 A 38 38 GLU CB C 44 32.321 30.447 1.874 1 1 416 . 11 1 1 A 38 38 GLU N N 44 118.734 117.627 1.107 1 1 417 . 11 1 1 A 39 39 LYS H H 45 8.706 8.813 -0.107 1 1 418 . 11 1 1 A 39 39 LYS HA H 45 4.606 5.235 -0.629 1 1 427 . 11 1 1 A 39 39 LYS C C 45 174.312 174.066 0.246 1 1 428 . 11 1 1 A 39 39 LYS CA C 45 52.782 54.709 -1.927 1 1 429 . 11 1 1 A 39 39 LYS CB C 45 35.174 35.944 -0.770 1 1 433 . 11 1 1 A 39 39 LYS N N 45 117.132 123.056 -5.924 1 1 434 . 11 1 1 A 40 40 LEU H H 46 9.085 9.242 -0.157 1 1 435 . 11 1 1 A 40 40 LEU HA H 46 5.044 5.083 -0.039 1 1 442 . 11 1 1 A 40 40 LEU C C 46 173.778 173.787 -0.009 1 1 443 . 11 1 1 A 40 40 LEU CA C 46 52.590 53.465 -0.875 1 1 444 . 11 1 1 A 40 40 LEU CB C 46 44.855 46.265 -1.410 1 1 447 . 11 1 1 A 40 40 LEU N N 46 125.335 127.878 -2.543 1 1 448 . 11 1 1 A 41 41 LYS H H 47 9.263 9.079 0.184 1 1 449 . 11 1 1 A 41 41 LYS HA H 47 5.049 5.128 -0.079 1 1 458 . 11 1 1 A 41 41 LYS C C 47 175.616 174.844 0.772 1 1 459 . 11 1 1 A 41 41 LYS CA C 47 53.864 54.521 -0.657 1 1 460 . 11 1 1 A 41 41 LYS CB C 47 32.986 35.397 -2.411 1 1 464 . 11 1 1 A 41 41 LYS N N 47 129.833 125.270 4.563 1 1 465 . 11 1 1 A 42 42 LEU H H 48 8.954 8.990 -0.036 1 1 466 . 11 1 1 A 42 42 LEU HA H 48 5.458 5.238 0.220 1 1 476 . 11 1 1 A 42 42 LEU C C 48 175.565 176.065 -0.500 1 1 477 . 11 1 1 A 42 42 LEU CA C 48 51.964 53.425 -1.461 1 1 478 . 11 1 1 A 42 42 LEU CB C 48 44.393 43.993 0.400 1 1 482 . 11 1 1 A 42 42 LEU N N 48 126.292 128.287 -1.995 1 1 483 . 11 1 1 A 43 43 ALA H H 49 8.804 8.542 0.262 1 1 484 . 11 1 1 A 43 43 ALA HA H 49 5.304 5.296 0.008 1 1 488 . 11 1 1 A 43 43 ALA C C 49 176.301 175.755 0.546 1 1 489 . 11 1 1 A 43 43 ALA CA C 49 51.004 51.588 -0.584 1 1 490 . 11 1 1 A 43 43 ALA CB C 49 23.453 22.854 0.599 1 1 491 . 11 1 1 A 43 43 ALA N N 49 120.789 122.583 -1.794 1 1 492 . 11 1 1 A 44 44 ALA H H 50 8.117 8.703 -0.586 1 1 493 . 11 1 1 A 44 44 ALA HA H 50 4.485 4.516 -0.031 1 1 497 . 11 1 1 A 44 44 ALA C C 50 176.254 176.673 -0.419 1 1 498 . 11 1 1 A 44 44 ALA CA C 50 53.021 51.781 1.240 1 1 499 . 11 1 1 A 44 44 ALA CB C 50 23.682 21.745 1.937 1 1 500 . 11 1 1 A 44 44 ALA N N 50 120.678 120.862 -0.184 1 1 501 . 11 1 1 A 45 45 GLN H H 51 9.035 9.335 -0.300 1 1 502 . 11 1 1 A 45 45 GLN HA H 51 3.774 3.911 -0.137 1 1 509 . 11 1 1 A 45 45 GLN C C 51 175.259 174.885 0.374 1 1 510 . 11 1 1 A 45 45 GLN CA C 51 56.074 56.711 -0.637 1 1 511 . 11 1 1 A 45 45 GLN CB C 51 27.339 27.499 -0.160 1 1 513 . 11 1 1 A 45 45 GLN N N 51 116.299 122.745 -6.446 1 1 515 . 11 1 1 A 46 46 GLY H H 52 8.441 8.457 -0.016 1 1 516 . 11 1 1 A 46 46 GLY HA2 H 52 4.066 3.816 0.250 1 1 517 . 11 1 1 A 46 46 GLY HA3 H 52 3.510 3.818 -0.308 1 1 518 . 11 1 1 A 46 46 GLY C C 52 173.050 173.643 -0.593 1 1 519 . 11 1 1 A 46 46 GLY CA C 52 44.998 45.200 -0.202 1 1 520 . 11 1 1 A 46 46 GLY N N 52 105.419 105.472 -0.053 1 1 521 . 11 1 1 A 47 47 ALA H H 53 8.152 7.649 0.503 1 1 522 . 11 1 1 A 47 47 ALA HA H 53 4.767 4.724 0.043 1 1 526 . 11 1 1 A 47 47 ALA C C 53 175.989 176.134 -0.145 1 1 527 . 11 1 1 A 47 47 ALA CA C 53 49.918 50.916 -0.998 1 1 528 . 11 1 1 A 47 47 ALA CB C 53 22.720 21.899 0.821 1 1 529 . 11 1 1 A 47 47 ALA N N 53 124.355 123.321 1.034 1 1 530 . 11 1 1 A 48 48 GLU H H 54 8.156 9.160 -1.004 1 1 531 . 11 1 1 A 48 48 GLU HA H 54 5.488 5.433 0.055 1 1 536 . 11 1 1 A 48 48 GLU C C 54 174.224 174.064 0.160 1 1 537 . 11 1 1 A 48 48 GLU CA C 54 54.346 54.960 -0.614 1 1 538 . 11 1 1 A 48 48 GLU CB C 54 34.305 33.472 0.833 1 1 540 . 11 1 1 A 48 48 GLU N N 54 116.655 116.382 0.273 1 1 541 . 11 1 1 A 49 49 LYS H H 55 8.852 8.775 0.077 1 1 542 . 11 1 1 A 49 49 LYS HA H 55 4.190 5.051 -0.861 1 1 549 . 11 1 1 A 49 49 LYS C C 55 172.887 174.318 -1.431 1 1 550 . 11 1 1 A 49 49 LYS CA C 55 56.414 55.076 1.338 1 1 551 . 11 1 1 A 49 49 LYS CB C 55 34.723 36.214 -1.491 1 1 554 . 11 1 1 A 49 49 LYS N N 55 122.922 123.205 -0.283 1 1 555 . 11 1 1 A 50 50 THR H H 56 7.910 8.624 -0.714 1 1 556 . 11 1 1 A 50 50 THR HA H 56 4.908 5.478 -0.570 1 1 561 . 11 1 1 A 50 50 THR C C 56 173.112 172.743 0.369 1 1 562 . 11 1 1 A 50 50 THR CA C 56 61.998 59.322 2.676 1 1 563 . 11 1 1 A 50 50 THR CB C 56 68.596 71.585 -2.989 1 1 565 . 11 1 1 A 50 50 THR N N 56 120.811 113.758 7.053 1 1 566 . 11 1 1 A 51 51 TYR H H 57 9.432 9.138 0.294 1 1 567 . 11 1 1 A 51 51 TYR HA H 57 4.493 5.370 -0.877 1 1 574 . 11 1 1 A 51 51 TYR C C 57 174.156 175.495 -1.339 1 1 575 . 11 1 1 A 51 51 TYR CA C 57 57.375 55.792 1.583 1 1 576 . 11 1 1 A 51 51 TYR CB C 57 41.895 41.599 0.296 1 1 577 . 11 1 1 A 51 51 TYR N N 57 127.372 120.401 6.971 1 1 578 . 11 1 1 A 52 52 GLY H H 58 9.154 8.636 0.518 1 1 579 . 11 1 1 A 52 52 GLY HA2 H 58 3.543 4.170 -0.627 1 1 580 . 11 1 1 A 52 52 GLY HA3 H 58 3.543 4.177 -0.634 1 1 581 . 11 1 1 A 52 52 GLY C C 58 172.527 173.954 -1.427 1 1 582 . 11 1 1 A 52 52 GLY CA C 58 42.304 45.818 -3.514 1 1 583 . 11 1 1 A 52 52 GLY N N 58 108.920 111.213 -2.293 1 1 584 . 11 1 1 A 53 53 ASN H H 59 8.877 7.815 1.062 1 1 585 . 11 1 1 A 53 53 ASN HA H 59 4.034 5.112 -1.078 1 1 588 . 11 1 1 A 53 53 ASN C C 59 176.319 173.604 2.715 1 1 589 . 11 1 1 A 53 53 ASN CA C 59 57.108 52.324 4.784 1 1 590 . 11 1 1 A 53 53 ASN CB C 59 39.672 42.164 -2.492 1 1 591 . 11 1 1 A 53 53 ASN N N 59 117.281 115.380 1.901 1 1 592 . 11 1 1 A 54 54 GLY H H 60 8.949 8.972 -0.023 1 1 593 . 11 1 1 A 54 54 GLY HA2 H 60 4.222 3.858 0.364 1 1 594 . 11 1 1 A 54 54 GLY HA3 H 60 3.348 3.887 -0.539 1 1 595 . 11 1 1 A 54 54 GLY C C 60 174.096 172.565 1.531 1 1 596 . 11 1 1 A 54 54 GLY CA C 60 44.931 46.828 -1.897 1 1 597 . 11 1 1 A 54 54 GLY N N 60 114.860 111.399 3.461 1 1 598 . 11 1 1 A 55 55 ASP H H 61 7.991 8.248 -0.257 1 1 599 . 11 1 1 A 55 55 ASP HA H 61 4.493 5.194 -0.701 1 1 602 . 11 1 1 A 55 55 ASP C C 61 174.727 174.244 0.483 1 1 603 . 11 1 1 A 55 55 ASP CA C 61 54.408 52.431 1.977 1 1 604 . 11 1 1 A 55 55 ASP CB C 61 41.780 43.979 -2.199 1 1 605 . 11 1 1 A 55 55 ASP N N 61 121.974 124.582 -2.608 1 1 606 . 11 1 1 A 56 56 SER H H 62 8.485 8.922 -0.437 1 1 607 . 11 1 1 A 56 56 SER HA H 62 4.959 5.296 -0.337 1 1 610 . 11 1 1 A 56 56 SER C C 62 173.099 173.008 0.091 1 1 611 . 11 1 1 A 56 56 SER CA C 62 57.154 56.510 0.644 1 1 612 . 11 1 1 A 56 56 SER CB C 62 64.522 65.882 -1.360 1 1 613 . 11 1 1 A 56 56 SER N N 62 113.088 114.485 -1.397 1 1 614 . 11 1 1 A 57 57 LEU H H 63 9.004 8.651 0.353 1 1 615 . 11 1 1 A 57 57 LEU HA H 63 4.500 5.092 -0.592 1 1 625 . 11 1 1 A 57 57 LEU C C 63 175.943 175.786 0.157 1 1 626 . 11 1 1 A 57 57 LEU CA C 63 53.070 54.199 -1.129 1 1 627 . 11 1 1 A 57 57 LEU CB C 63 43.800 43.572 0.228 1 1 630 . 11 1 1 A 57 57 LEU N N 63 126.423 124.968 1.455 1 1 631 . 11 1 1 A 58 58 ASN H H 64 8.484 8.707 -0.223 1 1 632 . 11 1 1 A 58 58 ASN HA H 64 4.752 4.870 -0.118 1 1 635 . 11 1 1 A 58 58 ASN C C 64 173.916 175.919 -2.003 1 1 636 . 11 1 1 A 58 58 ASN CA C 64 50.587 53.631 -3.044 1 1 637 . 11 1 1 A 58 58 ASN CB C 64 35.153 38.433 -3.280 1 1 638 . 11 1 1 A 58 58 ASN N N 64 125.624 124.529 1.095 1 1 639 . 11 1 1 A 59 59 THR H H 65 7.747 8.489 -0.742 1 1 640 . 11 1 1 A 59 59 THR HA H 65 4.770 4.766 0.004 1 1 645 . 11 1 1 A 59 59 THR C C 65 177.245 174.677 2.568 1 1 646 . 11 1 1 A 59 59 THR CA C 65 63.213 61.977 1.236 1 1 647 . 11 1 1 A 59 59 THR CB C 65 63.510 71.233 -7.723 1 1 649 . 11 1 1 A 59 59 THR N N 65 113.770 113.517 0.253 1 1 650 . 11 1 1 A 60 60 GLY H H 66 8.869 8.408 0.461 1 1 651 . 11 1 1 A 60 60 GLY HA2 H 66 3.839 3.990 -0.151 1 1 652 . 11 1 1 A 60 60 GLY HA3 H 66 3.724 3.993 -0.269 1 1 653 . 11 1 1 A 60 60 GLY C C 66 173.279 176.045 -2.766 1 1 654 . 11 1 1 A 60 60 GLY CA C 66 44.892 45.381 -0.489 1 1 655 . 11 1 1 A 60 60 GLY N N 66 114.430 110.252 4.178 1 1 656 . 11 1 1 A 61 61 LYS H H 67 6.376 8.775 -2.399 1 1 657 . 11 1 1 A 61 61 LYS HA H 67 4.021 3.940 0.081 1 1 666 . 11 1 1 A 61 61 LYS C C 67 176.315 176.745 -0.430 1 1 667 . 11 1 1 A 61 61 LYS CA C 67 54.298 59.213 -4.915 1 1 668 . 11 1 1 A 61 61 LYS CB C 67 32.200 32.214 -0.014 1 1 672 . 11 1 1 A 61 61 LYS N N 67 112.620 122.352 -9.732 1 1 673 . 11 1 1 A 62 62 LEU H H 68 7.335 8.083 -0.748 1 1 674 . 11 1 1 A 62 62 LEU HA H 68 4.275 4.208 0.067 1 1 684 . 11 1 1 A 62 62 LEU C C 68 176.306 175.258 1.048 1 1 685 . 11 1 1 A 62 62 LEU CA C 68 52.479 57.206 -4.727 1 1 686 . 11 1 1 A 62 62 LEU CB C 68 40.600 42.005 -1.405 1 1 689 . 11 1 1 A 62 62 LEU N N 68 116.704 120.141 -3.437 1 1 690 . 11 1 1 A 63 63 LYS H H 69 8.506 7.906 0.600 1 1 691 . 11 1 1 A 63 63 LYS HA H 69 3.992 4.572 -0.580 1 1 700 . 11 1 1 A 63 63 LYS C C 69 175.886 176.162 -0.276 1 1 701 . 11 1 1 A 63 63 LYS CA C 69 54.986 55.494 -0.508 1 1 702 . 11 1 1 A 63 63 LYS CB C 69 32.447 35.656 -3.209 1 1 706 . 11 1 1 A 63 63 LYS N N 69 119.841 119.330 0.511 1 1 707 . 11 1 1 A 64 64 ASN H H 70 8.080 8.701 -0.621 1 1 708 . 11 1 1 A 64 64 ASN HA H 70 3.839 4.340 -0.501 1 1 713 . 11 1 1 A 64 64 ASN C C 70 174.449 175.967 -1.518 1 1 714 . 11 1 1 A 64 64 ASN CA C 70 54.417 56.552 -2.135 1 1 715 . 11 1 1 A 64 64 ASN CB C 70 38.129 38.680 -0.551 1 1 716 . 11 1 1 A 64 64 ASN N N 70 121.515 122.733 -1.218 1 1 718 . 11 1 1 A 65 65 ASP H H 71 9.218 7.686 1.532 1 1 719 . 11 1 1 A 65 65 ASP HA H 71 3.690 5.129 -1.439 1 1 722 . 11 1 1 A 65 65 ASP C C 71 173.016 175.599 -2.583 1 1 723 . 11 1 1 A 65 65 ASP CA C 71 54.726 53.221 1.505 1 1 724 . 11 1 1 A 65 65 ASP CB C 71 38.534 40.676 -2.142 1 1 725 . 11 1 1 A 65 65 ASP N N 71 113.370 112.497 0.873 1 1 726 . 11 1 1 A 66 66 LYS H H 72 6.443 8.559 -2.116 1 1 727 . 11 1 1 A 66 66 LYS HA H 72 4.411 4.888 -0.477 1 1 734 . 11 1 1 A 66 66 LYS C C 72 174.745 175.013 -0.268 1 1 735 . 11 1 1 A 66 66 LYS CA C 72 53.094 54.529 -1.435 1 1 736 . 11 1 1 A 66 66 LYS CB C 72 36.099 35.951 0.148 1 1 739 . 11 1 1 A 66 66 LYS N N 72 113.415 117.745 -4.330 1 1 740 . 11 1 1 A 67 67 VAL H H 73 8.679 8.186 0.493 1 1 741 . 11 1 1 A 67 67 VAL HA H 73 4.189 4.473 -0.284 1 1 749 . 11 1 1 A 67 67 VAL C C 73 176.630 174.691 1.939 1 1 750 . 11 1 1 A 67 67 VAL CA C 73 62.135 60.385 1.750 1 1 751 . 11 1 1 A 67 67 VAL CB C 73 32.001 32.905 -0.904 1 1 753 . 11 1 1 A 67 67 VAL N N 73 122.098 118.025 4.073 1 1 754 . 11 1 1 A 68 68 SER H H 74 9.497 8.773 0.724 1 1 755 . 11 1 1 A 68 68 SER HA H 74 4.507 5.002 -0.495 1 1 758 . 11 1 1 A 68 68 SER C C 74 172.249 173.568 -1.319 1 1 759 . 11 1 1 A 68 68 SER CA C 74 58.323 57.148 1.175 1 1 760 . 11 1 1 A 68 68 SER CB C 74 64.028 66.175 -2.147 1 1 761 . 11 1 1 A 68 68 SER N N 74 127.048 119.828 7.220 1 1 762 . 11 1 1 A 69 69 ARG H H 75 7.848 8.224 -0.376 1 1 763 . 11 1 1 A 69 69 ARG HA H 75 5.031 4.243 0.788 1 1 770 . 11 1 1 A 69 69 ARG C C 75 173.300 175.730 -2.430 1 1 771 . 11 1 1 A 69 69 ARG CA C 75 55.337 56.090 -0.753 1 1 772 . 11 1 1 A 69 69 ARG CB C 75 31.871 30.695 1.176 1 1 775 . 11 1 1 A 69 69 ARG N N 75 122.621 123.909 -1.288 1 1 776 . 11 1 1 A 70 70 PHE H H 76 9.246 8.604 0.642 1 1 777 . 11 1 1 A 70 70 PHE HA H 76 4.808 4.904 -0.096 1 1 784 . 11 1 1 A 70 70 PHE C C 76 175.788 174.327 1.461 1 1 785 . 11 1 1 A 70 70 PHE CA C 76 55.245 56.794 -1.549 1 1 786 . 11 1 1 A 70 70 PHE CB C 76 43.645 43.301 0.344 1 1 787 . 11 1 1 A 70 70 PHE N N 76 118.087 119.172 -1.085 1 1 788 . 11 1 1 A 71 71 ASP H H 77 9.144 9.196 -0.052 1 1 789 . 11 1 1 A 71 71 ASP HA H 77 5.360 5.096 0.264 1 1 792 . 11 1 1 A 71 71 ASP C C 77 176.477 175.476 1.001 1 1 793 . 11 1 1 A 71 71 ASP CA C 77 55.131 54.152 0.979 1 1 794 . 11 1 1 A 71 71 ASP CB C 77 41.301 42.442 -1.141 1 1 795 . 11 1 1 A 71 71 ASP N N 77 123.565 123.539 0.026 1 1 796 . 11 1 1 A 72 72 PHE H H 78 9.094 8.694 0.400 1 1 797 . 11 1 1 A 72 72 PHE HA H 78 6.431 5.326 1.105 1 1 805 . 11 1 1 A 72 72 PHE C C 78 174.014 173.477 0.537 1 1 806 . 11 1 1 A 72 72 PHE CA C 78 54.934 56.722 -1.788 1 1 807 . 11 1 1 A 72 72 PHE CB C 78 42.491 42.512 -0.021 1 1 808 . 11 1 1 A 72 72 PHE N N 78 119.663 125.520 -5.857 1 1 809 . 11 1 1 A 73 73 ILE H H 79 8.623 8.899 -0.276 1 1 810 . 11 1 1 A 73 73 ILE HA H 79 4.334 5.188 -0.854 1 1 820 . 11 1 1 A 73 73 ILE C C 79 173.961 175.333 -1.372 1 1 821 . 11 1 1 A 73 73 ILE CA C 79 61.222 60.033 1.189 1 1 822 . 11 1 1 A 73 73 ILE CB C 79 41.918 42.331 -0.413 1 1 826 . 11 1 1 A 73 73 ILE N N 79 119.750 126.874 -7.124 1 1 827 . 11 1 1 A 74 74 ARG H H 80 9.052 8.692 0.360 1 1 828 . 11 1 1 A 74 74 ARG HA H 80 5.311 5.118 0.193 1 1 835 . 11 1 1 A 74 74 ARG C C 80 174.870 174.438 0.432 1 1 836 . 11 1 1 A 74 74 ARG CA C 80 54.449 54.777 -0.328 1 1 837 . 11 1 1 A 74 74 ARG CB C 80 33.740 33.714 0.026 1 1 840 . 11 1 1 A 74 74 ARG N N 80 128.407 124.599 3.808 1 1 841 . 11 1 1 A 75 75 GLN H H 81 9.304 9.067 0.237 1 1 842 . 11 1 1 A 75 75 GLN HA H 81 5.562 5.192 0.370 1 1 849 . 11 1 1 A 75 75 GLN C C 81 173.678 173.785 -0.107 1 1 850 . 11 1 1 A 75 75 GLN CA C 81 53.745 54.517 -0.772 1 1 851 . 11 1 1 A 75 75 GLN CB C 81 34.013 32.799 1.214 1 1 853 . 11 1 1 A 75 75 GLN N N 81 125.481 119.121 6.360 1 1 855 . 11 1 1 A 76 76 ILE H H 82 8.592 8.822 -0.230 1 1 856 . 11 1 1 A 76 76 ILE HA H 82 4.576 4.705 -0.129 1 1 866 . 11 1 1 A 76 76 ILE C C 82 172.511 174.246 -1.735 1 1 867 . 11 1 1 A 76 76 ILE CA C 82 59.622 59.663 -0.041 1 1 868 . 11 1 1 A 76 76 ILE CB C 82 42.248 41.879 0.369 1 1 872 . 11 1 1 A 76 76 ILE N N 82 115.536 123.405 -7.869 1 1 873 . 11 1 1 A 77 77 GLU H H 83 8.433 8.514 -0.081 1 1 874 . 11 1 1 A 77 77 GLU HA H 83 4.936 4.729 0.207 1 1 879 . 11 1 1 A 77 77 GLU C C 83 175.614 175.740 -0.126 1 1 880 . 11 1 1 A 77 77 GLU CA C 83 54.812 55.579 -0.767 1 1 881 . 11 1 1 A 77 77 GLU CB C 83 30.465 28.975 1.490 1 1 883 . 11 1 1 A 77 77 GLU N N 83 124.858 129.054 -4.196 1 1 884 . 11 1 1 A 78 78 VAL H H 84 8.879 7.530 1.349 1 1 885 . 11 1 1 A 78 78 VAL HA H 84 4.076 4.042 0.034 1 1 893 . 11 1 1 A 78 78 VAL C C 84 175.694 175.400 0.294 1 1 894 . 11 1 1 A 78 78 VAL CA C 84 61.382 62.634 -1.252 1 1 895 . 11 1 1 A 78 78 VAL CB C 84 34.014 31.688 2.326 1 1 897 . 11 1 1 A 78 78 VAL N N 84 126.973 118.856 8.117 1 1 898 . 11 1 1 A 79 79 ASP H H 85 9.329 9.449 -0.120 1 1 899 . 11 1 1 A 79 79 ASP HA H 85 4.156 4.348 -0.192 1 1 902 . 11 1 1 A 79 79 ASP C C 85 175.774 176.103 -0.329 1 1 903 . 11 1 1 A 79 79 ASP CA C 85 55.125 55.381 -0.256 1 1 904 . 11 1 1 A 79 79 ASP CB C 85 38.926 39.624 -0.698 1 1 905 . 11 1 1 A 79 79 ASP N N 85 129.387 122.743 6.644 1 1 906 . 11 1 1 A 80 80 GLY H H 86 8.575 8.565 0.010 1 1 907 . 11 1 1 A 80 80 GLY HA2 H 86 3.992 3.888 0.104 1 1 908 . 11 1 1 A 80 80 GLY HA3 H 86 3.507 3.888 -0.381 1 1 909 . 11 1 1 A 80 80 GLY C C 86 173.366 173.815 -0.449 1 1 910 . 11 1 1 A 80 80 GLY CA C 86 44.759 45.808 -1.049 1 1 911 . 11 1 1 A 80 80 GLY N N 86 103.293 104.228 -0.935 1 1 912 . 11 1 1 A 81 81 GLN H H 87 7.751 7.849 -0.098 1 1 913 . 11 1 1 A 81 81 GLN HA H 87 4.482 4.634 -0.152 1 1 918 . 11 1 1 A 81 81 GLN C C 87 173.874 174.949 -1.075 1 1 919 . 11 1 1 A 81 81 GLN CA C 87 53.328 54.584 -1.256 1 1 920 . 11 1 1 A 81 81 GLN CB C 87 30.670 30.775 -0.105 1 1 922 . 11 1 1 A 81 81 GLN N N 87 119.688 118.902 0.786 1 1 923 . 11 1 1 A 82 82 LEU H H 88 8.418 9.118 -0.700 1 1 924 . 11 1 1 A 82 82 LEU HA H 88 4.630 4.713 -0.083 1 1 934 . 11 1 1 A 82 82 LEU C C 88 176.289 175.885 0.404 1 1 935 . 11 1 1 A 82 82 LEU CA C 88 53.834 53.788 0.046 1 1 936 . 11 1 1 A 82 82 LEU CB C 88 41.737 41.177 0.560 1 1 940 . 11 1 1 A 82 82 LEU N N 88 123.523 123.825 -0.302 1 1 941 . 11 1 1 A 83 83 ILE H H 89 9.146 8.437 0.709 1 1 942 . 11 1 1 A 83 83 ILE HA H 89 4.249 4.578 -0.329 1 1 952 . 11 1 1 A 83 83 ILE C C 89 175.698 175.342 0.356 1 1 953 . 11 1 1 A 83 83 ILE CA C 89 59.363 61.138 -1.775 1 1 954 . 11 1 1 A 83 83 ILE CB C 89 39.633 37.033 2.600 1 1 958 . 11 1 1 A 83 83 ILE N N 89 127.151 123.970 3.181 1 1 959 . 11 1 1 A 84 84 THR H H 90 8.656 9.051 -0.395 1 1 960 . 11 1 1 A 84 84 THR HA H 90 4.203 4.849 -0.646 1 1 965 . 11 1 1 A 84 84 THR C C 90 172.890 173.628 -0.738 1 1 966 . 11 1 1 A 84 84 THR CA C 90 62.641 61.008 1.633 1 1 967 . 11 1 1 A 84 84 THR CB C 90 68.634 69.246 -0.612 1 1 969 . 11 1 1 A 84 84 THR N N 90 123.099 124.322 -1.223 1 1 970 . 11 1 1 A 85 85 LEU H H 91 8.967 8.440 0.527 1 1 971 . 11 1 1 A 85 85 LEU HA H 91 4.256 4.664 -0.408 1 1 980 . 11 1 1 A 85 85 LEU C C 91 177.371 175.840 1.531 1 1 981 . 11 1 1 A 85 85 LEU CA C 91 55.527 54.336 1.191 1 1 982 . 11 1 1 A 85 85 LEU CB C 91 44.315 43.387 0.928 1 1 984 . 11 1 1 A 85 85 LEU N N 91 125.333 127.941 -2.608 1 1 985 . 11 1 1 A 86 86 GLU H H 92 7.503 7.830 -0.327 1 1 986 . 11 1 1 A 86 86 GLU HA H 92 5.026 4.943 0.083 1 1 991 . 11 1 1 A 86 86 GLU C C 92 172.723 175.981 -3.258 1 1 992 . 11 1 1 A 86 86 GLU CA C 92 54.670 55.428 -0.758 1 1 993 . 11 1 1 A 86 86 GLU CB C 92 33.717 31.013 2.704 1 1 995 . 11 1 1 A 86 86 GLU N N 92 116.655 120.553 -3.898 1 1 996 . 11 1 1 A 87 87 SER H H 93 8.954 8.587 0.367 1 1 997 . 11 1 1 A 87 87 SER HA H 93 4.245 5.548 -1.303 1 1 1000 . 11 1 1 A 87 87 SER C C 93 172.763 173.368 -0.605 1 1 1001 . 11 1 1 A 87 87 SER CA C 93 57.328 56.901 0.427 1 1 1002 . 11 1 1 A 87 87 SER CB C 93 65.493 66.528 -1.035 1 1 1003 . 11 1 1 A 87 87 SER N N 93 117.941 118.111 -0.170 1 1 1004 . 11 1 1 A 88 88 GLY H H 94 6.932 8.528 -1.596 1 1 1005 . 11 1 1 A 88 88 GLY HA2 H 94 3.694 4.381 -0.687 1 1 1006 . 11 1 1 A 88 88 GLY HA3 H 94 3.694 4.387 -0.693 1 1 1007 . 11 1 1 A 88 88 GLY C C 94 171.117 171.617 -0.500 1 1 1008 . 11 1 1 A 88 88 GLY CA C 94 46.575 46.295 0.280 1 1 1009 . 11 1 1 A 88 88 GLY N N 94 108.625 107.636 0.989 1 1 1010 . 11 1 1 A 89 89 GLU H H 95 9.669 9.082 0.587 1 1 1011 . 11 1 1 A 89 89 GLU HA H 95 5.642 5.203 0.439 1 1 1016 . 11 1 1 A 89 89 GLU C C 95 173.226 174.414 -1.188 1 1 1017 . 11 1 1 A 89 89 GLU CA C 95 54.786 55.246 -0.460 1 1 1018 . 11 1 1 A 89 89 GLU CB C 95 34.334 33.278 1.056 1 1 1020 . 11 1 1 A 89 89 GLU N N 95 128.231 122.171 6.060 1 1 1021 . 11 1 1 A 90 90 PHE H H 96 10.365 8.884 1.481 1 1 1022 . 11 1 1 A 90 90 PHE HA H 96 5.048 4.855 0.193 1 1 1029 . 11 1 1 A 90 90 PHE C C 96 173.039 173.863 -0.824 1 1 1030 . 11 1 1 A 90 90 PHE CA C 96 54.616 57.596 -2.980 1 1 1031 . 11 1 1 A 90 90 PHE CB C 96 42.090 41.242 0.848 1 1 1032 . 11 1 1 A 90 90 PHE N N 96 131.583 126.184 5.399 1 1 1033 . 11 1 1 A 91 91 GLN H H 97 8.685 8.541 0.144 1 1 1034 . 11 1 1 A 91 91 GLN HA H 97 4.959 4.737 0.222 1 1 1041 . 11 1 1 A 91 91 GLN C C 97 174.151 174.726 -0.575 1 1 1042 . 11 1 1 A 91 91 GLN CA C 97 53.174 55.562 -2.388 1 1 1043 . 11 1 1 A 91 91 GLN CB C 97 28.812 29.462 -0.650 1 1 1045 . 11 1 1 A 91 91 GLN N N 97 126.465 126.359 0.106 1 1 1047 . 11 1 1 A 92 92 VAL H H 98 8.675 9.267 -0.592 1 1 1048 . 11 1 1 A 92 92 VAL HA H 98 4.569 4.412 0.157 1 1 1056 . 11 1 1 A 92 92 VAL C C 98 173.802 174.561 -0.759 1 1 1057 . 11 1 1 A 92 92 VAL CA C 98 59.715 61.331 -1.616 1 1 1058 . 11 1 1 A 92 92 VAL CB C 98 35.074 33.161 1.913 1 1 1061 . 11 1 1 A 92 92 VAL N N 98 118.841 125.352 -6.511 1 1 1062 . 11 1 1 A 93 93 TYR H H 99 8.896 9.097 -0.201 1 1 1063 . 11 1 1 A 93 93 TYR HA H 99 4.940 4.706 0.234 1 1 1070 . 11 1 1 A 93 93 TYR C C 99 173.330 175.003 -1.673 1 1 1071 . 11 1 1 A 93 93 TYR CA C 99 56.948 58.411 -1.463 1 1 1072 . 11 1 1 A 93 93 TYR CB C 99 40.780 39.470 1.310 1 1 1073 . 11 1 1 A 93 93 TYR N N 99 127.563 129.475 -1.912 1 1 1074 . 11 1 1 A 94 94 LYS H H 100 5.813 9.027 -3.214 1 1 1075 . 11 1 1 A 94 94 LYS HA H 100 4.248 5.169 -0.921 1 1 1082 . 11 1 1 A 94 94 LYS CA C 100 55.660 55.122 0.538 1 1 1083 . 11 1 1 A 94 94 LYS CB C 100 35.870 35.481 0.389 1 1 1084 . 11 1 1 A 94 94 LYS N N 100 128.378 125.078 3.300 1 1 1085 . 11 1 1 A 95 95 GLN H H 101 8.438 8.358 0.080 1 1 1086 . 11 1 1 A 95 95 GLN HA H 101 5.028 4.594 0.434 1 1 1091 . 11 1 1 A 95 95 GLN C C 101 174.080 174.979 -0.899 1 1 1092 . 11 1 1 A 95 95 GLN CA C 101 54.043 54.885 -0.842 1 1 1093 . 11 1 1 A 95 95 GLN CB C 101 27.209 32.061 -4.852 1 1 1095 . 11 1 1 A 95 95 GLN N N 101 125.809 122.371 3.438 1 1 1096 . 11 1 1 A 96 96 SER H H 102 9.057 8.590 0.467 1 1 1097 . 11 1 1 A 96 96 SER HA H 102 3.041 3.927 -0.886 1 1 1100 . 11 1 1 A 96 96 SER CA C 102 62.985 61.951 1.034 1 1 1101 . 11 1 1 A 96 96 SER CB C 102 63.242 62.953 0.289 1 1 1102 . 11 1 1 A 96 96 SER N N 102 117.650 116.500 1.150 1 1 1103 . 11 1 1 A 97 97 HIS H H 103 10.115 8.293 1.822 1 1 1104 . 11 1 1 A 97 97 HIS HA H 103 4.406 4.776 -0.370 1 1 1109 . 11 1 1 A 97 97 HIS CA C 103 53.809 55.918 -2.109 1 1 1110 . 11 1 1 A 97 97 HIS CB C 103 30.329 31.496 -1.167 1 1 1111 . 11 1 1 A 97 97 HIS N N 103 118.385 113.834 4.551 1 1 1112 . 11 1 1 A 98 98 SER H H 104 7.241 7.823 -0.582 1 1 1113 . 11 1 1 A 98 98 SER HA H 104 4.406 4.871 -0.465 1 1 1116 . 11 1 1 A 98 98 SER CA C 104 56.712 56.794 -0.082 1 1 1117 . 11 1 1 A 98 98 SER CB C 104 65.461 64.722 0.739 1 1 1118 . 11 1 1 A 98 98 SER N N 104 112.298 112.231 0.067 1 1 1119 . 11 1 1 A 99 99 ALA H H 105 8.418 9.216 -0.798 1 1 1120 . 11 1 1 A 99 99 ALA HA H 105 4.753 5.267 -0.514 1 1 1124 . 11 1 1 A 99 99 ALA C C 105 173.181 176.173 -2.992 1 1 1125 . 11 1 1 A 99 99 ALA CA C 105 51.363 49.880 1.483 1 1 1126 . 11 1 1 A 99 99 ALA CB C 105 22.271 22.454 -0.183 1 1 1127 . 11 1 1 A 99 99 ALA N N 105 116.790 127.474 -10.684 1 1 1128 . 11 1 1 A 100 100 LEU H H 106 8.376 8.781 -0.405 1 1 1129 . 11 1 1 A 100 100 LEU HA H 106 5.549 5.275 0.274 1 1 1139 . 11 1 1 A 100 100 LEU C C 106 175.338 174.961 0.377 1 1 1140 . 11 1 1 A 100 100 LEU CA C 106 53.753 53.002 0.751 1 1 1141 . 11 1 1 A 100 100 LEU CB C 106 46.393 46.283 0.110 1 1 1145 . 11 1 1 A 100 100 LEU N N 106 115.214 117.712 -2.498 1 1 1146 . 11 1 1 A 101 101 THR H H 107 8.685 8.399 0.286 1 1 1147 . 11 1 1 A 101 101 THR HA H 107 5.287 5.050 0.237 1 1 1152 . 11 1 1 A 101 101 THR C C 107 172.493 172.902 -0.409 1 1 1153 . 11 1 1 A 101 101 THR CA C 107 57.069 59.594 -2.525 1 1 1154 . 11 1 1 A 101 101 THR CB C 107 71.308 71.186 0.122 1 1 1156 . 11 1 1 A 101 101 THR N N 107 109.441 116.751 -7.310 1 1 1157 . 11 1 1 A 102 102 ALA H H 108 8.459 8.314 0.145 1 1 1158 . 11 1 1 A 102 102 ALA HA H 108 4.366 5.226 -0.860 1 1 1162 . 11 1 1 A 102 102 ALA C C 108 173.439 175.931 -2.492 1 1 1163 . 11 1 1 A 102 102 ALA CA C 108 51.015 50.577 0.438 1 1 1164 . 11 1 1 A 102 102 ALA CB C 108 23.424 23.596 -0.172 1 1 1165 . 11 1 1 A 102 102 ALA N N 108 120.716 125.598 -4.882 1 1 1166 . 11 1 1 A 103 103 PHE H H 109 8.510 9.009 -0.499 1 1 1167 . 11 1 1 A 103 103 PHE HA H 109 4.715 5.175 -0.460 1 1 1175 . 11 1 1 A 103 103 PHE C C 109 174.173 175.186 -1.013 1 1 1176 . 11 1 1 A 103 103 PHE CA C 109 56.640 56.347 0.293 1 1 1177 . 11 1 1 A 103 103 PHE CB C 109 41.926 41.664 0.262 1 1 1178 . 11 1 1 A 103 103 PHE N N 109 115.041 118.930 -3.889 1 1 1179 . 11 1 1 A 104 104 GLN H H 110 9.832 8.479 1.353 1 1 1180 . 11 1 1 A 104 104 GLN HA H 110 5.226 4.993 0.233 1 1 1187 . 11 1 1 A 104 104 GLN C C 110 175.186 174.565 0.621 1 1 1188 . 11 1 1 A 104 104 GLN CA C 110 53.213 55.294 -2.081 1 1 1189 . 11 1 1 A 104 104 GLN CB C 110 29.161 29.948 -0.787 1 1 1191 . 11 1 1 A 104 104 GLN N N 110 124.526 122.093 2.433 1 1 1193 . 11 1 1 A 105 105 THR H H 111 9.566 8.923 0.643 1 1 1194 . 11 1 1 A 105 105 THR HA H 111 4.186 4.538 -0.352 1 1 1199 . 11 1 1 A 105 105 THR C C 111 174.538 173.825 0.713 1 1 1200 . 11 1 1 A 105 105 THR CA C 111 66.408 62.213 4.195 1 1 1201 . 11 1 1 A 105 105 THR CB C 111 69.385 69.782 -0.397 1 1 1203 . 11 1 1 A 105 105 THR N N 111 126.760 121.542 5.218 1 1 1204 . 11 1 1 A 106 106 GLU H H 112 9.303 8.719 0.584 1 1 1205 . 11 1 1 A 106 106 GLU HA H 112 4.811 4.749 0.062 1 1 1210 . 11 1 1 A 106 106 GLU C C 112 177.397 176.440 0.957 1 1 1211 . 11 1 1 A 106 106 GLU CA C 112 56.227 57.019 -0.792 1 1 1212 . 11 1 1 A 106 106 GLU CB C 112 31.283 32.437 -1.154 1 1 1214 . 11 1 1 A 106 106 GLU N N 112 121.685 125.031 -3.346 1 1 1215 . 11 1 1 A 107 107 GLN H H 113 7.954 7.233 0.721 1 1 1216 . 11 1 1 A 107 107 GLN HA H 113 5.233 4.925 0.308 1 1 1221 . 11 1 1 A 107 107 GLN C C 113 173.999 174.570 -0.571 1 1 1222 . 11 1 1 A 107 107 GLN CA C 113 53.837 54.641 -0.804 1 1 1223 . 11 1 1 A 107 107 GLN CB C 113 32.543 31.744 0.799 1 1 1225 . 11 1 1 A 107 107 GLN N N 113 117.612 116.996 0.616 1 1 1226 . 11 1 1 A 108 108 ILE H H 114 8.969 8.751 0.218 1 1 1227 . 11 1 1 A 108 108 ILE HA H 114 4.907 4.883 0.024 1 1 1237 . 11 1 1 A 108 108 ILE C C 114 174.089 174.333 -0.244 1 1 1238 . 11 1 1 A 108 108 ILE CA C 114 58.954 58.613 0.341 1 1 1239 . 11 1 1 A 108 108 ILE CB C 114 42.799 42.126 0.673 1 1 1243 . 11 1 1 A 108 108 ILE N N 114 115.049 118.966 -3.917 1 1 1244 . 11 1 1 A 109 109 GLN H H 115 7.421 8.575 -1.154 1 1 1245 . 11 1 1 A 109 109 GLN HA H 115 4.405 4.715 -0.310 1 1 1252 . 11 1 1 A 109 109 GLN C C 115 175.654 174.974 0.680 1 1 1253 . 11 1 1 A 109 109 GLN CA C 115 56.086 55.844 0.242 1 1 1254 . 11 1 1 A 109 109 GLN CB C 115 28.483 29.721 -1.238 1 1 1256 . 11 1 1 A 109 109 GLN N N 115 121.959 124.174 -2.215 1 1 1258 . 11 1 1 A 110 110 ASP H H 116 8.569 8.801 -0.232 1 1 1259 . 11 1 1 A 110 110 ASP HA H 116 4.377 5.083 -0.706 1 1 1262 . 11 1 1 A 110 110 ASP C C 116 176.662 176.246 0.416 1 1 1263 . 11 1 1 A 110 110 ASP CA C 116 53.511 53.407 0.104 1 1 1264 . 11 1 1 A 110 110 ASP CB C 116 41.187 43.518 -2.331 1 1 1265 . 11 1 1 A 110 110 ASP N N 116 125.621 125.993 -0.372 1 1 1266 . 11 1 1 A 111 111 SER H H 117 8.445 8.893 -0.448 1 1 1267 . 11 1 1 A 111 111 SER HA H 117 4.024 4.771 -0.747 1 1 1270 . 11 1 1 A 111 111 SER C C 117 174.783 175.036 -0.253 1 1 1271 . 11 1 1 A 111 111 SER CA C 117 60.782 57.964 2.818 1 1 1272 . 11 1 1 A 111 111 SER CB C 117 62.560 63.452 -0.892 1 1 1273 . 11 1 1 A 111 111 SER N N 117 120.732 121.215 -0.483 1 1 1274 . 11 1 1 A 112 112 GLU H H 118 8.246 7.850 0.396 1 1 1275 . 11 1 1 A 112 112 GLU HA H 118 4.044 4.389 -0.345 1 1 1280 . 11 1 1 A 112 112 GLU C C 118 175.899 177.138 -1.239 1 1 1281 . 11 1 1 A 112 112 GLU CA C 118 56.016 56.477 -0.461 1 1 1282 . 11 1 1 A 112 112 GLU CB C 118 29.853 30.682 -0.829 1 1 1284 . 11 1 1 A 112 112 GLU N N 118 119.367 118.639 0.728 1 1 1285 . 11 1 1 A 113 113 HIS H H 119 7.418 7.835 -0.417 1 1 1286 . 11 1 1 A 113 113 HIS HA H 119 4.607 4.754 -0.147 1 1 1291 . 11 1 1 A 113 113 HIS C C 119 173.527 174.573 -1.046 1 1 1292 . 11 1 1 A 113 113 HIS CA C 119 54.515 55.562 -1.047 1 1 1293 . 11 1 1 A 113 113 HIS CB C 119 28.667 30.798 -2.131 1 1 1294 . 11 1 1 A 113 113 HIS N N 119 117.287 117.755 -0.468 1 1 1295 . 11 1 1 A 114 114 SER H H 120 8.398 8.255 0.143 1 1 1296 . 11 1 1 A 114 114 SER HA H 120 4.183 4.209 -0.026 1 1 1299 . 11 1 1 A 114 114 SER C C 120 175.690 174.569 1.121 1 1 1300 . 11 1 1 A 114 114 SER CA C 120 59.149 59.366 -0.217 1 1 1301 . 11 1 1 A 114 114 SER CB C 120 62.820 61.588 1.232 1 1 1302 . 11 1 1 A 114 114 SER N N 120 116.771 112.918 3.853 1 1 1303 . 11 1 1 A 115 115 GLY H H 121 8.733 8.023 0.710 1 1 1304 . 11 1 1 A 115 115 GLY HA2 H 121 4.052 4.088 -0.036 1 1 1305 . 11 1 1 A 115 115 GLY HA3 H 121 3.724 4.092 -0.368 1 1 1306 . 11 1 1 A 115 115 GLY C C 121 173.540 175.074 -1.534 1 1 1307 . 11 1 1 A 115 115 GLY CA C 121 44.692 45.369 -0.677 1 1 1308 . 11 1 1 A 115 115 GLY N N 121 112.197 105.596 6.601 1 1 1309 . 11 1 1 A 116 116 LYS H H 122 7.796 7.879 -0.083 1 1 1310 . 11 1 1 A 116 116 LYS HA H 122 4.465 4.424 0.041 1 1 1317 . 11 1 1 A 116 116 LYS C C 122 175.090 175.330 -0.240 1 1 1318 . 11 1 1 A 116 116 LYS CA C 122 55.122 56.007 -0.885 1 1 1319 . 11 1 1 A 116 116 LYS CB C 122 33.861 34.293 -0.432 1 1 1322 . 11 1 1 A 116 116 LYS N N 122 120.212 120.449 -0.237 1 1 1323 . 11 1 1 A 117 117 MET H H 123 8.348 8.644 -0.296 1 1 1324 . 11 1 1 A 117 117 MET HA H 123 5.082 5.252 -0.170 1 1 1332 . 11 1 1 A 117 117 MET C C 123 176.210 174.304 1.906 1 1 1333 . 11 1 1 A 117 117 MET CA C 123 52.928 53.770 -0.842 1 1 1334 . 11 1 1 A 117 117 MET CB C 123 33.841 35.846 -2.005 1 1 1337 . 11 1 1 A 117 117 MET N N 123 119.755 116.868 2.887 1 1 1338 . 11 1 1 A 118 118 VAL H H 124 9.242 8.908 0.334 1 1 1339 . 11 1 1 A 118 118 VAL HA H 124 4.469 4.839 -0.370 1 1 1347 . 11 1 1 A 118 118 VAL C C 124 173.967 174.564 -0.597 1 1 1348 . 11 1 1 A 118 118 VAL CA C 124 59.056 59.445 -0.389 1 1 1349 . 11 1 1 A 118 118 VAL CB C 124 34.376 35.665 -1.289 1 1 1351 . 11 1 1 A 118 118 VAL N N 124 118.546 114.516 4.030 1 1 1352 . 11 1 1 A 119 119 ALA H H 125 8.327 8.566 -0.239 1 1 1353 . 11 1 1 A 119 119 ALA HA H 125 4.624 4.393 0.231 1 1 1357 . 11 1 1 A 119 119 ALA C C 125 177.165 176.914 0.251 1 1 1358 . 11 1 1 A 119 119 ALA CA C 125 52.043 51.604 0.439 1 1 1359 . 11 1 1 A 119 119 ALA CB C 125 18.232 17.209 1.023 1 1 1360 . 11 1 1 A 119 119 ALA N N 125 125.947 125.519 0.428 1 1 1361 . 11 1 1 A 120 120 LYS H H 126 7.604 7.828 -0.224 1 1 1362 . 11 1 1 A 120 120 LYS HA H 126 4.046 4.370 -0.324 1 1 1371 . 11 1 1 A 120 120 LYS C C 126 172.631 175.217 -2.586 1 1 1372 . 11 1 1 A 120 120 LYS CA C 126 56.023 55.426 0.597 1 1 1373 . 11 1 1 A 120 120 LYS CB C 126 34.482 30.869 3.613 1 1 1377 . 11 1 1 A 120 120 LYS N N 126 126.149 123.463 2.686 1 1 1378 . 11 1 1 A 121 121 ARG H H 127 8.308 8.187 0.121 1 1 1379 . 11 1 1 A 121 121 ARG HA H 127 4.901 4.643 0.258 1 1 1384 . 11 1 1 A 121 121 ARG C C 127 176.253 175.127 1.126 1 1 1385 . 11 1 1 A 121 121 ARG CA C 127 55.564 56.204 -0.640 1 1 1386 . 11 1 1 A 121 121 ARG CB C 127 28.273 29.860 -1.587 1 1 1388 . 11 1 1 A 121 121 ARG N N 127 122.760 126.704 -3.944 1 1 1389 . 11 1 1 A 122 122 GLN H H 128 7.529 8.903 -1.374 1 1 1390 . 11 1 1 A 122 122 GLN HA H 128 4.541 5.081 -0.540 1 1 1397 . 11 1 1 A 122 122 GLN C C 128 172.163 174.568 -2.405 1 1 1398 . 11 1 1 A 122 122 GLN CA C 128 54.218 54.460 -0.242 1 1 1399 . 11 1 1 A 122 122 GLN CB C 128 32.064 30.783 1.281 1 1 1401 . 11 1 1 A 122 122 GLN N N 128 121.022 126.398 -5.376 1 1 1403 . 11 1 1 A 123 123 PHE H H 129 8.620 9.160 -0.540 1 1 1404 . 11 1 1 A 123 123 PHE HA H 129 6.040 5.088 0.952 1 1 1411 . 11 1 1 A 123 123 PHE C C 129 174.530 174.327 0.203 1 1 1412 . 11 1 1 A 123 123 PHE CA C 129 56.026 58.276 -2.250 1 1 1413 . 11 1 1 A 123 123 PHE CB C 129 42.143 40.430 1.713 1 1 1414 . 11 1 1 A 123 123 PHE N N 129 125.540 126.354 -0.814 1 1 1415 . 11 1 1 A 124 124 ARG H H 130 8.018 8.517 -0.499 1 1 1416 . 11 1 1 A 124 124 ARG HA H 130 4.366 4.440 -0.074 1 1 1423 . 11 1 1 A 124 124 ARG C C 130 172.139 174.369 -2.230 1 1 1424 . 11 1 1 A 124 124 ARG CA C 130 53.422 53.430 -0.008 1 1 1425 . 11 1 1 A 124 124 ARG CB C 130 32.310 34.040 -1.730 1 1 1428 . 11 1 1 A 124 124 ARG N N 130 125.264 125.902 -0.638 1 1 1429 . 11 1 1 A 125 125 ILE H H 131 8.462 7.790 0.672 1 1 1430 . 11 1 1 A 125 125 ILE HA H 131 3.883 4.062 -0.179 1 1 1440 . 11 1 1 A 125 125 ILE C C 131 175.487 175.218 0.269 1 1 1441 . 11 1 1 A 125 125 ILE CA C 131 58.339 61.528 -3.189 1 1 1442 . 11 1 1 A 125 125 ILE CB C 131 35.673 39.050 -3.377 1 1 1446 . 11 1 1 A 125 125 ILE N N 131 121.887 123.626 -1.739 1 1 1447 . 11 1 1 A 126 126 GLY H H 132 8.814 7.962 0.852 1 1 1448 . 11 1 1 A 126 126 GLY HA2 H 132 4.062 4.292 -0.230 1 1 1449 . 11 1 1 A 126 126 GLY HA3 H 132 4.062 4.352 -0.290 1 1 1450 . 11 1 1 A 126 126 GLY C C 132 171.583 172.367 -0.784 1 1 1451 . 11 1 1 A 126 126 GLY CA C 132 44.157 44.160 -0.003 1 1 1452 . 11 1 1 A 126 126 GLY N N 132 115.675 114.826 0.849 1 1 1453 . 11 1 1 A 127 127 ASP H H 133 7.914 8.475 -0.561 1 1 1454 . 11 1 1 A 127 127 ASP HA H 133 4.584 4.809 -0.225 1 1 1457 . 11 1 1 A 127 127 ASP C C 133 174.132 175.780 -1.648 1 1 1458 . 11 1 1 A 127 127 ASP CA C 133 54.822 54.159 0.663 1 1 1459 . 11 1 1 A 127 127 ASP CB C 133 45.407 42.157 3.250 1 1 1460 . 11 1 1 A 127 127 ASP N N 133 123.737 119.938 3.799 1 1 1461 . 11 1 1 A 128 128 ILE H H 134 8.258 8.504 -0.246 1 1 1462 . 11 1 1 A 128 128 ILE HA H 134 4.392 4.623 -0.231 1 1 1472 . 11 1 1 A 128 128 ILE C C 134 174.799 174.607 0.192 1 1 1473 . 11 1 1 A 128 128 ILE CA C 134 61.596 60.150 1.446 1 1 1474 . 11 1 1 A 128 128 ILE CB C 134 37.549 39.366 -1.817 1 1 1478 . 11 1 1 A 128 128 ILE N N 134 119.105 121.941 -2.836 1 1 1479 . 11 1 1 A 129 129 ALA H H 135 8.607 8.587 0.020 1 1 1480 . 11 1 1 A 129 129 ALA HA H 135 4.757 4.909 -0.152 1 1 1484 . 11 1 1 A 129 129 ALA C C 135 173.358 177.329 -3.971 1 1 1485 . 11 1 1 A 129 129 ALA CA C 135 50.608 51.672 -1.064 1 1 1486 . 11 1 1 A 129 129 ALA CB C 135 23.348 20.198 3.150 1 1 1487 . 11 1 1 A 129 129 ALA N N 135 129.336 131.682 -2.346 1 1 1488 . 11 1 1 A 130 130 GLY H H 136 7.514 8.443 -0.929 1 1 1489 . 11 1 1 A 130 130 GLY HA2 H 136 3.551 4.210 -0.659 1 1 1490 . 11 1 1 A 130 130 GLY HA3 H 136 4.422 4.248 0.174 1 1 1491 . 11 1 1 A 130 130 GLY C C 136 172.609 172.105 0.504 1 1 1492 . 11 1 1 A 130 130 GLY CA C 136 44.315 45.374 -1.059 1 1 1493 . 11 1 1 A 130 130 GLY N N 136 101.232 108.049 -6.817 1 1 1494 . 11 1 1 A 131 131 GLU H H 137 8.225 8.159 0.066 1 1 1495 . 11 1 1 A 131 131 GLU HA H 137 4.540 4.560 -0.020 1 1 1500 . 11 1 1 A 131 131 GLU C C 137 174.864 175.596 -0.732 1 1 1501 . 11 1 1 A 131 131 GLU CA C 137 53.120 55.805 -2.685 1 1 1502 . 11 1 1 A 131 131 GLU CB C 137 28.254 29.952 -1.698 1 1 1504 . 11 1 1 A 131 131 GLU N N 137 121.002 120.118 0.884 1 1 1505 . 11 1 1 A 132 132 HIS H H 138 8.054 8.728 -0.674 1 1 1506 . 11 1 1 A 132 132 HIS HA H 138 4.771 4.398 0.373 1 1 1511 . 11 1 1 A 132 132 HIS C C 138 175.411 175.105 0.306 1 1 1512 . 11 1 1 A 132 132 HIS CA C 138 57.942 56.358 1.584 1 1 1513 . 11 1 1 A 132 132 HIS CB C 138 27.710 30.845 -3.135 1 1 1514 . 11 1 1 A 132 132 HIS N N 138 124.204 124.960 -0.756 1 1 1515 . 11 1 1 A 133 133 THR H H 139 9.056 8.041 1.015 1 1 1516 . 11 1 1 A 133 133 THR HA H 139 3.864 4.842 -0.978 1 1 1521 . 11 1 1 A 133 133 THR C C 139 174.178 173.221 0.957 1 1 1522 . 11 1 1 A 133 133 THR CA C 139 63.225 59.888 3.337 1 1 1523 . 11 1 1 A 133 133 THR CB C 139 68.127 72.034 -3.907 1 1 1525 . 11 1 1 A 133 133 THR N N 139 125.345 113.951 11.394 1 1 1526 . 11 1 1 A 134 134 SER H H 140 8.834 8.868 -0.034 1 1 1527 . 11 1 1 A 134 134 SER HA H 140 4.560 4.536 0.024 1 1 1530 . 11 1 1 A 134 134 SER C C 140 176.713 175.941 0.772 1 1 1531 . 11 1 1 A 134 134 SER CA C 140 57.961 59.135 -1.174 1 1 1532 . 11 1 1 A 134 134 SER CB C 140 63.030 63.639 -0.609 1 1 1533 . 11 1 1 A 134 134 SER N N 140 121.791 119.601 2.190 1 1 1534 . 11 1 1 A 135 135 PHE H H 141 9.597 8.837 0.760 1 1 1535 . 11 1 1 A 135 135 PHE HA H 141 3.953 4.283 -0.330 1 1 1542 . 11 1 1 A 135 135 PHE C C 141 175.375 176.783 -1.408 1 1 1543 . 11 1 1 A 135 135 PHE CA C 141 61.339 59.739 1.600 1 1 1544 . 11 1 1 A 135 135 PHE CB C 141 39.394 38.189 1.205 1 1 1545 . 11 1 1 A 135 135 PHE N N 141 128.822 122.417 6.405 1 1 1546 . 11 1 1 A 136 136 ASP H H 142 8.017 7.199 0.818 1 1 1547 . 11 1 1 A 136 136 ASP HA H 142 4.352 4.253 0.099 1 1 1550 . 11 1 1 A 136 136 ASP C C 142 175.358 176.729 -1.371 1 1 1551 . 11 1 1 A 136 136 ASP CA C 142 55.223 55.410 -0.187 1 1 1552 . 11 1 1 A 136 136 ASP CB C 142 40.968 39.683 1.285 1 1 1553 . 11 1 1 A 136 136 ASP N N 142 113.108 120.107 -6.999 1 1 1554 . 11 1 1 A 137 137 LYS H H 143 7.340 7.520 -0.180 1 1 1555 . 11 1 1 A 137 137 LYS HA H 143 4.439 4.479 -0.040 1 1 1564 . 11 1 1 A 137 137 LYS C C 143 175.571 175.504 0.067 1 1 1565 . 11 1 1 A 137 137 LYS CA C 143 54.096 55.396 -1.300 1 1 1566 . 11 1 1 A 137 137 LYS CB C 143 32.545 33.058 -0.513 1 1 1570 . 11 1 1 A 137 137 LYS N N 143 117.716 117.490 0.226 1 1 1571 . 11 1 1 A 138 138 LEU H H 144 6.698 6.966 -0.268 1 1 1572 . 11 1 1 A 138 138 LEU HA H 144 3.903 4.745 -0.842 1 1 1582 . 11 1 1 A 138 138 LEU C C 144 174.123 174.890 -0.767 1 1 1583 . 11 1 1 A 138 138 LEU CA C 144 52.843 51.856 0.987 1 1 1584 . 11 1 1 A 138 138 LEU CB C 144 40.993 44.355 -3.362 1 1 1588 . 11 1 1 A 138 138 LEU N N 144 120.536 121.093 -0.557 1 1 1589 . 11 1 1 A 139 139 PRO HA H 145 4.040 4.879 -0.839 1 1 1596 . 11 1 1 A 139 139 PRO C C 145 172.700 176.794 -4.094 1 1 1597 . 11 1 1 A 139 139 PRO CA C 145 62.654 62.472 0.182 1 1 1598 . 11 1 1 A 139 139 PRO CB C 145 30.086 33.462 -3.376 1 1 1601 . 11 1 1 A 140 140 GLU H H 146 8.343 9.054 -0.711 1 1 1602 . 11 1 1 A 140 140 GLU HA H 146 3.970 4.825 -0.855 1 1 1607 . 11 1 1 A 140 140 GLU C C 146 176.009 177.377 -1.368 1 1 1608 . 11 1 1 A 140 140 GLU CA C 146 56.119 56.586 -0.467 1 1 1609 . 11 1 1 A 140 140 GLU CB C 146 30.086 30.825 -0.739 1 1 1611 . 11 1 1 A 140 140 GLU N N 146 119.063 120.148 -1.085 1 1 1612 . 11 1 1 A 141 141 GLY H H 147 7.241 8.453 -1.212 1 1 1613 . 11 1 1 A 141 141 GLY HA2 H 147 3.918 3.696 0.222 1 1 1614 . 11 1 1 A 141 141 GLY HA3 H 147 3.814 3.698 0.116 1 1 1615 . 11 1 1 A 141 141 GLY C C 147 171.657 174.765 -3.108 1 1 1616 . 11 1 1 A 141 141 GLY CA C 147 43.929 47.127 -3.198 1 1 1617 . 11 1 1 A 141 141 GLY N N 147 104.270 109.718 -5.448 1 1 1618 . 11 1 1 A 142 142 GLY H H 148 8.241 7.682 0.559 1 1 1619 . 11 1 1 A 142 142 GLY HA2 H 148 3.710 4.130 -0.420 1 1 1620 . 11 1 1 A 142 142 GLY HA3 H 148 4.350 4.154 0.196 1 1 1621 . 11 1 1 A 142 142 GLY C C 148 171.767 172.098 -0.331 1 1 1622 . 11 1 1 A 142 142 GLY CA C 148 43.649 45.942 -2.293 1 1 1623 . 11 1 1 A 142 142 GLY N N 148 106.996 104.757 2.239 1 1 1624 . 11 1 1 A 143 143 ARG H H 149 8.214 8.610 -0.396 1 1 1625 . 11 1 1 A 143 143 ARG HA H 149 5.376 5.244 0.132 1 1 1632 . 11 1 1 A 143 143 ARG C C 149 174.981 173.728 1.253 1 1 1633 . 11 1 1 A 143 143 ARG CA C 149 54.235 53.820 0.415 1 1 1634 . 11 1 1 A 143 143 ARG CB C 149 32.988 34.210 -1.222 1 1 1637 . 11 1 1 A 143 143 ARG N N 149 117.762 120.324 -2.562 1 1 1638 . 11 1 1 A 144 144 ALA H H 150 9.030 8.592 0.438 1 1 1639 . 11 1 1 A 144 144 ALA HA H 150 4.730 4.997 -0.267 1 1 1643 . 11 1 1 A 144 144 ALA C C 150 175.012 175.797 -0.785 1 1 1644 . 11 1 1 A 144 144 ALA CA C 150 50.732 50.374 0.358 1 1 1645 . 11 1 1 A 144 144 ALA CB C 150 23.448 21.726 1.722 1 1 1646 . 11 1 1 A 144 144 ALA N N 150 126.630 121.905 4.725 1 1 1647 . 11 1 1 A 145 145 THR H H 151 8.560 8.444 0.116 1 1 1648 . 11 1 1 A 145 145 THR HA H 151 4.846 4.640 0.206 1 1 1653 . 11 1 1 A 145 145 THR C C 151 171.870 173.049 -1.179 1 1 1654 . 11 1 1 A 145 145 THR CA C 151 61.997 62.384 -0.387 1 1 1655 . 11 1 1 A 145 145 THR CB C 151 69.746 69.999 -0.253 1 1 1657 . 11 1 1 A 145 145 THR N N 151 117.942 118.608 -0.666 1 1 1658 . 11 1 1 A 146 146 TYR H H 152 10.008 9.089 0.919 1 1 1659 . 11 1 1 A 146 146 TYR HA H 152 4.580 5.267 -0.687 1 1 1666 . 11 1 1 A 146 146 TYR C C 152 174.627 174.508 0.119 1 1 1667 . 11 1 1 A 146 146 TYR CA C 152 55.835 56.165 -0.330 1 1 1668 . 11 1 1 A 146 146 TYR CB C 152 40.094 43.534 -3.440 1 1 1669 . 11 1 1 A 146 146 TYR N N 152 126.097 123.597 2.500 1 1 1670 . 11 1 1 A 147 147 ARG H H 153 8.860 8.872 -0.012 1 1 1671 . 11 1 1 A 147 147 ARG HA H 153 5.404 5.101 0.303 1 1 1678 . 11 1 1 A 147 147 ARG C C 153 177.446 174.953 2.493 1 1 1679 . 11 1 1 A 147 147 ARG CA C 153 54.024 55.335 -1.311 1 1 1680 . 11 1 1 A 147 147 ARG CB C 153 33.539 34.152 -0.613 1 1 1683 . 11 1 1 A 147 147 ARG N N 153 121.042 122.205 -1.163 1 1 1684 . 11 1 1 A 148 148 GLY H H 154 8.916 8.429 0.487 1 1 1685 . 11 1 1 A 148 148 GLY HA2 H 154 4.816 4.265 0.551 1 1 1686 . 11 1 1 A 148 148 GLY HA3 H 154 4.422 4.274 0.148 1 1 1687 . 11 1 1 A 148 148 GLY C C 154 173.831 171.764 2.067 1 1 1688 . 11 1 1 A 148 148 GLY CA C 154 46.752 45.332 1.420 1 1 1689 . 11 1 1 A 148 148 GLY N N 154 114.154 110.327 3.827 1 1 1690 . 11 1 1 A 149 149 THR H H 155 9.063 8.453 0.610 1 1 1691 . 11 1 1 A 149 149 THR HA H 155 4.711 4.650 0.061 1 1 1696 . 11 1 1 A 149 149 THR C C 155 170.370 174.423 -4.053 1 1 1697 . 11 1 1 A 149 149 THR CA C 155 62.316 62.838 -0.522 1 1 1698 . 11 1 1 A 149 149 THR CB C 155 72.596 69.794 2.802 1 1 1700 . 11 1 1 A 149 149 THR N N 155 126.410 115.910 10.500 1 1 1701 . 11 1 1 A 150 150 ALA H H 156 7.091 8.813 -1.722 1 1 1702 . 11 1 1 A 150 150 ALA HA H 156 5.289 5.572 -0.283 1 1 1706 . 11 1 1 A 150 150 ALA C C 156 173.965 176.646 -2.681 1 1 1707 . 11 1 1 A 150 150 ALA CA C 156 48.843 50.139 -1.296 1 1 1708 . 11 1 1 A 150 150 ALA CB C 156 22.573 21.901 0.672 1 1 1709 . 11 1 1 A 150 150 ALA N N 156 127.540 128.414 -0.874 1 1 1710 . 11 1 1 A 151 151 PHE H H 157 8.536 8.436 0.100 1 1 1711 . 11 1 1 A 151 151 PHE HA H 157 5.442 5.717 -0.275 1 1 1718 . 11 1 1 A 151 151 PHE C C 157 171.891 173.869 -1.978 1 1 1719 . 11 1 1 A 151 151 PHE CA C 157 53.282 55.268 -1.986 1 1 1720 . 11 1 1 A 151 151 PHE CB C 157 41.020 42.389 -1.369 1 1 1721 . 11 1 1 A 151 151 PHE N N 157 117.013 117.942 -0.929 1 1 1722 . 11 1 1 A 152 152 GLY H H 158 8.548 8.565 -0.017 1 1 1723 . 11 1 1 A 152 152 GLY HA2 H 158 4.003 4.366 -0.363 1 1 1724 . 11 1 1 A 152 152 GLY HA3 H 158 3.124 4.445 -1.321 1 1 1725 . 11 1 1 A 152 152 GLY C C 158 173.148 172.010 1.138 1 1 1726 . 11 1 1 A 152 152 GLY CA C 158 42.630 45.579 -2.949 1 1 1727 . 11 1 1 A 152 152 GLY N N 158 108.356 107.484 0.872 1 1 1728 . 11 1 1 A 153 153 SER H H 159 7.610 8.623 -1.013 1 1 1729 . 11 1 1 A 153 153 SER HA H 159 3.421 4.250 -0.829 1 1 1732 . 11 1 1 A 153 153 SER C C 159 176.057 173.802 2.255 1 1 1733 . 11 1 1 A 153 153 SER CA C 159 58.787 57.250 1.537 1 1 1734 . 11 1 1 A 153 153 SER CB C 159 61.886 61.576 0.310 1 1 1735 . 11 1 1 A 153 153 SER N N 159 115.173 115.023 0.150 1 1 1736 . 11 1 1 A 154 154 ASP H H 160 9.894 8.016 1.878 1 1 1737 . 11 1 1 A 154 154 ASP HA H 160 4.168 4.797 -0.629 1 1 1740 . 11 1 1 A 154 154 ASP C C 160 175.191 176.244 -1.053 1 1 1741 . 11 1 1 A 154 154 ASP CA C 160 55.398 54.894 0.504 1 1 1742 . 11 1 1 A 154 154 ASP CB C 160 39.212 41.849 -2.637 1 1 1743 . 11 1 1 A 154 154 ASP N N 160 124.828 122.231 2.597 1 1 1744 . 11 1 1 A 155 155 ASP H H 161 7.520 8.306 -0.786 1 1 1745 . 11 1 1 A 155 155 ASP HA H 161 4.568 4.922 -0.354 1 1 1748 . 11 1 1 A 155 155 ASP C C 161 172.658 175.943 -3.285 1 1 1749 . 11 1 1 A 155 155 ASP CA C 161 54.342 55.333 -0.991 1 1 1750 . 11 1 1 A 155 155 ASP CB C 161 40.619 43.856 -3.237 1 1 1751 . 11 1 1 A 155 155 ASP N N 161 116.749 118.261 -1.512 1 1 1752 . 11 1 1 A 156 156 ALA H H 162 8.544 7.735 0.809 1 1 1753 . 11 1 1 A 156 156 ALA HA H 162 4.916 4.169 0.747 1 1 1757 . 11 1 1 A 156 156 ALA C C 162 177.708 177.609 0.099 1 1 1758 . 11 1 1 A 156 156 ALA CA C 162 49.878 53.482 -3.604 1 1 1759 . 11 1 1 A 156 156 ALA CB C 162 17.473 17.670 -0.197 1 1 1760 . 11 1 1 A 156 156 ALA N N 162 128.246 120.337 7.909 1 1 1761 . 11 1 1 A 157 157 GLY H H 163 8.406 8.221 0.185 1 1 1762 . 11 1 1 A 157 157 GLY HA2 H 163 4.286 4.134 0.152 1 1 1763 . 11 1 1 A 157 157 GLY HA3 H 163 3.894 4.156 -0.262 1 1 1764 . 11 1 1 A 157 157 GLY C C 163 174.344 174.538 -0.194 1 1 1765 . 11 1 1 A 157 157 GLY CA C 163 45.049 45.743 -0.694 1 1 1766 . 11 1 1 A 157 157 GLY N N 163 106.545 104.044 2.501 1 1 1767 . 11 1 1 A 158 158 GLY H H 164 7.128 7.685 -0.557 1 1 1768 . 11 1 1 A 158 158 GLY HA2 H 164 4.118 4.087 0.031 1 1 1769 . 11 1 1 A 158 158 GLY HA3 H 164 3.641 4.104 -0.463 1 1 1770 . 11 1 1 A 158 158 GLY C C 164 173.903 172.818 1.085 1 1 1771 . 11 1 1 A 158 158 GLY CA C 164 45.225 44.869 0.356 1 1 1772 . 11 1 1 A 158 158 GLY N N 164 106.404 107.824 -1.420 1 1 1773 . 11 1 1 A 159 159 LYS H H 165 9.647 8.818 0.829 1 1 1774 . 11 1 1 A 159 159 LYS HA H 165 5.052 5.169 -0.117 1 1 1781 . 11 1 1 A 159 159 LYS C C 165 174.390 174.880 -0.490 1 1 1782 . 11 1 1 A 159 159 LYS CA C 165 53.501 54.315 -0.814 1 1 1783 . 11 1 1 A 159 159 LYS CB C 165 34.622 36.452 -1.830 1 1 1786 . 11 1 1 A 159 159 LYS N N 165 123.930 117.486 6.444 1 1 1787 . 11 1 1 A 160 160 LEU H H 166 7.706 9.104 -1.398 1 1 1788 . 11 1 1 A 160 160 LEU HA H 166 4.873 5.438 -0.565 1 1 1798 . 11 1 1 A 160 160 LEU C C 166 174.825 175.430 -0.605 1 1 1799 . 11 1 1 A 160 160 LEU CA C 166 52.677 52.826 -0.149 1 1 1800 . 11 1 1 A 160 160 LEU CB C 166 44.629 44.669 -0.040 1 1 1804 . 11 1 1 A 160 160 LEU N N 166 126.271 118.214 8.057 1 1 1805 . 11 1 1 A 161 161 THR H H 167 8.374 9.229 -0.855 1 1 1806 . 11 1 1 A 161 161 THR HA H 167 4.949 5.296 -0.347 1 1 1811 . 11 1 1 A 161 161 THR C C 167 172.102 173.056 -0.954 1 1 1812 . 11 1 1 A 161 161 THR CA C 167 61.761 61.422 0.339 1 1 1813 . 11 1 1 A 161 161 THR CB C 167 70.169 71.263 -1.094 1 1 1815 . 11 1 1 A 161 161 THR N N 167 122.977 115.300 7.677 1 1 1816 . 11 1 1 A 162 162 TYR H H 168 9.174 9.334 -0.160 1 1 1817 . 11 1 1 A 162 162 TYR HA H 168 4.766 5.408 -0.642 1 1 1824 . 11 1 1 A 162 162 TYR C C 168 172.249 173.548 -1.299 1 1 1825 . 11 1 1 A 162 162 TYR CA C 168 58.162 57.100 1.062 1 1 1826 . 11 1 1 A 162 162 TYR CB C 168 43.746 42.480 1.266 1 1 1827 . 11 1 1 A 162 162 TYR N N 168 128.112 127.174 0.938 1 1 1828 . 11 1 1 A 163 163 THR H H 169 8.711 8.197 0.514 1 1 1829 . 11 1 1 A 163 163 THR HA H 169 5.402 5.265 0.137 1 1 1834 . 11 1 1 A 163 163 THR C C 169 172.520 171.850 0.670 1 1 1835 . 11 1 1 A 163 163 THR CA C 169 60.804 60.090 0.714 1 1 1836 . 11 1 1 A 163 163 THR CB C 169 70.818 71.553 -0.735 1 1 1838 . 11 1 1 A 163 163 THR N N 169 124.549 119.698 4.851 1 1 1839 . 11 1 1 A 164 164 ILE H H 170 8.927 9.272 -0.345 1 1 1840 . 11 1 1 A 164 164 ILE HA H 170 4.313 4.972 -0.659 1 1 1850 . 11 1 1 A 164 164 ILE C C 170 173.105 174.058 -0.953 1 1 1851 . 11 1 1 A 164 164 ILE CA C 170 60.595 60.013 0.582 1 1 1852 . 11 1 1 A 164 164 ILE CB C 170 41.274 41.387 -0.113 1 1 1856 . 11 1 1 A 164 164 ILE N N 170 123.685 126.853 -3.168 1 1 1857 . 11 1 1 A 165 165 ASP H H 171 8.372 8.947 -0.575 1 1 1858 . 11 1 1 A 165 165 ASP HA H 171 4.750 4.871 -0.121 1 1 1861 . 11 1 1 A 165 165 ASP C C 171 177.213 176.310 0.903 1 1 1862 . 11 1 1 A 165 165 ASP CA C 171 51.669 53.190 -1.521 1 1 1863 . 11 1 1 A 165 165 ASP CB C 171 41.730 38.663 3.067 1 1 1864 . 11 1 1 A 165 165 ASP N N 171 125.168 129.218 -4.050 1 1 1865 . 11 1 1 A 166 166 PHE H H 172 8.968 8.096 0.872 1 1 1866 . 11 1 1 A 166 166 PHE HA H 172 3.879 4.177 -0.298 1 1 1874 . 11 1 1 A 166 166 PHE C C 172 176.940 177.950 -1.010 1 1 1875 . 11 1 1 A 166 166 PHE CA C 172 61.543 60.318 1.225 1 1 1876 . 11 1 1 A 166 166 PHE CB C 172 37.424 38.651 -1.227 1 1 1877 . 11 1 1 A 166 166 PHE N N 172 123.597 121.364 2.233 1 1 1878 . 11 1 1 A 167 167 ALA H H 173 8.266 8.401 -0.135 1 1 1879 . 11 1 1 A 167 167 ALA HA H 173 4.322 4.357 -0.035 1 1 1883 . 11 1 1 A 167 167 ALA C C 173 178.888 178.168 0.720 1 1 1884 . 11 1 1 A 167 167 ALA CA C 173 54.458 54.702 -0.244 1 1 1885 . 11 1 1 A 167 167 ALA CB C 173 17.591 18.240 -0.649 1 1 1886 . 11 1 1 A 167 167 ALA N N 173 122.113 120.968 1.145 1 1 1887 . 11 1 1 A 168 168 ALA H H 174 7.405 7.838 -0.433 1 1 1888 . 11 1 1 A 168 168 ALA HA H 174 4.096 4.413 -0.317 1 1 1892 . 11 1 1 A 168 168 ALA C C 174 176.605 176.757 -0.152 1 1 1893 . 11 1 1 A 168 168 ALA CA C 174 51.225 51.407 -0.182 1 1 1894 . 11 1 1 A 168 168 ALA CB C 174 18.307 20.269 -1.962 1 1 1895 . 11 1 1 A 168 168 ALA N N 174 118.760 119.651 -0.891 1 1 1896 . 11 1 1 A 169 169 LYS H H 175 7.906 7.972 -0.066 1 1 1897 . 11 1 1 A 169 169 LYS HA H 175 3.391 3.774 -0.383 1 1 1904 . 11 1 1 A 169 169 LYS C C 175 174.608 174.748 -0.140 1 1 1905 . 11 1 1 A 169 169 LYS CA C 175 57.049 57.230 -0.181 1 1 1906 . 11 1 1 A 169 169 LYS CB C 175 30.051 29.266 0.785 1 1 1909 . 11 1 1 A 169 169 LYS N N 175 114.394 115.152 -0.758 1 1 1910 . 11 1 1 A 170 170 GLN H H 176 7.629 7.568 0.061 1 1 1911 . 11 1 1 A 170 170 GLN HA H 176 5.414 5.174 0.240 1 1 1918 . 11 1 1 A 170 170 GLN C C 176 174.325 175.099 -0.774 1 1 1919 . 11 1 1 A 170 170 GLN CA C 176 54.393 53.896 0.497 1 1 1920 . 11 1 1 A 170 170 GLN CB C 176 34.771 31.850 2.921 1 1 1922 . 11 1 1 A 170 170 GLN N N 176 116.433 116.484 -0.051 1 1 1924 . 11 1 1 A 171 171 GLY H H 177 8.854 8.478 0.376 1 1 1925 . 11 1 1 A 171 171 GLY HA2 H 177 5.205 4.172 1.033 1 1 1926 . 11 1 1 A 171 171 GLY HA3 H 177 3.526 4.371 -0.845 1 1 1927 . 11 1 1 A 171 171 GLY C C 177 170.842 172.058 -1.216 1 1 1928 . 11 1 1 A 171 171 GLY CA C 177 44.621 45.358 -0.737 1 1 1929 . 11 1 1 A 171 171 GLY N N 177 110.189 108.472 1.717 1 1 1930 . 11 1 1 A 172 172 ASN H H 178 7.637 8.690 -1.053 1 1 1931 . 11 1 1 A 172 172 ASN HA H 178 4.224 5.590 -1.366 1 1 1936 . 11 1 1 A 172 172 ASN C C 178 171.546 174.287 -2.741 1 1 1937 . 11 1 1 A 172 172 ASN CA C 178 53.729 50.800 2.929 1 1 1938 . 11 1 1 A 172 172 ASN CB C 178 41.543 41.566 -0.023 1 1 1939 . 11 1 1 A 172 172 ASN N N 178 112.667 123.797 -11.130 1 1 1941 . 11 1 1 A 173 173 GLY H H 179 9.103 8.395 0.708 1 1 1942 . 11 1 1 A 173 173 GLY HA2 H 179 4.491 4.389 0.102 1 1 1943 . 11 1 1 A 173 173 GLY HA3 H 179 4.084 4.508 -0.424 1 1 1944 . 11 1 1 A 173 173 GLY C C 179 172.400 171.996 0.404 1 1 1945 . 11 1 1 A 173 173 GLY CA C 179 47.199 46.191 1.008 1 1 1946 . 11 1 1 A 173 173 GLY N N 179 106.686 109.067 -2.381 1 1 1947 . 11 1 1 A 174 174 LYS H H 180 9.179 8.624 0.555 1 1 1948 . 11 1 1 A 174 174 LYS HA H 180 4.821 5.098 -0.277 1 1 1957 . 11 1 1 A 174 174 LYS C C 180 172.518 173.893 -1.375 1 1 1958 . 11 1 1 A 174 174 LYS CA C 180 56.617 54.790 1.827 1 1 1959 . 11 1 1 A 174 174 LYS CB C 180 35.373 36.458 -1.085 1 1 1963 . 11 1 1 A 174 174 LYS N N 180 121.816 116.976 4.840 1 1 1964 . 11 1 1 A 175 175 ILE H H 181 8.351 8.888 -0.537 1 1 1965 . 11 1 1 A 175 175 ILE HA H 181 4.581 5.087 -0.506 1 1 1973 . 11 1 1 A 175 175 ILE C C 181 173.997 174.880 -0.883 1 1 1974 . 11 1 1 A 175 175 ILE CA C 181 60.490 59.709 0.781 1 1 1975 . 11 1 1 A 175 175 ILE CB C 181 39.573 40.008 -0.435 1 1 1978 . 11 1 1 A 175 175 ILE N N 181 123.400 122.670 0.730 1 1 1979 . 11 1 1 A 176 176 GLU H H 182 8.492 9.014 -0.522 1 1 1980 . 11 1 1 A 176 176 GLU HA H 182 4.471 4.598 -0.127 1 1 1985 . 11 1 1 A 176 176 GLU C C 182 175.392 175.592 -0.200 1 1 1986 . 11 1 1 A 176 176 GLU CA C 182 53.410 55.908 -2.498 1 1 1987 . 11 1 1 A 176 176 GLU CB C 182 35.479 33.131 2.348 1 1 1989 . 11 1 1 A 176 176 GLU N N 182 122.287 125.656 -3.369 1 1 1990 . 11 1 1 A 177 177 HIS H H 183 8.431 8.884 -0.453 1 1 1991 . 11 1 1 A 177 177 HIS HA H 183 3.975 4.229 -0.254 1 1 1996 . 11 1 1 A 177 177 HIS C C 183 176.008 174.734 1.274 1 1 1997 . 11 1 1 A 177 177 HIS CA C 183 57.533 57.260 0.273 1 1 1998 . 11 1 1 A 177 177 HIS CB C 183 27.362 29.176 -1.814 1 1 1999 . 11 1 1 A 177 177 HIS N N 183 109.605 122.796 -13.191 1 1 2000 . 11 1 1 A 178 178 LEU H H 184 9.603 7.818 1.785 1 1 2001 . 11 1 1 A 178 178 LEU HA H 184 4.276 4.339 -0.063 1 1 2011 . 11 1 1 A 178 178 LEU C C 184 178.805 178.299 0.506 1 1 2012 . 11 1 1 A 178 178 LEU CA C 184 56.034 54.345 1.689 1 1 2013 . 11 1 1 A 178 178 LEU CB C 184 39.882 42.077 -2.195 1 1 2017 . 11 1 1 A 178 178 LEU N N 184 124.374 121.243 3.131 1 1 2018 . 11 1 1 A 179 179 LYS H H 185 10.002 9.103 0.899 1 1 2019 . 11 1 1 A 179 179 LYS HA H 185 3.682 4.116 -0.434 1 1 2028 . 11 1 1 A 179 179 LYS C C 185 177.660 176.510 1.150 1 1 2029 . 11 1 1 A 179 179 LYS CA C 185 57.721 58.862 -1.141 1 1 2030 . 11 1 1 A 179 179 LYS CB C 185 31.949 32.115 -0.166 1 1 2034 . 11 1 1 A 179 179 LYS N N 185 122.880 120.933 1.947 1 1 2035 . 11 1 1 A 180 180 SER H H 186 7.262 7.999 -0.737 1 1 2036 . 11 1 1 A 180 180 SER HA H 186 4.672 4.958 -0.286 1 1 2039 . 11 1 1 A 180 180 SER C C 186 173.086 174.114 -1.028 1 1 2040 . 11 1 1 A 180 180 SER CA C 186 54.576 55.640 -1.064 1 1 2041 . 11 1 1 A 180 180 SER CB C 186 62.715 65.480 -2.765 1 1 2042 . 11 1 1 A 180 180 SER N N 186 115.187 115.397 -0.210 1 1 2043 . 11 1 1 A 181 181 PRO HA H 187 3.956 4.489 -0.533 1 1 2050 . 11 1 1 A 181 181 PRO CA C 187 65.359 65.097 0.262 1 1 2051 . 11 1 1 A 181 181 PRO CB C 187 32.061 32.009 0.052 1 1 2054 . 11 1 1 A 182 182 GLU H H 188 8.076 9.265 -1.189 1 1 2055 . 11 1 1 A 182 182 GLU HA H 188 3.011 4.189 -1.178 1 1 2060 . 11 1 1 A 182 182 GLU C C 188 173.944 177.211 -3.267 1 1 2061 . 11 1 1 A 182 182 GLU CA C 188 56.597 57.975 -1.378 1 1 2062 . 11 1 1 A 182 182 GLU CB C 188 29.581 28.257 1.324 1 1 2064 . 11 1 1 A 182 182 GLU N N 188 113.034 116.970 -3.936 1 1 2065 . 11 1 1 A 183 183 LEU H H 189 7.126 7.372 -0.246 1 1 2066 . 11 1 1 A 183 183 LEU HA H 189 3.970 4.504 -0.534 1 1 2076 . 11 1 1 A 183 183 LEU C C 189 175.597 176.917 -1.320 1 1 2077 . 11 1 1 A 183 183 LEU CA C 189 53.849 54.437 -0.588 1 1 2078 . 11 1 1 A 183 183 LEU CB C 189 41.152 42.281 -1.129 1 1 2082 . 11 1 1 A 183 183 LEU N N 189 112.896 118.771 -5.875 1 1 2083 . 11 1 1 A 184 184 ASN H H 190 6.952 8.000 -1.048 1 1 2084 . 11 1 1 A 184 184 ASN HA H 190 4.596 4.593 0.003 1 1 2089 . 11 1 1 A 184 184 ASN C C 190 175.694 175.158 0.536 1 1 2090 . 11 1 1 A 184 184 ASN CA C 190 53.200 53.502 -0.302 1 1 2091 . 11 1 1 A 184 184 ASN CB C 190 36.466 39.091 -2.625 1 1 2092 . 11 1 1 A 184 184 ASN N N 190 117.865 117.550 0.315 1 1 2094 . 11 1 1 A 185 185 VAL H H 191 7.178 8.674 -1.496 1 1 2095 . 11 1 1 A 185 185 VAL HA H 191 4.480 4.798 -0.318 1 1 2103 . 11 1 1 A 185 185 VAL C C 191 174.874 173.490 1.384 1 1 2104 . 11 1 1 A 185 185 VAL CA C 191 59.753 58.693 1.060 1 1 2105 . 11 1 1 A 185 185 VAL CB C 191 33.035 35.696 -2.661 1 1 2108 . 11 1 1 A 185 185 VAL N N 191 113.276 117.126 -3.850 1 1 2109 . 11 1 1 A 186 186 ASP H H 192 8.827 8.667 0.160 1 1 2110 . 11 1 1 A 186 186 ASP HA H 192 4.779 5.162 -0.383 1 1 2113 . 11 1 1 A 186 186 ASP C C 192 174.919 174.215 0.704 1 1 2114 . 11 1 1 A 186 186 ASP CA C 192 54.058 53.046 1.012 1 1 2115 . 11 1 1 A 186 186 ASP CB C 192 41.635 43.187 -1.552 1 1 2116 . 11 1 1 A 186 186 ASP N N 192 118.111 121.766 -3.655 1 1 2117 . 11 1 1 A 187 187 LEU H H 193 8.375 8.285 0.090 1 1 2118 . 11 1 1 A 187 187 LEU HA H 193 4.146 4.718 -0.572 1 1 2127 . 11 1 1 A 187 187 LEU CA C 193 52.331 53.809 -1.478 1 1 2128 . 11 1 1 A 187 187 LEU CB C 193 38.187 44.394 -6.207 1 1 2131 . 11 1 1 A 187 187 LEU N N 193 123.130 126.200 -3.070 1 1 2132 . 11 1 1 A 188 188 ALA H H 194 8.225 8.398 -0.173 1 1 2133 . 11 1 1 A 188 188 ALA HA H 194 4.098 4.474 -0.376 1 1 2137 . 11 1 1 A 188 188 ALA C C 194 176.239 177.096 -0.857 1 1 2138 . 11 1 1 A 188 188 ALA CA C 194 52.498 52.057 0.441 1 1 2139 . 11 1 1 A 188 188 ALA CB C 194 20.030 18.951 1.079 1 1 2140 . 11 1 1 A 188 188 ALA N N 194 126.289 127.967 -1.678 1 1 2141 . 11 1 1 A 189 189 ALA H H 195 8.275 8.315 -0.040 1 1 2142 . 11 1 1 A 189 189 ALA HA H 195 4.862 4.321 0.541 1 1 2146 . 11 1 1 A 189 189 ALA C C 195 178.131 178.052 0.079 1 1 2147 . 11 1 1 A 189 189 ALA CA C 195 51.822 53.286 -1.464 1 1 2148 . 11 1 1 A 189 189 ALA CB C 195 17.367 19.136 -1.769 1 1 2149 . 11 1 1 A 189 189 ALA N N 195 122.010 126.265 -4.255 1 1 2150 . 11 1 1 A 190 190 ALA H H 196 8.823 9.011 -0.188 1 1 2151 . 11 1 1 A 190 190 ALA HA H 196 4.634 4.998 -0.364 1 1 2155 . 11 1 1 A 190 190 ALA C C 196 175.141 175.400 -0.259 1 1 2156 . 11 1 1 A 190 190 ALA CA C 196 50.420 51.054 -0.634 1 1 2157 . 11 1 1 A 190 190 ALA CB C 196 23.461 24.512 -1.051 1 1 2158 . 11 1 1 A 190 190 ALA N N 196 126.018 125.465 0.553 1 1 2159 . 11 1 1 A 191 191 ASP H H 197 8.365 8.792 -0.427 1 1 2160 . 11 1 1 A 191 191 ASP HA H 197 5.160 5.335 -0.175 1 1 2163 . 11 1 1 A 191 191 ASP C C 197 176.028 175.497 0.531 1 1 2164 . 11 1 1 A 191 191 ASP CA C 197 54.034 52.113 1.921 1 1 2165 . 11 1 1 A 191 191 ASP CB C 197 41.691 44.144 -2.453 1 1 2166 . 11 1 1 A 191 191 ASP N N 197 118.646 117.316 1.330 1 1 2167 . 11 1 1 A 192 192 ILE H H 198 7.915 8.544 -0.629 1 1 2168 . 11 1 1 A 192 192 ILE HA H 198 4.315 4.137 0.178 1 1 2178 . 11 1 1 A 192 192 ILE C C 198 174.684 175.713 -1.029 1 1 2179 . 11 1 1 A 192 192 ILE CA C 198 60.951 61.583 -0.632 1 1 2180 . 11 1 1 A 192 192 ILE CB C 198 41.989 37.998 3.991 1 1 2184 . 11 1 1 A 192 192 ILE N N 198 119.664 120.260 -0.596 1 1 2185 . 11 1 1 A 193 193 LYS H H 199 9.175 8.664 0.511 1 1 2186 . 11 1 1 A 193 193 LYS HA H 199 4.530 4.643 -0.113 1 1 2195 . 11 1 1 A 193 193 LYS C C 199 172.639 175.117 -2.478 1 1 2196 . 11 1 1 A 193 193 LYS CA C 199 53.361 53.283 0.078 1 1 2197 . 11 1 1 A 193 193 LYS CB C 199 34.758 32.647 2.111 1 1 2201 . 11 1 1 A 193 193 LYS N N 199 127.122 127.004 0.118 1 1 2202 . 11 1 1 A 195 195 ASP H H 201 8.390 8.513 -0.123 1 1 2203 . 11 1 1 A 195 195 ASP HA H 201 4.550 5.019 -0.469 1 1 2206 . 11 1 1 A 195 195 ASP C C 201 179.300 175.067 4.233 1 1 2207 . 11 1 1 A 195 195 ASP CA C 201 51.354 52.944 -1.590 1 1 2208 . 11 1 1 A 195 195 ASP CB C 201 40.324 44.381 -4.057 1 1 2209 . 11 1 1 A 195 195 ASP N N 201 123.239 123.409 -0.170 1 1 2210 . 11 1 1 A 196 196 GLY HA2 H 202 3.718 3.580 0.138 1 1 2211 . 11 1 1 A 196 196 GLY HA3 H 202 3.437 3.831 -0.394 1 1 2212 . 11 1 1 A 196 196 GLY CA C 202 46.527 44.389 2.138 1 1 2213 . 11 1 1 A 197 197 LYS H H 203 7.740 8.220 -0.480 1 1 2214 . 11 1 1 A 197 197 LYS HA H 203 4.118 4.546 -0.428 1 1 2221 . 11 1 1 A 197 197 LYS C C 203 174.941 176.312 -1.371 1 1 2222 . 11 1 1 A 197 197 LYS CA C 203 55.054 56.187 -1.133 1 1 2223 . 11 1 1 A 197 197 LYS CB C 203 31.192 33.625 -2.433 1 1 2226 . 11 1 1 A 197 197 LYS N N 203 120.305 118.874 1.431 1 1 2227 . 11 1 1 A 198 198 ARG H H 204 8.059 7.666 0.393 1 1 2228 . 11 1 1 A 198 198 ARG HA H 204 3.441 4.569 -1.128 1 1 2235 . 11 1 1 A 198 198 ARG C C 204 175.152 175.298 -0.146 1 1 2236 . 11 1 1 A 198 198 ARG CA C 204 56.911 55.703 1.208 1 1 2237 . 11 1 1 A 198 198 ARG CB C 204 26.584 32.592 -6.008 1 1 2240 . 11 1 1 A 198 198 ARG N N 204 111.796 118.302 -6.506 1 1 2241 . 11 1 1 A 199 199 HIS H H 205 8.531 7.411 1.120 1 1 2242 . 11 1 1 A 199 199 HIS HA H 205 4.812 4.890 -0.078 1 1 2247 . 11 1 1 A 199 199 HIS C C 205 174.866 172.883 1.983 1 1 2248 . 11 1 1 A 199 199 HIS CA C 205 53.700 54.560 -0.860 1 1 2249 . 11 1 1 A 199 199 HIS CB C 205 27.838 31.159 -3.321 1 1 2250 . 11 1 1 A 199 199 HIS N N 205 120.255 114.813 5.442 1 1 2251 . 11 1 1 A 200 200 ALA H H 206 8.492 8.819 -0.327 1 1 2252 . 11 1 1 A 200 200 ALA HA H 206 4.615 5.217 -0.602 1 1 2256 . 11 1 1 A 200 200 ALA C C 206 175.840 176.312 -0.472 1 1 2257 . 11 1 1 A 200 200 ALA CA C 206 52.247 50.545 1.702 1 1 2258 . 11 1 1 A 200 200 ALA CB C 206 19.838 22.567 -2.729 1 1 2259 . 11 1 1 A 200 200 ALA N N 206 123.237 121.590 1.647 1 1 2260 . 11 1 1 A 201 201 VAL H H 207 9.174 8.217 0.957 1 1 2261 . 11 1 1 A 201 201 VAL HA H 207 4.976 4.260 0.716 1 1 2269 . 11 1 1 A 201 201 VAL C C 207 173.390 175.626 -2.236 1 1 2270 . 11 1 1 A 201 201 VAL CA C 207 60.775 62.877 -2.102 1 1 2271 . 11 1 1 A 201 201 VAL CB C 207 35.488 32.356 3.132 1 1 2274 . 11 1 1 A 201 201 VAL N N 207 123.250 122.327 0.923 1 1 2275 . 11 1 1 A 202 202 ILE H H 208 8.887 8.437 0.450 1 1 2276 . 11 1 1 A 202 202 ILE HA H 208 4.312 4.630 -0.318 1 1 2286 . 11 1 1 A 202 202 ILE C C 208 174.670 174.556 0.114 1 1 2287 . 11 1 1 A 202 202 ILE CA C 208 60.815 60.252 0.563 1 1 2288 . 11 1 1 A 202 202 ILE CB C 208 41.576 39.126 2.450 1 1 2292 . 11 1 1 A 202 202 ILE N N 208 122.699 128.533 -5.834 1 1 2293 . 11 1 1 A 203 203 SER H H 209 8.416 8.962 -0.546 1 1 2294 . 11 1 1 A 203 203 SER HA H 209 4.913 4.702 0.211 1 1 2297 . 11 1 1 A 203 203 SER C C 209 172.984 173.190 -0.206 1 1 2298 . 11 1 1 A 203 203 SER CA C 209 55.676 56.608 -0.932 1 1 2299 . 11 1 1 A 203 203 SER CB C 209 64.355 64.195 0.160 1 1 2300 . 11 1 1 A 203 203 SER N N 209 122.067 123.652 -1.585 1 1 2301 . 11 1 1 A 204 204 GLY H H 210 7.292 8.219 -0.927 1 1 2302 . 11 1 1 A 204 204 GLY HA2 H 210 4.432 4.004 0.428 1 1 2303 . 11 1 1 A 204 204 GLY HA3 H 210 3.352 4.231 -0.879 1 1 2304 . 11 1 1 A 204 204 GLY C C 210 172.482 172.665 -0.183 1 1 2305 . 11 1 1 A 204 204 GLY CA C 210 45.167 44.644 0.523 1 1 2306 . 11 1 1 A 204 204 GLY N N 210 110.488 113.938 -3.450 1 1 2307 . 11 1 1 A 205 205 SER H H 211 8.652 8.954 -0.302 1 1 2308 . 11 1 1 A 205 205 SER HA H 211 5.027 5.557 -0.530 1 1 2311 . 11 1 1 A 205 205 SER C C 211 172.852 173.486 -0.634 1 1 2312 . 11 1 1 A 205 205 SER CA C 211 58.806 57.573 1.233 1 1 2313 . 11 1 1 A 205 205 SER CB C 211 64.384 66.297 -1.913 1 1 2314 . 11 1 1 A 205 205 SER N N 211 116.497 116.781 -0.284 1 1 2315 . 11 1 1 A 206 206 VAL H H 212 7.400 9.141 -1.741 1 1 2316 . 11 1 1 A 206 206 VAL HA H 212 5.032 4.611 0.421 1 1 2324 . 11 1 1 A 206 206 VAL C C 212 174.500 175.606 -1.106 1 1 2325 . 11 1 1 A 206 206 VAL CA C 212 58.764 61.430 -2.666 1 1 2326 . 11 1 1 A 206 206 VAL CB C 212 30.512 33.221 -2.709 1 1 2329 . 11 1 1 A 206 206 VAL N N 212 117.101 124.700 -7.599 1 1 2330 . 11 1 1 A 207 207 LEU H H 213 8.961 8.964 -0.003 1 1 2331 . 11 1 1 A 207 207 LEU HA H 213 5.312 4.531 0.781 1 1 2341 . 11 1 1 A 207 207 LEU C C 213 175.520 175.669 -0.149 1 1 2342 . 11 1 1 A 207 207 LEU CA C 213 52.630 54.662 -2.032 1 1 2343 . 11 1 1 A 207 207 LEU CB C 213 45.567 43.094 2.473 1 1 2347 . 11 1 1 A 207 207 LEU N N 213 124.185 128.969 -4.784 1 1 2348 . 11 1 1 A 208 208 TYR H H 214 8.836 8.844 -0.008 1 1 2349 . 11 1 1 A 208 208 TYR HA H 214 4.766 4.798 -0.032 1 1 2356 . 11 1 1 A 208 208 TYR C C 214 175.964 175.413 0.551 1 1 2357 . 11 1 1 A 208 208 TYR CA C 214 56.943 57.971 -1.028 1 1 2358 . 11 1 1 A 208 208 TYR CB C 214 41.736 41.033 0.703 1 1 2359 . 11 1 1 A 208 208 TYR N N 214 120.202 120.391 -0.189 1 1 2360 . 11 1 1 A 209 209 ASN H H 215 9.292 9.320 -0.028 1 1 2361 . 11 1 1 A 209 209 ASN HA H 215 4.001 4.379 -0.378 1 1 2366 . 11 1 1 A 209 209 ASN C C 215 174.336 174.347 -0.011 1 1 2367 . 11 1 1 A 209 209 ASN CA C 215 53.923 54.208 -0.285 1 1 2368 . 11 1 1 A 209 209 ASN CB C 215 36.468 37.211 -0.743 1 1 2369 . 11 1 1 A 209 209 ASN N N 215 129.805 124.604 5.201 1 1 2371 . 11 1 1 A 210 210 GLN H H 216 8.614 8.442 0.172 1 1 2372 . 11 1 1 A 210 210 GLN HA H 216 3.453 3.956 -0.503 1 1 2379 . 11 1 1 A 210 210 GLN C C 216 173.521 175.423 -1.902 1 1 2380 . 11 1 1 A 210 210 GLN CA C 216 57.881 57.113 0.768 1 1 2381 . 11 1 1 A 210 210 GLN CB C 216 26.089 26.159 -0.070 1 1 2383 . 11 1 1 A 210 210 GLN N N 216 106.396 110.462 -4.066 1 1 2385 . 11 1 1 A 211 211 ALA H H 217 7.657 7.911 -0.254 1 1 2386 . 11 1 1 A 211 211 ALA HA H 217 4.608 4.538 0.070 1 1 2390 . 11 1 1 A 211 211 ALA C C 217 176.432 176.563 -0.131 1 1 2391 . 11 1 1 A 211 211 ALA CA C 217 50.786 51.387 -0.601 1 1 2392 . 11 1 1 A 211 211 ALA CB C 217 20.499 20.069 0.430 1 1 2393 . 11 1 1 A 211 211 ALA N N 217 123.338 119.107 4.231 1 1 2394 . 11 1 1 A 212 212 GLU H H 218 8.712 7.641 1.071 1 1 2395 . 11 1 1 A 212 212 GLU HA H 218 4.525 4.820 -0.295 1 1 2400 . 11 1 1 A 212 212 GLU C C 218 177.924 174.094 3.830 1 1 2401 . 11 1 1 A 212 212 GLU CA C 218 57.550 55.672 1.878 1 1 2402 . 11 1 1 A 212 212 GLU CB C 218 28.811 33.369 -4.558 1 1 2404 . 11 1 1 A 212 212 GLU N N 218 122.631 118.234 4.397 1 1 2405 . 11 1 1 A 213 213 LYS H H 219 8.835 8.785 0.050 1 1 2406 . 11 1 1 A 213 213 LYS HA H 219 4.612 4.729 -0.117 1 1 2415 . 11 1 1 A 213 213 LYS C C 219 173.786 177.044 -3.258 1 1 2416 . 11 1 1 A 213 213 LYS CA C 219 53.115 55.451 -2.336 1 1 2417 . 11 1 1 A 213 213 LYS CB C 219 34.180 32.383 1.797 1 1 2421 . 11 1 1 A 213 213 LYS N N 219 126.870 120.495 6.375 1 1 2422 . 11 1 1 A 214 214 GLY H H 220 7.929 8.387 -0.458 1 1 2423 . 11 1 1 A 214 214 GLY HA2 H 220 5.469 4.094 1.375 1 1 2424 . 11 1 1 A 214 214 GLY HA3 H 220 3.719 4.123 -0.404 1 1 2425 . 11 1 1 A 214 214 GLY C C 220 173.926 172.442 1.484 1 1 2426 . 11 1 1 A 214 214 GLY CA C 220 44.536 44.209 0.327 1 1 2427 . 11 1 1 A 214 214 GLY N N 220 107.019 109.969 -2.950 1 1 2428 . 11 1 1 A 215 215 SER H H 221 8.678 8.647 0.031 1 1 2429 . 11 1 1 A 215 215 SER HA H 221 5.460 5.639 -0.179 1 1 2432 . 11 1 1 A 215 215 SER C C 221 171.043 172.467 -1.424 1 1 2433 . 11 1 1 A 215 215 SER CA C 221 56.810 56.789 0.021 1 1 2434 . 11 1 1 A 215 215 SER CB C 221 66.671 65.502 1.169 1 1 2435 . 11 1 1 A 215 215 SER N N 221 117.334 114.304 3.030 1 1 2436 . 11 1 1 A 216 216 TYR H H 222 8.958 9.040 -0.082 1 1 2437 . 11 1 1 A 216 216 TYR HA H 222 5.389 5.742 -0.353 1 1 2445 . 11 1 1 A 216 216 TYR C C 222 172.789 174.232 -1.443 1 1 2446 . 11 1 1 A 216 216 TYR CA C 222 55.819 55.483 0.336 1 1 2447 . 11 1 1 A 216 216 TYR CB C 222 41.681 42.548 -0.867 1 1 2448 . 11 1 1 A 216 216 TYR N N 222 117.645 121.620 -3.975 1 1 2449 . 11 1 1 A 217 217 SER H H 223 8.837 8.851 -0.014 1 1 2450 . 11 1 1 A 217 217 SER HA H 223 5.165 5.401 -0.236 1 1 2453 . 11 1 1 A 217 217 SER C C 223 173.125 173.132 -0.007 1 1 2454 . 11 1 1 A 217 217 SER CA C 223 56.600 57.491 -0.891 1 1 2455 . 11 1 1 A 217 217 SER CB C 223 64.500 65.617 -1.117 1 1 2456 . 11 1 1 A 217 217 SER N N 223 115.593 116.520 -0.927 1 1 2457 . 11 1 1 A 218 218 LEU H H 224 9.299 8.512 0.787 1 1 2458 . 11 1 1 A 218 218 LEU HA H 224 4.748 5.195 -0.447 1 1 2468 . 11 1 1 A 218 218 LEU C C 224 175.567 176.073 -0.506 1 1 2469 . 11 1 1 A 218 218 LEU CA C 224 53.138 53.294 -0.156 1 1 2470 . 11 1 1 A 218 218 LEU CB C 224 46.255 46.230 0.025 1 1 2474 . 11 1 1 A 218 218 LEU N N 224 123.523 126.771 -3.248 1 1 2475 . 11 1 1 A 219 219 GLY H H 225 9.041 9.108 -0.067 1 1 2476 . 11 1 1 A 219 219 GLY HA2 H 225 4.620 4.375 0.245 1 1 2477 . 11 1 1 A 219 219 GLY HA3 H 225 3.413 4.378 -0.965 1 1 2478 . 11 1 1 A 219 219 GLY C C 225 171.514 172.117 -0.603 1 1 2479 . 11 1 1 A 219 219 GLY CA C 225 43.777 43.821 -0.044 1 1 2480 . 11 1 1 A 219 219 GLY N N 225 108.999 109.510 -0.511 1 1 2481 . 11 1 1 A 220 220 ILE H H 226 6.853 8.656 -1.803 1 1 2482 . 11 1 1 A 220 220 ILE HA H 226 4.615 4.586 0.029 1 1 2492 . 11 1 1 A 220 220 ILE C C 226 174.750 175.469 -0.719 1 1 2493 . 11 1 1 A 220 220 ILE CA C 226 60.421 61.528 -1.107 1 1 2494 . 11 1 1 A 220 220 ILE CB C 226 38.213 38.177 0.036 1 1 2498 . 11 1 1 A 220 220 ILE N N 226 120.223 122.083 -1.860 1 1 2499 . 11 1 1 A 221 221 PHE H H 227 9.392 8.943 0.449 1 1 2500 . 11 1 1 A 221 221 PHE HA H 227 4.770 5.260 -0.490 1 1 2507 . 11 1 1 A 221 221 PHE C C 227 175.093 175.154 -0.061 1 1 2508 . 11 1 1 A 221 221 PHE CA C 227 58.053 56.443 1.610 1 1 2509 . 11 1 1 A 221 221 PHE CB C 227 42.505 42.253 0.252 1 1 2510 . 11 1 1 A 221 221 PHE N N 227 128.229 125.551 2.678 1 1 2511 . 11 1 1 A 222 222 GLY H H 228 8.675 9.015 -0.340 1 1 2512 . 11 1 1 A 222 222 GLY HA2 H 228 3.174 4.099 -0.925 1 1 2513 . 11 1 1 A 222 222 GLY HA3 H 228 4.311 4.122 0.189 1 1 2514 . 11 1 1 A 222 222 GLY CA C 228 42.438 44.641 -2.203 1 1 2515 . 11 1 1 A 222 222 GLY N N 228 104.634 110.546 -5.912 1 1 2516 . 11 1 1 A 223 223 GLY CA C 229 46.870 46.654 0.216 1 1 2517 . 11 1 1 A 224 224 LYS H H 230 8.366 7.754 0.612 1 1 2518 . 11 1 1 A 224 224 LYS HA H 230 4.305 4.596 -0.291 1 1 2523 . 11 1 1 A 224 224 LYS C C 230 174.717 175.750 -1.033 1 1 2524 . 11 1 1 A 224 224 LYS CA C 230 54.119 54.875 -0.756 1 1 2525 . 11 1 1 A 224 224 LYS CB C 230 30.821 33.163 -2.342 1 1 2527 . 11 1 1 A 224 224 LYS N N 230 118.720 118.369 0.351 1 1 2528 . 11 1 1 A 225 225 ALA H H 231 7.633 8.052 -0.419 1 1 2529 . 11 1 1 A 225 225 ALA HA H 231 3.810 4.377 -0.567 1 1 2533 . 11 1 1 A 225 225 ALA C C 231 176.702 177.545 -0.843 1 1 2534 . 11 1 1 A 225 225 ALA CA C 231 51.868 52.896 -1.028 1 1 2535 . 11 1 1 A 225 225 ALA CB C 231 16.117 17.954 -1.837 1 1 2536 . 11 1 1 A 225 225 ALA N N 231 118.077 120.154 -2.077 1 1 2537 . 11 1 1 A 226 226 GLN H H 232 9.387 8.685 0.702 1 1 2538 . 11 1 1 A 226 226 GLN HA H 232 3.877 4.692 -0.815 1 1 2543 . 11 1 1 A 226 226 GLN C C 232 175.992 175.511 0.481 1 1 2544 . 11 1 1 A 226 226 GLN CA C 232 60.989 56.815 4.174 1 1 2545 . 11 1 1 A 226 226 GLN CB C 232 28.695 31.302 -2.607 1 1 2547 . 11 1 1 A 226 226 GLN N N 232 117.991 124.252 -6.261 1 1 2548 . 11 1 1 A 227 227 GLU H H 233 8.825 7.858 0.967 1 1 2549 . 11 1 1 A 227 227 GLU HA H 233 5.411 4.790 0.621 1 1 2554 . 11 1 1 A 227 227 GLU C C 233 174.939 174.086 0.853 1 1 2555 . 11 1 1 A 227 227 GLU CA C 233 54.289 55.456 -1.167 1 1 2556 . 11 1 1 A 227 227 GLU CB C 233 33.797 32.929 0.868 1 1 2558 . 11 1 1 A 227 227 GLU N N 233 116.638 115.886 0.752 1 1 2559 . 11 1 1 A 228 228 VAL H H 234 8.343 8.372 -0.029 1 1 2560 . 11 1 1 A 228 228 VAL HA H 234 5.544 5.131 0.413 1 1 2568 . 11 1 1 A 228 228 VAL C C 234 174.839 174.353 0.486 1 1 2569 . 11 1 1 A 228 228 VAL CA C 234 57.867 60.021 -2.154 1 1 2570 . 11 1 1 A 228 228 VAL CB C 234 35.379 35.507 -0.128 1 1 2573 . 11 1 1 A 228 228 VAL N N 234 109.304 116.117 -6.813 1 1 2574 . 11 1 1 A 229 229 ALA H H 235 8.475 8.525 -0.050 1 1 2575 . 11 1 1 A 229 229 ALA HA H 235 4.937 4.773 0.164 1 1 2579 . 11 1 1 A 229 229 ALA C C 235 176.417 175.877 0.540 1 1 2580 . 11 1 1 A 229 229 ALA CA C 235 51.303 51.245 0.058 1 1 2581 . 11 1 1 A 229 229 ALA CB C 235 20.301 22.585 -2.284 1 1 2582 . 11 1 1 A 229 229 ALA N N 235 120.653 124.232 -3.579 1 1 2583 . 11 1 1 A 230 230 GLY H H 236 9.361 8.217 1.144 1 1 2584 . 11 1 1 A 230 230 GLY HA2 H 236 5.075 4.326 0.749 1 1 2585 . 11 1 1 A 230 230 GLY HA3 H 236 4.017 4.332 -0.315 1 1 2586 . 11 1 1 A 230 230 GLY C C 236 170.130 171.960 -1.830 1 1 2587 . 11 1 1 A 230 230 GLY CA C 236 46.221 45.813 0.408 1 1 2588 . 11 1 1 A 230 230 GLY N N 236 111.104 106.167 4.937 1 1 2589 . 11 1 1 A 231 231 SER H H 237 8.889 8.745 0.144 1 1 2590 . 11 1 1 A 231 231 SER HA H 237 5.276 5.389 -0.113 1 1 2593 . 11 1 1 A 231 231 SER C C 237 171.360 173.019 -1.659 1 1 2594 . 11 1 1 A 231 231 SER CA C 237 56.498 57.232 -0.734 1 1 2595 . 11 1 1 A 231 231 SER CB C 237 66.398 66.478 -0.080 1 1 2596 . 11 1 1 A 231 231 SER N N 237 115.308 115.852 -0.544 1 1 2597 . 11 1 1 A 232 232 ALA H H 238 9.083 8.863 0.220 1 1 2598 . 11 1 1 A 232 232 ALA HA H 238 5.148 5.501 -0.353 1 1 2602 . 11 1 1 A 232 232 ALA C C 238 174.537 175.679 -1.142 1 1 2603 . 11 1 1 A 232 232 ALA CA C 238 49.904 50.575 -0.671 1 1 2604 . 11 1 1 A 232 232 ALA CB C 238 21.729 23.378 -1.649 1 1 2605 . 11 1 1 A 232 232 ALA N N 238 119.911 124.147 -4.236 1 1 2606 . 11 1 1 A 233 233 GLU H H 239 9.015 9.542 -0.527 1 1 2607 . 11 1 1 A 233 233 GLU HA H 239 4.631 5.060 -0.429 1 1 2612 . 11 1 1 A 233 233 GLU C C 239 174.122 174.312 -0.190 1 1 2613 . 11 1 1 A 233 233 GLU CA C 239 54.786 54.255 0.531 1 1 2614 . 11 1 1 A 233 233 GLU CB C 239 31.355 33.319 -1.964 1 1 2616 . 11 1 1 A 233 233 GLU N N 239 122.744 117.166 5.578 1 1 2617 . 11 1 1 A 234 234 VAL H H 240 8.792 8.988 -0.196 1 1 2618 . 11 1 1 A 234 234 VAL HA H 240 4.394 4.899 -0.505 1 1 2623 . 11 1 1 A 234 234 VAL C C 240 174.833 173.810 1.023 1 1 2624 . 11 1 1 A 234 234 VAL CA C 240 61.427 59.744 1.683 1 1 2625 . 11 1 1 A 234 234 VAL CB C 240 33.863 35.016 -1.153 1 1 2627 . 11 1 1 A 234 234 VAL N N 240 124.203 119.735 4.468 1 1 2628 . 11 1 1 A 235 235 LYS H H 241 8.841 8.718 0.123 1 1 2629 . 11 1 1 A 235 235 LYS HA H 241 3.981 4.663 -0.682 1 1 2638 . 11 1 1 A 235 235 LYS C C 241 174.548 175.743 -1.195 1 1 2639 . 11 1 1 A 235 235 LYS CA C 241 55.955 55.584 0.371 1 1 2640 . 11 1 1 A 235 235 LYS CB C 241 32.100 32.633 -0.533 1 1 2644 . 11 1 1 A 235 235 LYS N N 241 127.554 126.880 0.674 1 1 2645 . 11 1 1 A 236 236 THR H H 242 7.212 8.113 -0.901 1 1 2646 . 11 1 1 A 236 236 THR HA H 242 4.355 4.868 -0.513 1 1 2651 . 11 1 1 A 236 236 THR C C 242 176.482 176.223 0.259 1 1 2652 . 11 1 1 A 236 236 THR CA C 242 61.054 61.070 -0.016 1 1 2653 . 11 1 1 A 236 236 THR CB C 242 72.642 70.068 2.574 1 1 2655 . 11 1 1 A 236 236 THR N N 242 114.463 119.758 -5.295 1 1 2656 . 11 1 1 A 237 237 VAL H H 243 9.582 8.892 0.690 1 1 2657 . 11 1 1 A 237 237 VAL HA H 243 3.849 3.669 0.180 1 1 2665 . 11 1 1 A 237 237 VAL C C 243 176.201 177.501 -1.300 1 1 2666 . 11 1 1 A 237 237 VAL CA C 243 64.701 66.795 -2.094 1 1 2667 . 11 1 1 A 237 237 VAL CB C 243 31.028 31.843 -0.815 1 1 2669 . 11 1 1 A 237 237 VAL N N 243 120.670 122.916 -2.246 1 1 2670 . 11 1 1 A 238 238 ASN H H 244 7.572 7.992 -0.420 1 1 2671 . 11 1 1 A 238 238 ASN HA H 244 4.882 4.796 0.086 1 1 2676 . 11 1 1 A 238 238 ASN C C 244 173.835 175.626 -1.791 1 1 2677 . 11 1 1 A 238 238 ASN CA C 244 52.022 53.125 -1.103 1 1 2678 . 11 1 1 A 238 238 ASN CB C 244 39.176 39.094 0.082 1 1 2679 . 11 1 1 A 238 238 ASN N N 244 115.638 116.974 -1.336 1 1 2681 . 11 1 1 A 239 239 GLY H H 245 7.362 8.022 -0.660 1 1 2682 . 11 1 1 A 239 239 GLY HA2 H 245 4.539 4.087 0.452 1 1 2683 . 11 1 1 A 239 239 GLY HA3 H 245 3.728 4.093 -0.365 1 1 2684 . 11 1 1 A 239 239 GLY C C 245 174.343 173.095 1.248 1 1 2685 . 11 1 1 A 239 239 GLY CA C 245 43.316 44.197 -0.881 1 1 2686 . 11 1 1 A 239 239 GLY N N 245 107.650 106.523 1.127 1 1 2687 . 11 1 1 A 240 240 ILE H H 246 8.672 8.261 0.411 1 1 2688 . 11 1 1 A 240 240 ILE HA H 246 4.351 4.553 -0.202 1 1 2698 . 11 1 1 A 240 240 ILE C C 246 176.899 174.911 1.988 1 1 2699 . 11 1 1 A 240 240 ILE CA C 246 61.120 61.286 -0.166 1 1 2700 . 11 1 1 A 240 240 ILE CB C 246 36.906 38.693 -1.787 1 1 2704 . 11 1 1 A 240 240 ILE N N 246 122.673 120.858 1.815 1 1 2705 . 11 1 1 A 241 241 ARG H H 247 9.233 9.065 0.168 1 1 2706 . 11 1 1 A 241 241 ARG HA H 247 4.370 5.095 -0.725 1 1 2713 . 11 1 1 A 241 241 ARG C C 247 173.925 175.081 -1.156 1 1 2714 . 11 1 1 A 241 241 ARG CA C 247 53.461 54.145 -0.684 1 1 2715 . 11 1 1 A 241 241 ARG CB C 247 31.910 33.549 -1.639 1 1 2718 . 11 1 1 A 241 241 ARG N N 247 128.497 127.938 0.559 1 1 2719 . 11 1 1 A 242 242 HIS H H 248 8.519 9.003 -0.484 1 1 2720 . 11 1 1 A 242 242 HIS HA H 248 5.323 5.451 -0.128 1 1 2725 . 11 1 1 A 242 242 HIS C C 248 174.635 174.617 0.018 1 1 2726 . 11 1 1 A 242 242 HIS CA C 248 55.759 54.419 1.340 1 1 2727 . 11 1 1 A 242 242 HIS CB C 248 32.921 34.331 -1.410 1 1 2728 . 11 1 1 A 242 242 HIS N N 248 121.131 117.633 3.498 1 1 2729 . 11 1 1 A 243 243 ILE H H 249 8.723 9.266 -0.543 1 1 2730 . 11 1 1 A 243 243 ILE HA H 249 4.522 4.803 -0.281 1 1 2740 . 11 1 1 A 243 243 ILE C C 249 176.188 175.318 0.870 1 1 2741 . 11 1 1 A 243 243 ILE CA C 249 58.524 59.781 -1.257 1 1 2742 . 11 1 1 A 243 243 ILE CB C 249 41.977 42.590 -0.613 1 1 2746 . 11 1 1 A 243 243 ILE N N 249 119.438 120.664 -1.226 1 1 2747 . 11 1 1 A 244 244 GLY H H 250 9.351 8.821 0.530 1 1 2748 . 11 1 1 A 244 244 GLY HA2 H 250 3.707 3.077 0.630 1 1 2749 . 11 1 1 A 244 244 GLY HA3 H 250 2.119 3.892 -1.773 1 1 2750 . 11 1 1 A 244 244 GLY C C 250 170.981 172.203 -1.222 1 1 2751 . 11 1 1 A 244 244 GLY CA C 250 44.178 44.060 0.118 1 1 2752 . 11 1 1 A 244 244 GLY N N 250 113.700 114.038 -0.338 1 1 2753 . 11 1 1 A 245 245 LEU H H 251 7.833 8.096 -0.263 1 1 2754 . 11 1 1 A 245 245 LEU HA H 251 4.717 5.033 -0.316 1 1 2764 . 11 1 1 A 245 245 LEU C C 251 174.501 175.946 -1.445 1 1 2765 . 11 1 1 A 245 245 LEU CA C 251 52.508 53.549 -1.041 1 1 2766 . 11 1 1 A 245 245 LEU CB C 251 46.764 43.996 2.768 1 1 2770 . 11 1 1 A 245 245 LEU N N 251 120.798 124.302 -3.504 1 1 2771 . 11 1 1 A 246 246 ALA H H 252 7.906 8.632 -0.726 1 1 2772 . 11 1 1 A 246 246 ALA HA H 252 4.589 4.632 -0.043 1 1 2776 . 11 1 1 A 246 246 ALA C C 252 173.363 175.634 -2.271 1 1 2777 . 11 1 1 A 246 246 ALA CA C 252 51.546 51.684 -0.138 1 1 2778 . 11 1 1 A 246 246 ALA CB C 252 21.524 19.119 2.405 1 1 2779 . 11 1 1 A 246 246 ALA N N 252 122.885 124.747 -1.862 1 1 2780 . 11 1 1 A 247 247 ALA H H 253 9.041 8.161 0.880 1 1 2781 . 11 1 1 A 247 247 ALA HA H 253 4.726 5.293 -0.567 1 1 2785 . 11 1 1 A 247 247 ALA C C 253 174.897 175.590 -0.693 1 1 2786 . 11 1 1 A 247 247 ALA CA C 253 51.723 50.629 1.094 1 1 2787 . 11 1 1 A 247 247 ALA CB C 253 22.967 22.798 0.169 1 1 2788 . 11 1 1 A 247 247 ALA N N 253 122.967 125.061 -2.094 1 1 2789 . 11 1 1 A 248 248 LYS H H 254 8.171 8.435 -0.264 1 1 2790 . 11 1 1 A 248 248 LYS HA H 254 5.731 5.056 0.675 1 1 2797 . 11 1 1 A 248 248 LYS C C 254 175.094 175.957 -0.863 1 1 2798 . 11 1 1 A 248 248 LYS CA C 254 53.866 54.418 -0.552 1 1 2799 . 11 1 1 A 248 248 LYS CB C 254 36.312 35.693 0.619 1 1 2802 . 11 1 1 A 248 248 LYS N N 254 115.734 118.500 -2.766 1 1 60 . 12 1 1 A 9 9 GLY H H 15 8.346 8.886 -0.540 1 1 61 . 12 1 1 A 9 9 GLY HA2 H 15 4.021 3.876 0.145 1 1 62 . 12 1 1 A 9 9 GLY HA3 H 15 3.772 3.878 -0.106 1 1 63 . 12 1 1 A 9 9 GLY C C 15 174.259 175.428 -1.169 1 1 64 . 12 1 1 A 9 9 GLY CA C 15 45.581 46.445 -0.864 1 1 65 . 12 1 1 A 9 9 GLY N N 15 107.368 110.547 -3.179 1 1 66 . 12 1 1 A 10 10 LEU H H 16 7.224 7.770 -0.546 1 1 67 . 12 1 1 A 10 10 LEU HA H 16 3.736 3.979 -0.243 1 1 77 . 12 1 1 A 10 10 LEU C C 16 178.202 178.561 -0.359 1 1 78 . 12 1 1 A 10 10 LEU CA C 16 57.915 57.598 0.317 1 1 79 . 12 1 1 A 10 10 LEU CB C 16 40.686 41.741 -1.055 1 1 83 . 12 1 1 A 10 10 LEU N N 16 117.616 122.528 -4.912 1 1 84 . 12 1 1 A 11 11 ALA H H 17 7.860 8.485 -0.625 1 1 85 . 12 1 1 A 11 11 ALA HA H 17 3.937 4.081 -0.144 1 1 89 . 12 1 1 A 11 11 ALA C C 17 181.090 180.122 0.968 1 1 90 . 12 1 1 A 11 11 ALA CA C 17 54.860 55.412 -0.552 1 1 91 . 12 1 1 A 11 11 ALA CB C 17 17.248 18.306 -1.058 1 1 92 . 12 1 1 A 11 11 ALA N N 17 117.757 120.994 -3.237 1 1 93 . 12 1 1 A 12 12 ASP H H 18 8.017 8.198 -0.181 1 1 94 . 12 1 1 A 12 12 ASP HA H 18 4.223 4.506 -0.283 1 1 97 . 12 1 1 A 12 12 ASP C C 18 177.941 177.351 0.590 1 1 98 . 12 1 1 A 12 12 ASP CA C 18 56.341 55.872 0.469 1 1 99 . 12 1 1 A 12 12 ASP CB C 18 39.312 40.332 -1.020 1 1 100 . 12 1 1 A 12 12 ASP N N 18 118.410 118.095 0.315 1 1 101 . 12 1 1 A 13 13 ALA H H 19 8.205 7.834 0.371 1 1 102 . 12 1 1 A 13 13 ALA HA H 19 3.952 4.583 -0.631 1 1 106 . 12 1 1 A 13 13 ALA C C 19 178.856 178.065 0.791 1 1 107 . 12 1 1 A 13 13 ALA CA C 19 55.039 52.057 2.982 1 1 108 . 12 1 1 A 13 13 ALA CB C 19 17.779 20.919 -3.140 1 1 109 . 12 1 1 A 13 13 ALA N N 19 121.480 122.086 -0.606 1 1 110 . 12 1 1 A 14 14 LEU H H 20 7.217 7.738 -0.521 1 1 111 . 12 1 1 A 14 14 LEU HA H 20 4.258 4.328 -0.070 1 1 121 . 12 1 1 A 14 14 LEU C C 20 177.544 178.883 -1.339 1 1 122 . 12 1 1 A 14 14 LEU CA C 20 55.511 56.517 -1.006 1 1 123 . 12 1 1 A 14 14 LEU CB C 20 42.176 42.422 -0.246 1 1 126 . 12 1 1 A 14 14 LEU N N 20 113.410 116.344 -2.934 1 1 127 . 12 1 1 A 15 15 THR H H 21 7.624 7.815 -0.191 1 1 128 . 12 1 1 A 15 15 THR HA H 21 4.394 4.117 0.277 1 1 133 . 12 1 1 A 15 15 THR C C 21 174.959 174.621 0.338 1 1 134 . 12 1 1 A 15 15 THR CA C 21 61.733 65.006 -3.273 1 1 135 . 12 1 1 A 15 15 THR CB C 21 71.514 68.047 3.467 1 1 137 . 12 1 1 A 15 15 THR N N 21 106.072 110.952 -4.880 1 1 138 . 12 1 1 A 16 16 ALA H H 22 8.932 7.660 1.272 1 1 139 . 12 1 1 A 16 16 ALA HA H 22 4.624 4.616 0.008 1 1 143 . 12 1 1 A 16 16 ALA C C 22 175.978 174.431 1.547 1 1 144 . 12 1 1 A 16 16 ALA CA C 22 50.681 50.391 0.290 1 1 145 . 12 1 1 A 16 16 ALA CB C 22 18.728 21.641 -2.913 1 1 146 . 12 1 1 A 16 16 ALA N N 22 127.789 121.476 6.313 1 1 147 . 12 1 1 A 17 17 PRO HA H 23 4.430 4.551 -0.121 1 1 154 . 12 1 1 A 17 17 PRO CA C 23 61.497 62.445 -0.948 1 1 155 . 12 1 1 A 17 17 PRO CB C 23 31.775 32.831 -1.056 1 1 158 . 12 1 1 A 18 18 LEU H H 24 8.154 8.272 -0.118 1 1 159 . 12 1 1 A 18 18 LEU HA H 24 3.894 4.810 -0.916 1 1 169 . 12 1 1 A 18 18 LEU C C 24 176.447 176.306 0.141 1 1 170 . 12 1 1 A 18 18 LEU CA C 24 55.510 53.042 2.468 1 1 171 . 12 1 1 A 18 18 LEU CB C 24 40.921 43.270 -2.349 1 1 175 . 12 1 1 A 18 18 LEU N N 24 121.010 121.051 -0.041 1 1 176 . 12 1 1 A 19 19 ASP H H 25 8.758 8.481 0.277 1 1 177 . 12 1 1 A 19 19 ASP HA H 25 4.626 4.556 0.070 1 1 180 . 12 1 1 A 19 19 ASP C C 25 176.425 176.581 -0.156 1 1 181 . 12 1 1 A 19 19 ASP CA C 25 52.688 54.922 -2.234 1 1 182 . 12 1 1 A 19 19 ASP CB C 25 42.819 40.583 2.236 1 1 183 . 12 1 1 A 19 19 ASP N N 25 124.654 120.244 4.410 1 1 184 . 12 1 1 A 20 20 HIS HA H 26 4.272 4.473 -0.201 1 1 189 . 12 1 1 A 20 20 HIS CA C 26 58.100 58.057 0.043 1 1 190 . 12 1 1 A 20 20 HIS CB C 26 29.200 28.969 0.231 1 1 191 . 12 1 1 A 21 21 LYS H H 27 8.348 7.906 0.442 1 1 192 . 12 1 1 A 21 21 LYS HA H 27 3.970 4.126 -0.156 1 1 201 . 12 1 1 A 21 21 LYS C C 27 177.393 176.529 0.864 1 1 202 . 12 1 1 A 21 21 LYS CA C 27 56.320 58.233 -1.913 1 1 203 . 12 1 1 A 21 21 LYS CB C 27 30.950 32.940 -1.990 1 1 206 . 12 1 1 A 21 21 LYS N N 27 118.419 117.928 0.491 1 1 207 . 12 1 1 A 22 22 ASP H H 28 7.451 7.720 -0.269 1 1 208 . 12 1 1 A 22 22 ASP HA H 28 4.307 5.037 -0.730 1 1 211 . 12 1 1 A 22 22 ASP C C 28 176.212 174.474 1.738 1 1 212 . 12 1 1 A 22 22 ASP CA C 28 54.164 53.721 0.443 1 1 213 . 12 1 1 A 22 22 ASP CB C 28 40.091 43.170 -3.079 1 1 214 . 12 1 1 A 22 22 ASP N N 28 120.045 113.294 6.751 1 1 215 . 12 1 1 A 23 23 LYS H H 29 8.416 8.731 -0.315 1 1 216 . 12 1 1 A 23 23 LYS HA H 29 3.962 4.465 -0.503 1 1 225 . 12 1 1 A 23 23 LYS C C 29 177.409 175.690 1.719 1 1 226 . 12 1 1 A 23 23 LYS CA C 29 56.254 56.877 -0.623 1 1 227 . 12 1 1 A 23 23 LYS CB C 29 31.950 33.479 -1.529 1 1 231 . 12 1 1 A 23 23 LYS N N 29 121.925 120.122 1.803 1 1 232 . 12 1 1 A 24 24 GLY H H 30 8.612 7.991 0.621 1 1 233 . 12 1 1 A 24 24 GLY HA2 H 30 3.655 4.146 -0.491 1 1 234 . 12 1 1 A 24 24 GLY HA3 H 30 3.519 4.172 -0.653 1 1 235 . 12 1 1 A 24 24 GLY CA C 30 44.788 45.005 -0.217 1 1 236 . 12 1 1 A 24 24 GLY N N 30 111.487 107.169 4.318 1 1 237 . 12 1 1 A 25 25 LEU H H 31 8.054 8.295 -0.241 1 1 238 . 12 1 1 A 25 25 LEU HA H 31 3.770 4.309 -0.539 1 1 248 . 12 1 1 A 25 25 LEU CA C 31 55.906 55.792 0.114 1 1 249 . 12 1 1 A 25 25 LEU CB C 31 44.428 43.227 1.201 1 1 253 . 12 1 1 A 25 25 LEU N N 31 127.196 121.858 5.338 1 1 254 . 12 1 1 A 26 26 GLN H H 32 9.184 8.858 0.326 1 1 255 . 12 1 1 A 26 26 GLN HA H 32 3.437 4.575 -1.138 1 1 262 . 12 1 1 A 26 26 GLN C C 32 174.347 175.828 -1.481 1 1 263 . 12 1 1 A 26 26 GLN CA C 32 57.926 57.347 0.579 1 1 264 . 12 1 1 A 26 26 GLN CB C 32 27.721 30.697 -2.976 1 1 266 . 12 1 1 A 26 26 GLN N N 32 131.782 123.727 8.055 1 1 268 . 12 1 1 A 27 27 SER H H 33 7.240 7.705 -0.465 1 1 269 . 12 1 1 A 27 27 SER HA H 33 4.981 4.865 0.116 1 1 272 . 12 1 1 A 27 27 SER C C 33 171.111 172.516 -1.405 1 1 273 . 12 1 1 A 27 27 SER CA C 33 56.782 57.445 -0.663 1 1 274 . 12 1 1 A 27 27 SER CB C 33 64.611 65.227 -0.616 1 1 275 . 12 1 1 A 27 27 SER N N 33 108.936 111.143 -2.207 1 1 276 . 12 1 1 A 28 28 LEU H H 34 8.010 8.775 -0.765 1 1 277 . 12 1 1 A 28 28 LEU HA H 34 4.372 5.237 -0.865 1 1 287 . 12 1 1 A 28 28 LEU C C 34 174.697 174.970 -0.273 1 1 288 . 12 1 1 A 28 28 LEU CA C 34 53.332 52.959 0.373 1 1 289 . 12 1 1 A 28 28 LEU CB C 34 45.636 46.186 -0.550 1 1 293 . 12 1 1 A 28 28 LEU N N 34 121.826 120.507 1.319 1 1 294 . 12 1 1 A 29 29 THR H H 35 8.810 8.818 -0.008 1 1 295 . 12 1 1 A 29 29 THR HA H 35 4.046 4.625 -0.579 1 1 300 . 12 1 1 A 29 29 THR C C 35 172.792 174.319 -1.527 1 1 301 . 12 1 1 A 29 29 THR CA C 35 62.565 62.523 0.042 1 1 302 . 12 1 1 A 29 29 THR CB C 35 68.233 69.938 -1.705 1 1 304 . 12 1 1 A 29 29 THR N N 35 123.892 116.854 7.038 1 1 305 . 12 1 1 A 30 30 LEU H H 36 8.662 8.731 -0.069 1 1 306 . 12 1 1 A 30 30 LEU HA H 36 4.150 4.600 -0.450 1 1 316 . 12 1 1 A 30 30 LEU C C 36 174.707 176.896 -2.189 1 1 317 . 12 1 1 A 30 30 LEU CA C 36 53.789 53.929 -0.140 1 1 318 . 12 1 1 A 30 30 LEU CB C 36 40.562 41.213 -0.651 1 1 322 . 12 1 1 A 30 30 LEU N N 36 128.365 126.109 2.256 1 1 323 . 12 1 1 A 31 31 ASP H H 37 8.500 8.195 0.305 1 1 324 . 12 1 1 A 31 31 ASP HA H 37 4.837 4.274 0.563 1 1 327 . 12 1 1 A 31 31 ASP CA C 37 54.657 57.268 -2.611 1 1 328 . 12 1 1 A 31 31 ASP CB C 37 43.089 40.991 2.098 1 1 329 . 12 1 1 A 31 31 ASP N N 37 123.194 121.060 2.134 1 1 330 . 12 1 1 A 32 32 GLN H H 38 10.453 7.968 2.485 1 1 331 . 12 1 1 A 32 32 GLN HA H 38 3.808 4.362 -0.554 1 1 338 . 12 1 1 A 32 32 GLN C C 38 178.535 175.374 3.161 1 1 339 . 12 1 1 A 32 32 GLN CA C 38 56.284 54.994 1.290 1 1 340 . 12 1 1 A 32 32 GLN CB C 38 28.175 27.056 1.119 1 1 342 . 12 1 1 A 32 32 GLN N N 38 120.692 117.989 2.703 1 1 344 . 12 1 1 A 33 33 SER H H 39 8.523 8.418 0.105 1 1 345 . 12 1 1 A 33 33 SER HA H 39 4.081 4.616 -0.535 1 1 348 . 12 1 1 A 33 33 SER C C 39 171.792 173.415 -1.623 1 1 349 . 12 1 1 A 33 33 SER CA C 39 61.436 59.822 1.614 1 1 350 . 12 1 1 A 33 33 SER CB C 39 63.008 65.576 -2.568 1 1 351 . 12 1 1 A 33 33 SER N N 39 111.712 120.670 -8.958 1 1 352 . 12 1 1 A 34 34 VAL H H 40 6.691 7.409 -0.718 1 1 353 . 12 1 1 A 34 34 VAL HA H 40 3.890 4.488 -0.598 1 1 361 . 12 1 1 A 34 34 VAL C C 40 172.251 173.449 -1.198 1 1 362 . 12 1 1 A 34 34 VAL CA C 40 60.415 59.674 0.741 1 1 363 . 12 1 1 A 34 34 VAL CB C 40 32.306 35.569 -3.263 1 1 366 . 12 1 1 A 34 34 VAL N N 40 115.971 118.463 -2.492 1 1 367 . 12 1 1 A 35 35 ARG H H 41 8.184 8.501 -0.317 1 1 368 . 12 1 1 A 35 35 ARG HA H 41 4.176 4.801 -0.625 1 1 375 . 12 1 1 A 35 35 ARG C C 41 176.886 177.018 -0.132 1 1 376 . 12 1 1 A 35 35 ARG CA C 41 55.599 54.050 1.549 1 1 377 . 12 1 1 A 35 35 ARG CB C 41 30.569 33.106 -2.537 1 1 380 . 12 1 1 A 35 35 ARG N N 41 125.397 123.070 2.327 1 1 381 . 12 1 1 A 36 36 LYS H H 42 8.493 8.431 0.062 1 1 382 . 12 1 1 A 36 36 LYS HA H 42 3.778 4.278 -0.500 1 1 391 . 12 1 1 A 36 36 LYS C C 42 176.596 176.625 -0.029 1 1 392 . 12 1 1 A 36 36 LYS CA C 42 58.687 57.953 0.734 1 1 393 . 12 1 1 A 36 36 LYS CB C 42 31.959 31.966 -0.007 1 1 397 . 12 1 1 A 36 36 LYS N N 42 119.360 122.498 -3.138 1 1 398 . 12 1 1 A 37 37 ASN H H 43 8.513 8.359 0.154 1 1 399 . 12 1 1 A 37 37 ASN HA H 43 4.438 4.975 -0.537 1 1 404 . 12 1 1 A 37 37 ASN C C 43 173.867 175.081 -1.214 1 1 405 . 12 1 1 A 37 37 ASN CA C 43 55.127 53.962 1.165 1 1 406 . 12 1 1 A 37 37 ASN CB C 43 37.071 40.118 -3.047 1 1 407 . 12 1 1 A 37 37 ASN N N 43 115.488 115.980 -0.492 1 1 409 . 12 1 1 A 38 38 GLU H H 44 7.793 7.878 -0.085 1 1 410 . 12 1 1 A 38 38 GLU HA H 44 4.772 4.407 0.365 1 1 413 . 12 1 1 A 38 38 GLU C C 44 175.262 175.646 -0.384 1 1 414 . 12 1 1 A 38 38 GLU CA C 44 54.808 56.234 -1.426 1 1 415 . 12 1 1 A 38 38 GLU CB C 44 32.321 30.559 1.762 1 1 416 . 12 1 1 A 38 38 GLU N N 44 118.734 119.631 -0.897 1 1 417 . 12 1 1 A 39 39 LYS H H 45 8.706 8.510 0.196 1 1 418 . 12 1 1 A 39 39 LYS HA H 45 4.606 4.692 -0.086 1 1 427 . 12 1 1 A 39 39 LYS C C 45 174.312 175.860 -1.548 1 1 428 . 12 1 1 A 39 39 LYS CA C 45 52.782 56.154 -3.372 1 1 429 . 12 1 1 A 39 39 LYS CB C 45 35.174 34.088 1.086 1 1 433 . 12 1 1 A 39 39 LYS N N 45 117.132 125.318 -8.186 1 1 434 . 12 1 1 A 40 40 LEU H H 46 9.085 8.563 0.522 1 1 435 . 12 1 1 A 40 40 LEU HA H 46 5.044 5.263 -0.219 1 1 442 . 12 1 1 A 40 40 LEU C C 46 173.778 174.435 -0.657 1 1 443 . 12 1 1 A 40 40 LEU CA C 46 52.590 54.041 -1.451 1 1 444 . 12 1 1 A 40 40 LEU CB C 46 44.855 46.315 -1.460 1 1 447 . 12 1 1 A 40 40 LEU N N 46 125.335 123.257 2.078 1 1 448 . 12 1 1 A 41 41 LYS H H 47 9.263 9.263 0.000 1 1 449 . 12 1 1 A 41 41 LYS HA H 47 5.049 5.332 -0.283 1 1 458 . 12 1 1 A 41 41 LYS C C 47 175.616 174.876 0.740 1 1 459 . 12 1 1 A 41 41 LYS CA C 47 53.864 54.682 -0.818 1 1 460 . 12 1 1 A 41 41 LYS CB C 47 32.986 35.973 -2.987 1 1 464 . 12 1 1 A 41 41 LYS N N 47 129.833 126.579 3.254 1 1 465 . 12 1 1 A 42 42 LEU H H 48 8.954 9.140 -0.186 1 1 466 . 12 1 1 A 42 42 LEU HA H 48 5.458 5.329 0.129 1 1 476 . 12 1 1 A 42 42 LEU C C 48 175.565 175.666 -0.101 1 1 477 . 12 1 1 A 42 42 LEU CA C 48 51.964 53.314 -1.350 1 1 478 . 12 1 1 A 42 42 LEU CB C 48 44.393 44.809 -0.416 1 1 482 . 12 1 1 A 42 42 LEU N N 48 126.292 128.643 -2.351 1 1 483 . 12 1 1 A 43 43 ALA H H 49 8.804 8.609 0.195 1 1 484 . 12 1 1 A 43 43 ALA HA H 49 5.304 5.549 -0.245 1 1 488 . 12 1 1 A 43 43 ALA C C 49 176.301 175.630 0.671 1 1 489 . 12 1 1 A 43 43 ALA CA C 49 51.004 51.118 -0.114 1 1 490 . 12 1 1 A 43 43 ALA CB C 49 23.453 23.186 0.267 1 1 491 . 12 1 1 A 43 43 ALA N N 49 120.789 122.401 -1.612 1 1 492 . 12 1 1 A 44 44 ALA H H 50 8.117 8.841 -0.724 1 1 493 . 12 1 1 A 44 44 ALA HA H 50 4.485 4.483 0.002 1 1 497 . 12 1 1 A 44 44 ALA C C 50 176.254 176.843 -0.589 1 1 498 . 12 1 1 A 44 44 ALA CA C 50 53.021 51.777 1.244 1 1 499 . 12 1 1 A 44 44 ALA CB C 50 23.682 21.671 2.011 1 1 500 . 12 1 1 A 44 44 ALA N N 50 120.678 120.773 -0.095 1 1 501 . 12 1 1 A 45 45 GLN H H 51 9.035 9.296 -0.261 1 1 502 . 12 1 1 A 45 45 GLN HA H 51 3.774 3.917 -0.143 1 1 509 . 12 1 1 A 45 45 GLN C C 51 175.259 174.935 0.324 1 1 510 . 12 1 1 A 45 45 GLN CA C 51 56.074 56.656 -0.582 1 1 511 . 12 1 1 A 45 45 GLN CB C 51 27.339 27.433 -0.094 1 1 513 . 12 1 1 A 45 45 GLN N N 51 116.299 123.475 -7.176 1 1 515 . 12 1 1 A 46 46 GLY H H 52 8.441 8.507 -0.066 1 1 516 . 12 1 1 A 46 46 GLY HA2 H 52 4.066 3.815 0.251 1 1 517 . 12 1 1 A 46 46 GLY HA3 H 52 3.510 3.816 -0.306 1 1 518 . 12 1 1 A 46 46 GLY C C 52 173.050 173.860 -0.810 1 1 519 . 12 1 1 A 46 46 GLY CA C 52 44.998 45.234 -0.236 1 1 520 . 12 1 1 A 46 46 GLY N N 52 105.419 105.143 0.276 1 1 521 . 12 1 1 A 47 47 ALA H H 53 8.152 7.551 0.601 1 1 522 . 12 1 1 A 47 47 ALA HA H 53 4.767 4.677 0.090 1 1 526 . 12 1 1 A 47 47 ALA C C 53 175.989 176.467 -0.478 1 1 527 . 12 1 1 A 47 47 ALA CA C 53 49.918 51.158 -1.240 1 1 528 . 12 1 1 A 47 47 ALA CB C 53 22.720 21.306 1.414 1 1 529 . 12 1 1 A 47 47 ALA N N 53 124.355 123.573 0.782 1 1 530 . 12 1 1 A 48 48 GLU H H 54 8.156 9.047 -0.891 1 1 531 . 12 1 1 A 48 48 GLU HA H 54 5.488 5.504 -0.016 1 1 536 . 12 1 1 A 48 48 GLU C C 54 174.224 174.008 0.216 1 1 537 . 12 1 1 A 48 48 GLU CA C 54 54.346 55.011 -0.665 1 1 538 . 12 1 1 A 48 48 GLU CB C 54 34.305 33.824 0.481 1 1 540 . 12 1 1 A 48 48 GLU N N 54 116.655 116.456 0.199 1 1 541 . 12 1 1 A 49 49 LYS H H 55 8.852 8.534 0.318 1 1 542 . 12 1 1 A 49 49 LYS HA H 55 4.190 5.090 -0.900 1 1 549 . 12 1 1 A 49 49 LYS C C 55 172.887 174.791 -1.904 1 1 550 . 12 1 1 A 49 49 LYS CA C 55 56.414 54.489 1.925 1 1 551 . 12 1 1 A 49 49 LYS CB C 55 34.723 36.686 -1.963 1 1 554 . 12 1 1 A 49 49 LYS N N 55 122.922 121.948 0.974 1 1 555 . 12 1 1 A 50 50 THR H H 56 7.910 8.481 -0.571 1 1 556 . 12 1 1 A 50 50 THR HA H 56 4.908 5.046 -0.138 1 1 561 . 12 1 1 A 50 50 THR C C 56 173.112 172.722 0.390 1 1 562 . 12 1 1 A 50 50 THR CA C 56 61.998 61.038 0.960 1 1 563 . 12 1 1 A 50 50 THR CB C 56 68.596 70.953 -2.357 1 1 565 . 12 1 1 A 50 50 THR N N 56 120.811 117.767 3.044 1 1 566 . 12 1 1 A 51 51 TYR H H 57 9.432 9.168 0.264 1 1 567 . 12 1 1 A 51 51 TYR HA H 57 4.493 5.103 -0.610 1 1 574 . 12 1 1 A 51 51 TYR C C 57 174.156 174.584 -0.428 1 1 575 . 12 1 1 A 51 51 TYR CA C 57 57.375 56.187 1.188 1 1 576 . 12 1 1 A 51 51 TYR CB C 57 41.895 43.214 -1.319 1 1 577 . 12 1 1 A 51 51 TYR N N 57 127.372 124.094 3.278 1 1 578 . 12 1 1 A 52 52 GLY H H 58 9.154 9.019 0.135 1 1 579 . 12 1 1 A 52 52 GLY HA2 H 58 3.543 4.242 -0.699 1 1 580 . 12 1 1 A 52 52 GLY HA3 H 58 3.543 4.249 -0.706 1 1 581 . 12 1 1 A 52 52 GLY C C 58 172.527 173.441 -0.914 1 1 582 . 12 1 1 A 52 52 GLY CA C 58 42.304 45.804 -3.500 1 1 583 . 12 1 1 A 52 52 GLY N N 58 108.920 110.534 -1.614 1 1 584 . 12 1 1 A 53 53 ASN H H 59 8.877 7.656 1.221 1 1 585 . 12 1 1 A 53 53 ASN HA H 59 4.034 4.904 -0.870 1 1 588 . 12 1 1 A 53 53 ASN C C 59 176.319 173.803 2.516 1 1 589 . 12 1 1 A 53 53 ASN CA C 59 57.108 52.311 4.797 1 1 590 . 12 1 1 A 53 53 ASN CB C 59 39.672 38.578 1.094 1 1 591 . 12 1 1 A 53 53 ASN N N 59 117.281 115.168 2.113 1 1 592 . 12 1 1 A 54 54 GLY H H 60 8.949 8.813 0.136 1 1 593 . 12 1 1 A 54 54 GLY HA2 H 60 4.222 3.843 0.379 1 1 594 . 12 1 1 A 54 54 GLY HA3 H 60 3.348 3.859 -0.511 1 1 595 . 12 1 1 A 54 54 GLY C C 60 174.096 173.497 0.599 1 1 596 . 12 1 1 A 54 54 GLY CA C 60 44.931 47.268 -2.337 1 1 597 . 12 1 1 A 54 54 GLY N N 60 114.860 106.820 8.040 1 1 598 . 12 1 1 A 55 55 ASP H H 61 7.991 8.519 -0.528 1 1 599 . 12 1 1 A 55 55 ASP HA H 61 4.493 5.019 -0.526 1 1 602 . 12 1 1 A 55 55 ASP C C 61 174.727 174.506 0.221 1 1 603 . 12 1 1 A 55 55 ASP CA C 61 54.408 53.351 1.057 1 1 604 . 12 1 1 A 55 55 ASP CB C 61 41.780 42.451 -0.671 1 1 605 . 12 1 1 A 55 55 ASP N N 61 121.974 121.775 0.199 1 1 606 . 12 1 1 A 56 56 SER H H 62 8.485 8.221 0.264 1 1 607 . 12 1 1 A 56 56 SER HA H 62 4.959 5.284 -0.325 1 1 610 . 12 1 1 A 56 56 SER C C 62 173.099 172.520 0.579 1 1 611 . 12 1 1 A 56 56 SER CA C 62 57.154 57.199 -0.045 1 1 612 . 12 1 1 A 56 56 SER CB C 62 64.522 66.019 -1.497 1 1 613 . 12 1 1 A 56 56 SER N N 62 113.088 112.163 0.925 1 1 614 . 12 1 1 A 57 57 LEU H H 63 9.004 8.991 0.013 1 1 615 . 12 1 1 A 57 57 LEU HA H 63 4.500 5.001 -0.501 1 1 625 . 12 1 1 A 57 57 LEU C C 63 175.943 175.707 0.236 1 1 626 . 12 1 1 A 57 57 LEU CA C 63 53.070 53.911 -0.841 1 1 627 . 12 1 1 A 57 57 LEU CB C 63 43.800 46.100 -2.300 1 1 630 . 12 1 1 A 57 57 LEU N N 63 126.423 123.535 2.888 1 1 631 . 12 1 1 A 58 58 ASN H H 64 8.484 8.824 -0.340 1 1 632 . 12 1 1 A 58 58 ASN HA H 64 4.752 5.047 -0.295 1 1 635 . 12 1 1 A 58 58 ASN C C 64 173.916 175.290 -1.374 1 1 636 . 12 1 1 A 58 58 ASN CA C 64 50.587 53.523 -2.936 1 1 637 . 12 1 1 A 58 58 ASN CB C 64 35.153 39.556 -4.403 1 1 638 . 12 1 1 A 58 58 ASN N N 64 125.624 124.175 1.449 1 1 639 . 12 1 1 A 59 59 THR H H 65 7.747 8.618 -0.871 1 1 640 . 12 1 1 A 59 59 THR HA H 65 4.770 4.640 0.130 1 1 645 . 12 1 1 A 59 59 THR C C 65 177.245 175.290 1.955 1 1 646 . 12 1 1 A 59 59 THR CA C 65 63.213 61.396 1.817 1 1 647 . 12 1 1 A 59 59 THR CB C 65 63.510 71.247 -7.737 1 1 649 . 12 1 1 A 59 59 THR N N 65 113.770 116.164 -2.394 1 1 650 . 12 1 1 A 60 60 GLY H H 66 8.869 8.148 0.721 1 1 651 . 12 1 1 A 60 60 GLY HA2 H 66 3.839 3.752 0.087 1 1 652 . 12 1 1 A 60 60 GLY HA3 H 66 3.724 3.788 -0.064 1 1 653 . 12 1 1 A 60 60 GLY C C 66 173.279 174.989 -1.710 1 1 654 . 12 1 1 A 60 60 GLY CA C 66 44.892 47.415 -2.523 1 1 655 . 12 1 1 A 60 60 GLY N N 66 114.430 110.048 4.382 1 1 656 . 12 1 1 A 61 61 LYS H H 67 6.376 7.950 -1.574 1 1 657 . 12 1 1 A 61 61 LYS HA H 67 4.021 4.405 -0.384 1 1 666 . 12 1 1 A 61 61 LYS C C 67 176.315 175.715 0.600 1 1 667 . 12 1 1 A 61 61 LYS CA C 67 54.298 54.979 -0.681 1 1 668 . 12 1 1 A 61 61 LYS CB C 67 32.200 34.134 -1.934 1 1 672 . 12 1 1 A 61 61 LYS N N 67 112.620 121.438 -8.818 1 1 673 . 12 1 1 A 62 62 LEU H H 68 7.335 8.710 -1.375 1 1 674 . 12 1 1 A 62 62 LEU HA H 68 4.275 4.416 -0.141 1 1 684 . 12 1 1 A 62 62 LEU C C 68 176.306 176.468 -0.162 1 1 685 . 12 1 1 A 62 62 LEU CA C 68 52.479 56.772 -4.293 1 1 686 . 12 1 1 A 62 62 LEU CB C 68 40.600 41.101 -0.501 1 1 689 . 12 1 1 A 62 62 LEU N N 68 116.704 120.654 -3.950 1 1 690 . 12 1 1 A 63 63 LYS H H 69 8.506 8.441 0.065 1 1 691 . 12 1 1 A 63 63 LYS HA H 69 3.992 4.965 -0.973 1 1 700 . 12 1 1 A 63 63 LYS C C 69 175.886 175.974 -0.088 1 1 701 . 12 1 1 A 63 63 LYS CA C 69 54.986 54.164 0.822 1 1 702 . 12 1 1 A 63 63 LYS CB C 69 32.447 36.046 -3.599 1 1 706 . 12 1 1 A 63 63 LYS N N 69 119.841 118.414 1.427 1 1 707 . 12 1 1 A 64 64 ASN H H 70 8.080 8.820 -0.740 1 1 708 . 12 1 1 A 64 64 ASN HA H 70 3.839 4.597 -0.758 1 1 713 . 12 1 1 A 64 64 ASN C C 70 174.449 174.112 0.337 1 1 714 . 12 1 1 A 64 64 ASN CA C 70 54.417 55.470 -1.053 1 1 715 . 12 1 1 A 64 64 ASN CB C 70 38.129 37.364 0.765 1 1 716 . 12 1 1 A 64 64 ASN N N 70 121.515 117.269 4.246 1 1 718 . 12 1 1 A 65 65 ASP H H 71 9.218 8.582 0.636 1 1 719 . 12 1 1 A 65 65 ASP HA H 71 3.690 5.836 -2.146 1 1 722 . 12 1 1 A 65 65 ASP C C 71 173.016 174.998 -1.982 1 1 723 . 12 1 1 A 65 65 ASP CA C 71 54.726 53.187 1.539 1 1 724 . 12 1 1 A 65 65 ASP CB C 71 38.534 43.444 -4.910 1 1 725 . 12 1 1 A 65 65 ASP N N 71 113.370 118.271 -4.901 1 1 726 . 12 1 1 A 66 66 LYS H H 72 6.443 8.728 -2.285 1 1 727 . 12 1 1 A 66 66 LYS HA H 72 4.411 4.763 -0.352 1 1 734 . 12 1 1 A 66 66 LYS C C 72 174.745 174.349 0.396 1 1 735 . 12 1 1 A 66 66 LYS CA C 72 53.094 54.715 -1.621 1 1 736 . 12 1 1 A 66 66 LYS CB C 72 36.099 35.165 0.934 1 1 739 . 12 1 1 A 66 66 LYS N N 72 113.415 121.103 -7.688 1 1 740 . 12 1 1 A 67 67 VAL H H 73 8.679 8.020 0.659 1 1 741 . 12 1 1 A 67 67 VAL HA H 73 4.189 3.929 0.260 1 1 749 . 12 1 1 A 67 67 VAL C C 73 176.630 175.592 1.038 1 1 750 . 12 1 1 A 67 67 VAL CA C 73 62.135 60.989 1.146 1 1 751 . 12 1 1 A 67 67 VAL CB C 73 32.001 32.154 -0.153 1 1 753 . 12 1 1 A 67 67 VAL N N 73 122.098 118.991 3.107 1 1 754 . 12 1 1 A 68 68 SER H H 74 9.497 8.896 0.601 1 1 755 . 12 1 1 A 68 68 SER HA H 74 4.507 4.716 -0.209 1 1 758 . 12 1 1 A 68 68 SER C C 74 172.249 174.106 -1.857 1 1 759 . 12 1 1 A 68 68 SER CA C 74 58.323 58.281 0.042 1 1 760 . 12 1 1 A 68 68 SER CB C 74 64.028 64.257 -0.229 1 1 761 . 12 1 1 A 68 68 SER N N 74 127.048 123.644 3.404 1 1 762 . 12 1 1 A 69 69 ARG H H 75 7.848 8.302 -0.454 1 1 763 . 12 1 1 A 69 69 ARG HA H 75 5.031 4.563 0.468 1 1 770 . 12 1 1 A 69 69 ARG C C 75 173.300 175.541 -2.241 1 1 771 . 12 1 1 A 69 69 ARG CA C 75 55.337 55.823 -0.486 1 1 772 . 12 1 1 A 69 69 ARG CB C 75 31.871 30.762 1.109 1 1 775 . 12 1 1 A 69 69 ARG N N 75 122.621 123.244 -0.623 1 1 776 . 12 1 1 A 70 70 PHE H H 76 9.246 8.732 0.514 1 1 777 . 12 1 1 A 70 70 PHE HA H 76 4.808 5.115 -0.307 1 1 784 . 12 1 1 A 70 70 PHE C C 76 175.788 174.275 1.513 1 1 785 . 12 1 1 A 70 70 PHE CA C 76 55.245 56.653 -1.408 1 1 786 . 12 1 1 A 70 70 PHE CB C 76 43.645 43.842 -0.197 1 1 787 . 12 1 1 A 70 70 PHE N N 76 118.087 120.550 -2.463 1 1 788 . 12 1 1 A 71 71 ASP H H 77 9.144 8.815 0.329 1 1 789 . 12 1 1 A 71 71 ASP HA H 77 5.360 5.615 -0.255 1 1 792 . 12 1 1 A 71 71 ASP C C 77 176.477 175.753 0.724 1 1 793 . 12 1 1 A 71 71 ASP CA C 77 55.131 52.760 2.371 1 1 794 . 12 1 1 A 71 71 ASP CB C 77 41.301 43.659 -2.358 1 1 795 . 12 1 1 A 71 71 ASP N N 77 123.565 120.606 2.959 1 1 796 . 12 1 1 A 72 72 PHE H H 78 9.094 8.944 0.150 1 1 797 . 12 1 1 A 72 72 PHE HA H 78 6.431 5.612 0.819 1 1 805 . 12 1 1 A 72 72 PHE C C 78 174.014 172.901 1.113 1 1 806 . 12 1 1 A 72 72 PHE CA C 78 54.934 55.858 -0.924 1 1 807 . 12 1 1 A 72 72 PHE CB C 78 42.491 42.882 -0.391 1 1 808 . 12 1 1 A 72 72 PHE N N 78 119.663 117.761 1.902 1 1 809 . 12 1 1 A 73 73 ILE H H 79 8.623 9.128 -0.505 1 1 810 . 12 1 1 A 73 73 ILE HA H 79 4.334 4.909 -0.575 1 1 820 . 12 1 1 A 73 73 ILE C C 79 173.961 174.856 -0.895 1 1 821 . 12 1 1 A 73 73 ILE CA C 79 61.222 59.051 2.171 1 1 822 . 12 1 1 A 73 73 ILE CB C 79 41.918 42.121 -0.203 1 1 826 . 12 1 1 A 73 73 ILE N N 79 119.750 117.065 2.685 1 1 827 . 12 1 1 A 74 74 ARG H H 80 9.052 8.146 0.906 1 1 828 . 12 1 1 A 74 74 ARG HA H 80 5.311 5.035 0.276 1 1 835 . 12 1 1 A 74 74 ARG C C 80 174.870 175.188 -0.318 1 1 836 . 12 1 1 A 74 74 ARG CA C 80 54.449 55.511 -1.062 1 1 837 . 12 1 1 A 74 74 ARG CB C 80 33.740 32.771 0.969 1 1 840 . 12 1 1 A 74 74 ARG N N 80 128.407 122.183 6.224 1 1 841 . 12 1 1 A 75 75 GLN H H 81 9.304 8.345 0.959 1 1 842 . 12 1 1 A 75 75 GLN HA H 81 5.562 5.014 0.548 1 1 849 . 12 1 1 A 75 75 GLN C C 81 173.678 174.105 -0.427 1 1 850 . 12 1 1 A 75 75 GLN CA C 81 53.745 55.402 -1.657 1 1 851 . 12 1 1 A 75 75 GLN CB C 81 34.013 31.881 2.132 1 1 853 . 12 1 1 A 75 75 GLN N N 81 125.481 121.501 3.980 1 1 855 . 12 1 1 A 76 76 ILE H H 82 8.592 8.701 -0.109 1 1 856 . 12 1 1 A 76 76 ILE HA H 82 4.576 4.800 -0.224 1 1 866 . 12 1 1 A 76 76 ILE C C 82 172.511 174.143 -1.632 1 1 867 . 12 1 1 A 76 76 ILE CA C 82 59.622 59.049 0.573 1 1 868 . 12 1 1 A 76 76 ILE CB C 82 42.248 41.680 0.568 1 1 872 . 12 1 1 A 76 76 ILE N N 82 115.536 125.183 -9.647 1 1 873 . 12 1 1 A 77 77 GLU H H 83 8.433 8.542 -0.109 1 1 874 . 12 1 1 A 77 77 GLU HA H 83 4.936 5.092 -0.156 1 1 879 . 12 1 1 A 77 77 GLU C C 83 175.614 175.627 -0.013 1 1 880 . 12 1 1 A 77 77 GLU CA C 83 54.812 55.696 -0.884 1 1 881 . 12 1 1 A 77 77 GLU CB C 83 30.465 31.249 -0.784 1 1 883 . 12 1 1 A 77 77 GLU N N 83 124.858 126.024 -1.166 1 1 884 . 12 1 1 A 78 78 VAL H H 84 8.879 8.918 -0.039 1 1 885 . 12 1 1 A 78 78 VAL HA H 84 4.076 4.450 -0.374 1 1 893 . 12 1 1 A 78 78 VAL C C 84 175.694 176.086 -0.392 1 1 894 . 12 1 1 A 78 78 VAL CA C 84 61.382 61.120 0.262 1 1 895 . 12 1 1 A 78 78 VAL CB C 84 34.014 33.285 0.729 1 1 897 . 12 1 1 A 78 78 VAL N N 84 126.973 124.563 2.410 1 1 898 . 12 1 1 A 79 79 ASP H H 85 9.329 9.244 0.085 1 1 899 . 12 1 1 A 79 79 ASP HA H 85 4.156 4.270 -0.114 1 1 902 . 12 1 1 A 79 79 ASP C C 85 175.774 175.703 0.071 1 1 903 . 12 1 1 A 79 79 ASP CA C 85 55.125 55.135 -0.010 1 1 904 . 12 1 1 A 79 79 ASP CB C 85 38.926 39.725 -0.799 1 1 905 . 12 1 1 A 79 79 ASP N N 85 129.387 128.098 1.289 1 1 906 . 12 1 1 A 80 80 GLY H H 86 8.575 8.696 -0.121 1 1 907 . 12 1 1 A 80 80 GLY HA2 H 86 3.992 3.874 0.118 1 1 908 . 12 1 1 A 80 80 GLY HA3 H 86 3.507 3.875 -0.368 1 1 909 . 12 1 1 A 80 80 GLY C C 86 173.366 173.851 -0.485 1 1 910 . 12 1 1 A 80 80 GLY CA C 86 44.759 45.787 -1.028 1 1 911 . 12 1 1 A 80 80 GLY N N 86 103.293 104.130 -0.837 1 1 912 . 12 1 1 A 81 81 GLN H H 87 7.751 8.112 -0.361 1 1 913 . 12 1 1 A 81 81 GLN HA H 87 4.482 4.935 -0.453 1 1 918 . 12 1 1 A 81 81 GLN C C 87 173.874 174.450 -0.576 1 1 919 . 12 1 1 A 81 81 GLN CA C 87 53.328 53.888 -0.560 1 1 920 . 12 1 1 A 81 81 GLN CB C 87 30.670 32.269 -1.599 1 1 922 . 12 1 1 A 81 81 GLN N N 87 119.688 118.902 0.786 1 1 923 . 12 1 1 A 82 82 LEU H H 88 8.418 8.715 -0.297 1 1 924 . 12 1 1 A 82 82 LEU HA H 88 4.630 5.264 -0.634 1 1 934 . 12 1 1 A 82 82 LEU C C 88 176.289 175.990 0.299 1 1 935 . 12 1 1 A 82 82 LEU CA C 88 53.834 53.407 0.427 1 1 936 . 12 1 1 A 82 82 LEU CB C 88 41.737 44.753 -3.016 1 1 940 . 12 1 1 A 82 82 LEU N N 88 123.523 121.762 1.761 1 1 941 . 12 1 1 A 83 83 ILE H H 89 9.146 8.505 0.641 1 1 942 . 12 1 1 A 83 83 ILE HA H 89 4.249 5.000 -0.751 1 1 952 . 12 1 1 A 83 83 ILE C C 89 175.698 175.302 0.396 1 1 953 . 12 1 1 A 83 83 ILE CA C 89 59.363 59.889 -0.526 1 1 954 . 12 1 1 A 83 83 ILE CB C 89 39.633 41.528 -1.895 1 1 958 . 12 1 1 A 83 83 ILE N N 89 127.151 122.712 4.439 1 1 959 . 12 1 1 A 84 84 THR H H 90 8.656 8.916 -0.260 1 1 960 . 12 1 1 A 84 84 THR HA H 90 4.203 4.727 -0.524 1 1 965 . 12 1 1 A 84 84 THR C C 90 172.890 174.341 -1.451 1 1 966 . 12 1 1 A 84 84 THR CA C 90 62.641 60.657 1.984 1 1 967 . 12 1 1 A 84 84 THR CB C 90 68.634 69.335 -0.701 1 1 969 . 12 1 1 A 84 84 THR N N 90 123.099 123.042 0.057 1 1 970 . 12 1 1 A 85 85 LEU H H 91 8.967 7.862 1.105 1 1 971 . 12 1 1 A 85 85 LEU HA H 91 4.256 4.555 -0.299 1 1 980 . 12 1 1 A 85 85 LEU C C 91 177.371 175.947 1.424 1 1 981 . 12 1 1 A 85 85 LEU CA C 91 55.527 54.267 1.260 1 1 982 . 12 1 1 A 85 85 LEU CB C 91 44.315 43.060 1.255 1 1 984 . 12 1 1 A 85 85 LEU N N 91 125.333 122.209 3.124 1 1 985 . 12 1 1 A 86 86 GLU H H 92 7.503 7.735 -0.232 1 1 986 . 12 1 1 A 86 86 GLU HA H 92 5.026 4.858 0.168 1 1 991 . 12 1 1 A 86 86 GLU C C 92 172.723 175.611 -2.888 1 1 992 . 12 1 1 A 86 86 GLU CA C 92 54.670 55.278 -0.608 1 1 993 . 12 1 1 A 86 86 GLU CB C 92 33.717 31.304 2.413 1 1 995 . 12 1 1 A 86 86 GLU N N 92 116.655 120.150 -3.495 1 1 996 . 12 1 1 A 87 87 SER H H 93 8.954 8.687 0.267 1 1 997 . 12 1 1 A 87 87 SER HA H 93 4.245 5.065 -0.820 1 1 1000 . 12 1 1 A 87 87 SER C C 93 172.763 173.350 -0.587 1 1 1001 . 12 1 1 A 87 87 SER CA C 93 57.328 56.081 1.247 1 1 1002 . 12 1 1 A 87 87 SER CB C 93 65.493 66.115 -0.622 1 1 1003 . 12 1 1 A 87 87 SER N N 93 117.941 117.909 0.032 1 1 1004 . 12 1 1 A 88 88 GLY H H 94 6.932 7.564 -0.632 1 1 1005 . 12 1 1 A 88 88 GLY HA2 H 94 3.694 4.123 -0.429 1 1 1006 . 12 1 1 A 88 88 GLY HA3 H 94 3.694 4.197 -0.503 1 1 1007 . 12 1 1 A 88 88 GLY C C 94 171.117 171.878 -0.761 1 1 1008 . 12 1 1 A 88 88 GLY CA C 94 46.575 45.691 0.884 1 1 1009 . 12 1 1 A 88 88 GLY N N 94 108.625 106.964 1.661 1 1 1010 . 12 1 1 A 89 89 GLU H H 95 9.669 8.893 0.776 1 1 1011 . 12 1 1 A 89 89 GLU HA H 95 5.642 5.164 0.478 1 1 1016 . 12 1 1 A 89 89 GLU C C 95 173.226 175.504 -2.278 1 1 1017 . 12 1 1 A 89 89 GLU CA C 95 54.786 54.804 -0.018 1 1 1018 . 12 1 1 A 89 89 GLU CB C 95 34.334 32.934 1.400 1 1 1020 . 12 1 1 A 89 89 GLU N N 95 128.231 120.600 7.631 1 1 1021 . 12 1 1 A 90 90 PHE H H 96 10.365 8.976 1.389 1 1 1022 . 12 1 1 A 90 90 PHE HA H 96 5.048 4.722 0.326 1 1 1029 . 12 1 1 A 90 90 PHE C C 96 173.039 172.986 0.053 1 1 1030 . 12 1 1 A 90 90 PHE CA C 96 54.616 57.879 -3.263 1 1 1031 . 12 1 1 A 90 90 PHE CB C 96 42.090 41.561 0.529 1 1 1032 . 12 1 1 A 90 90 PHE N N 96 131.583 122.968 8.615 1 1 1033 . 12 1 1 A 91 91 GLN H H 97 8.685 8.676 0.009 1 1 1034 . 12 1 1 A 91 91 GLN HA H 97 4.959 4.654 0.305 1 1 1041 . 12 1 1 A 91 91 GLN C C 97 174.151 174.573 -0.422 1 1 1042 . 12 1 1 A 91 91 GLN CA C 97 53.174 54.524 -1.350 1 1 1043 . 12 1 1 A 91 91 GLN CB C 97 28.812 29.779 -0.967 1 1 1045 . 12 1 1 A 91 91 GLN N N 97 126.465 128.172 -1.707 1 1 1047 . 12 1 1 A 92 92 VAL H H 98 8.675 8.568 0.107 1 1 1048 . 12 1 1 A 92 92 VAL HA H 98 4.569 4.506 0.063 1 1 1056 . 12 1 1 A 92 92 VAL C C 98 173.802 174.714 -0.912 1 1 1057 . 12 1 1 A 92 92 VAL CA C 98 59.715 61.144 -1.429 1 1 1058 . 12 1 1 A 92 92 VAL CB C 98 35.074 32.391 2.683 1 1 1061 . 12 1 1 A 92 92 VAL N N 98 118.841 126.558 -7.717 1 1 1062 . 12 1 1 A 93 93 TYR H H 99 8.896 8.947 -0.051 1 1 1063 . 12 1 1 A 93 93 TYR HA H 99 4.940 4.736 0.204 1 1 1070 . 12 1 1 A 93 93 TYR C C 99 173.330 175.202 -1.872 1 1 1071 . 12 1 1 A 93 93 TYR CA C 99 56.948 58.346 -1.398 1 1 1072 . 12 1 1 A 93 93 TYR CB C 99 40.780 39.508 1.272 1 1 1073 . 12 1 1 A 93 93 TYR N N 99 127.563 129.261 -1.698 1 1 1074 . 12 1 1 A 94 94 LYS H H 100 5.813 8.937 -3.124 1 1 1075 . 12 1 1 A 94 94 LYS HA H 100 4.248 5.025 -0.777 1 1 1082 . 12 1 1 A 94 94 LYS CA C 100 55.660 55.253 0.407 1 1 1083 . 12 1 1 A 94 94 LYS CB C 100 35.870 33.732 2.138 1 1 1084 . 12 1 1 A 94 94 LYS N N 100 128.378 125.089 3.289 1 1 1085 . 12 1 1 A 95 95 GLN H H 101 8.438 8.933 -0.495 1 1 1086 . 12 1 1 A 95 95 GLN HA H 101 5.028 4.959 0.069 1 1 1091 . 12 1 1 A 95 95 GLN C C 101 174.080 174.491 -0.411 1 1 1092 . 12 1 1 A 95 95 GLN CA C 101 54.043 54.175 -0.132 1 1 1093 . 12 1 1 A 95 95 GLN CB C 101 27.209 32.425 -5.216 1 1 1095 . 12 1 1 A 95 95 GLN N N 101 125.809 125.851 -0.042 1 1 1096 . 12 1 1 A 96 96 SER H H 102 9.057 8.464 0.593 1 1 1097 . 12 1 1 A 96 96 SER HA H 102 3.041 3.960 -0.919 1 1 1100 . 12 1 1 A 96 96 SER CA C 102 62.985 60.341 2.644 1 1 1101 . 12 1 1 A 96 96 SER CB C 102 63.242 62.572 0.670 1 1 1102 . 12 1 1 A 96 96 SER N N 102 117.650 118.215 -0.565 1 1 1103 . 12 1 1 A 97 97 HIS H H 103 10.115 8.629 1.486 1 1 1104 . 12 1 1 A 97 97 HIS HA H 103 4.406 4.220 0.186 1 1 1109 . 12 1 1 A 97 97 HIS CA C 103 53.809 56.888 -3.079 1 1 1110 . 12 1 1 A 97 97 HIS CB C 103 30.329 27.481 2.848 1 1 1111 . 12 1 1 A 97 97 HIS N N 103 118.385 123.643 -5.258 1 1 1112 . 12 1 1 A 98 98 SER H H 104 7.241 7.517 -0.276 1 1 1113 . 12 1 1 A 98 98 SER HA H 104 4.406 4.808 -0.402 1 1 1116 . 12 1 1 A 98 98 SER CA C 104 56.712 56.872 -0.160 1 1 1117 . 12 1 1 A 98 98 SER CB C 104 65.461 65.364 0.097 1 1 1118 . 12 1 1 A 98 98 SER N N 104 112.298 113.829 -1.531 1 1 1119 . 12 1 1 A 99 99 ALA H H 105 8.418 8.674 -0.256 1 1 1120 . 12 1 1 A 99 99 ALA HA H 105 4.753 5.199 -0.446 1 1 1124 . 12 1 1 A 99 99 ALA C C 105 173.181 176.157 -2.976 1 1 1125 . 12 1 1 A 99 99 ALA CA C 105 51.363 51.612 -0.249 1 1 1126 . 12 1 1 A 99 99 ALA CB C 105 22.271 23.549 -1.278 1 1 1127 . 12 1 1 A 99 99 ALA N N 105 116.790 125.333 -8.543 1 1 1128 . 12 1 1 A 100 100 LEU H H 106 8.376 8.716 -0.340 1 1 1129 . 12 1 1 A 100 100 LEU HA H 106 5.549 5.256 0.293 1 1 1139 . 12 1 1 A 100 100 LEU C C 106 175.338 174.881 0.457 1 1 1140 . 12 1 1 A 100 100 LEU CA C 106 53.753 53.512 0.241 1 1 1141 . 12 1 1 A 100 100 LEU CB C 106 46.393 46.259 0.134 1 1 1145 . 12 1 1 A 100 100 LEU N N 106 115.214 116.990 -1.776 1 1 1146 . 12 1 1 A 101 101 THR H H 107 8.685 8.350 0.335 1 1 1147 . 12 1 1 A 101 101 THR HA H 107 5.287 4.967 0.320 1 1 1152 . 12 1 1 A 101 101 THR C C 107 172.493 172.898 -0.405 1 1 1153 . 12 1 1 A 101 101 THR CA C 107 57.069 59.252 -2.183 1 1 1154 . 12 1 1 A 101 101 THR CB C 107 71.308 71.794 -0.486 1 1 1156 . 12 1 1 A 101 101 THR N N 107 109.441 115.207 -5.766 1 1 1157 . 12 1 1 A 102 102 ALA H H 108 8.459 8.418 0.041 1 1 1158 . 12 1 1 A 102 102 ALA HA H 108 4.366 5.186 -0.820 1 1 1162 . 12 1 1 A 102 102 ALA C C 108 173.439 175.738 -2.299 1 1 1163 . 12 1 1 A 102 102 ALA CA C 108 51.015 50.819 0.196 1 1 1164 . 12 1 1 A 102 102 ALA CB C 108 23.424 23.363 0.061 1 1 1165 . 12 1 1 A 102 102 ALA N N 108 120.716 126.557 -5.841 1 1 1166 . 12 1 1 A 103 103 PHE H H 109 8.510 9.161 -0.651 1 1 1167 . 12 1 1 A 103 103 PHE HA H 109 4.715 5.111 -0.396 1 1 1175 . 12 1 1 A 103 103 PHE C C 109 174.173 175.196 -1.023 1 1 1176 . 12 1 1 A 103 103 PHE CA C 109 56.640 56.978 -0.338 1 1 1177 . 12 1 1 A 103 103 PHE CB C 109 41.926 41.333 0.593 1 1 1178 . 12 1 1 A 103 103 PHE N N 109 115.041 119.960 -4.919 1 1 1179 . 12 1 1 A 104 104 GLN H H 110 9.832 8.595 1.237 1 1 1180 . 12 1 1 A 104 104 GLN HA H 110 5.226 4.794 0.432 1 1 1187 . 12 1 1 A 104 104 GLN C C 110 175.186 174.464 0.722 1 1 1188 . 12 1 1 A 104 104 GLN CA C 110 53.213 54.438 -1.225 1 1 1189 . 12 1 1 A 104 104 GLN CB C 110 29.161 32.528 -3.367 1 1 1191 . 12 1 1 A 104 104 GLN N N 110 124.526 120.088 4.438 1 1 1193 . 12 1 1 A 105 105 THR H H 111 9.566 8.656 0.910 1 1 1194 . 12 1 1 A 105 105 THR HA H 111 4.186 5.057 -0.871 1 1 1199 . 12 1 1 A 105 105 THR C C 111 174.538 173.135 1.403 1 1 1200 . 12 1 1 A 105 105 THR CA C 111 66.408 59.868 6.540 1 1 1201 . 12 1 1 A 105 105 THR CB C 111 69.385 70.856 -1.471 1 1 1203 . 12 1 1 A 105 105 THR N N 111 126.760 115.705 11.055 1 1 1204 . 12 1 1 A 106 106 GLU H H 112 9.303 9.062 0.241 1 1 1205 . 12 1 1 A 106 106 GLU HA H 112 4.811 4.625 0.186 1 1 1210 . 12 1 1 A 106 106 GLU C C 112 177.397 176.275 1.122 1 1 1211 . 12 1 1 A 106 106 GLU CA C 112 56.227 57.084 -0.857 1 1 1212 . 12 1 1 A 106 106 GLU CB C 112 31.283 31.870 -0.587 1 1 1214 . 12 1 1 A 106 106 GLU N N 112 121.685 123.793 -2.108 1 1 1215 . 12 1 1 A 107 107 GLN H H 113 7.954 8.141 -0.187 1 1 1216 . 12 1 1 A 107 107 GLN HA H 113 5.233 5.158 0.075 1 1 1221 . 12 1 1 A 107 107 GLN C C 113 173.999 174.786 -0.787 1 1 1222 . 12 1 1 A 107 107 GLN CA C 113 53.837 54.227 -0.390 1 1 1223 . 12 1 1 A 107 107 GLN CB C 113 32.543 31.887 0.656 1 1 1225 . 12 1 1 A 107 107 GLN N N 113 117.612 117.582 0.030 1 1 1226 . 12 1 1 A 108 108 ILE H H 114 8.969 8.807 0.162 1 1 1227 . 12 1 1 A 108 108 ILE HA H 114 4.907 4.798 0.109 1 1 1237 . 12 1 1 A 108 108 ILE C C 114 174.089 174.621 -0.532 1 1 1238 . 12 1 1 A 108 108 ILE CA C 114 58.954 58.651 0.303 1 1 1239 . 12 1 1 A 108 108 ILE CB C 114 42.799 41.965 0.834 1 1 1243 . 12 1 1 A 108 108 ILE N N 114 115.049 121.106 -6.057 1 1 1244 . 12 1 1 A 109 109 GLN H H 115 7.421 8.345 -0.924 1 1 1245 . 12 1 1 A 109 109 GLN HA H 115 4.405 4.659 -0.254 1 1 1252 . 12 1 1 A 109 109 GLN C C 115 175.654 174.635 1.019 1 1 1253 . 12 1 1 A 109 109 GLN CA C 115 56.086 55.837 0.249 1 1 1254 . 12 1 1 A 109 109 GLN CB C 115 28.483 29.672 -1.189 1 1 1256 . 12 1 1 A 109 109 GLN N N 115 121.959 121.948 0.011 1 1 1258 . 12 1 1 A 110 110 ASP H H 116 8.569 8.781 -0.212 1 1 1259 . 12 1 1 A 110 110 ASP HA H 116 4.377 5.026 -0.649 1 1 1262 . 12 1 1 A 110 110 ASP C C 116 176.662 176.561 0.101 1 1 1263 . 12 1 1 A 110 110 ASP CA C 116 53.511 53.123 0.388 1 1 1264 . 12 1 1 A 110 110 ASP CB C 116 41.187 43.551 -2.364 1 1 1265 . 12 1 1 A 110 110 ASP N N 116 125.621 125.975 -0.354 1 1 1266 . 12 1 1 A 111 111 SER H H 117 8.445 8.995 -0.550 1 1 1267 . 12 1 1 A 111 111 SER HA H 117 4.024 4.442 -0.418 1 1 1270 . 12 1 1 A 111 111 SER C C 117 174.783 176.535 -1.752 1 1 1271 . 12 1 1 A 111 111 SER CA C 117 60.782 60.081 0.701 1 1 1272 . 12 1 1 A 111 111 SER CB C 117 62.560 63.502 -0.942 1 1 1273 . 12 1 1 A 111 111 SER N N 117 120.732 121.468 -0.736 1 1 1274 . 12 1 1 A 112 112 GLU H H 118 8.246 8.820 -0.574 1 1 1275 . 12 1 1 A 112 112 GLU HA H 118 4.044 4.203 -0.159 1 1 1280 . 12 1 1 A 112 112 GLU C C 118 175.899 176.919 -1.020 1 1 1281 . 12 1 1 A 112 112 GLU CA C 118 56.016 58.933 -2.917 1 1 1282 . 12 1 1 A 112 112 GLU CB C 118 29.853 29.041 0.812 1 1 1284 . 12 1 1 A 112 112 GLU N N 118 119.367 120.253 -0.886 1 1 1285 . 12 1 1 A 113 113 HIS H H 119 7.418 7.912 -0.494 1 1 1286 . 12 1 1 A 113 113 HIS HA H 119 4.607 4.759 -0.152 1 1 1291 . 12 1 1 A 113 113 HIS C C 119 173.527 175.093 -1.566 1 1 1292 . 12 1 1 A 113 113 HIS CA C 119 54.515 55.166 -0.651 1 1 1293 . 12 1 1 A 113 113 HIS CB C 119 28.667 30.015 -1.348 1 1 1294 . 12 1 1 A 113 113 HIS N N 119 117.287 119.109 -1.822 1 1 1295 . 12 1 1 A 114 114 SER H H 120 8.398 8.291 0.107 1 1 1296 . 12 1 1 A 114 114 SER HA H 120 4.183 4.131 0.052 1 1 1299 . 12 1 1 A 114 114 SER C C 120 175.690 174.654 1.036 1 1 1300 . 12 1 1 A 114 114 SER CA C 120 59.149 59.038 0.111 1 1 1301 . 12 1 1 A 114 114 SER CB C 120 62.820 60.958 1.862 1 1 1302 . 12 1 1 A 114 114 SER N N 120 116.771 115.511 1.260 1 1 1303 . 12 1 1 A 115 115 GLY H H 121 8.733 8.009 0.724 1 1 1304 . 12 1 1 A 115 115 GLY HA2 H 121 4.052 4.081 -0.029 1 1 1305 . 12 1 1 A 115 115 GLY HA3 H 121 3.724 4.089 -0.365 1 1 1306 . 12 1 1 A 115 115 GLY C C 121 173.540 173.792 -0.252 1 1 1307 . 12 1 1 A 115 115 GLY CA C 121 44.692 45.090 -0.398 1 1 1308 . 12 1 1 A 115 115 GLY N N 121 112.197 109.278 2.919 1 1 1309 . 12 1 1 A 116 116 LYS H H 122 7.796 7.852 -0.056 1 1 1310 . 12 1 1 A 116 116 LYS HA H 122 4.465 4.824 -0.359 1 1 1317 . 12 1 1 A 116 116 LYS C C 122 175.090 174.962 0.128 1 1 1318 . 12 1 1 A 116 116 LYS CA C 122 55.122 54.252 0.870 1 1 1319 . 12 1 1 A 116 116 LYS CB C 122 33.861 35.788 -1.927 1 1 1322 . 12 1 1 A 116 116 LYS N N 122 120.212 119.415 0.797 1 1 1323 . 12 1 1 A 117 117 MET H H 123 8.348 9.101 -0.753 1 1 1324 . 12 1 1 A 117 117 MET HA H 123 5.082 5.555 -0.473 1 1 1332 . 12 1 1 A 117 117 MET C C 123 176.210 174.757 1.453 1 1 1333 . 12 1 1 A 117 117 MET CA C 123 52.928 53.269 -0.341 1 1 1334 . 12 1 1 A 117 117 MET CB C 123 33.841 36.070 -2.229 1 1 1337 . 12 1 1 A 117 117 MET N N 123 119.755 117.199 2.556 1 1 1338 . 12 1 1 A 118 118 VAL H H 124 9.242 8.684 0.558 1 1 1339 . 12 1 1 A 118 118 VAL HA H 124 4.469 5.055 -0.586 1 1 1347 . 12 1 1 A 118 118 VAL C C 124 173.967 173.884 0.083 1 1 1348 . 12 1 1 A 118 118 VAL CA C 124 59.056 58.998 0.058 1 1 1349 . 12 1 1 A 118 118 VAL CB C 124 34.376 35.857 -1.481 1 1 1351 . 12 1 1 A 118 118 VAL N N 124 118.546 114.250 4.296 1 1 1352 . 12 1 1 A 119 119 ALA H H 125 8.327 8.905 -0.578 1 1 1353 . 12 1 1 A 119 119 ALA HA H 125 4.624 5.492 -0.868 1 1 1357 . 12 1 1 A 119 119 ALA C C 125 177.165 175.868 1.297 1 1 1358 . 12 1 1 A 119 119 ALA CA C 125 52.043 50.376 1.667 1 1 1359 . 12 1 1 A 119 119 ALA CB C 125 18.232 20.849 -2.617 1 1 1360 . 12 1 1 A 119 119 ALA N N 125 125.947 124.433 1.514 1 1 1361 . 12 1 1 A 120 120 LYS H H 126 7.604 8.935 -1.331 1 1 1362 . 12 1 1 A 120 120 LYS HA H 126 4.046 5.010 -0.964 1 1 1371 . 12 1 1 A 120 120 LYS C C 126 172.631 175.216 -2.585 1 1 1372 . 12 1 1 A 120 120 LYS CA C 126 56.023 54.569 1.454 1 1 1373 . 12 1 1 A 120 120 LYS CB C 126 34.482 35.021 -0.539 1 1 1377 . 12 1 1 A 120 120 LYS N N 126 126.149 121.511 4.638 1 1 1378 . 12 1 1 A 121 121 ARG H H 127 8.308 8.703 -0.395 1 1 1379 . 12 1 1 A 121 121 ARG HA H 127 4.901 4.453 0.448 1 1 1384 . 12 1 1 A 121 121 ARG C C 127 176.253 175.187 1.066 1 1 1385 . 12 1 1 A 121 121 ARG CA C 127 55.564 56.415 -0.851 1 1 1386 . 12 1 1 A 121 121 ARG CB C 127 28.273 29.320 -1.047 1 1 1388 . 12 1 1 A 121 121 ARG N N 127 122.760 124.053 -1.293 1 1 1389 . 12 1 1 A 122 122 GLN H H 128 7.529 8.843 -1.314 1 1 1390 . 12 1 1 A 122 122 GLN HA H 128 4.541 5.015 -0.474 1 1 1397 . 12 1 1 A 122 122 GLN C C 128 172.163 174.927 -2.764 1 1 1398 . 12 1 1 A 122 122 GLN CA C 128 54.218 54.483 -0.265 1 1 1399 . 12 1 1 A 122 122 GLN CB C 128 32.064 30.148 1.916 1 1 1401 . 12 1 1 A 122 122 GLN N N 128 121.022 124.236 -3.214 1 1 1403 . 12 1 1 A 123 123 PHE H H 129 8.620 9.147 -0.527 1 1 1404 . 12 1 1 A 123 123 PHE HA H 129 6.040 5.080 0.960 1 1 1411 . 12 1 1 A 123 123 PHE C C 129 174.530 175.285 -0.755 1 1 1412 . 12 1 1 A 123 123 PHE CA C 129 56.026 57.985 -1.959 1 1 1413 . 12 1 1 A 123 123 PHE CB C 129 42.143 40.738 1.405 1 1 1414 . 12 1 1 A 123 123 PHE N N 129 125.540 126.414 -0.874 1 1 1415 . 12 1 1 A 124 124 ARG H H 130 8.018 8.407 -0.389 1 1 1416 . 12 1 1 A 124 124 ARG HA H 130 4.366 4.248 0.118 1 1 1423 . 12 1 1 A 124 124 ARG C C 130 172.139 173.911 -1.772 1 1 1424 . 12 1 1 A 124 124 ARG CA C 130 53.422 54.839 -1.417 1 1 1425 . 12 1 1 A 124 124 ARG CB C 130 32.310 34.233 -1.923 1 1 1428 . 12 1 1 A 124 124 ARG N N 130 125.264 120.820 4.444 1 1 1429 . 12 1 1 A 125 125 ILE H H 131 8.462 8.029 0.433 1 1 1430 . 12 1 1 A 125 125 ILE HA H 131 3.883 4.471 -0.588 1 1 1440 . 12 1 1 A 125 125 ILE C C 131 175.487 174.923 0.564 1 1 1441 . 12 1 1 A 125 125 ILE CA C 131 58.339 61.726 -3.387 1 1 1442 . 12 1 1 A 125 125 ILE CB C 131 35.673 39.161 -3.488 1 1 1446 . 12 1 1 A 125 125 ILE N N 131 121.887 125.801 -3.914 1 1 1447 . 12 1 1 A 126 126 GLY H H 132 8.814 8.175 0.639 1 1 1448 . 12 1 1 A 126 126 GLY HA2 H 132 4.062 4.362 -0.300 1 1 1449 . 12 1 1 A 126 126 GLY HA3 H 132 4.062 4.387 -0.325 1 1 1450 . 12 1 1 A 126 126 GLY C C 132 171.583 172.874 -1.291 1 1 1451 . 12 1 1 A 126 126 GLY CA C 132 44.157 44.263 -0.106 1 1 1452 . 12 1 1 A 126 126 GLY N N 132 115.675 114.790 0.885 1 1 1453 . 12 1 1 A 127 127 ASP H H 133 7.914 8.538 -0.624 1 1 1454 . 12 1 1 A 127 127 ASP HA H 133 4.584 4.995 -0.411 1 1 1457 . 12 1 1 A 127 127 ASP C C 133 174.132 175.556 -1.424 1 1 1458 . 12 1 1 A 127 127 ASP CA C 133 54.822 54.122 0.700 1 1 1459 . 12 1 1 A 127 127 ASP CB C 133 45.407 42.326 3.081 1 1 1460 . 12 1 1 A 127 127 ASP N N 133 123.737 119.374 4.363 1 1 1461 . 12 1 1 A 128 128 ILE H H 134 8.258 8.432 -0.174 1 1 1462 . 12 1 1 A 128 128 ILE HA H 134 4.392 4.734 -0.342 1 1 1472 . 12 1 1 A 128 128 ILE C C 134 174.799 174.799 0.000 1 1 1473 . 12 1 1 A 128 128 ILE CA C 134 61.596 60.286 1.310 1 1 1474 . 12 1 1 A 128 128 ILE CB C 134 37.549 39.342 -1.793 1 1 1478 . 12 1 1 A 128 128 ILE N N 134 119.105 120.922 -1.817 1 1 1479 . 12 1 1 A 129 129 ALA H H 135 8.607 8.889 -0.282 1 1 1480 . 12 1 1 A 129 129 ALA HA H 135 4.757 5.463 -0.706 1 1 1484 . 12 1 1 A 129 129 ALA C C 135 173.358 176.496 -3.138 1 1 1485 . 12 1 1 A 129 129 ALA CA C 135 50.608 50.260 0.348 1 1 1486 . 12 1 1 A 129 129 ALA CB C 135 23.348 22.451 0.897 1 1 1487 . 12 1 1 A 129 129 ALA N N 135 129.336 130.371 -1.035 1 1 1488 . 12 1 1 A 130 130 GLY H H 136 7.514 8.232 -0.718 1 1 1489 . 12 1 1 A 130 130 GLY HA2 H 136 3.551 2.850 0.701 1 1 1490 . 12 1 1 A 130 130 GLY HA3 H 136 4.422 3.833 0.589 1 1 1491 . 12 1 1 A 130 130 GLY C C 136 172.609 171.611 0.998 1 1 1492 . 12 1 1 A 130 130 GLY CA C 136 44.315 45.139 -0.824 1 1 1493 . 12 1 1 A 130 130 GLY N N 136 101.232 107.889 -6.657 1 1 1494 . 12 1 1 A 131 131 GLU H H 137 8.225 8.160 0.065 1 1 1495 . 12 1 1 A 131 131 GLU HA H 137 4.540 4.455 0.085 1 1 1500 . 12 1 1 A 131 131 GLU C C 137 174.864 176.167 -1.303 1 1 1501 . 12 1 1 A 131 131 GLU CA C 137 53.120 56.483 -3.363 1 1 1502 . 12 1 1 A 131 131 GLU CB C 137 28.254 30.244 -1.990 1 1 1504 . 12 1 1 A 131 131 GLU N N 137 121.002 120.591 0.411 1 1 1505 . 12 1 1 A 132 132 HIS H H 138 8.054 8.856 -0.802 1 1 1506 . 12 1 1 A 132 132 HIS HA H 138 4.771 5.096 -0.325 1 1 1511 . 12 1 1 A 132 132 HIS C C 138 175.411 175.178 0.233 1 1 1512 . 12 1 1 A 132 132 HIS CA C 138 57.942 56.327 1.615 1 1 1513 . 12 1 1 A 132 132 HIS CB C 138 27.710 30.854 -3.144 1 1 1514 . 12 1 1 A 132 132 HIS N N 138 124.204 122.181 2.023 1 1 1515 . 12 1 1 A 133 133 THR H H 139 9.056 8.632 0.424 1 1 1516 . 12 1 1 A 133 133 THR HA H 139 3.864 4.714 -0.850 1 1 1521 . 12 1 1 A 133 133 THR C C 139 174.178 174.612 -0.434 1 1 1522 . 12 1 1 A 133 133 THR CA C 139 63.225 61.602 1.623 1 1 1523 . 12 1 1 A 133 133 THR CB C 139 68.127 69.901 -1.774 1 1 1525 . 12 1 1 A 133 133 THR N N 139 125.345 119.615 5.730 1 1 1526 . 12 1 1 A 134 134 SER H H 140 8.834 8.720 0.114 1 1 1527 . 12 1 1 A 134 134 SER HA H 140 4.560 4.330 0.230 1 1 1530 . 12 1 1 A 134 134 SER C C 140 176.713 176.259 0.454 1 1 1531 . 12 1 1 A 134 134 SER CA C 140 57.961 60.296 -2.335 1 1 1532 . 12 1 1 A 134 134 SER CB C 140 63.030 63.406 -0.376 1 1 1533 . 12 1 1 A 134 134 SER N N 140 121.791 122.176 -0.385 1 1 1534 . 12 1 1 A 135 135 PHE H H 141 9.597 8.053 1.544 1 1 1535 . 12 1 1 A 135 135 PHE HA H 141 3.953 4.318 -0.365 1 1 1542 . 12 1 1 A 135 135 PHE C C 141 175.375 176.410 -1.035 1 1 1543 . 12 1 1 A 135 135 PHE CA C 141 61.339 59.949 1.390 1 1 1544 . 12 1 1 A 135 135 PHE CB C 141 39.394 38.088 1.306 1 1 1545 . 12 1 1 A 135 135 PHE N N 141 128.822 122.935 5.887 1 1 1546 . 12 1 1 A 136 136 ASP H H 142 8.017 8.024 -0.007 1 1 1547 . 12 1 1 A 136 136 ASP HA H 142 4.352 4.628 -0.276 1 1 1550 . 12 1 1 A 136 136 ASP C C 142 175.358 176.806 -1.448 1 1 1551 . 12 1 1 A 136 136 ASP CA C 142 55.223 55.648 -0.425 1 1 1552 . 12 1 1 A 136 136 ASP CB C 142 40.968 40.215 0.753 1 1 1553 . 12 1 1 A 136 136 ASP N N 142 113.108 120.659 -7.551 1 1 1554 . 12 1 1 A 137 137 LYS H H 143 7.340 7.666 -0.326 1 1 1555 . 12 1 1 A 137 137 LYS HA H 143 4.439 4.504 -0.065 1 1 1564 . 12 1 1 A 137 137 LYS C C 143 175.571 175.495 0.076 1 1 1565 . 12 1 1 A 137 137 LYS CA C 143 54.096 55.793 -1.697 1 1 1566 . 12 1 1 A 137 137 LYS CB C 143 32.545 34.091 -1.546 1 1 1570 . 12 1 1 A 137 137 LYS N N 143 117.716 118.018 -0.302 1 1 1571 . 12 1 1 A 138 138 LEU H H 144 6.698 7.413 -0.715 1 1 1572 . 12 1 1 A 138 138 LEU HA H 144 3.903 4.873 -0.970 1 1 1582 . 12 1 1 A 138 138 LEU C C 144 174.123 174.826 -0.703 1 1 1583 . 12 1 1 A 138 138 LEU CA C 144 52.843 51.215 1.628 1 1 1584 . 12 1 1 A 138 138 LEU CB C 144 40.993 44.872 -3.879 1 1 1588 . 12 1 1 A 138 138 LEU N N 144 120.536 119.900 0.636 1 1 1589 . 12 1 1 A 139 139 PRO HA H 145 4.040 4.764 -0.724 1 1 1596 . 12 1 1 A 139 139 PRO C C 145 172.700 176.597 -3.897 1 1 1597 . 12 1 1 A 139 139 PRO CA C 145 62.654 62.887 -0.233 1 1 1598 . 12 1 1 A 139 139 PRO CB C 145 30.086 32.511 -2.425 1 1 1601 . 12 1 1 A 140 140 GLU H H 146 8.343 8.648 -0.305 1 1 1602 . 12 1 1 A 140 140 GLU HA H 146 3.970 4.638 -0.668 1 1 1607 . 12 1 1 A 140 140 GLU C C 146 176.009 175.597 0.412 1 1 1608 . 12 1 1 A 140 140 GLU CA C 146 56.119 55.733 0.386 1 1 1609 . 12 1 1 A 140 140 GLU CB C 146 30.086 29.088 0.998 1 1 1611 . 12 1 1 A 140 140 GLU N N 146 119.063 121.269 -2.206 1 1 1612 . 12 1 1 A 141 141 GLY H H 147 7.241 7.781 -0.540 1 1 1613 . 12 1 1 A 141 141 GLY HA2 H 147 3.918 4.193 -0.275 1 1 1614 . 12 1 1 A 141 141 GLY HA3 H 147 3.814 4.207 -0.393 1 1 1615 . 12 1 1 A 141 141 GLY C C 147 171.657 172.680 -1.023 1 1 1616 . 12 1 1 A 141 141 GLY CA C 147 43.929 45.741 -1.812 1 1 1617 . 12 1 1 A 141 141 GLY N N 147 104.270 109.292 -5.022 1 1 1618 . 12 1 1 A 142 142 GLY H H 148 8.241 8.515 -0.274 1 1 1619 . 12 1 1 A 142 142 GLY HA2 H 148 3.710 4.022 -0.312 1 1 1620 . 12 1 1 A 142 142 GLY HA3 H 148 4.350 4.084 0.266 1 1 1621 . 12 1 1 A 142 142 GLY C C 148 171.767 172.547 -0.780 1 1 1622 . 12 1 1 A 142 142 GLY CA C 148 43.649 43.911 -0.262 1 1 1623 . 12 1 1 A 142 142 GLY N N 148 106.996 108.116 -1.120 1 1 1624 . 12 1 1 A 143 143 ARG H H 149 8.214 8.182 0.032 1 1 1625 . 12 1 1 A 143 143 ARG HA H 149 5.376 5.170 0.206 1 1 1632 . 12 1 1 A 143 143 ARG C C 149 174.981 174.108 0.873 1 1 1633 . 12 1 1 A 143 143 ARG CA C 149 54.235 54.044 0.191 1 1 1634 . 12 1 1 A 143 143 ARG CB C 149 32.988 33.777 -0.789 1 1 1637 . 12 1 1 A 143 143 ARG N N 149 117.762 116.394 1.368 1 1 1638 . 12 1 1 A 144 144 ALA H H 150 9.030 8.765 0.265 1 1 1639 . 12 1 1 A 144 144 ALA HA H 150 4.730 4.788 -0.058 1 1 1643 . 12 1 1 A 144 144 ALA C C 150 175.012 175.734 -0.722 1 1 1644 . 12 1 1 A 144 144 ALA CA C 150 50.732 50.133 0.599 1 1 1645 . 12 1 1 A 144 144 ALA CB C 150 23.448 20.749 2.699 1 1 1646 . 12 1 1 A 144 144 ALA N N 150 126.630 123.394 3.236 1 1 1647 . 12 1 1 A 145 145 THR H H 151 8.560 8.504 0.056 1 1 1648 . 12 1 1 A 145 145 THR HA H 151 4.846 4.523 0.323 1 1 1653 . 12 1 1 A 145 145 THR C C 151 171.870 173.705 -1.835 1 1 1654 . 12 1 1 A 145 145 THR CA C 151 61.997 62.929 -0.932 1 1 1655 . 12 1 1 A 145 145 THR CB C 151 69.746 69.506 0.240 1 1 1657 . 12 1 1 A 145 145 THR N N 151 117.942 118.272 -0.330 1 1 1658 . 12 1 1 A 146 146 TYR H H 152 10.008 8.902 1.106 1 1 1659 . 12 1 1 A 146 146 TYR HA H 152 4.580 5.269 -0.689 1 1 1666 . 12 1 1 A 146 146 TYR C C 152 174.627 174.441 0.186 1 1 1667 . 12 1 1 A 146 146 TYR CA C 152 55.835 56.178 -0.343 1 1 1668 . 12 1 1 A 146 146 TYR CB C 152 40.094 43.374 -3.280 1 1 1669 . 12 1 1 A 146 146 TYR N N 152 126.097 124.954 1.143 1 1 1670 . 12 1 1 A 147 147 ARG H H 153 8.860 9.156 -0.296 1 1 1671 . 12 1 1 A 147 147 ARG HA H 153 5.404 4.804 0.600 1 1 1678 . 12 1 1 A 147 147 ARG C C 153 177.446 175.349 2.097 1 1 1679 . 12 1 1 A 147 147 ARG CA C 153 54.024 55.032 -1.008 1 1 1680 . 12 1 1 A 147 147 ARG CB C 153 33.539 31.697 1.842 1 1 1683 . 12 1 1 A 147 147 ARG N N 153 121.042 124.069 -3.027 1 1 1684 . 12 1 1 A 148 148 GLY H H 154 8.916 8.667 0.249 1 1 1685 . 12 1 1 A 148 148 GLY HA2 H 154 4.816 3.914 0.902 1 1 1686 . 12 1 1 A 148 148 GLY HA3 H 154 4.422 4.019 0.403 1 1 1687 . 12 1 1 A 148 148 GLY C C 154 173.831 172.422 1.409 1 1 1688 . 12 1 1 A 148 148 GLY CA C 154 46.752 44.444 2.308 1 1 1689 . 12 1 1 A 148 148 GLY N N 154 114.154 113.727 0.427 1 1 1690 . 12 1 1 A 149 149 THR H H 155 9.063 8.864 0.199 1 1 1691 . 12 1 1 A 149 149 THR HA H 155 4.711 5.159 -0.448 1 1 1696 . 12 1 1 A 149 149 THR C C 155 170.370 173.796 -3.426 1 1 1697 . 12 1 1 A 149 149 THR CA C 155 62.316 61.188 1.128 1 1 1698 . 12 1 1 A 149 149 THR CB C 155 72.596 71.213 1.383 1 1 1700 . 12 1 1 A 149 149 THR N N 155 126.410 116.678 9.732 1 1 1701 . 12 1 1 A 150 150 ALA H H 156 7.091 9.152 -2.061 1 1 1702 . 12 1 1 A 150 150 ALA HA H 156 5.289 5.118 0.171 1 1 1706 . 12 1 1 A 150 150 ALA C C 156 173.965 176.230 -2.265 1 1 1707 . 12 1 1 A 150 150 ALA CA C 156 48.843 50.283 -1.440 1 1 1708 . 12 1 1 A 150 150 ALA CB C 156 22.573 21.499 1.074 1 1 1709 . 12 1 1 A 150 150 ALA N N 156 127.540 128.266 -0.726 1 1 1710 . 12 1 1 A 151 151 PHE H H 157 8.536 7.945 0.591 1 1 1711 . 12 1 1 A 151 151 PHE HA H 157 5.442 5.767 -0.325 1 1 1718 . 12 1 1 A 151 151 PHE C C 157 171.891 174.276 -2.385 1 1 1719 . 12 1 1 A 151 151 PHE CA C 157 53.282 55.425 -2.143 1 1 1720 . 12 1 1 A 151 151 PHE CB C 157 41.020 41.699 -0.679 1 1 1721 . 12 1 1 A 151 151 PHE N N 157 117.013 119.179 -2.166 1 1 1722 . 12 1 1 A 152 152 GLY H H 158 8.548 8.407 0.141 1 1 1723 . 12 1 1 A 152 152 GLY HA2 H 158 4.003 4.147 -0.144 1 1 1724 . 12 1 1 A 152 152 GLY HA3 H 158 3.124 4.156 -1.032 1 1 1725 . 12 1 1 A 152 152 GLY C C 158 173.148 174.465 -1.317 1 1 1726 . 12 1 1 A 152 152 GLY CA C 158 42.630 45.550 -2.920 1 1 1727 . 12 1 1 A 152 152 GLY N N 158 108.356 108.254 0.102 1 1 1728 . 12 1 1 A 153 153 SER H H 159 7.610 8.601 -0.991 1 1 1729 . 12 1 1 A 153 153 SER HA H 159 3.421 3.421 0.000 1 1 1732 . 12 1 1 A 153 153 SER C C 159 176.057 175.539 0.518 1 1 1733 . 12 1 1 A 153 153 SER CA C 159 58.787 59.377 -0.590 1 1 1734 . 12 1 1 A 153 153 SER CB C 159 61.886 62.441 -0.555 1 1 1735 . 12 1 1 A 153 153 SER N N 159 115.173 115.249 -0.076 1 1 1736 . 12 1 1 A 154 154 ASP H H 160 9.894 8.103 1.791 1 1 1737 . 12 1 1 A 154 154 ASP HA H 160 4.168 4.505 -0.337 1 1 1740 . 12 1 1 A 154 154 ASP C C 160 175.191 177.431 -2.240 1 1 1741 . 12 1 1 A 154 154 ASP CA C 160 55.398 56.074 -0.676 1 1 1742 . 12 1 1 A 154 154 ASP CB C 160 39.212 41.654 -2.442 1 1 1743 . 12 1 1 A 154 154 ASP N N 160 124.828 120.228 4.600 1 1 1744 . 12 1 1 A 155 155 ASP H H 161 7.520 7.749 -0.229 1 1 1745 . 12 1 1 A 155 155 ASP HA H 161 4.568 4.825 -0.257 1 1 1748 . 12 1 1 A 155 155 ASP C C 161 172.658 176.349 -3.691 1 1 1749 . 12 1 1 A 155 155 ASP CA C 161 54.342 53.819 0.523 1 1 1750 . 12 1 1 A 155 155 ASP CB C 161 40.619 43.306 -2.687 1 1 1751 . 12 1 1 A 155 155 ASP N N 161 116.749 114.370 2.379 1 1 1752 . 12 1 1 A 156 156 ALA H H 162 8.544 7.768 0.776 1 1 1753 . 12 1 1 A 156 156 ALA HA H 162 4.916 4.093 0.823 1 1 1757 . 12 1 1 A 156 156 ALA C C 162 177.708 177.787 -0.079 1 1 1758 . 12 1 1 A 156 156 ALA CA C 162 49.878 53.570 -3.692 1 1 1759 . 12 1 1 A 156 156 ALA CB C 162 17.473 17.689 -0.216 1 1 1760 . 12 1 1 A 156 156 ALA N N 162 128.246 120.508 7.738 1 1 1761 . 12 1 1 A 157 157 GLY H H 163 8.406 8.577 -0.171 1 1 1762 . 12 1 1 A 157 157 GLY HA2 H 163 4.286 4.116 0.170 1 1 1763 . 12 1 1 A 157 157 GLY HA3 H 163 3.894 4.118 -0.224 1 1 1764 . 12 1 1 A 157 157 GLY C C 163 174.344 174.539 -0.195 1 1 1765 . 12 1 1 A 157 157 GLY CA C 163 45.049 45.378 -0.329 1 1 1766 . 12 1 1 A 157 157 GLY N N 163 106.545 103.806 2.739 1 1 1767 . 12 1 1 A 158 158 GLY H H 164 7.128 7.935 -0.807 1 1 1768 . 12 1 1 A 158 158 GLY HA2 H 164 4.118 3.954 0.164 1 1 1769 . 12 1 1 A 158 158 GLY HA3 H 164 3.641 3.989 -0.348 1 1 1770 . 12 1 1 A 158 158 GLY C C 164 173.903 172.856 1.047 1 1 1771 . 12 1 1 A 158 158 GLY CA C 164 45.225 45.729 -0.504 1 1 1772 . 12 1 1 A 158 158 GLY N N 164 106.404 107.685 -1.281 1 1 1773 . 12 1 1 A 159 159 LYS H H 165 9.647 8.552 1.095 1 1 1774 . 12 1 1 A 159 159 LYS HA H 165 5.052 4.799 0.253 1 1 1781 . 12 1 1 A 159 159 LYS C C 165 174.390 175.513 -1.123 1 1 1782 . 12 1 1 A 159 159 LYS CA C 165 53.501 54.319 -0.818 1 1 1783 . 12 1 1 A 159 159 LYS CB C 165 34.622 35.029 -0.407 1 1 1786 . 12 1 1 A 159 159 LYS N N 165 123.930 124.023 -0.093 1 1 1787 . 12 1 1 A 160 160 LEU H H 166 7.706 8.198 -0.492 1 1 1788 . 12 1 1 A 160 160 LEU HA H 166 4.873 5.059 -0.186 1 1 1798 . 12 1 1 A 160 160 LEU C C 166 174.825 174.636 0.189 1 1 1799 . 12 1 1 A 160 160 LEU CA C 166 52.677 53.482 -0.805 1 1 1800 . 12 1 1 A 160 160 LEU CB C 166 44.629 45.931 -1.302 1 1 1804 . 12 1 1 A 160 160 LEU N N 166 126.271 119.559 6.712 1 1 1805 . 12 1 1 A 161 161 THR H H 167 8.374 8.459 -0.085 1 1 1806 . 12 1 1 A 161 161 THR HA H 167 4.949 4.896 0.053 1 1 1811 . 12 1 1 A 161 161 THR C C 167 172.102 173.641 -1.539 1 1 1812 . 12 1 1 A 161 161 THR CA C 167 61.761 62.372 -0.611 1 1 1813 . 12 1 1 A 161 161 THR CB C 167 70.169 70.225 -0.056 1 1 1815 . 12 1 1 A 161 161 THR N N 167 122.977 116.327 6.650 1 1 1816 . 12 1 1 A 162 162 TYR H H 168 9.174 9.127 0.047 1 1 1817 . 12 1 1 A 162 162 TYR HA H 168 4.766 5.385 -0.619 1 1 1824 . 12 1 1 A 162 162 TYR C C 168 172.249 175.169 -2.920 1 1 1825 . 12 1 1 A 162 162 TYR CA C 168 58.162 56.530 1.632 1 1 1826 . 12 1 1 A 162 162 TYR CB C 168 43.746 41.913 1.833 1 1 1827 . 12 1 1 A 162 162 TYR N N 168 128.112 126.146 1.966 1 1 1828 . 12 1 1 A 163 163 THR H H 169 8.711 8.322 0.389 1 1 1829 . 12 1 1 A 163 163 THR HA H 169 5.402 5.182 0.220 1 1 1834 . 12 1 1 A 163 163 THR C C 169 172.520 172.070 0.450 1 1 1835 . 12 1 1 A 163 163 THR CA C 169 60.804 60.349 0.455 1 1 1836 . 12 1 1 A 163 163 THR CB C 169 70.818 71.777 -0.959 1 1 1838 . 12 1 1 A 163 163 THR N N 169 124.549 115.206 9.343 1 1 1839 . 12 1 1 A 164 164 ILE H H 170 8.927 8.771 0.156 1 1 1840 . 12 1 1 A 164 164 ILE HA H 170 4.313 4.958 -0.645 1 1 1850 . 12 1 1 A 164 164 ILE C C 170 173.105 173.985 -0.880 1 1 1851 . 12 1 1 A 164 164 ILE CA C 170 60.595 59.746 0.849 1 1 1852 . 12 1 1 A 164 164 ILE CB C 170 41.274 41.431 -0.157 1 1 1856 . 12 1 1 A 164 164 ILE N N 170 123.685 126.990 -3.305 1 1 1857 . 12 1 1 A 165 165 ASP H H 171 8.372 8.635 -0.263 1 1 1858 . 12 1 1 A 165 165 ASP HA H 171 4.750 4.748 0.002 1 1 1861 . 12 1 1 A 165 165 ASP C C 171 177.213 176.080 1.133 1 1 1862 . 12 1 1 A 165 165 ASP CA C 171 51.669 54.830 -3.161 1 1 1863 . 12 1 1 A 165 165 ASP CB C 171 41.730 40.210 1.520 1 1 1864 . 12 1 1 A 165 165 ASP N N 171 125.168 129.180 -4.012 1 1 1865 . 12 1 1 A 166 166 PHE H H 172 8.968 8.429 0.539 1 1 1866 . 12 1 1 A 166 166 PHE HA H 172 3.879 4.196 -0.317 1 1 1874 . 12 1 1 A 166 166 PHE C C 172 176.940 178.102 -1.162 1 1 1875 . 12 1 1 A 166 166 PHE CA C 172 61.543 60.920 0.623 1 1 1876 . 12 1 1 A 166 166 PHE CB C 172 37.424 38.953 -1.529 1 1 1877 . 12 1 1 A 166 166 PHE N N 172 123.597 120.980 2.617 1 1 1878 . 12 1 1 A 167 167 ALA H H 173 8.266 7.732 0.534 1 1 1879 . 12 1 1 A 167 167 ALA HA H 173 4.322 4.371 -0.049 1 1 1883 . 12 1 1 A 167 167 ALA C C 173 178.888 177.539 1.349 1 1 1884 . 12 1 1 A 167 167 ALA CA C 173 54.458 53.851 0.607 1 1 1885 . 12 1 1 A 167 167 ALA CB C 173 17.591 18.555 -0.964 1 1 1886 . 12 1 1 A 167 167 ALA N N 173 122.113 121.356 0.757 1 1 1887 . 12 1 1 A 168 168 ALA H H 174 7.405 7.818 -0.413 1 1 1888 . 12 1 1 A 168 168 ALA HA H 174 4.096 4.461 -0.365 1 1 1892 . 12 1 1 A 168 168 ALA C C 174 176.605 177.420 -0.815 1 1 1893 . 12 1 1 A 168 168 ALA CA C 174 51.225 51.644 -0.419 1 1 1894 . 12 1 1 A 168 168 ALA CB C 174 18.307 21.034 -2.727 1 1 1895 . 12 1 1 A 168 168 ALA N N 174 118.760 120.115 -1.355 1 1 1896 . 12 1 1 A 169 169 LYS H H 175 7.906 7.794 0.112 1 1 1897 . 12 1 1 A 169 169 LYS HA H 175 3.391 3.748 -0.357 1 1 1904 . 12 1 1 A 169 169 LYS C C 175 174.608 175.195 -0.587 1 1 1905 . 12 1 1 A 169 169 LYS CA C 175 57.049 57.562 -0.513 1 1 1906 . 12 1 1 A 169 169 LYS CB C 175 30.051 29.105 0.946 1 1 1909 . 12 1 1 A 169 169 LYS N N 175 114.394 114.949 -0.555 1 1 1910 . 12 1 1 A 170 170 GLN H H 176 7.629 7.403 0.226 1 1 1911 . 12 1 1 A 170 170 GLN HA H 176 5.414 4.746 0.668 1 1 1918 . 12 1 1 A 170 170 GLN C C 176 174.325 174.853 -0.528 1 1 1919 . 12 1 1 A 170 170 GLN CA C 176 54.393 55.356 -0.963 1 1 1920 . 12 1 1 A 170 170 GLN CB C 176 34.771 29.335 5.436 1 1 1922 . 12 1 1 A 170 170 GLN N N 176 116.433 118.116 -1.683 1 1 1924 . 12 1 1 A 171 171 GLY H H 177 8.854 9.271 -0.417 1 1 1925 . 12 1 1 A 171 171 GLY HA2 H 177 5.205 4.110 1.095 1 1 1926 . 12 1 1 A 171 171 GLY HA3 H 177 3.526 4.153 -0.627 1 1 1927 . 12 1 1 A 171 171 GLY C C 177 170.842 172.204 -1.362 1 1 1928 . 12 1 1 A 171 171 GLY CA C 177 44.621 44.629 -0.008 1 1 1929 . 12 1 1 A 171 171 GLY N N 177 110.189 112.827 -2.638 1 1 1930 . 12 1 1 A 172 172 ASN H H 178 7.637 8.830 -1.193 1 1 1931 . 12 1 1 A 172 172 ASN HA H 178 4.224 5.584 -1.360 1 1 1936 . 12 1 1 A 172 172 ASN C C 178 171.546 173.973 -2.427 1 1 1937 . 12 1 1 A 172 172 ASN CA C 178 53.729 51.249 2.480 1 1 1938 . 12 1 1 A 172 172 ASN CB C 178 41.543 41.936 -0.393 1 1 1939 . 12 1 1 A 172 172 ASN N N 178 112.667 121.562 -8.895 1 1 1941 . 12 1 1 A 173 173 GLY H H 179 9.103 8.474 0.629 1 1 1942 . 12 1 1 A 173 173 GLY HA2 H 179 4.491 4.478 0.013 1 1 1943 . 12 1 1 A 173 173 GLY HA3 H 179 4.084 4.494 -0.410 1 1 1944 . 12 1 1 A 173 173 GLY C C 179 172.400 171.794 0.606 1 1 1945 . 12 1 1 A 173 173 GLY CA C 179 47.199 46.130 1.069 1 1 1946 . 12 1 1 A 173 173 GLY N N 179 106.686 108.379 -1.693 1 1 1947 . 12 1 1 A 174 174 LYS H H 180 9.179 8.897 0.282 1 1 1948 . 12 1 1 A 174 174 LYS HA H 180 4.821 5.020 -0.199 1 1 1957 . 12 1 1 A 174 174 LYS C C 180 172.518 173.989 -1.471 1 1 1958 . 12 1 1 A 174 174 LYS CA C 180 56.617 55.274 1.343 1 1 1959 . 12 1 1 A 174 174 LYS CB C 180 35.373 36.056 -0.683 1 1 1963 . 12 1 1 A 174 174 LYS N N 180 121.816 116.360 5.456 1 1 1964 . 12 1 1 A 175 175 ILE H H 181 8.351 9.033 -0.682 1 1 1965 . 12 1 1 A 175 175 ILE HA H 181 4.581 4.962 -0.381 1 1 1973 . 12 1 1 A 175 175 ILE C C 181 173.997 175.495 -1.498 1 1 1974 . 12 1 1 A 175 175 ILE CA C 181 60.490 59.592 0.898 1 1 1975 . 12 1 1 A 175 175 ILE CB C 181 39.573 40.536 -0.963 1 1 1978 . 12 1 1 A 175 175 ILE N N 181 123.400 123.470 -0.070 1 1 1979 . 12 1 1 A 176 176 GLU H H 182 8.492 8.636 -0.144 1 1 1980 . 12 1 1 A 176 176 GLU HA H 182 4.471 4.699 -0.228 1 1 1985 . 12 1 1 A 176 176 GLU C C 182 175.392 176.694 -1.302 1 1 1986 . 12 1 1 A 176 176 GLU CA C 182 53.410 55.729 -2.319 1 1 1987 . 12 1 1 A 176 176 GLU CB C 182 35.479 30.229 5.250 1 1 1989 . 12 1 1 A 176 176 GLU N N 182 122.287 125.711 -3.424 1 1 1990 . 12 1 1 A 177 177 HIS H H 183 8.431 7.872 0.559 1 1 1991 . 12 1 1 A 177 177 HIS HA H 183 3.975 4.780 -0.805 1 1 1996 . 12 1 1 A 177 177 HIS C C 183 176.008 174.213 1.795 1 1 1997 . 12 1 1 A 177 177 HIS CA C 183 57.533 55.465 2.068 1 1 1998 . 12 1 1 A 177 177 HIS CB C 183 27.362 30.333 -2.971 1 1 1999 . 12 1 1 A 177 177 HIS N N 183 109.605 120.004 -10.399 1 1 2000 . 12 1 1 A 178 178 LEU H H 184 9.603 7.412 2.191 1 1 2001 . 12 1 1 A 178 178 LEU HA H 184 4.276 4.580 -0.304 1 1 2011 . 12 1 1 A 178 178 LEU C C 184 178.805 177.885 0.920 1 1 2012 . 12 1 1 A 178 178 LEU CA C 184 56.034 53.133 2.901 1 1 2013 . 12 1 1 A 178 178 LEU CB C 184 39.882 43.966 -4.084 1 1 2017 . 12 1 1 A 178 178 LEU N N 184 124.374 120.418 3.956 1 1 2018 . 12 1 1 A 179 179 LYS H H 185 10.002 8.788 1.214 1 1 2019 . 12 1 1 A 179 179 LYS HA H 185 3.682 4.079 -0.397 1 1 2028 . 12 1 1 A 179 179 LYS C C 185 177.660 176.272 1.388 1 1 2029 . 12 1 1 A 179 179 LYS CA C 185 57.721 58.842 -1.121 1 1 2030 . 12 1 1 A 179 179 LYS CB C 185 31.949 32.119 -0.170 1 1 2034 . 12 1 1 A 179 179 LYS N N 185 122.880 121.160 1.720 1 1 2035 . 12 1 1 A 180 180 SER H H 186 7.262 7.826 -0.564 1 1 2036 . 12 1 1 A 180 180 SER HA H 186 4.672 4.937 -0.265 1 1 2039 . 12 1 1 A 180 180 SER C C 186 173.086 173.813 -0.727 1 1 2040 . 12 1 1 A 180 180 SER CA C 186 54.576 55.670 -1.094 1 1 2041 . 12 1 1 A 180 180 SER CB C 186 62.715 65.178 -2.463 1 1 2042 . 12 1 1 A 180 180 SER N N 186 115.187 115.297 -0.110 1 1 2043 . 12 1 1 A 181 181 PRO HA H 187 3.956 4.586 -0.630 1 1 2050 . 12 1 1 A 181 181 PRO CA C 187 65.359 65.081 0.278 1 1 2051 . 12 1 1 A 181 181 PRO CB C 187 32.061 32.043 0.018 1 1 2054 . 12 1 1 A 182 182 GLU H H 188 8.076 8.356 -0.280 1 1 2055 . 12 1 1 A 182 182 GLU HA H 188 3.011 4.103 -1.092 1 1 2060 . 12 1 1 A 182 182 GLU C C 188 173.944 177.618 -3.674 1 1 2061 . 12 1 1 A 182 182 GLU CA C 188 56.597 59.098 -2.501 1 1 2062 . 12 1 1 A 182 182 GLU CB C 188 29.581 29.425 0.156 1 1 2064 . 12 1 1 A 182 182 GLU N N 188 113.034 117.920 -4.886 1 1 2065 . 12 1 1 A 183 183 LEU H H 189 7.126 7.334 -0.208 1 1 2066 . 12 1 1 A 183 183 LEU HA H 189 3.970 4.258 -0.288 1 1 2076 . 12 1 1 A 183 183 LEU C C 189 175.597 176.807 -1.210 1 1 2077 . 12 1 1 A 183 183 LEU CA C 189 53.849 54.302 -0.453 1 1 2078 . 12 1 1 A 183 183 LEU CB C 189 41.152 42.077 -0.925 1 1 2082 . 12 1 1 A 183 183 LEU N N 189 112.896 118.073 -5.177 1 1 2083 . 12 1 1 A 184 184 ASN H H 190 6.952 7.974 -1.022 1 1 2084 . 12 1 1 A 184 184 ASN HA H 190 4.596 4.637 -0.041 1 1 2089 . 12 1 1 A 184 184 ASN C C 190 175.694 175.119 0.575 1 1 2090 . 12 1 1 A 184 184 ASN CA C 190 53.200 53.478 -0.278 1 1 2091 . 12 1 1 A 184 184 ASN CB C 190 36.466 39.067 -2.601 1 1 2092 . 12 1 1 A 184 184 ASN N N 190 117.865 117.448 0.417 1 1 2094 . 12 1 1 A 185 185 VAL H H 191 7.178 8.737 -1.559 1 1 2095 . 12 1 1 A 185 185 VAL HA H 191 4.480 4.862 -0.382 1 1 2103 . 12 1 1 A 185 185 VAL C C 191 174.874 174.702 0.172 1 1 2104 . 12 1 1 A 185 185 VAL CA C 191 59.753 58.663 1.090 1 1 2105 . 12 1 1 A 185 185 VAL CB C 191 33.035 35.590 -2.555 1 1 2108 . 12 1 1 A 185 185 VAL N N 191 113.276 117.354 -4.078 1 1 2109 . 12 1 1 A 186 186 ASP H H 192 8.827 8.683 0.144 1 1 2110 . 12 1 1 A 186 186 ASP HA H 192 4.779 5.102 -0.323 1 1 2113 . 12 1 1 A 186 186 ASP C C 192 174.919 175.358 -0.439 1 1 2114 . 12 1 1 A 186 186 ASP CA C 192 54.058 53.514 0.544 1 1 2115 . 12 1 1 A 186 186 ASP CB C 192 41.635 42.859 -1.224 1 1 2116 . 12 1 1 A 186 186 ASP N N 192 118.111 121.386 -3.275 1 1 2117 . 12 1 1 A 187 187 LEU H H 193 8.375 8.299 0.076 1 1 2118 . 12 1 1 A 187 187 LEU HA H 193 4.146 4.784 -0.638 1 1 2127 . 12 1 1 A 187 187 LEU CA C 193 52.331 53.743 -1.412 1 1 2128 . 12 1 1 A 187 187 LEU CB C 193 38.187 43.829 -5.642 1 1 2131 . 12 1 1 A 187 187 LEU N N 193 123.130 121.792 1.338 1 1 2132 . 12 1 1 A 188 188 ALA H H 194 8.225 8.735 -0.510 1 1 2133 . 12 1 1 A 188 188 ALA HA H 194 4.098 4.582 -0.484 1 1 2137 . 12 1 1 A 188 188 ALA C C 194 176.239 177.007 -0.768 1 1 2138 . 12 1 1 A 188 188 ALA CA C 194 52.498 51.711 0.787 1 1 2139 . 12 1 1 A 188 188 ALA CB C 194 20.030 19.040 0.990 1 1 2140 . 12 1 1 A 188 188 ALA N N 194 126.289 126.503 -0.214 1 1 2141 . 12 1 1 A 189 189 ALA H H 195 8.275 8.330 -0.055 1 1 2142 . 12 1 1 A 189 189 ALA HA H 195 4.862 4.331 0.531 1 1 2146 . 12 1 1 A 189 189 ALA C C 195 178.131 177.680 0.451 1 1 2147 . 12 1 1 A 189 189 ALA CA C 195 51.822 53.224 -1.402 1 1 2148 . 12 1 1 A 189 189 ALA CB C 195 17.367 19.052 -1.685 1 1 2149 . 12 1 1 A 189 189 ALA N N 195 122.010 125.719 -3.709 1 1 2150 . 12 1 1 A 190 190 ALA H H 196 8.823 8.546 0.277 1 1 2151 . 12 1 1 A 190 190 ALA HA H 196 4.634 5.099 -0.465 1 1 2155 . 12 1 1 A 190 190 ALA C C 196 175.141 174.794 0.347 1 1 2156 . 12 1 1 A 190 190 ALA CA C 196 50.420 49.936 0.484 1 1 2157 . 12 1 1 A 190 190 ALA CB C 196 23.461 22.701 0.760 1 1 2158 . 12 1 1 A 190 190 ALA N N 196 126.018 124.238 1.780 1 1 2159 . 12 1 1 A 191 191 ASP H H 197 8.365 8.603 -0.238 1 1 2160 . 12 1 1 A 191 191 ASP HA H 197 5.160 4.579 0.581 1 1 2163 . 12 1 1 A 191 191 ASP C C 197 176.028 175.773 0.255 1 1 2164 . 12 1 1 A 191 191 ASP CA C 197 54.034 52.666 1.368 1 1 2165 . 12 1 1 A 191 191 ASP CB C 197 41.691 42.410 -0.719 1 1 2166 . 12 1 1 A 191 191 ASP N N 197 118.646 121.939 -3.293 1 1 2167 . 12 1 1 A 192 192 ILE H H 198 7.915 8.179 -0.264 1 1 2168 . 12 1 1 A 192 192 ILE HA H 198 4.315 4.189 0.126 1 1 2178 . 12 1 1 A 192 192 ILE C C 198 174.684 175.537 -0.853 1 1 2179 . 12 1 1 A 192 192 ILE CA C 198 60.951 61.939 -0.988 1 1 2180 . 12 1 1 A 192 192 ILE CB C 198 41.989 37.909 4.080 1 1 2184 . 12 1 1 A 192 192 ILE N N 198 119.664 123.049 -3.385 1 1 2185 . 12 1 1 A 193 193 LYS H H 199 9.175 8.462 0.713 1 1 2186 . 12 1 1 A 193 193 LYS HA H 199 4.530 4.670 -0.140 1 1 2195 . 12 1 1 A 193 193 LYS C C 199 172.639 174.135 -1.496 1 1 2196 . 12 1 1 A 193 193 LYS CA C 199 53.361 52.605 0.756 1 1 2197 . 12 1 1 A 193 193 LYS CB C 199 34.758 34.368 0.390 1 1 2201 . 12 1 1 A 193 193 LYS N N 199 127.122 125.973 1.149 1 1 2202 . 12 1 1 A 195 195 ASP H H 201 8.390 8.979 -0.589 1 1 2203 . 12 1 1 A 195 195 ASP HA H 201 4.550 4.813 -0.263 1 1 2206 . 12 1 1 A 195 195 ASP C C 201 179.300 175.597 3.703 1 1 2207 . 12 1 1 A 195 195 ASP CA C 201 51.354 55.488 -4.134 1 1 2208 . 12 1 1 A 195 195 ASP CB C 201 40.324 43.955 -3.631 1 1 2209 . 12 1 1 A 195 195 ASP N N 201 123.239 121.290 1.949 1 1 2210 . 12 1 1 A 196 196 GLY HA2 H 202 3.718 3.953 -0.235 1 1 2211 . 12 1 1 A 196 196 GLY HA3 H 202 3.437 4.026 -0.589 1 1 2212 . 12 1 1 A 196 196 GLY CA C 202 46.527 45.080 1.447 1 1 2213 . 12 1 1 A 197 197 LYS H H 203 7.740 8.798 -1.058 1 1 2214 . 12 1 1 A 197 197 LYS HA H 203 4.118 4.026 0.092 1 1 2221 . 12 1 1 A 197 197 LYS C C 203 174.941 176.520 -1.579 1 1 2222 . 12 1 1 A 197 197 LYS CA C 203 55.054 58.359 -3.305 1 1 2223 . 12 1 1 A 197 197 LYS CB C 203 31.192 31.920 -0.728 1 1 2226 . 12 1 1 A 197 197 LYS N N 203 120.305 119.696 0.609 1 1 2227 . 12 1 1 A 198 198 ARG H H 204 8.059 8.003 0.056 1 1 2228 . 12 1 1 A 198 198 ARG HA H 204 3.441 4.636 -1.195 1 1 2235 . 12 1 1 A 198 198 ARG C C 204 175.152 175.396 -0.244 1 1 2236 . 12 1 1 A 198 198 ARG CA C 204 56.911 55.905 1.006 1 1 2237 . 12 1 1 A 198 198 ARG CB C 204 26.584 31.499 -4.915 1 1 2240 . 12 1 1 A 198 198 ARG N N 204 111.796 114.795 -2.999 1 1 2241 . 12 1 1 A 199 199 HIS H H 205 8.531 7.729 0.802 1 1 2242 . 12 1 1 A 199 199 HIS HA H 205 4.812 5.270 -0.458 1 1 2247 . 12 1 1 A 199 199 HIS C C 205 174.866 174.861 0.005 1 1 2248 . 12 1 1 A 199 199 HIS CA C 205 53.700 55.113 -1.413 1 1 2249 . 12 1 1 A 199 199 HIS CB C 205 27.838 32.307 -4.469 1 1 2250 . 12 1 1 A 199 199 HIS N N 205 120.255 118.648 1.607 1 1 2251 . 12 1 1 A 200 200 ALA H H 206 8.492 9.088 -0.596 1 1 2252 . 12 1 1 A 200 200 ALA HA H 206 4.615 5.396 -0.781 1 1 2256 . 12 1 1 A 200 200 ALA C C 206 175.840 175.495 0.345 1 1 2257 . 12 1 1 A 200 200 ALA CA C 206 52.247 50.589 1.658 1 1 2258 . 12 1 1 A 200 200 ALA CB C 206 19.838 23.203 -3.365 1 1 2259 . 12 1 1 A 200 200 ALA N N 206 123.237 123.096 0.141 1 1 2260 . 12 1 1 A 201 201 VAL H H 207 9.174 8.707 0.467 1 1 2261 . 12 1 1 A 201 201 VAL HA H 207 4.976 4.765 0.211 1 1 2269 . 12 1 1 A 201 201 VAL C C 207 173.390 174.572 -1.182 1 1 2270 . 12 1 1 A 201 201 VAL CA C 207 60.775 60.755 0.020 1 1 2271 . 12 1 1 A 201 201 VAL CB C 207 35.488 36.139 -0.651 1 1 2274 . 12 1 1 A 201 201 VAL N N 207 123.250 119.730 3.520 1 1 2275 . 12 1 1 A 202 202 ILE H H 208 8.887 8.755 0.132 1 1 2276 . 12 1 1 A 202 202 ILE HA H 208 4.312 4.815 -0.503 1 1 2286 . 12 1 1 A 202 202 ILE C C 208 174.670 174.943 -0.273 1 1 2287 . 12 1 1 A 202 202 ILE CA C 208 60.815 59.836 0.979 1 1 2288 . 12 1 1 A 202 202 ILE CB C 208 41.576 40.044 1.532 1 1 2292 . 12 1 1 A 202 202 ILE N N 208 122.699 127.079 -4.380 1 1 2293 . 12 1 1 A 203 203 SER H H 209 8.416 8.114 0.302 1 1 2294 . 12 1 1 A 203 203 SER HA H 209 4.913 4.918 -0.005 1 1 2297 . 12 1 1 A 203 203 SER C C 209 172.984 172.930 0.054 1 1 2298 . 12 1 1 A 203 203 SER CA C 209 55.676 56.474 -0.798 1 1 2299 . 12 1 1 A 203 203 SER CB C 209 64.355 64.873 -0.518 1 1 2300 . 12 1 1 A 203 203 SER N N 209 122.067 121.988 0.079 1 1 2301 . 12 1 1 A 204 204 GLY H H 210 7.292 8.460 -1.168 1 1 2302 . 12 1 1 A 204 204 GLY HA2 H 210 4.432 4.078 0.354 1 1 2303 . 12 1 1 A 204 204 GLY HA3 H 210 3.352 4.215 -0.863 1 1 2304 . 12 1 1 A 204 204 GLY C C 210 172.482 172.543 -0.061 1 1 2305 . 12 1 1 A 204 204 GLY CA C 210 45.167 44.969 0.198 1 1 2306 . 12 1 1 A 204 204 GLY N N 210 110.488 113.736 -3.248 1 1 2307 . 12 1 1 A 205 205 SER H H 211 8.652 8.857 -0.205 1 1 2308 . 12 1 1 A 205 205 SER HA H 211 5.027 5.568 -0.541 1 1 2311 . 12 1 1 A 205 205 SER C C 211 172.852 173.324 -0.472 1 1 2312 . 12 1 1 A 205 205 SER CA C 211 58.806 57.546 1.260 1 1 2313 . 12 1 1 A 205 205 SER CB C 211 64.384 66.386 -2.002 1 1 2314 . 12 1 1 A 205 205 SER N N 211 116.497 117.024 -0.527 1 1 2315 . 12 1 1 A 206 206 VAL H H 212 7.400 9.028 -1.628 1 1 2316 . 12 1 1 A 206 206 VAL HA H 212 5.032 4.716 0.316 1 1 2324 . 12 1 1 A 206 206 VAL C C 212 174.500 174.611 -0.111 1 1 2325 . 12 1 1 A 206 206 VAL CA C 212 58.764 61.178 -2.414 1 1 2326 . 12 1 1 A 206 206 VAL CB C 212 30.512 34.999 -4.487 1 1 2329 . 12 1 1 A 206 206 VAL N N 212 117.101 124.035 -6.934 1 1 2330 . 12 1 1 A 207 207 LEU H H 213 8.961 8.616 0.345 1 1 2331 . 12 1 1 A 207 207 LEU HA H 213 5.312 4.815 0.497 1 1 2341 . 12 1 1 A 207 207 LEU C C 213 175.520 175.455 0.065 1 1 2342 . 12 1 1 A 207 207 LEU CA C 213 52.630 54.337 -1.707 1 1 2343 . 12 1 1 A 207 207 LEU CB C 213 45.567 43.797 1.770 1 1 2347 . 12 1 1 A 207 207 LEU N N 213 124.185 130.097 -5.912 1 1 2348 . 12 1 1 A 208 208 TYR H H 214 8.836 8.961 -0.125 1 1 2349 . 12 1 1 A 208 208 TYR HA H 214 4.766 4.876 -0.110 1 1 2356 . 12 1 1 A 208 208 TYR C C 214 175.964 175.423 0.541 1 1 2357 . 12 1 1 A 208 208 TYR CA C 214 56.943 57.665 -0.722 1 1 2358 . 12 1 1 A 208 208 TYR CB C 214 41.736 41.463 0.273 1 1 2359 . 12 1 1 A 208 208 TYR N N 214 120.202 125.994 -5.792 1 1 2360 . 12 1 1 A 209 209 ASN H H 215 9.292 9.229 0.063 1 1 2361 . 12 1 1 A 209 209 ASN HA H 215 4.001 4.294 -0.293 1 1 2366 . 12 1 1 A 209 209 ASN C C 215 174.336 174.437 -0.101 1 1 2367 . 12 1 1 A 209 209 ASN CA C 215 53.923 54.306 -0.383 1 1 2368 . 12 1 1 A 209 209 ASN CB C 215 36.468 37.164 -0.696 1 1 2369 . 12 1 1 A 209 209 ASN N N 215 129.805 125.396 4.409 1 1 2371 . 12 1 1 A 210 210 GLN H H 216 8.614 8.434 0.180 1 1 2372 . 12 1 1 A 210 210 GLN HA H 216 3.453 3.823 -0.370 1 1 2379 . 12 1 1 A 210 210 GLN C C 216 173.521 174.701 -1.180 1 1 2380 . 12 1 1 A 210 210 GLN CA C 216 57.881 57.153 0.728 1 1 2381 . 12 1 1 A 210 210 GLN CB C 216 26.089 26.484 -0.395 1 1 2383 . 12 1 1 A 210 210 GLN N N 216 106.396 110.380 -3.984 1 1 2385 . 12 1 1 A 211 211 ALA H H 217 7.657 7.458 0.199 1 1 2386 . 12 1 1 A 211 211 ALA HA H 217 4.608 4.471 0.137 1 1 2390 . 12 1 1 A 211 211 ALA C C 217 176.432 176.677 -0.245 1 1 2391 . 12 1 1 A 211 211 ALA CA C 217 50.786 50.974 -0.188 1 1 2392 . 12 1 1 A 211 211 ALA CB C 217 20.499 20.864 -0.365 1 1 2393 . 12 1 1 A 211 211 ALA N N 217 123.338 118.302 5.036 1 1 2394 . 12 1 1 A 212 212 GLU H H 218 8.712 8.776 -0.064 1 1 2395 . 12 1 1 A 212 212 GLU HA H 218 4.525 4.179 0.346 1 1 2400 . 12 1 1 A 212 212 GLU C C 218 177.924 174.714 3.210 1 1 2401 . 12 1 1 A 212 212 GLU CA C 218 57.550 58.686 -1.136 1 1 2402 . 12 1 1 A 212 212 GLU CB C 218 28.811 28.646 0.165 1 1 2404 . 12 1 1 A 212 212 GLU N N 218 122.631 116.734 5.897 1 1 2405 . 12 1 1 A 213 213 LYS H H 219 8.835 8.329 0.506 1 1 2406 . 12 1 1 A 213 213 LYS HA H 219 4.612 4.788 -0.176 1 1 2415 . 12 1 1 A 213 213 LYS C C 219 173.786 175.225 -1.439 1 1 2416 . 12 1 1 A 213 213 LYS CA C 219 53.115 55.638 -2.523 1 1 2417 . 12 1 1 A 213 213 LYS CB C 219 34.180 34.683 -0.503 1 1 2421 . 12 1 1 A 213 213 LYS N N 219 126.870 121.065 5.805 1 1 2422 . 12 1 1 A 214 214 GLY H H 220 7.929 9.184 -1.255 1 1 2423 . 12 1 1 A 214 214 GLY HA2 H 220 5.469 4.106 1.363 1 1 2424 . 12 1 1 A 214 214 GLY HA3 H 220 3.719 4.132 -0.413 1 1 2425 . 12 1 1 A 214 214 GLY C C 220 173.926 172.852 1.074 1 1 2426 . 12 1 1 A 214 214 GLY CA C 220 44.536 44.252 0.284 1 1 2427 . 12 1 1 A 214 214 GLY N N 220 107.019 114.102 -7.083 1 1 2428 . 12 1 1 A 215 215 SER H H 221 8.678 8.942 -0.264 1 1 2429 . 12 1 1 A 215 215 SER HA H 221 5.460 5.570 -0.110 1 1 2432 . 12 1 1 A 215 215 SER C C 221 171.043 173.121 -2.078 1 1 2433 . 12 1 1 A 215 215 SER CA C 221 56.810 57.029 -0.219 1 1 2434 . 12 1 1 A 215 215 SER CB C 221 66.671 66.558 0.113 1 1 2435 . 12 1 1 A 215 215 SER N N 221 117.334 113.652 3.682 1 1 2436 . 12 1 1 A 216 216 TYR H H 222 8.958 9.288 -0.330 1 1 2437 . 12 1 1 A 216 216 TYR HA H 222 5.389 5.703 -0.314 1 1 2445 . 12 1 1 A 216 216 TYR C C 222 172.789 173.120 -0.331 1 1 2446 . 12 1 1 A 216 216 TYR CA C 222 55.819 55.522 0.297 1 1 2447 . 12 1 1 A 216 216 TYR CB C 222 41.681 42.624 -0.943 1 1 2448 . 12 1 1 A 216 216 TYR N N 222 117.645 119.080 -1.435 1 1 2449 . 12 1 1 A 217 217 SER H H 223 8.837 9.291 -0.454 1 1 2450 . 12 1 1 A 217 217 SER HA H 223 5.165 5.447 -0.282 1 1 2453 . 12 1 1 A 217 217 SER C C 223 173.125 172.838 0.287 1 1 2454 . 12 1 1 A 217 217 SER CA C 223 56.600 56.696 -0.096 1 1 2455 . 12 1 1 A 217 217 SER CB C 223 64.500 66.421 -1.921 1 1 2456 . 12 1 1 A 217 217 SER N N 223 115.593 114.510 1.083 1 1 2457 . 12 1 1 A 218 218 LEU H H 224 9.299 8.341 0.958 1 1 2458 . 12 1 1 A 218 218 LEU HA H 224 4.748 4.772 -0.024 1 1 2468 . 12 1 1 A 218 218 LEU C C 224 175.567 174.687 0.880 1 1 2469 . 12 1 1 A 218 218 LEU CA C 224 53.138 53.683 -0.545 1 1 2470 . 12 1 1 A 218 218 LEU CB C 224 46.255 44.772 1.483 1 1 2474 . 12 1 1 A 218 218 LEU N N 224 123.523 120.900 2.623 1 1 2475 . 12 1 1 A 219 219 GLY H H 225 9.041 8.013 1.028 1 1 2476 . 12 1 1 A 219 219 GLY HA2 H 225 4.620 3.857 0.763 1 1 2477 . 12 1 1 A 219 219 GLY HA3 H 225 3.413 4.071 -0.658 1 1 2478 . 12 1 1 A 219 219 GLY C C 225 171.514 171.567 -0.053 1 1 2479 . 12 1 1 A 219 219 GLY CA C 225 43.777 43.480 0.297 1 1 2480 . 12 1 1 A 219 219 GLY N N 225 108.999 105.985 3.014 1 1 2481 . 12 1 1 A 220 220 ILE H H 226 6.853 8.458 -1.605 1 1 2482 . 12 1 1 A 220 220 ILE HA H 226 4.615 4.576 0.039 1 1 2492 . 12 1 1 A 220 220 ILE C C 226 174.750 174.948 -0.198 1 1 2493 . 12 1 1 A 220 220 ILE CA C 226 60.421 59.952 0.469 1 1 2494 . 12 1 1 A 220 220 ILE CB C 226 38.213 39.137 -0.924 1 1 2498 . 12 1 1 A 220 220 ILE N N 226 120.223 120.718 -0.495 1 1 2499 . 12 1 1 A 221 221 PHE H H 227 9.392 8.481 0.911 1 1 2500 . 12 1 1 A 221 221 PHE HA H 227 4.770 5.092 -0.322 1 1 2507 . 12 1 1 A 221 221 PHE C C 227 175.093 175.502 -0.409 1 1 2508 . 12 1 1 A 221 221 PHE CA C 227 58.053 56.519 1.534 1 1 2509 . 12 1 1 A 221 221 PHE CB C 227 42.505 42.253 0.252 1 1 2510 . 12 1 1 A 221 221 PHE N N 227 128.229 125.849 2.380 1 1 2511 . 12 1 1 A 222 222 GLY H H 228 8.675 8.384 0.291 1 1 2512 . 12 1 1 A 222 222 GLY HA2 H 228 3.174 3.888 -0.714 1 1 2513 . 12 1 1 A 222 222 GLY HA3 H 228 4.311 4.131 0.180 1 1 2514 . 12 1 1 A 222 222 GLY CA C 228 42.438 44.717 -2.279 1 1 2515 . 12 1 1 A 222 222 GLY N N 228 104.634 110.581 -5.947 1 1 2516 . 12 1 1 A 223 223 GLY CA C 229 46.870 47.165 -0.295 1 1 2517 . 12 1 1 A 224 224 LYS H H 230 8.366 7.793 0.573 1 1 2518 . 12 1 1 A 224 224 LYS HA H 230 4.305 4.718 -0.413 1 1 2523 . 12 1 1 A 224 224 LYS C C 230 174.717 176.286 -1.569 1 1 2524 . 12 1 1 A 224 224 LYS CA C 230 54.119 54.840 -0.721 1 1 2525 . 12 1 1 A 224 224 LYS CB C 230 30.821 33.132 -2.311 1 1 2527 . 12 1 1 A 224 224 LYS N N 230 118.720 118.764 -0.044 1 1 2528 . 12 1 1 A 225 225 ALA H H 231 7.633 8.407 -0.774 1 1 2529 . 12 1 1 A 225 225 ALA HA H 231 3.810 4.221 -0.411 1 1 2533 . 12 1 1 A 225 225 ALA C C 231 176.702 177.293 -0.591 1 1 2534 . 12 1 1 A 225 225 ALA CA C 231 51.868 53.241 -1.373 1 1 2535 . 12 1 1 A 225 225 ALA CB C 231 16.117 17.415 -1.298 1 1 2536 . 12 1 1 A 225 225 ALA N N 231 118.077 125.155 -7.078 1 1 2537 . 12 1 1 A 226 226 GLN H H 232 9.387 7.921 1.466 1 1 2538 . 12 1 1 A 226 226 GLN HA H 232 3.877 4.458 -0.581 1 1 2543 . 12 1 1 A 226 226 GLN C C 232 175.992 176.251 -0.259 1 1 2544 . 12 1 1 A 226 226 GLN CA C 232 60.989 57.730 3.259 1 1 2545 . 12 1 1 A 226 226 GLN CB C 232 28.695 29.977 -1.282 1 1 2547 . 12 1 1 A 226 226 GLN N N 232 117.991 114.960 3.031 1 1 2548 . 12 1 1 A 227 227 GLU H H 233 8.825 7.840 0.985 1 1 2549 . 12 1 1 A 227 227 GLU HA H 233 5.411 4.504 0.907 1 1 2554 . 12 1 1 A 227 227 GLU C C 233 174.939 173.723 1.216 1 1 2555 . 12 1 1 A 227 227 GLU CA C 233 54.289 55.352 -1.063 1 1 2556 . 12 1 1 A 227 227 GLU CB C 233 33.797 31.650 2.147 1 1 2558 . 12 1 1 A 227 227 GLU N N 233 116.638 113.987 2.651 1 1 2559 . 12 1 1 A 228 228 VAL H H 234 8.343 8.582 -0.239 1 1 2560 . 12 1 1 A 228 228 VAL HA H 234 5.544 4.724 0.820 1 1 2568 . 12 1 1 A 228 228 VAL C C 234 174.839 174.117 0.722 1 1 2569 . 12 1 1 A 228 228 VAL CA C 234 57.867 59.840 -1.973 1 1 2570 . 12 1 1 A 228 228 VAL CB C 234 35.379 35.646 -0.267 1 1 2573 . 12 1 1 A 228 228 VAL N N 234 109.304 115.682 -6.378 1 1 2574 . 12 1 1 A 229 229 ALA H H 235 8.475 8.561 -0.086 1 1 2575 . 12 1 1 A 229 229 ALA HA H 235 4.937 5.213 -0.276 1 1 2579 . 12 1 1 A 229 229 ALA C C 235 176.417 176.020 0.397 1 1 2580 . 12 1 1 A 229 229 ALA CA C 235 51.303 51.047 0.256 1 1 2581 . 12 1 1 A 229 229 ALA CB C 235 20.301 24.011 -3.710 1 1 2582 . 12 1 1 A 229 229 ALA N N 235 120.653 124.072 -3.419 1 1 2583 . 12 1 1 A 230 230 GLY H H 236 9.361 8.112 1.249 1 1 2584 . 12 1 1 A 230 230 GLY HA2 H 236 5.075 4.236 0.839 1 1 2585 . 12 1 1 A 230 230 GLY HA3 H 236 4.017 4.253 -0.236 1 1 2586 . 12 1 1 A 230 230 GLY C C 236 170.130 172.084 -1.954 1 1 2587 . 12 1 1 A 230 230 GLY CA C 236 46.221 46.028 0.193 1 1 2588 . 12 1 1 A 230 230 GLY N N 236 111.104 106.220 4.884 1 1 2589 . 12 1 1 A 231 231 SER H H 237 8.889 9.098 -0.209 1 1 2590 . 12 1 1 A 231 231 SER HA H 237 5.276 5.359 -0.083 1 1 2593 . 12 1 1 A 231 231 SER C C 237 171.360 173.034 -1.674 1 1 2594 . 12 1 1 A 231 231 SER CA C 237 56.498 57.255 -0.757 1 1 2595 . 12 1 1 A 231 231 SER CB C 237 66.398 66.484 -0.086 1 1 2596 . 12 1 1 A 231 231 SER N N 237 115.308 116.162 -0.854 1 1 2597 . 12 1 1 A 232 232 ALA H H 238 9.083 8.900 0.183 1 1 2598 . 12 1 1 A 232 232 ALA HA H 238 5.148 5.347 -0.199 1 1 2602 . 12 1 1 A 232 232 ALA C C 238 174.537 175.079 -0.542 1 1 2603 . 12 1 1 A 232 232 ALA CA C 238 49.904 50.866 -0.962 1 1 2604 . 12 1 1 A 232 232 ALA CB C 238 21.729 23.283 -1.554 1 1 2605 . 12 1 1 A 232 232 ALA N N 238 119.911 122.977 -3.066 1 1 2606 . 12 1 1 A 233 233 GLU H H 239 9.015 9.092 -0.077 1 1 2607 . 12 1 1 A 233 233 GLU HA H 239 4.631 5.108 -0.477 1 1 2612 . 12 1 1 A 233 233 GLU C C 239 174.122 174.281 -0.159 1 1 2613 . 12 1 1 A 233 233 GLU CA C 239 54.786 54.760 0.026 1 1 2614 . 12 1 1 A 233 233 GLU CB C 239 31.355 33.472 -2.117 1 1 2616 . 12 1 1 A 233 233 GLU N N 239 122.744 121.990 0.754 1 1 2617 . 12 1 1 A 234 234 VAL H H 240 8.792 8.875 -0.083 1 1 2618 . 12 1 1 A 234 234 VAL HA H 240 4.394 4.711 -0.317 1 1 2623 . 12 1 1 A 234 234 VAL C C 240 174.833 173.801 1.032 1 1 2624 . 12 1 1 A 234 234 VAL CA C 240 61.427 59.333 2.094 1 1 2625 . 12 1 1 A 234 234 VAL CB C 240 33.863 35.461 -1.598 1 1 2627 . 12 1 1 A 234 234 VAL N N 240 124.203 122.231 1.972 1 1 2628 . 12 1 1 A 235 235 LYS H H 241 8.841 8.542 0.299 1 1 2629 . 12 1 1 A 235 235 LYS HA H 241 3.981 4.680 -0.699 1 1 2638 . 12 1 1 A 235 235 LYS C C 241 174.548 175.280 -0.732 1 1 2639 . 12 1 1 A 235 235 LYS CA C 241 55.955 55.695 0.260 1 1 2640 . 12 1 1 A 235 235 LYS CB C 241 32.100 32.377 -0.277 1 1 2644 . 12 1 1 A 235 235 LYS N N 241 127.554 125.514 2.040 1 1 2645 . 12 1 1 A 236 236 THR H H 242 7.212 8.543 -1.331 1 1 2646 . 12 1 1 A 236 236 THR HA H 242 4.355 4.845 -0.490 1 1 2651 . 12 1 1 A 236 236 THR C C 242 176.482 175.886 0.596 1 1 2652 . 12 1 1 A 236 236 THR CA C 242 61.054 61.389 -0.335 1 1 2653 . 12 1 1 A 236 236 THR CB C 242 72.642 69.824 2.818 1 1 2655 . 12 1 1 A 236 236 THR N N 242 114.463 120.343 -5.880 1 1 2656 . 12 1 1 A 237 237 VAL H H 243 9.582 8.809 0.773 1 1 2657 . 12 1 1 A 237 237 VAL HA H 243 3.849 3.843 0.006 1 1 2665 . 12 1 1 A 237 237 VAL C C 243 176.201 177.222 -1.021 1 1 2666 . 12 1 1 A 237 237 VAL CA C 243 64.701 65.004 -0.303 1 1 2667 . 12 1 1 A 237 237 VAL CB C 243 31.028 31.219 -0.191 1 1 2669 . 12 1 1 A 237 237 VAL N N 243 120.670 124.032 -3.362 1 1 2670 . 12 1 1 A 238 238 ASN H H 244 7.572 7.709 -0.137 1 1 2671 . 12 1 1 A 238 238 ASN HA H 244 4.882 4.689 0.193 1 1 2676 . 12 1 1 A 238 238 ASN C C 244 173.835 175.716 -1.881 1 1 2677 . 12 1 1 A 238 238 ASN CA C 244 52.022 53.120 -1.098 1 1 2678 . 12 1 1 A 238 238 ASN CB C 244 39.176 38.491 0.685 1 1 2679 . 12 1 1 A 238 238 ASN N N 244 115.638 118.722 -3.084 1 1 2681 . 12 1 1 A 239 239 GLY H H 245 7.362 8.907 -1.545 1 1 2682 . 12 1 1 A 239 239 GLY HA2 H 245 4.539 4.016 0.523 1 1 2683 . 12 1 1 A 239 239 GLY HA3 H 245 3.728 4.025 -0.297 1 1 2684 . 12 1 1 A 239 239 GLY C C 245 174.343 173.280 1.063 1 1 2685 . 12 1 1 A 239 239 GLY CA C 245 43.316 45.478 -2.162 1 1 2686 . 12 1 1 A 239 239 GLY N N 245 107.650 105.801 1.849 1 1 2687 . 12 1 1 A 240 240 ILE H H 246 8.672 8.049 0.623 1 1 2688 . 12 1 1 A 240 240 ILE HA H 246 4.351 4.910 -0.559 1 1 2698 . 12 1 1 A 240 240 ILE C C 246 176.899 173.175 3.724 1 1 2699 . 12 1 1 A 240 240 ILE CA C 246 61.120 59.067 2.053 1 1 2700 . 12 1 1 A 240 240 ILE CB C 246 36.906 42.017 -5.111 1 1 2704 . 12 1 1 A 240 240 ILE N N 246 122.673 121.801 0.872 1 1 2705 . 12 1 1 A 241 241 ARG H H 247 9.233 8.626 0.607 1 1 2706 . 12 1 1 A 241 241 ARG HA H 247 4.370 5.168 -0.798 1 1 2713 . 12 1 1 A 241 241 ARG C C 247 173.925 174.578 -0.653 1 1 2714 . 12 1 1 A 241 241 ARG CA C 247 53.461 54.372 -0.911 1 1 2715 . 12 1 1 A 241 241 ARG CB C 247 31.910 34.428 -2.518 1 1 2718 . 12 1 1 A 241 241 ARG N N 247 128.497 127.053 1.444 1 1 2719 . 12 1 1 A 242 242 HIS H H 248 8.519 9.019 -0.500 1 1 2720 . 12 1 1 A 242 242 HIS HA H 248 5.323 5.486 -0.163 1 1 2725 . 12 1 1 A 242 242 HIS C C 248 174.635 174.707 -0.072 1 1 2726 . 12 1 1 A 242 242 HIS CA C 248 55.759 54.248 1.511 1 1 2727 . 12 1 1 A 242 242 HIS CB C 248 32.921 32.967 -0.046 1 1 2728 . 12 1 1 A 242 242 HIS N N 248 121.131 120.967 0.164 1 1 2729 . 12 1 1 A 243 243 ILE H H 249 8.723 9.215 -0.492 1 1 2730 . 12 1 1 A 243 243 ILE HA H 249 4.522 4.726 -0.204 1 1 2740 . 12 1 1 A 243 243 ILE C C 249 176.188 175.301 0.887 1 1 2741 . 12 1 1 A 243 243 ILE CA C 249 58.524 59.737 -1.213 1 1 2742 . 12 1 1 A 243 243 ILE CB C 249 41.977 42.512 -0.535 1 1 2746 . 12 1 1 A 243 243 ILE N N 249 119.438 120.884 -1.446 1 1 2747 . 12 1 1 A 244 244 GLY H H 250 9.351 8.503 0.848 1 1 2748 . 12 1 1 A 244 244 GLY HA2 H 250 3.707 3.304 0.403 1 1 2749 . 12 1 1 A 244 244 GLY HA3 H 250 2.119 3.898 -1.779 1 1 2750 . 12 1 1 A 244 244 GLY C C 250 170.981 171.680 -0.699 1 1 2751 . 12 1 1 A 244 244 GLY CA C 250 44.178 44.020 0.158 1 1 2752 . 12 1 1 A 244 244 GLY N N 250 113.700 114.021 -0.321 1 1 2753 . 12 1 1 A 245 245 LEU H H 251 7.833 8.485 -0.652 1 1 2754 . 12 1 1 A 245 245 LEU HA H 251 4.717 4.870 -0.153 1 1 2764 . 12 1 1 A 245 245 LEU C C 251 174.501 175.919 -1.418 1 1 2765 . 12 1 1 A 245 245 LEU CA C 251 52.508 53.452 -0.944 1 1 2766 . 12 1 1 A 245 245 LEU CB C 251 46.764 43.615 3.149 1 1 2770 . 12 1 1 A 245 245 LEU N N 251 120.798 124.345 -3.547 1 1 2771 . 12 1 1 A 246 246 ALA H H 252 7.906 8.650 -0.744 1 1 2772 . 12 1 1 A 246 246 ALA HA H 252 4.589 4.926 -0.337 1 1 2776 . 12 1 1 A 246 246 ALA C C 252 173.363 175.656 -2.293 1 1 2777 . 12 1 1 A 246 246 ALA CA C 252 51.546 51.492 0.054 1 1 2778 . 12 1 1 A 246 246 ALA CB C 252 21.524 20.517 1.007 1 1 2779 . 12 1 1 A 246 246 ALA N N 252 122.885 124.591 -1.706 1 1 2780 . 12 1 1 A 247 247 ALA H H 253 9.041 8.907 0.134 1 1 2781 . 12 1 1 A 247 247 ALA HA H 253 4.726 5.350 -0.624 1 1 2785 . 12 1 1 A 247 247 ALA C C 253 174.897 175.616 -0.719 1 1 2786 . 12 1 1 A 247 247 ALA CA C 253 51.723 50.675 1.048 1 1 2787 . 12 1 1 A 247 247 ALA CB C 253 22.967 22.410 0.557 1 1 2788 . 12 1 1 A 247 247 ALA N N 253 122.967 125.638 -2.671 1 1 2789 . 12 1 1 A 248 248 LYS H H 254 8.171 8.590 -0.419 1 1 2790 . 12 1 1 A 248 248 LYS HA H 254 5.731 4.879 0.852 1 1 2797 . 12 1 1 A 248 248 LYS C C 254 175.094 175.211 -0.117 1 1 2798 . 12 1 1 A 248 248 LYS CA C 254 53.866 53.990 -0.124 1 1 2799 . 12 1 1 A 248 248 LYS CB C 254 36.312 36.024 0.288 1 1 2802 . 12 1 1 A 248 248 LYS N N 254 115.734 120.442 -4.708 1 1 60 . 13 1 1 A 9 9 GLY H H 15 8.346 8.444 -0.098 1 1 61 . 13 1 1 A 9 9 GLY HA2 H 15 4.021 3.872 0.149 1 1 62 . 13 1 1 A 9 9 GLY HA3 H 15 3.772 3.876 -0.104 1 1 63 . 13 1 1 A 9 9 GLY C C 15 174.259 175.631 -1.372 1 1 64 . 13 1 1 A 9 9 GLY CA C 15 45.581 46.318 -0.737 1 1 65 . 13 1 1 A 9 9 GLY N N 15 107.368 109.020 -1.652 1 1 66 . 13 1 1 A 10 10 LEU H H 16 7.224 7.931 -0.707 1 1 67 . 13 1 1 A 10 10 LEU HA H 16 3.736 4.044 -0.308 1 1 77 . 13 1 1 A 10 10 LEU C C 16 178.202 178.535 -0.333 1 1 78 . 13 1 1 A 10 10 LEU CA C 16 57.915 58.294 -0.379 1 1 79 . 13 1 1 A 10 10 LEU CB C 16 40.686 41.208 -0.522 1 1 83 . 13 1 1 A 10 10 LEU N N 16 117.616 118.312 -0.696 1 1 84 . 13 1 1 A 11 11 ALA H H 17 7.860 8.332 -0.472 1 1 85 . 13 1 1 A 11 11 ALA HA H 17 3.937 3.996 -0.059 1 1 89 . 13 1 1 A 11 11 ALA C C 17 181.090 179.041 2.049 1 1 90 . 13 1 1 A 11 11 ALA CA C 17 54.860 55.746 -0.886 1 1 91 . 13 1 1 A 11 11 ALA CB C 17 17.248 18.214 -0.966 1 1 92 . 13 1 1 A 11 11 ALA N N 17 117.757 122.202 -4.445 1 1 93 . 13 1 1 A 12 12 ASP H H 18 8.017 8.288 -0.271 1 1 94 . 13 1 1 A 12 12 ASP HA H 18 4.223 4.370 -0.147 1 1 97 . 13 1 1 A 12 12 ASP C C 18 177.941 177.804 0.137 1 1 98 . 13 1 1 A 12 12 ASP CA C 18 56.341 57.084 -0.743 1 1 99 . 13 1 1 A 12 12 ASP CB C 18 39.312 41.876 -2.564 1 1 100 . 13 1 1 A 12 12 ASP N N 18 118.410 118.300 0.110 1 1 101 . 13 1 1 A 13 13 ALA H H 19 8.205 7.835 0.370 1 1 102 . 13 1 1 A 13 13 ALA HA H 19 3.952 4.194 -0.242 1 1 106 . 13 1 1 A 13 13 ALA C C 19 178.856 179.253 -0.397 1 1 107 . 13 1 1 A 13 13 ALA CA C 19 55.039 54.139 0.900 1 1 108 . 13 1 1 A 13 13 ALA CB C 19 17.779 18.694 -0.915 1 1 109 . 13 1 1 A 13 13 ALA N N 19 121.480 121.161 0.319 1 1 110 . 13 1 1 A 14 14 LEU H H 20 7.217 8.078 -0.861 1 1 111 . 13 1 1 A 14 14 LEU HA H 20 4.258 4.138 0.120 1 1 121 . 13 1 1 A 14 14 LEU C C 20 177.544 179.146 -1.602 1 1 122 . 13 1 1 A 14 14 LEU CA C 20 55.511 57.271 -1.760 1 1 123 . 13 1 1 A 14 14 LEU CB C 20 42.176 41.514 0.662 1 1 126 . 13 1 1 A 14 14 LEU N N 20 113.410 118.753 -5.343 1 1 127 . 13 1 1 A 15 15 THR H H 21 7.624 7.317 0.307 1 1 128 . 13 1 1 A 15 15 THR HA H 21 4.394 4.107 0.287 1 1 133 . 13 1 1 A 15 15 THR C C 21 174.959 174.097 0.862 1 1 134 . 13 1 1 A 15 15 THR CA C 21 61.733 64.268 -2.535 1 1 135 . 13 1 1 A 15 15 THR CB C 21 71.514 68.296 3.218 1 1 137 . 13 1 1 A 15 15 THR N N 21 106.072 110.242 -4.170 1 1 138 . 13 1 1 A 16 16 ALA H H 22 8.932 7.699 1.233 1 1 139 . 13 1 1 A 16 16 ALA HA H 22 4.624 4.745 -0.121 1 1 143 . 13 1 1 A 16 16 ALA C C 22 175.978 175.148 0.830 1 1 144 . 13 1 1 A 16 16 ALA CA C 22 50.681 49.840 0.841 1 1 145 . 13 1 1 A 16 16 ALA CB C 22 18.728 21.659 -2.931 1 1 146 . 13 1 1 A 16 16 ALA N N 22 127.789 121.701 6.088 1 1 147 . 13 1 1 A 17 17 PRO HA H 23 4.430 4.667 -0.237 1 1 154 . 13 1 1 A 17 17 PRO CA C 23 61.497 62.177 -0.680 1 1 155 . 13 1 1 A 17 17 PRO CB C 23 31.775 33.114 -1.339 1 1 158 . 13 1 1 A 18 18 LEU H H 24 8.154 9.052 -0.898 1 1 159 . 13 1 1 A 18 18 LEU HA H 24 3.894 4.108 -0.214 1 1 169 . 13 1 1 A 18 18 LEU C C 24 176.447 176.953 -0.506 1 1 170 . 13 1 1 A 18 18 LEU CA C 24 55.510 57.709 -2.199 1 1 171 . 13 1 1 A 18 18 LEU CB C 24 40.921 42.907 -1.986 1 1 175 . 13 1 1 A 18 18 LEU N N 24 121.010 119.432 1.578 1 1 176 . 13 1 1 A 19 19 ASP H H 25 8.758 7.754 1.004 1 1 177 . 13 1 1 A 19 19 ASP HA H 25 4.626 5.004 -0.378 1 1 180 . 13 1 1 A 19 19 ASP C C 25 176.425 175.096 1.329 1 1 181 . 13 1 1 A 19 19 ASP CA C 25 52.688 52.793 -0.105 1 1 182 . 13 1 1 A 19 19 ASP CB C 25 42.819 45.387 -2.568 1 1 183 . 13 1 1 A 19 19 ASP N N 25 124.654 116.210 8.444 1 1 184 . 13 1 1 A 20 20 HIS HA H 26 4.272 4.685 -0.413 1 1 189 . 13 1 1 A 20 20 HIS CA C 26 58.100 56.446 1.654 1 1 190 . 13 1 1 A 20 20 HIS CB C 26 29.200 30.400 -1.200 1 1 191 . 13 1 1 A 21 21 LYS H H 27 8.348 8.146 0.202 1 1 192 . 13 1 1 A 21 21 LYS HA H 27 3.970 4.130 -0.160 1 1 201 . 13 1 1 A 21 21 LYS C C 27 177.393 176.166 1.227 1 1 202 . 13 1 1 A 21 21 LYS CA C 27 56.320 57.581 -1.261 1 1 203 . 13 1 1 A 21 21 LYS CB C 27 30.950 32.480 -1.530 1 1 206 . 13 1 1 A 21 21 LYS N N 27 118.419 122.107 -3.688 1 1 207 . 13 1 1 A 22 22 ASP H H 28 7.451 8.781 -1.330 1 1 208 . 13 1 1 A 22 22 ASP HA H 28 4.307 4.815 -0.508 1 1 211 . 13 1 1 A 22 22 ASP C C 28 176.212 177.616 -1.404 1 1 212 . 13 1 1 A 22 22 ASP CA C 28 54.164 53.244 0.920 1 1 213 . 13 1 1 A 22 22 ASP CB C 28 40.091 42.347 -2.256 1 1 214 . 13 1 1 A 22 22 ASP N N 28 120.045 126.956 -6.911 1 1 215 . 13 1 1 A 23 23 LYS H H 29 8.416 8.821 -0.405 1 1 216 . 13 1 1 A 23 23 LYS HA H 29 3.962 4.270 -0.308 1 1 225 . 13 1 1 A 23 23 LYS C C 29 177.409 175.842 1.567 1 1 226 . 13 1 1 A 23 23 LYS CA C 29 56.254 57.489 -1.235 1 1 227 . 13 1 1 A 23 23 LYS CB C 29 31.950 32.000 -0.050 1 1 231 . 13 1 1 A 23 23 LYS N N 29 121.925 121.090 0.835 1 1 232 . 13 1 1 A 24 24 GLY H H 30 8.612 7.504 1.108 1 1 233 . 13 1 1 A 24 24 GLY HA2 H 30 3.655 4.094 -0.439 1 1 234 . 13 1 1 A 24 24 GLY HA3 H 30 3.519 4.119 -0.600 1 1 235 . 13 1 1 A 24 24 GLY CA C 30 44.788 45.340 -0.552 1 1 236 . 13 1 1 A 24 24 GLY N N 30 111.487 108.054 3.433 1 1 237 . 13 1 1 A 25 25 LEU H H 31 8.054 8.877 -0.823 1 1 238 . 13 1 1 A 25 25 LEU HA H 31 3.770 4.237 -0.467 1 1 248 . 13 1 1 A 25 25 LEU CA C 31 55.906 56.206 -0.300 1 1 249 . 13 1 1 A 25 25 LEU CB C 31 44.428 42.574 1.854 1 1 253 . 13 1 1 A 25 25 LEU N N 31 127.196 121.407 5.789 1 1 254 . 13 1 1 A 26 26 GLN H H 32 9.184 8.832 0.352 1 1 255 . 13 1 1 A 26 26 GLN HA H 32 3.437 4.681 -1.244 1 1 262 . 13 1 1 A 26 26 GLN C C 32 174.347 174.967 -0.620 1 1 263 . 13 1 1 A 26 26 GLN CA C 32 57.926 55.697 2.229 1 1 264 . 13 1 1 A 26 26 GLN CB C 32 27.721 30.422 -2.701 1 1 266 . 13 1 1 A 26 26 GLN N N 32 131.782 124.485 7.297 1 1 268 . 13 1 1 A 27 27 SER H H 33 7.240 7.726 -0.486 1 1 269 . 13 1 1 A 27 27 SER HA H 33 4.981 5.207 -0.226 1 1 272 . 13 1 1 A 27 27 SER C C 33 171.111 172.362 -1.251 1 1 273 . 13 1 1 A 27 27 SER CA C 33 56.782 57.377 -0.595 1 1 274 . 13 1 1 A 27 27 SER CB C 33 64.611 66.135 -1.524 1 1 275 . 13 1 1 A 27 27 SER N N 33 108.936 113.775 -4.839 1 1 276 . 13 1 1 A 28 28 LEU H H 34 8.010 8.738 -0.728 1 1 277 . 13 1 1 A 28 28 LEU HA H 34 4.372 4.899 -0.527 1 1 287 . 13 1 1 A 28 28 LEU C C 34 174.697 175.204 -0.507 1 1 288 . 13 1 1 A 28 28 LEU CA C 34 53.332 53.518 -0.186 1 1 289 . 13 1 1 A 28 28 LEU CB C 34 45.636 43.544 2.092 1 1 293 . 13 1 1 A 28 28 LEU N N 34 121.826 124.256 -2.430 1 1 294 . 13 1 1 A 29 29 THR H H 35 8.810 8.795 0.015 1 1 295 . 13 1 1 A 29 29 THR HA H 35 4.046 4.485 -0.439 1 1 300 . 13 1 1 A 29 29 THR C C 35 172.792 174.275 -1.483 1 1 301 . 13 1 1 A 29 29 THR CA C 35 62.565 63.146 -0.581 1 1 302 . 13 1 1 A 29 29 THR CB C 35 68.233 69.764 -1.531 1 1 304 . 13 1 1 A 29 29 THR N N 35 123.892 124.039 -0.147 1 1 305 . 13 1 1 A 30 30 LEU H H 36 8.662 8.980 -0.318 1 1 306 . 13 1 1 A 30 30 LEU HA H 36 4.150 4.573 -0.423 1 1 316 . 13 1 1 A 30 30 LEU C C 36 174.707 176.050 -1.343 1 1 317 . 13 1 1 A 30 30 LEU CA C 36 53.789 54.346 -0.557 1 1 318 . 13 1 1 A 30 30 LEU CB C 36 40.562 40.440 0.122 1 1 322 . 13 1 1 A 30 30 LEU N N 36 128.365 127.374 0.991 1 1 323 . 13 1 1 A 31 31 ASP H H 37 8.500 8.884 -0.384 1 1 324 . 13 1 1 A 31 31 ASP HA H 37 4.837 4.600 0.237 1 1 327 . 13 1 1 A 31 31 ASP CA C 37 54.657 56.595 -1.938 1 1 328 . 13 1 1 A 31 31 ASP CB C 37 43.089 41.926 1.163 1 1 329 . 13 1 1 A 31 31 ASP N N 37 123.194 125.670 -2.476 1 1 330 . 13 1 1 A 32 32 GLN H H 38 10.453 7.925 2.528 1 1 331 . 13 1 1 A 32 32 GLN HA H 38 3.808 4.595 -0.787 1 1 338 . 13 1 1 A 32 32 GLN C C 38 178.535 175.466 3.069 1 1 339 . 13 1 1 A 32 32 GLN CA C 38 56.284 54.357 1.927 1 1 340 . 13 1 1 A 32 32 GLN CB C 38 28.175 28.289 -0.114 1 1 342 . 13 1 1 A 32 32 GLN N N 38 120.692 117.435 3.257 1 1 344 . 13 1 1 A 33 33 SER H H 39 8.523 8.617 -0.094 1 1 345 . 13 1 1 A 33 33 SER HA H 39 4.081 4.764 -0.683 1 1 348 . 13 1 1 A 33 33 SER C C 39 171.792 174.124 -2.332 1 1 349 . 13 1 1 A 33 33 SER CA C 39 61.436 58.577 2.859 1 1 350 . 13 1 1 A 33 33 SER CB C 39 63.008 65.000 -1.992 1 1 351 . 13 1 1 A 33 33 SER N N 39 111.712 116.204 -4.492 1 1 352 . 13 1 1 A 34 34 VAL H H 40 6.691 7.825 -1.134 1 1 353 . 13 1 1 A 34 34 VAL HA H 40 3.890 4.792 -0.902 1 1 361 . 13 1 1 A 34 34 VAL C C 40 172.251 173.629 -1.378 1 1 362 . 13 1 1 A 34 34 VAL CA C 40 60.415 59.648 0.767 1 1 363 . 13 1 1 A 34 34 VAL CB C 40 32.306 35.111 -2.805 1 1 366 . 13 1 1 A 34 34 VAL N N 40 115.971 119.263 -3.292 1 1 367 . 13 1 1 A 35 35 ARG H H 41 8.184 8.244 -0.060 1 1 368 . 13 1 1 A 35 35 ARG HA H 41 4.176 4.794 -0.618 1 1 375 . 13 1 1 A 35 35 ARG C C 41 176.886 177.253 -0.367 1 1 376 . 13 1 1 A 35 35 ARG CA C 41 55.599 54.183 1.416 1 1 377 . 13 1 1 A 35 35 ARG CB C 41 30.569 32.746 -2.177 1 1 380 . 13 1 1 A 35 35 ARG N N 41 125.397 122.768 2.629 1 1 381 . 13 1 1 A 36 36 LYS H H 42 8.493 8.721 -0.228 1 1 382 . 13 1 1 A 36 36 LYS HA H 42 3.778 4.058 -0.280 1 1 391 . 13 1 1 A 36 36 LYS C C 42 176.596 176.591 0.005 1 1 392 . 13 1 1 A 36 36 LYS CA C 42 58.687 58.631 0.056 1 1 393 . 13 1 1 A 36 36 LYS CB C 42 31.959 32.127 -0.168 1 1 397 . 13 1 1 A 36 36 LYS N N 42 119.360 122.724 -3.364 1 1 398 . 13 1 1 A 37 37 ASN H H 43 8.513 8.351 0.162 1 1 399 . 13 1 1 A 37 37 ASN HA H 43 4.438 4.795 -0.357 1 1 404 . 13 1 1 A 37 37 ASN C C 43 173.867 175.122 -1.255 1 1 405 . 13 1 1 A 37 37 ASN CA C 43 55.127 53.627 1.500 1 1 406 . 13 1 1 A 37 37 ASN CB C 43 37.071 39.825 -2.754 1 1 407 . 13 1 1 A 37 37 ASN N N 43 115.488 115.282 0.206 1 1 409 . 13 1 1 A 38 38 GLU H H 44 7.793 7.734 0.059 1 1 410 . 13 1 1 A 38 38 GLU HA H 44 4.772 4.748 0.024 1 1 413 . 13 1 1 A 38 38 GLU C C 44 175.262 174.886 0.376 1 1 414 . 13 1 1 A 38 38 GLU CA C 44 54.808 55.456 -0.648 1 1 415 . 13 1 1 A 38 38 GLU CB C 44 32.321 31.979 0.342 1 1 416 . 13 1 1 A 38 38 GLU N N 44 118.734 120.473 -1.739 1 1 417 . 13 1 1 A 39 39 LYS H H 45 8.706 8.417 0.289 1 1 418 . 13 1 1 A 39 39 LYS HA H 45 4.606 5.274 -0.668 1 1 427 . 13 1 1 A 39 39 LYS C C 45 174.312 174.984 -0.672 1 1 428 . 13 1 1 A 39 39 LYS CA C 45 52.782 54.497 -1.715 1 1 429 . 13 1 1 A 39 39 LYS CB C 45 35.174 36.068 -0.894 1 1 433 . 13 1 1 A 39 39 LYS N N 45 117.132 124.867 -7.735 1 1 434 . 13 1 1 A 40 40 LEU H H 46 9.085 8.870 0.215 1 1 435 . 13 1 1 A 40 40 LEU HA H 46 5.044 4.830 0.214 1 1 442 . 13 1 1 A 40 40 LEU C C 46 173.778 174.342 -0.564 1 1 443 . 13 1 1 A 40 40 LEU CA C 46 52.590 53.140 -0.550 1 1 444 . 13 1 1 A 40 40 LEU CB C 46 44.855 45.378 -0.523 1 1 447 . 13 1 1 A 40 40 LEU N N 46 125.335 121.003 4.332 1 1 448 . 13 1 1 A 41 41 LYS H H 47 9.263 8.684 0.579 1 1 449 . 13 1 1 A 41 41 LYS HA H 47 5.049 5.048 0.001 1 1 458 . 13 1 1 A 41 41 LYS C C 47 175.616 174.581 1.035 1 1 459 . 13 1 1 A 41 41 LYS CA C 47 53.864 54.456 -0.592 1 1 460 . 13 1 1 A 41 41 LYS CB C 47 32.986 36.217 -3.231 1 1 464 . 13 1 1 A 41 41 LYS N N 47 129.833 118.975 10.858 1 1 465 . 13 1 1 A 42 42 LEU H H 48 8.954 8.816 0.138 1 1 466 . 13 1 1 A 42 42 LEU HA H 48 5.458 4.988 0.470 1 1 476 . 13 1 1 A 42 42 LEU C C 48 175.565 175.821 -0.256 1 1 477 . 13 1 1 A 42 42 LEU CA C 48 51.964 53.296 -1.332 1 1 478 . 13 1 1 A 42 42 LEU CB C 48 44.393 43.240 1.153 1 1 482 . 13 1 1 A 42 42 LEU N N 48 126.292 128.362 -2.070 1 1 483 . 13 1 1 A 43 43 ALA H H 49 8.804 8.549 0.255 1 1 484 . 13 1 1 A 43 43 ALA HA H 49 5.304 5.302 0.002 1 1 488 . 13 1 1 A 43 43 ALA C C 49 176.301 175.659 0.642 1 1 489 . 13 1 1 A 43 43 ALA CA C 49 51.004 51.488 -0.484 1 1 490 . 13 1 1 A 43 43 ALA CB C 49 23.453 22.672 0.781 1 1 491 . 13 1 1 A 43 43 ALA N N 49 120.789 123.474 -2.685 1 1 492 . 13 1 1 A 44 44 ALA H H 50 8.117 8.745 -0.628 1 1 493 . 13 1 1 A 44 44 ALA HA H 50 4.485 4.491 -0.006 1 1 497 . 13 1 1 A 44 44 ALA C C 50 176.254 176.821 -0.567 1 1 498 . 13 1 1 A 44 44 ALA CA C 50 53.021 51.953 1.068 1 1 499 . 13 1 1 A 44 44 ALA CB C 50 23.682 21.679 2.003 1 1 500 . 13 1 1 A 44 44 ALA N N 50 120.678 121.373 -0.695 1 1 501 . 13 1 1 A 45 45 GLN H H 51 9.035 9.331 -0.296 1 1 502 . 13 1 1 A 45 45 GLN HA H 51 3.774 3.917 -0.143 1 1 509 . 13 1 1 A 45 45 GLN C C 51 175.259 174.891 0.368 1 1 510 . 13 1 1 A 45 45 GLN CA C 51 56.074 56.684 -0.610 1 1 511 . 13 1 1 A 45 45 GLN CB C 51 27.339 27.559 -0.220 1 1 513 . 13 1 1 A 45 45 GLN N N 51 116.299 123.474 -7.175 1 1 515 . 13 1 1 A 46 46 GLY H H 52 8.441 8.472 -0.031 1 1 516 . 13 1 1 A 46 46 GLY HA2 H 52 4.066 3.755 0.311 1 1 517 . 13 1 1 A 46 46 GLY HA3 H 52 3.510 3.756 -0.246 1 1 518 . 13 1 1 A 46 46 GLY C C 52 173.050 173.601 -0.551 1 1 519 . 13 1 1 A 46 46 GLY CA C 52 44.998 45.250 -0.252 1 1 520 . 13 1 1 A 46 46 GLY N N 52 105.419 105.559 -0.140 1 1 521 . 13 1 1 A 47 47 ALA H H 53 8.152 7.564 0.588 1 1 522 . 13 1 1 A 47 47 ALA HA H 53 4.767 4.839 -0.072 1 1 526 . 13 1 1 A 47 47 ALA C C 53 175.989 175.982 0.007 1 1 527 . 13 1 1 A 47 47 ALA CA C 53 49.918 50.769 -0.851 1 1 528 . 13 1 1 A 47 47 ALA CB C 53 22.720 22.372 0.348 1 1 529 . 13 1 1 A 47 47 ALA N N 53 124.355 122.574 1.781 1 1 530 . 13 1 1 A 48 48 GLU H H 54 8.156 9.223 -1.067 1 1 531 . 13 1 1 A 48 48 GLU HA H 54 5.488 5.335 0.153 1 1 536 . 13 1 1 A 48 48 GLU C C 54 174.224 174.228 -0.004 1 1 537 . 13 1 1 A 48 48 GLU CA C 54 54.346 54.450 -0.104 1 1 538 . 13 1 1 A 48 48 GLU CB C 54 34.305 34.108 0.197 1 1 540 . 13 1 1 A 48 48 GLU N N 54 116.655 116.657 -0.002 1 1 541 . 13 1 1 A 49 49 LYS H H 55 8.852 8.504 0.348 1 1 542 . 13 1 1 A 49 49 LYS HA H 55 4.190 4.945 -0.755 1 1 549 . 13 1 1 A 49 49 LYS C C 55 172.887 175.539 -2.652 1 1 550 . 13 1 1 A 49 49 LYS CA C 55 56.414 54.547 1.867 1 1 551 . 13 1 1 A 49 49 LYS CB C 55 34.723 35.365 -0.642 1 1 554 . 13 1 1 A 49 49 LYS N N 55 122.922 120.318 2.604 1 1 555 . 13 1 1 A 50 50 THR H H 56 7.910 8.523 -0.613 1 1 556 . 13 1 1 A 50 50 THR HA H 56 4.908 4.784 0.124 1 1 561 . 13 1 1 A 50 50 THR C C 56 173.112 173.428 -0.316 1 1 562 . 13 1 1 A 50 50 THR CA C 56 61.998 60.883 1.115 1 1 563 . 13 1 1 A 50 50 THR CB C 56 68.596 70.135 -1.539 1 1 565 . 13 1 1 A 50 50 THR N N 56 120.811 116.302 4.509 1 1 566 . 13 1 1 A 51 51 TYR H H 57 9.432 9.058 0.374 1 1 567 . 13 1 1 A 51 51 TYR HA H 57 4.493 5.191 -0.698 1 1 574 . 13 1 1 A 51 51 TYR C C 57 174.156 175.404 -1.248 1 1 575 . 13 1 1 A 51 51 TYR CA C 57 57.375 55.786 1.589 1 1 576 . 13 1 1 A 51 51 TYR CB C 57 41.895 42.985 -1.090 1 1 577 . 13 1 1 A 51 51 TYR N N 57 127.372 121.069 6.303 1 1 578 . 13 1 1 A 52 52 GLY H H 58 9.154 8.511 0.643 1 1 579 . 13 1 1 A 52 52 GLY HA2 H 58 3.543 4.311 -0.768 1 1 580 . 13 1 1 A 52 52 GLY HA3 H 58 3.543 4.321 -0.778 1 1 581 . 13 1 1 A 52 52 GLY C C 58 172.527 173.993 -1.466 1 1 582 . 13 1 1 A 52 52 GLY CA C 58 42.304 45.802 -3.498 1 1 583 . 13 1 1 A 52 52 GLY N N 58 108.920 108.470 0.450 1 1 584 . 13 1 1 A 53 53 ASN H H 59 8.877 9.042 -0.165 1 1 585 . 13 1 1 A 53 53 ASN HA H 59 4.034 4.648 -0.614 1 1 588 . 13 1 1 A 53 53 ASN C C 59 176.319 174.431 1.888 1 1 589 . 13 1 1 A 53 53 ASN CA C 59 57.108 54.901 2.207 1 1 590 . 13 1 1 A 53 53 ASN CB C 59 39.672 38.660 1.012 1 1 591 . 13 1 1 A 53 53 ASN N N 59 117.281 120.106 -2.825 1 1 592 . 13 1 1 A 54 54 GLY H H 60 8.949 7.552 1.397 1 1 593 . 13 1 1 A 54 54 GLY HA2 H 60 4.222 4.006 0.216 1 1 594 . 13 1 1 A 54 54 GLY HA3 H 60 3.348 4.022 -0.674 1 1 595 . 13 1 1 A 54 54 GLY C C 60 174.096 171.710 2.386 1 1 596 . 13 1 1 A 54 54 GLY CA C 60 44.931 45.856 -0.925 1 1 597 . 13 1 1 A 54 54 GLY N N 60 114.860 105.783 9.077 1 1 598 . 13 1 1 A 55 55 ASP H H 61 7.991 8.797 -0.806 1 1 599 . 13 1 1 A 55 55 ASP HA H 61 4.493 5.024 -0.531 1 1 602 . 13 1 1 A 55 55 ASP C C 61 174.727 174.081 0.646 1 1 603 . 13 1 1 A 55 55 ASP CA C 61 54.408 52.883 1.525 1 1 604 . 13 1 1 A 55 55 ASP CB C 61 41.780 43.043 -1.263 1 1 605 . 13 1 1 A 55 55 ASP N N 61 121.974 123.832 -1.858 1 1 606 . 13 1 1 A 56 56 SER H H 62 8.485 8.366 0.119 1 1 607 . 13 1 1 A 56 56 SER HA H 62 4.959 5.237 -0.278 1 1 610 . 13 1 1 A 56 56 SER C C 62 173.099 172.126 0.973 1 1 611 . 13 1 1 A 56 56 SER CA C 62 57.154 57.315 -0.161 1 1 612 . 13 1 1 A 56 56 SER CB C 62 64.522 65.793 -1.271 1 1 613 . 13 1 1 A 56 56 SER N N 62 113.088 114.718 -1.630 1 1 614 . 13 1 1 A 57 57 LEU H H 63 9.004 9.025 -0.021 1 1 615 . 13 1 1 A 57 57 LEU HA H 63 4.500 5.163 -0.663 1 1 625 . 13 1 1 A 57 57 LEU C C 63 175.943 175.411 0.532 1 1 626 . 13 1 1 A 57 57 LEU CA C 63 53.070 53.449 -0.379 1 1 627 . 13 1 1 A 57 57 LEU CB C 63 43.800 45.819 -2.019 1 1 630 . 13 1 1 A 57 57 LEU N N 63 126.423 123.475 2.948 1 1 631 . 13 1 1 A 58 58 ASN H H 64 8.484 8.761 -0.277 1 1 632 . 13 1 1 A 58 58 ASN HA H 64 4.752 4.905 -0.153 1 1 635 . 13 1 1 A 58 58 ASN C C 64 173.916 175.014 -1.098 1 1 636 . 13 1 1 A 58 58 ASN CA C 64 50.587 53.657 -3.070 1 1 637 . 13 1 1 A 58 58 ASN CB C 64 35.153 38.217 -3.064 1 1 638 . 13 1 1 A 58 58 ASN N N 64 125.624 124.566 1.058 1 1 639 . 13 1 1 A 59 59 THR H H 65 7.747 8.212 -0.465 1 1 640 . 13 1 1 A 59 59 THR HA H 65 4.770 4.612 0.158 1 1 645 . 13 1 1 A 59 59 THR C C 65 177.245 173.838 3.407 1 1 646 . 13 1 1 A 59 59 THR CA C 65 63.213 61.675 1.538 1 1 647 . 13 1 1 A 59 59 THR CB C 65 63.510 69.018 -5.508 1 1 649 . 13 1 1 A 59 59 THR N N 65 113.770 118.115 -4.345 1 1 650 . 13 1 1 A 60 60 GLY H H 66 8.869 8.744 0.125 1 1 651 . 13 1 1 A 60 60 GLY HA2 H 66 3.839 4.053 -0.214 1 1 652 . 13 1 1 A 60 60 GLY HA3 H 66 3.724 4.056 -0.332 1 1 653 . 13 1 1 A 60 60 GLY C C 66 173.279 173.313 -0.034 1 1 654 . 13 1 1 A 60 60 GLY CA C 66 44.892 44.508 0.384 1 1 655 . 13 1 1 A 60 60 GLY N N 66 114.430 114.366 0.064 1 1 656 . 13 1 1 A 61 61 LYS H H 67 6.376 8.389 -2.013 1 1 657 . 13 1 1 A 61 61 LYS HA H 67 4.021 4.378 -0.357 1 1 666 . 13 1 1 A 61 61 LYS C C 67 176.315 176.409 -0.094 1 1 667 . 13 1 1 A 61 61 LYS CA C 67 54.298 55.051 -0.753 1 1 668 . 13 1 1 A 61 61 LYS CB C 67 32.200 31.094 1.106 1 1 672 . 13 1 1 A 61 61 LYS N N 67 112.620 122.282 -9.662 1 1 673 . 13 1 1 A 62 62 LEU H H 68 7.335 8.570 -1.235 1 1 674 . 13 1 1 A 62 62 LEU HA H 68 4.275 4.520 -0.245 1 1 684 . 13 1 1 A 62 62 LEU C C 68 176.306 175.854 0.452 1 1 685 . 13 1 1 A 62 62 LEU CA C 68 52.479 56.171 -3.692 1 1 686 . 13 1 1 A 62 62 LEU CB C 68 40.600 44.318 -3.718 1 1 689 . 13 1 1 A 62 62 LEU N N 68 116.704 127.036 -10.332 1 1 690 . 13 1 1 A 63 63 LYS H H 69 8.506 7.607 0.899 1 1 691 . 13 1 1 A 63 63 LYS HA H 69 3.992 4.659 -0.667 1 1 700 . 13 1 1 A 63 63 LYS C C 69 175.886 175.376 0.510 1 1 701 . 13 1 1 A 63 63 LYS CA C 69 54.986 55.446 -0.460 1 1 702 . 13 1 1 A 63 63 LYS CB C 69 32.447 36.061 -3.614 1 1 706 . 13 1 1 A 63 63 LYS N N 69 119.841 118.244 1.597 1 1 707 . 13 1 1 A 64 64 ASN H H 70 8.080 8.596 -0.516 1 1 708 . 13 1 1 A 64 64 ASN HA H 70 3.839 4.497 -0.658 1 1 713 . 13 1 1 A 64 64 ASN C C 70 174.449 175.597 -1.148 1 1 714 . 13 1 1 A 64 64 ASN CA C 70 54.417 56.247 -1.830 1 1 715 . 13 1 1 A 64 64 ASN CB C 70 38.129 38.914 -0.785 1 1 716 . 13 1 1 A 64 64 ASN N N 70 121.515 120.276 1.239 1 1 718 . 13 1 1 A 65 65 ASP H H 71 9.218 7.702 1.516 1 1 719 . 13 1 1 A 65 65 ASP HA H 71 3.690 5.246 -1.556 1 1 722 . 13 1 1 A 65 65 ASP C C 71 173.016 174.785 -1.769 1 1 723 . 13 1 1 A 65 65 ASP CA C 71 54.726 53.260 1.466 1 1 724 . 13 1 1 A 65 65 ASP CB C 71 38.534 40.996 -2.462 1 1 725 . 13 1 1 A 65 65 ASP N N 71 113.370 112.503 0.867 1 1 726 . 13 1 1 A 66 66 LYS H H 72 6.443 8.904 -2.461 1 1 727 . 13 1 1 A 66 66 LYS HA H 72 4.411 4.884 -0.473 1 1 734 . 13 1 1 A 66 66 LYS C C 72 174.745 174.924 -0.179 1 1 735 . 13 1 1 A 66 66 LYS CA C 72 53.094 54.452 -1.358 1 1 736 . 13 1 1 A 66 66 LYS CB C 72 36.099 36.005 0.094 1 1 739 . 13 1 1 A 66 66 LYS N N 72 113.415 121.100 -7.685 1 1 740 . 13 1 1 A 67 67 VAL H H 73 8.679 8.057 0.622 1 1 741 . 13 1 1 A 67 67 VAL HA H 73 4.189 3.869 0.320 1 1 749 . 13 1 1 A 67 67 VAL C C 73 176.630 175.319 1.311 1 1 750 . 13 1 1 A 67 67 VAL CA C 73 62.135 61.143 0.992 1 1 751 . 13 1 1 A 67 67 VAL CB C 73 32.001 32.530 -0.529 1 1 753 . 13 1 1 A 67 67 VAL N N 73 122.098 119.460 2.638 1 1 754 . 13 1 1 A 68 68 SER H H 74 9.497 8.982 0.515 1 1 755 . 13 1 1 A 68 68 SER HA H 74 4.507 5.092 -0.585 1 1 758 . 13 1 1 A 68 68 SER C C 74 172.249 172.927 -0.678 1 1 759 . 13 1 1 A 68 68 SER CA C 74 58.323 56.934 1.389 1 1 760 . 13 1 1 A 68 68 SER CB C 74 64.028 66.195 -2.167 1 1 761 . 13 1 1 A 68 68 SER N N 74 127.048 120.614 6.434 1 1 762 . 13 1 1 A 69 69 ARG H H 75 7.848 8.430 -0.582 1 1 763 . 13 1 1 A 69 69 ARG HA H 75 5.031 4.773 0.258 1 1 770 . 13 1 1 A 69 69 ARG C C 75 173.300 175.520 -2.220 1 1 771 . 13 1 1 A 69 69 ARG CA C 75 55.337 55.572 -0.235 1 1 772 . 13 1 1 A 69 69 ARG CB C 75 31.871 31.276 0.595 1 1 775 . 13 1 1 A 69 69 ARG N N 75 122.621 122.416 0.205 1 1 776 . 13 1 1 A 70 70 PHE H H 76 9.246 8.765 0.481 1 1 777 . 13 1 1 A 70 70 PHE HA H 76 4.808 5.045 -0.237 1 1 784 . 13 1 1 A 70 70 PHE C C 76 175.788 174.632 1.156 1 1 785 . 13 1 1 A 70 70 PHE CA C 76 55.245 56.590 -1.345 1 1 786 . 13 1 1 A 70 70 PHE CB C 76 43.645 43.732 -0.087 1 1 787 . 13 1 1 A 70 70 PHE N N 76 118.087 120.596 -2.509 1 1 788 . 13 1 1 A 71 71 ASP H H 77 9.144 8.750 0.394 1 1 789 . 13 1 1 A 71 71 ASP HA H 77 5.360 5.437 -0.077 1 1 792 . 13 1 1 A 71 71 ASP C C 77 176.477 175.595 0.882 1 1 793 . 13 1 1 A 71 71 ASP CA C 77 55.131 53.317 1.814 1 1 794 . 13 1 1 A 71 71 ASP CB C 77 41.301 43.354 -2.053 1 1 795 . 13 1 1 A 71 71 ASP N N 77 123.565 121.361 2.204 1 1 796 . 13 1 1 A 72 72 PHE H H 78 9.094 8.750 0.344 1 1 797 . 13 1 1 A 72 72 PHE HA H 78 6.431 5.425 1.006 1 1 805 . 13 1 1 A 72 72 PHE C C 78 174.014 173.453 0.561 1 1 806 . 13 1 1 A 72 72 PHE CA C 78 54.934 56.994 -2.060 1 1 807 . 13 1 1 A 72 72 PHE CB C 78 42.491 42.897 -0.406 1 1 808 . 13 1 1 A 72 72 PHE N N 78 119.663 123.258 -3.595 1 1 809 . 13 1 1 A 73 73 ILE H H 79 8.623 8.850 -0.227 1 1 810 . 13 1 1 A 73 73 ILE HA H 79 4.334 5.188 -0.854 1 1 820 . 13 1 1 A 73 73 ILE C C 79 173.961 174.893 -0.932 1 1 821 . 13 1 1 A 73 73 ILE CA C 79 61.222 59.826 1.396 1 1 822 . 13 1 1 A 73 73 ILE CB C 79 41.918 42.409 -0.491 1 1 826 . 13 1 1 A 73 73 ILE N N 79 119.750 126.576 -6.826 1 1 827 . 13 1 1 A 74 74 ARG H H 80 9.052 8.937 0.115 1 1 828 . 13 1 1 A 74 74 ARG HA H 80 5.311 4.973 0.338 1 1 835 . 13 1 1 A 74 74 ARG C C 80 174.870 175.601 -0.731 1 1 836 . 13 1 1 A 74 74 ARG CA C 80 54.449 55.531 -1.082 1 1 837 . 13 1 1 A 74 74 ARG CB C 80 33.740 32.705 1.035 1 1 840 . 13 1 1 A 74 74 ARG N N 80 128.407 126.551 1.856 1 1 841 . 13 1 1 A 75 75 GLN H H 81 9.304 8.503 0.801 1 1 842 . 13 1 1 A 75 75 GLN HA H 81 5.562 5.207 0.355 1 1 849 . 13 1 1 A 75 75 GLN C C 81 173.678 174.019 -0.341 1 1 850 . 13 1 1 A 75 75 GLN CA C 81 53.745 54.622 -0.877 1 1 851 . 13 1 1 A 75 75 GLN CB C 81 34.013 32.770 1.243 1 1 853 . 13 1 1 A 75 75 GLN N N 81 125.481 117.009 8.472 1 1 855 . 13 1 1 A 76 76 ILE H H 82 8.592 8.636 -0.044 1 1 856 . 13 1 1 A 76 76 ILE HA H 82 4.576 4.768 -0.192 1 1 866 . 13 1 1 A 76 76 ILE C C 82 172.511 173.539 -1.028 1 1 867 . 13 1 1 A 76 76 ILE CA C 82 59.622 59.208 0.414 1 1 868 . 13 1 1 A 76 76 ILE CB C 82 42.248 40.103 2.145 1 1 872 . 13 1 1 A 76 76 ILE N N 82 115.536 121.194 -5.658 1 1 873 . 13 1 1 A 77 77 GLU H H 83 8.433 8.752 -0.319 1 1 874 . 13 1 1 A 77 77 GLU HA H 83 4.936 4.853 0.083 1 1 879 . 13 1 1 A 77 77 GLU C C 83 175.614 175.355 0.259 1 1 880 . 13 1 1 A 77 77 GLU CA C 83 54.812 55.583 -0.771 1 1 881 . 13 1 1 A 77 77 GLU CB C 83 30.465 30.287 0.178 1 1 883 . 13 1 1 A 77 77 GLU N N 83 124.858 126.597 -1.739 1 1 884 . 13 1 1 A 78 78 VAL H H 84 8.879 7.545 1.334 1 1 885 . 13 1 1 A 78 78 VAL HA H 84 4.076 3.992 0.084 1 1 893 . 13 1 1 A 78 78 VAL C C 84 175.694 175.554 0.140 1 1 894 . 13 1 1 A 78 78 VAL CA C 84 61.382 62.670 -1.288 1 1 895 . 13 1 1 A 78 78 VAL CB C 84 34.014 31.613 2.401 1 1 897 . 13 1 1 A 78 78 VAL N N 84 126.973 119.040 7.933 1 1 898 . 13 1 1 A 79 79 ASP H H 85 9.329 9.515 -0.186 1 1 899 . 13 1 1 A 79 79 ASP HA H 85 4.156 4.347 -0.191 1 1 902 . 13 1 1 A 79 79 ASP C C 85 175.774 176.317 -0.543 1 1 903 . 13 1 1 A 79 79 ASP CA C 85 55.125 55.504 -0.379 1 1 904 . 13 1 1 A 79 79 ASP CB C 85 38.926 39.514 -0.588 1 1 905 . 13 1 1 A 79 79 ASP N N 85 129.387 122.577 6.810 1 1 906 . 13 1 1 A 80 80 GLY H H 86 8.575 8.773 -0.198 1 1 907 . 13 1 1 A 80 80 GLY HA2 H 86 3.992 3.857 0.135 1 1 908 . 13 1 1 A 80 80 GLY HA3 H 86 3.507 3.857 -0.350 1 1 909 . 13 1 1 A 80 80 GLY C C 86 173.366 173.787 -0.421 1 1 910 . 13 1 1 A 80 80 GLY CA C 86 44.759 45.498 -0.739 1 1 911 . 13 1 1 A 80 80 GLY N N 86 103.293 104.682 -1.389 1 1 912 . 13 1 1 A 81 81 GLN H H 87 7.751 7.981 -0.230 1 1 913 . 13 1 1 A 81 81 GLN HA H 87 4.482 4.496 -0.014 1 1 918 . 13 1 1 A 81 81 GLN C C 87 173.874 174.912 -1.038 1 1 919 . 13 1 1 A 81 81 GLN CA C 87 53.328 55.177 -1.849 1 1 920 . 13 1 1 A 81 81 GLN CB C 87 30.670 30.162 0.508 1 1 922 . 13 1 1 A 81 81 GLN N N 87 119.688 119.875 -0.187 1 1 923 . 13 1 1 A 82 82 LEU H H 88 8.418 9.306 -0.888 1 1 924 . 13 1 1 A 82 82 LEU HA H 88 4.630 5.174 -0.544 1 1 934 . 13 1 1 A 82 82 LEU C C 88 176.289 176.104 0.185 1 1 935 . 13 1 1 A 82 82 LEU CA C 88 53.834 53.506 0.328 1 1 936 . 13 1 1 A 82 82 LEU CB C 88 41.737 43.198 -1.461 1 1 940 . 13 1 1 A 82 82 LEU N N 88 123.523 125.296 -1.773 1 1 941 . 13 1 1 A 83 83 ILE H H 89 9.146 9.111 0.035 1 1 942 . 13 1 1 A 83 83 ILE HA H 89 4.249 5.098 -0.849 1 1 952 . 13 1 1 A 83 83 ILE C C 89 175.698 175.425 0.273 1 1 953 . 13 1 1 A 83 83 ILE CA C 89 59.363 59.155 0.208 1 1 954 . 13 1 1 A 83 83 ILE CB C 89 39.633 42.309 -2.676 1 1 958 . 13 1 1 A 83 83 ILE N N 89 127.151 119.544 7.607 1 1 959 . 13 1 1 A 84 84 THR H H 90 8.656 8.974 -0.318 1 1 960 . 13 1 1 A 84 84 THR HA H 90 4.203 4.741 -0.538 1 1 965 . 13 1 1 A 84 84 THR C C 90 172.890 174.462 -1.572 1 1 966 . 13 1 1 A 84 84 THR CA C 90 62.641 60.831 1.810 1 1 967 . 13 1 1 A 84 84 THR CB C 90 68.634 69.540 -0.906 1 1 969 . 13 1 1 A 84 84 THR N N 90 123.099 118.093 5.006 1 1 970 . 13 1 1 A 85 85 LEU H H 91 8.967 7.654 1.313 1 1 971 . 13 1 1 A 85 85 LEU HA H 91 4.256 4.661 -0.405 1 1 980 . 13 1 1 A 85 85 LEU C C 91 177.371 174.840 2.531 1 1 981 . 13 1 1 A 85 85 LEU CA C 91 55.527 53.523 2.004 1 1 982 . 13 1 1 A 85 85 LEU CB C 91 44.315 42.335 1.980 1 1 984 . 13 1 1 A 85 85 LEU N N 91 125.333 122.206 3.127 1 1 985 . 13 1 1 A 86 86 GLU H H 92 7.503 7.869 -0.366 1 1 986 . 13 1 1 A 86 86 GLU HA H 92 5.026 5.027 -0.001 1 1 991 . 13 1 1 A 86 86 GLU C C 92 172.723 175.405 -2.682 1 1 992 . 13 1 1 A 86 86 GLU CA C 92 54.670 55.241 -0.571 1 1 993 . 13 1 1 A 86 86 GLU CB C 92 33.717 31.749 1.968 1 1 995 . 13 1 1 A 86 86 GLU N N 92 116.655 118.567 -1.912 1 1 996 . 13 1 1 A 87 87 SER H H 93 8.954 8.451 0.503 1 1 997 . 13 1 1 A 87 87 SER HA H 93 4.245 5.717 -1.472 1 1 1000 . 13 1 1 A 87 87 SER C C 93 172.763 173.541 -0.778 1 1 1001 . 13 1 1 A 87 87 SER CA C 93 57.328 57.484 -0.156 1 1 1002 . 13 1 1 A 87 87 SER CB C 93 65.493 66.781 -1.288 1 1 1003 . 13 1 1 A 87 87 SER N N 93 117.941 120.058 -2.117 1 1 1004 . 13 1 1 A 88 88 GLY H H 94 6.932 8.445 -1.513 1 1 1005 . 13 1 1 A 88 88 GLY HA2 H 94 3.694 4.313 -0.619 1 1 1006 . 13 1 1 A 88 88 GLY HA3 H 94 3.694 4.326 -0.632 1 1 1007 . 13 1 1 A 88 88 GLY C C 94 171.117 172.088 -0.971 1 1 1008 . 13 1 1 A 88 88 GLY CA C 94 46.575 45.900 0.675 1 1 1009 . 13 1 1 A 88 88 GLY N N 94 108.625 109.667 -1.042 1 1 1010 . 13 1 1 A 89 89 GLU H H 95 9.669 8.934 0.735 1 1 1011 . 13 1 1 A 89 89 GLU HA H 95 5.642 4.682 0.960 1 1 1016 . 13 1 1 A 89 89 GLU C C 95 173.226 175.964 -2.738 1 1 1017 . 13 1 1 A 89 89 GLU CA C 95 54.786 56.166 -1.380 1 1 1018 . 13 1 1 A 89 89 GLU CB C 95 34.334 30.245 4.089 1 1 1020 . 13 1 1 A 89 89 GLU N N 95 128.231 120.642 7.589 1 1 1021 . 13 1 1 A 90 90 PHE H H 96 10.365 8.628 1.737 1 1 1022 . 13 1 1 A 90 90 PHE HA H 96 5.048 4.243 0.805 1 1 1029 . 13 1 1 A 90 90 PHE C C 96 173.039 173.844 -0.805 1 1 1030 . 13 1 1 A 90 90 PHE CA C 96 54.616 56.949 -2.333 1 1 1031 . 13 1 1 A 90 90 PHE CB C 96 42.090 39.083 3.007 1 1 1032 . 13 1 1 A 90 90 PHE N N 96 131.583 129.000 2.583 1 1 1033 . 13 1 1 A 91 91 GLN H H 97 8.685 8.636 0.049 1 1 1034 . 13 1 1 A 91 91 GLN HA H 97 4.959 4.866 0.093 1 1 1041 . 13 1 1 A 91 91 GLN C C 97 174.151 174.453 -0.302 1 1 1042 . 13 1 1 A 91 91 GLN CA C 97 53.174 54.596 -1.422 1 1 1043 . 13 1 1 A 91 91 GLN CB C 97 28.812 30.621 -1.809 1 1 1045 . 13 1 1 A 91 91 GLN N N 97 126.465 127.773 -1.308 1 1 1047 . 13 1 1 A 92 92 VAL H H 98 8.675 8.992 -0.317 1 1 1048 . 13 1 1 A 92 92 VAL HA H 98 4.569 4.431 0.138 1 1 1056 . 13 1 1 A 92 92 VAL C C 98 173.802 173.945 -0.143 1 1 1057 . 13 1 1 A 92 92 VAL CA C 98 59.715 61.264 -1.549 1 1 1058 . 13 1 1 A 92 92 VAL CB C 98 35.074 33.128 1.946 1 1 1061 . 13 1 1 A 92 92 VAL N N 98 118.841 127.217 -8.376 1 1 1062 . 13 1 1 A 93 93 TYR H H 99 8.896 9.092 -0.196 1 1 1063 . 13 1 1 A 93 93 TYR HA H 99 4.940 4.684 0.256 1 1 1070 . 13 1 1 A 93 93 TYR C C 99 173.330 174.126 -0.796 1 1 1071 . 13 1 1 A 93 93 TYR CA C 99 56.948 57.127 -0.179 1 1 1072 . 13 1 1 A 93 93 TYR CB C 99 40.780 39.487 1.293 1 1 1073 . 13 1 1 A 93 93 TYR N N 99 127.563 128.867 -1.304 1 1 1074 . 13 1 1 A 94 94 LYS H H 100 5.813 9.380 -3.567 1 1 1075 . 13 1 1 A 94 94 LYS HA H 100 4.248 4.958 -0.710 1 1 1082 . 13 1 1 A 94 94 LYS CA C 100 55.660 55.005 0.655 1 1 1083 . 13 1 1 A 94 94 LYS CB C 100 35.870 34.561 1.309 1 1 1084 . 13 1 1 A 94 94 LYS N N 100 128.378 125.338 3.040 1 1 1085 . 13 1 1 A 95 95 GLN H H 101 8.438 8.361 0.077 1 1 1086 . 13 1 1 A 95 95 GLN HA H 101 5.028 4.843 0.185 1 1 1091 . 13 1 1 A 95 95 GLN C C 101 174.080 174.741 -0.661 1 1 1092 . 13 1 1 A 95 95 GLN CA C 101 54.043 53.854 0.189 1 1 1093 . 13 1 1 A 95 95 GLN CB C 101 27.209 32.176 -4.967 1 1 1095 . 13 1 1 A 95 95 GLN N N 101 125.809 126.915 -1.106 1 1 1096 . 13 1 1 A 96 96 SER H H 102 9.057 8.738 0.319 1 1 1097 . 13 1 1 A 96 96 SER HA H 102 3.041 4.407 -1.366 1 1 1100 . 13 1 1 A 96 96 SER CA C 102 62.985 58.137 4.848 1 1 1101 . 13 1 1 A 96 96 SER CB C 102 63.242 64.096 -0.854 1 1 1102 . 13 1 1 A 96 96 SER N N 102 117.650 116.893 0.757 1 1 1103 . 13 1 1 A 97 97 HIS H H 103 10.115 8.108 2.007 1 1 1104 . 13 1 1 A 97 97 HIS HA H 103 4.406 4.131 0.275 1 1 1109 . 13 1 1 A 97 97 HIS CA C 103 53.809 57.385 -3.576 1 1 1110 . 13 1 1 A 97 97 HIS CB C 103 30.329 27.791 2.538 1 1 1111 . 13 1 1 A 97 97 HIS N N 103 118.385 117.921 0.464 1 1 1112 . 13 1 1 A 98 98 SER H H 104 7.241 7.439 -0.198 1 1 1113 . 13 1 1 A 98 98 SER HA H 104 4.406 4.908 -0.502 1 1 1116 . 13 1 1 A 98 98 SER CA C 104 56.712 57.533 -0.821 1 1 1117 . 13 1 1 A 98 98 SER CB C 104 65.461 64.966 0.495 1 1 1118 . 13 1 1 A 98 98 SER N N 104 112.298 110.944 1.354 1 1 1119 . 13 1 1 A 99 99 ALA H H 105 8.418 8.592 -0.174 1 1 1120 . 13 1 1 A 99 99 ALA HA H 105 4.753 4.887 -0.134 1 1 1124 . 13 1 1 A 99 99 ALA C C 105 173.181 175.909 -2.728 1 1 1125 . 13 1 1 A 99 99 ALA CA C 105 51.363 51.720 -0.357 1 1 1126 . 13 1 1 A 99 99 ALA CB C 105 22.271 23.258 -0.987 1 1 1127 . 13 1 1 A 99 99 ALA N N 105 116.790 121.519 -4.729 1 1 1128 . 13 1 1 A 100 100 LEU H H 106 8.376 8.321 0.055 1 1 1129 . 13 1 1 A 100 100 LEU HA H 106 5.549 5.240 0.309 1 1 1139 . 13 1 1 A 100 100 LEU C C 106 175.338 174.754 0.584 1 1 1140 . 13 1 1 A 100 100 LEU CA C 106 53.753 53.102 0.651 1 1 1141 . 13 1 1 A 100 100 LEU CB C 106 46.393 46.292 0.101 1 1 1145 . 13 1 1 A 100 100 LEU N N 106 115.214 117.043 -1.829 1 1 1146 . 13 1 1 A 101 101 THR H H 107 8.685 8.905 -0.220 1 1 1147 . 13 1 1 A 101 101 THR HA H 107 5.287 5.012 0.275 1 1 1152 . 13 1 1 A 101 101 THR C C 107 172.493 172.788 -0.295 1 1 1153 . 13 1 1 A 101 101 THR CA C 107 57.069 59.529 -2.460 1 1 1154 . 13 1 1 A 101 101 THR CB C 107 71.308 71.699 -0.391 1 1 1156 . 13 1 1 A 101 101 THR N N 107 109.441 115.980 -6.539 1 1 1157 . 13 1 1 A 102 102 ALA H H 108 8.459 8.237 0.222 1 1 1158 . 13 1 1 A 102 102 ALA HA H 108 4.366 5.107 -0.741 1 1 1162 . 13 1 1 A 102 102 ALA C C 108 173.439 175.945 -2.506 1 1 1163 . 13 1 1 A 102 102 ALA CA C 108 51.015 50.426 0.589 1 1 1164 . 13 1 1 A 102 102 ALA CB C 108 23.424 23.550 -0.126 1 1 1165 . 13 1 1 A 102 102 ALA N N 108 120.716 126.540 -5.824 1 1 1166 . 13 1 1 A 103 103 PHE H H 109 8.510 8.489 0.021 1 1 1167 . 13 1 1 A 103 103 PHE HA H 109 4.715 5.083 -0.368 1 1 1175 . 13 1 1 A 103 103 PHE C C 109 174.173 174.771 -0.598 1 1 1176 . 13 1 1 A 103 103 PHE CA C 109 56.640 56.139 0.501 1 1 1177 . 13 1 1 A 103 103 PHE CB C 109 41.926 41.821 0.105 1 1 1178 . 13 1 1 A 103 103 PHE N N 109 115.041 118.251 -3.210 1 1 1179 . 13 1 1 A 104 104 GLN H H 110 9.832 8.706 1.126 1 1 1180 . 13 1 1 A 104 104 GLN HA H 110 5.226 4.983 0.243 1 1 1187 . 13 1 1 A 104 104 GLN C C 110 175.186 174.245 0.941 1 1 1188 . 13 1 1 A 104 104 GLN CA C 110 53.213 55.537 -2.324 1 1 1189 . 13 1 1 A 104 104 GLN CB C 110 29.161 30.355 -1.194 1 1 1191 . 13 1 1 A 104 104 GLN N N 110 124.526 121.604 2.922 1 1 1193 . 13 1 1 A 105 105 THR H H 111 9.566 9.074 0.492 1 1 1194 . 13 1 1 A 105 105 THR HA H 111 4.186 4.720 -0.534 1 1 1199 . 13 1 1 A 105 105 THR C C 111 174.538 173.948 0.590 1 1 1200 . 13 1 1 A 105 105 THR CA C 111 66.408 60.932 5.476 1 1 1201 . 13 1 1 A 105 105 THR CB C 111 69.385 70.256 -0.871 1 1 1203 . 13 1 1 A 105 105 THR N N 111 126.760 121.722 5.038 1 1 1204 . 13 1 1 A 106 106 GLU H H 112 9.303 8.971 0.332 1 1 1205 . 13 1 1 A 106 106 GLU HA H 112 4.811 4.785 0.026 1 1 1210 . 13 1 1 A 106 106 GLU C C 112 177.397 176.636 0.761 1 1 1211 . 13 1 1 A 106 106 GLU CA C 112 56.227 57.100 -0.873 1 1 1212 . 13 1 1 A 106 106 GLU CB C 112 31.283 32.254 -0.971 1 1 1214 . 13 1 1 A 106 106 GLU N N 112 121.685 124.303 -2.618 1 1 1215 . 13 1 1 A 107 107 GLN H H 113 7.954 7.706 0.248 1 1 1216 . 13 1 1 A 107 107 GLN HA H 113 5.233 5.052 0.181 1 1 1221 . 13 1 1 A 107 107 GLN C C 113 173.999 173.754 0.245 1 1 1222 . 13 1 1 A 107 107 GLN CA C 113 53.837 54.495 -0.658 1 1 1223 . 13 1 1 A 107 107 GLN CB C 113 32.543 32.941 -0.398 1 1 1225 . 13 1 1 A 107 107 GLN N N 113 117.612 117.077 0.535 1 1 1226 . 13 1 1 A 108 108 ILE H H 114 8.969 8.606 0.363 1 1 1227 . 13 1 1 A 108 108 ILE HA H 114 4.907 4.937 -0.030 1 1 1237 . 13 1 1 A 108 108 ILE C C 114 174.089 173.163 0.926 1 1 1238 . 13 1 1 A 108 108 ILE CA C 114 58.954 59.209 -0.255 1 1 1239 . 13 1 1 A 108 108 ILE CB C 114 42.799 42.087 0.712 1 1 1243 . 13 1 1 A 108 108 ILE N N 114 115.049 122.205 -7.156 1 1 1244 . 13 1 1 A 109 109 GLN H H 115 7.421 8.483 -1.062 1 1 1245 . 13 1 1 A 109 109 GLN HA H 115 4.405 4.366 0.039 1 1 1252 . 13 1 1 A 109 109 GLN C C 115 175.654 174.672 0.982 1 1 1253 . 13 1 1 A 109 109 GLN CA C 115 56.086 55.961 0.125 1 1 1254 . 13 1 1 A 109 109 GLN CB C 115 28.483 29.869 -1.386 1 1 1256 . 13 1 1 A 109 109 GLN N N 115 121.959 127.758 -5.799 1 1 1258 . 13 1 1 A 110 110 ASP H H 116 8.569 8.690 -0.121 1 1 1259 . 13 1 1 A 110 110 ASP HA H 116 4.377 5.020 -0.643 1 1 1262 . 13 1 1 A 110 110 ASP C C 116 176.662 175.948 0.714 1 1 1263 . 13 1 1 A 110 110 ASP CA C 116 53.511 53.025 0.486 1 1 1264 . 13 1 1 A 110 110 ASP CB C 116 41.187 44.545 -3.358 1 1 1265 . 13 1 1 A 110 110 ASP N N 116 125.621 122.636 2.985 1 1 1266 . 13 1 1 A 111 111 SER H H 117 8.445 8.473 -0.028 1 1 1267 . 13 1 1 A 111 111 SER HA H 117 4.024 4.855 -0.831 1 1 1270 . 13 1 1 A 111 111 SER C C 117 174.783 174.873 -0.090 1 1 1271 . 13 1 1 A 111 111 SER CA C 117 60.782 57.138 3.644 1 1 1272 . 13 1 1 A 111 111 SER CB C 117 62.560 63.991 -1.431 1 1 1273 . 13 1 1 A 111 111 SER N N 117 120.732 117.179 3.553 1 1 1274 . 13 1 1 A 112 112 GLU H H 118 8.246 8.435 -0.189 1 1 1275 . 13 1 1 A 112 112 GLU HA H 118 4.044 4.689 -0.645 1 1 1280 . 13 1 1 A 112 112 GLU C C 118 175.899 177.734 -1.835 1 1 1281 . 13 1 1 A 112 112 GLU CA C 118 56.016 56.780 -0.764 1 1 1282 . 13 1 1 A 112 112 GLU CB C 118 29.853 31.817 -1.964 1 1 1284 . 13 1 1 A 112 112 GLU N N 118 119.367 118.805 0.562 1 1 1285 . 13 1 1 A 113 113 HIS H H 119 7.418 8.403 -0.985 1 1 1286 . 13 1 1 A 113 113 HIS HA H 119 4.607 4.375 0.232 1 1 1291 . 13 1 1 A 113 113 HIS C C 119 173.527 175.700 -2.173 1 1 1292 . 13 1 1 A 113 113 HIS CA C 119 54.515 58.904 -4.389 1 1 1293 . 13 1 1 A 113 113 HIS CB C 119 28.667 30.936 -2.269 1 1 1294 . 13 1 1 A 113 113 HIS N N 119 117.287 118.670 -1.383 1 1 1295 . 13 1 1 A 114 114 SER H H 120 8.398 8.612 -0.214 1 1 1296 . 13 1 1 A 114 114 SER HA H 120 4.183 4.754 -0.571 1 1 1299 . 13 1 1 A 114 114 SER C C 120 175.690 174.883 0.807 1 1 1300 . 13 1 1 A 114 114 SER CA C 120 59.149 57.667 1.482 1 1 1301 . 13 1 1 A 114 114 SER CB C 120 62.820 65.913 -3.093 1 1 1302 . 13 1 1 A 114 114 SER N N 120 116.771 112.448 4.323 1 1 1303 . 13 1 1 A 115 115 GLY H H 121 8.733 8.329 0.404 1 1 1304 . 13 1 1 A 115 115 GLY HA2 H 121 4.052 3.949 0.103 1 1 1305 . 13 1 1 A 115 115 GLY HA3 H 121 3.724 3.956 -0.232 1 1 1306 . 13 1 1 A 115 115 GLY C C 121 173.540 174.121 -0.581 1 1 1307 . 13 1 1 A 115 115 GLY CA C 121 44.692 46.014 -1.322 1 1 1308 . 13 1 1 A 115 115 GLY N N 121 112.197 110.247 1.950 1 1 1309 . 13 1 1 A 116 116 LYS H H 122 7.796 7.857 -0.061 1 1 1310 . 13 1 1 A 116 116 LYS HA H 122 4.465 4.694 -0.229 1 1 1317 . 13 1 1 A 116 116 LYS C C 122 175.090 175.913 -0.823 1 1 1318 . 13 1 1 A 116 116 LYS CA C 122 55.122 54.566 0.556 1 1 1319 . 13 1 1 A 116 116 LYS CB C 122 33.861 34.205 -0.344 1 1 1322 . 13 1 1 A 116 116 LYS N N 122 120.212 119.128 1.084 1 1 1323 . 13 1 1 A 117 117 MET H H 123 8.348 8.806 -0.458 1 1 1324 . 13 1 1 A 117 117 MET HA H 123 5.082 5.459 -0.377 1 1 1332 . 13 1 1 A 117 117 MET C C 123 176.210 175.497 0.713 1 1 1333 . 13 1 1 A 117 117 MET CA C 123 52.928 53.259 -0.331 1 1 1334 . 13 1 1 A 117 117 MET CB C 123 33.841 35.401 -1.560 1 1 1337 . 13 1 1 A 117 117 MET N N 123 119.755 118.397 1.358 1 1 1338 . 13 1 1 A 118 118 VAL H H 124 9.242 8.677 0.565 1 1 1339 . 13 1 1 A 118 118 VAL HA H 124 4.469 4.974 -0.505 1 1 1347 . 13 1 1 A 118 118 VAL C C 124 173.967 173.986 -0.019 1 1 1348 . 13 1 1 A 118 118 VAL CA C 124 59.056 58.985 0.071 1 1 1349 . 13 1 1 A 118 118 VAL CB C 124 34.376 35.694 -1.318 1 1 1351 . 13 1 1 A 118 118 VAL N N 124 118.546 112.629 5.917 1 1 1352 . 13 1 1 A 119 119 ALA H H 125 8.327 8.794 -0.467 1 1 1353 . 13 1 1 A 119 119 ALA HA H 125 4.624 5.037 -0.413 1 1 1357 . 13 1 1 A 119 119 ALA C C 125 177.165 176.357 0.808 1 1 1358 . 13 1 1 A 119 119 ALA CA C 125 52.043 50.648 1.395 1 1 1359 . 13 1 1 A 119 119 ALA CB C 125 18.232 19.750 -1.518 1 1 1360 . 13 1 1 A 119 119 ALA N N 125 125.947 125.057 0.890 1 1 1361 . 13 1 1 A 120 120 LYS H H 126 7.604 8.799 -1.195 1 1 1362 . 13 1 1 A 120 120 LYS HA H 126 4.046 4.811 -0.765 1 1 1371 . 13 1 1 A 120 120 LYS C C 126 172.631 175.644 -3.013 1 1 1372 . 13 1 1 A 120 120 LYS CA C 126 56.023 54.607 1.416 1 1 1373 . 13 1 1 A 120 120 LYS CB C 126 34.482 35.569 -1.087 1 1 1377 . 13 1 1 A 120 120 LYS N N 126 126.149 123.383 2.766 1 1 1378 . 13 1 1 A 121 121 ARG H H 127 8.308 8.580 -0.272 1 1 1379 . 13 1 1 A 121 121 ARG HA H 127 4.901 4.493 0.408 1 1 1384 . 13 1 1 A 121 121 ARG C C 127 176.253 175.133 1.120 1 1 1385 . 13 1 1 A 121 121 ARG CA C 127 55.564 55.290 0.274 1 1 1386 . 13 1 1 A 121 121 ARG CB C 127 28.273 28.541 -0.268 1 1 1388 . 13 1 1 A 121 121 ARG N N 127 122.760 125.266 -2.506 1 1 1389 . 13 1 1 A 122 122 GLN H H 128 7.529 8.470 -0.941 1 1 1390 . 13 1 1 A 122 122 GLN HA H 128 4.541 4.632 -0.091 1 1 1397 . 13 1 1 A 122 122 GLN C C 128 172.163 174.584 -2.421 1 1 1398 . 13 1 1 A 122 122 GLN CA C 128 54.218 55.496 -1.278 1 1 1399 . 13 1 1 A 122 122 GLN CB C 128 32.064 29.328 2.736 1 1 1401 . 13 1 1 A 122 122 GLN N N 128 121.022 124.048 -3.026 1 1 1403 . 13 1 1 A 123 123 PHE H H 129 8.620 8.882 -0.262 1 1 1404 . 13 1 1 A 123 123 PHE HA H 129 6.040 5.640 0.400 1 1 1411 . 13 1 1 A 123 123 PHE C C 129 174.530 173.555 0.975 1 1 1412 . 13 1 1 A 123 123 PHE CA C 129 56.026 56.399 -0.373 1 1 1413 . 13 1 1 A 123 123 PHE CB C 129 42.143 42.615 -0.472 1 1 1414 . 13 1 1 A 123 123 PHE N N 129 125.540 128.120 -2.580 1 1 1415 . 13 1 1 A 124 124 ARG H H 130 8.018 7.677 0.341 1 1 1416 . 13 1 1 A 124 124 ARG HA H 130 4.366 4.559 -0.193 1 1 1423 . 13 1 1 A 124 124 ARG C C 130 172.139 174.305 -2.166 1 1 1424 . 13 1 1 A 124 124 ARG CA C 130 53.422 53.629 -0.207 1 1 1425 . 13 1 1 A 124 124 ARG CB C 130 32.310 34.128 -1.818 1 1 1428 . 13 1 1 A 124 124 ARG N N 130 125.264 126.285 -1.021 1 1 1429 . 13 1 1 A 125 125 ILE H H 131 8.462 8.023 0.439 1 1 1430 . 13 1 1 A 125 125 ILE HA H 131 3.883 4.290 -0.407 1 1 1440 . 13 1 1 A 125 125 ILE C C 131 175.487 175.092 0.395 1 1 1441 . 13 1 1 A 125 125 ILE CA C 131 58.339 61.612 -3.273 1 1 1442 . 13 1 1 A 125 125 ILE CB C 131 35.673 39.087 -3.414 1 1 1446 . 13 1 1 A 125 125 ILE N N 131 121.887 124.025 -2.138 1 1 1447 . 13 1 1 A 126 126 GLY H H 132 8.814 7.999 0.815 1 1 1448 . 13 1 1 A 126 126 GLY HA2 H 132 4.062 4.200 -0.138 1 1 1449 . 13 1 1 A 126 126 GLY HA3 H 132 4.062 4.227 -0.165 1 1 1450 . 13 1 1 A 126 126 GLY C C 132 171.583 172.133 -0.550 1 1 1451 . 13 1 1 A 126 126 GLY CA C 132 44.157 44.104 0.053 1 1 1452 . 13 1 1 A 126 126 GLY N N 132 115.675 114.669 1.006 1 1 1453 . 13 1 1 A 127 127 ASP H H 133 7.914 8.376 -0.462 1 1 1454 . 13 1 1 A 127 127 ASP HA H 133 4.584 4.665 -0.081 1 1 1457 . 13 1 1 A 127 127 ASP C C 133 174.132 175.730 -1.598 1 1 1458 . 13 1 1 A 127 127 ASP CA C 133 54.822 54.511 0.311 1 1 1459 . 13 1 1 A 127 127 ASP CB C 133 45.407 41.481 3.926 1 1 1460 . 13 1 1 A 127 127 ASP N N 133 123.737 120.202 3.535 1 1 1461 . 13 1 1 A 128 128 ILE H H 134 8.258 8.945 -0.687 1 1 1462 . 13 1 1 A 128 128 ILE HA H 134 4.392 4.345 0.047 1 1 1472 . 13 1 1 A 128 128 ILE C C 134 174.799 175.223 -0.424 1 1 1473 . 13 1 1 A 128 128 ILE CA C 134 61.596 60.712 0.884 1 1 1474 . 13 1 1 A 128 128 ILE CB C 134 37.549 36.616 0.933 1 1 1478 . 13 1 1 A 128 128 ILE N N 134 119.105 126.316 -7.211 1 1 1479 . 13 1 1 A 129 129 ALA H H 135 8.607 8.240 0.367 1 1 1480 . 13 1 1 A 129 129 ALA HA H 135 4.757 4.767 -0.010 1 1 1484 . 13 1 1 A 129 129 ALA C C 135 173.358 177.505 -4.147 1 1 1485 . 13 1 1 A 129 129 ALA CA C 135 50.608 52.407 -1.799 1 1 1486 . 13 1 1 A 129 129 ALA CB C 135 23.348 19.442 3.906 1 1 1487 . 13 1 1 A 129 129 ALA N N 135 129.336 130.996 -1.660 1 1 1488 . 13 1 1 A 130 130 GLY H H 136 7.514 8.592 -1.078 1 1 1489 . 13 1 1 A 130 130 GLY HA2 H 136 3.551 4.280 -0.729 1 1 1490 . 13 1 1 A 130 130 GLY HA3 H 136 4.422 4.379 0.043 1 1 1491 . 13 1 1 A 130 130 GLY C C 136 172.609 173.201 -0.592 1 1 1492 . 13 1 1 A 130 130 GLY CA C 136 44.315 45.395 -1.080 1 1 1493 . 13 1 1 A 130 130 GLY N N 136 101.232 108.051 -6.819 1 1 1494 . 13 1 1 A 131 131 GLU H H 137 8.225 8.936 -0.711 1 1 1495 . 13 1 1 A 131 131 GLU HA H 137 4.540 5.084 -0.544 1 1 1500 . 13 1 1 A 131 131 GLU C C 137 174.864 175.427 -0.563 1 1 1501 . 13 1 1 A 131 131 GLU CA C 137 53.120 55.712 -2.592 1 1 1502 . 13 1 1 A 131 131 GLU CB C 137 28.254 30.653 -2.399 1 1 1504 . 13 1 1 A 131 131 GLU N N 137 121.002 117.780 3.222 1 1 1505 . 13 1 1 A 132 132 HIS H H 138 8.054 8.588 -0.534 1 1 1506 . 13 1 1 A 132 132 HIS HA H 138 4.771 5.457 -0.686 1 1 1511 . 13 1 1 A 132 132 HIS C C 138 175.411 173.166 2.245 1 1 1512 . 13 1 1 A 132 132 HIS CA C 138 57.942 53.784 4.158 1 1 1513 . 13 1 1 A 132 132 HIS CB C 138 27.710 32.294 -4.584 1 1 1514 . 13 1 1 A 132 132 HIS N N 138 124.204 119.843 4.361 1 1 1515 . 13 1 1 A 133 133 THR H H 139 9.056 8.703 0.353 1 1 1516 . 13 1 1 A 133 133 THR HA H 139 3.864 4.693 -0.829 1 1 1521 . 13 1 1 A 133 133 THR C C 139 174.178 173.703 0.475 1 1 1522 . 13 1 1 A 133 133 THR CA C 139 63.225 60.658 2.567 1 1 1523 . 13 1 1 A 133 133 THR CB C 139 68.127 72.827 -4.700 1 1 1525 . 13 1 1 A 133 133 THR N N 139 125.345 115.298 10.047 1 1 1526 . 13 1 1 A 134 134 SER H H 140 8.834 8.763 0.071 1 1 1527 . 13 1 1 A 134 134 SER HA H 140 4.560 4.093 0.467 1 1 1530 . 13 1 1 A 134 134 SER C C 140 176.713 174.138 2.575 1 1 1531 . 13 1 1 A 134 134 SER CA C 140 57.961 58.859 -0.898 1 1 1532 . 13 1 1 A 134 134 SER CB C 140 63.030 61.686 1.344 1 1 1533 . 13 1 1 A 134 134 SER N N 140 121.791 116.611 5.180 1 1 1534 . 13 1 1 A 135 135 PHE H H 141 9.597 8.195 1.402 1 1 1535 . 13 1 1 A 135 135 PHE HA H 141 3.953 4.272 -0.319 1 1 1542 . 13 1 1 A 135 135 PHE C C 141 175.375 177.487 -2.112 1 1 1543 . 13 1 1 A 135 135 PHE CA C 141 61.339 60.602 0.737 1 1 1544 . 13 1 1 A 135 135 PHE CB C 141 39.394 39.370 0.024 1 1 1545 . 13 1 1 A 135 135 PHE N N 141 128.822 120.096 8.726 1 1 1546 . 13 1 1 A 136 136 ASP H H 142 8.017 8.225 -0.208 1 1 1547 . 13 1 1 A 136 136 ASP HA H 142 4.352 4.485 -0.133 1 1 1550 . 13 1 1 A 136 136 ASP C C 142 175.358 176.887 -1.529 1 1 1551 . 13 1 1 A 136 136 ASP CA C 142 55.223 55.195 0.028 1 1 1552 . 13 1 1 A 136 136 ASP CB C 142 40.968 40.397 0.571 1 1 1553 . 13 1 1 A 136 136 ASP N N 142 113.108 118.730 -5.622 1 1 1554 . 13 1 1 A 137 137 LYS H H 143 7.340 7.608 -0.268 1 1 1555 . 13 1 1 A 137 137 LYS HA H 143 4.439 4.379 0.060 1 1 1564 . 13 1 1 A 137 137 LYS C C 143 175.571 176.326 -0.755 1 1 1565 . 13 1 1 A 137 137 LYS CA C 143 54.096 55.934 -1.838 1 1 1566 . 13 1 1 A 137 137 LYS CB C 143 32.545 33.402 -0.857 1 1 1570 . 13 1 1 A 137 137 LYS N N 143 117.716 118.209 -0.493 1 1 1571 . 13 1 1 A 138 138 LEU H H 144 6.698 7.314 -0.616 1 1 1572 . 13 1 1 A 138 138 LEU HA H 144 3.903 4.435 -0.532 1 1 1582 . 13 1 1 A 138 138 LEU C C 144 174.123 175.160 -1.037 1 1 1583 . 13 1 1 A 138 138 LEU CA C 144 52.843 52.693 0.150 1 1 1584 . 13 1 1 A 138 138 LEU CB C 144 40.993 42.035 -1.042 1 1 1588 . 13 1 1 A 138 138 LEU N N 144 120.536 121.796 -1.260 1 1 1589 . 13 1 1 A 139 139 PRO HA H 145 4.040 4.631 -0.591 1 1 1596 . 13 1 1 A 139 139 PRO C C 145 172.700 176.200 -3.500 1 1 1597 . 13 1 1 A 139 139 PRO CA C 145 62.654 62.518 0.136 1 1 1598 . 13 1 1 A 139 139 PRO CB C 145 30.086 32.770 -2.684 1 1 1601 . 13 1 1 A 140 140 GLU H H 146 8.343 8.593 -0.250 1 1 1602 . 13 1 1 A 140 140 GLU HA H 146 3.970 4.647 -0.677 1 1 1607 . 13 1 1 A 140 140 GLU C C 146 176.009 175.325 0.684 1 1 1608 . 13 1 1 A 140 140 GLU CA C 146 56.119 55.614 0.505 1 1 1609 . 13 1 1 A 140 140 GLU CB C 146 30.086 29.255 0.831 1 1 1611 . 13 1 1 A 140 140 GLU N N 146 119.063 120.802 -1.739 1 1 1612 . 13 1 1 A 141 141 GLY H H 147 7.241 7.740 -0.499 1 1 1613 . 13 1 1 A 141 141 GLY HA2 H 147 3.918 4.269 -0.351 1 1 1614 . 13 1 1 A 141 141 GLY HA3 H 147 3.814 4.290 -0.476 1 1 1615 . 13 1 1 A 141 141 GLY C C 147 171.657 172.701 -1.044 1 1 1616 . 13 1 1 A 141 141 GLY CA C 147 43.929 45.692 -1.763 1 1 1617 . 13 1 1 A 141 141 GLY N N 147 104.270 109.491 -5.221 1 1 1618 . 13 1 1 A 142 142 GLY H H 148 8.241 8.494 -0.253 1 1 1619 . 13 1 1 A 142 142 GLY HA2 H 148 3.710 4.013 -0.303 1 1 1620 . 13 1 1 A 142 142 GLY HA3 H 148 4.350 4.087 0.263 1 1 1621 . 13 1 1 A 142 142 GLY C C 148 171.767 172.674 -0.907 1 1 1622 . 13 1 1 A 142 142 GLY CA C 148 43.649 43.946 -0.297 1 1 1623 . 13 1 1 A 142 142 GLY N N 148 106.996 108.562 -1.566 1 1 1624 . 13 1 1 A 143 143 ARG H H 149 8.214 8.168 0.046 1 1 1625 . 13 1 1 A 143 143 ARG HA H 149 5.376 5.223 0.153 1 1 1632 . 13 1 1 A 143 143 ARG C C 149 174.981 174.673 0.308 1 1 1633 . 13 1 1 A 143 143 ARG CA C 149 54.235 54.002 0.233 1 1 1634 . 13 1 1 A 143 143 ARG CB C 149 32.988 33.919 -0.931 1 1 1637 . 13 1 1 A 143 143 ARG N N 149 117.762 116.467 1.295 1 1 1638 . 13 1 1 A 144 144 ALA H H 150 9.030 8.834 0.196 1 1 1639 . 13 1 1 A 144 144 ALA HA H 150 4.730 4.831 -0.101 1 1 1643 . 13 1 1 A 144 144 ALA C C 150 175.012 175.802 -0.790 1 1 1644 . 13 1 1 A 144 144 ALA CA C 150 50.732 50.521 0.211 1 1 1645 . 13 1 1 A 144 144 ALA CB C 150 23.448 20.834 2.614 1 1 1646 . 13 1 1 A 144 144 ALA N N 150 126.630 122.951 3.679 1 1 1647 . 13 1 1 A 145 145 THR H H 151 8.560 8.556 0.004 1 1 1648 . 13 1 1 A 145 145 THR HA H 151 4.846 4.765 0.081 1 1 1653 . 13 1 1 A 145 145 THR C C 151 171.870 173.048 -1.178 1 1 1654 . 13 1 1 A 145 145 THR CA C 151 61.997 62.247 -0.250 1 1 1655 . 13 1 1 A 145 145 THR CB C 151 69.746 70.023 -0.277 1 1 1657 . 13 1 1 A 145 145 THR N N 151 117.942 118.061 -0.119 1 1 1658 . 13 1 1 A 146 146 TYR H H 152 10.008 8.995 1.013 1 1 1659 . 13 1 1 A 146 146 TYR HA H 152 4.580 5.105 -0.525 1 1 1666 . 13 1 1 A 146 146 TYR C C 152 174.627 174.407 0.220 1 1 1667 . 13 1 1 A 146 146 TYR CA C 152 55.835 56.418 -0.583 1 1 1668 . 13 1 1 A 146 146 TYR CB C 152 40.094 43.085 -2.991 1 1 1669 . 13 1 1 A 146 146 TYR N N 152 126.097 123.121 2.976 1 1 1670 . 13 1 1 A 147 147 ARG H H 153 8.860 8.978 -0.118 1 1 1671 . 13 1 1 A 147 147 ARG HA H 153 5.404 4.782 0.622 1 1 1678 . 13 1 1 A 147 147 ARG C C 153 177.446 175.106 2.340 1 1 1679 . 13 1 1 A 147 147 ARG CA C 153 54.024 55.032 -1.008 1 1 1680 . 13 1 1 A 147 147 ARG CB C 153 33.539 31.445 2.094 1 1 1683 . 13 1 1 A 147 147 ARG N N 153 121.042 123.934 -2.892 1 1 1684 . 13 1 1 A 148 148 GLY H H 154 8.916 8.608 0.308 1 1 1685 . 13 1 1 A 148 148 GLY HA2 H 154 4.816 3.899 0.917 1 1 1686 . 13 1 1 A 148 148 GLY HA3 H 154 4.422 4.060 0.362 1 1 1687 . 13 1 1 A 148 148 GLY C C 154 173.831 172.185 1.646 1 1 1688 . 13 1 1 A 148 148 GLY CA C 154 46.752 44.404 2.348 1 1 1689 . 13 1 1 A 148 148 GLY N N 154 114.154 113.846 0.308 1 1 1690 . 13 1 1 A 149 149 THR H H 155 9.063 9.419 -0.356 1 1 1691 . 13 1 1 A 149 149 THR HA H 155 4.711 5.066 -0.355 1 1 1696 . 13 1 1 A 149 149 THR C C 155 170.370 173.990 -3.620 1 1 1697 . 13 1 1 A 149 149 THR CA C 155 62.316 61.298 1.018 1 1 1698 . 13 1 1 A 149 149 THR CB C 155 72.596 70.872 1.724 1 1 1700 . 13 1 1 A 149 149 THR N N 155 126.410 118.921 7.489 1 1 1701 . 13 1 1 A 150 150 ALA H H 156 7.091 8.837 -1.746 1 1 1702 . 13 1 1 A 150 150 ALA HA H 156 5.289 5.138 0.151 1 1 1706 . 13 1 1 A 150 150 ALA C C 156 173.965 176.669 -2.704 1 1 1707 . 13 1 1 A 150 150 ALA CA C 156 48.843 51.429 -2.586 1 1 1708 . 13 1 1 A 150 150 ALA CB C 156 22.573 20.582 1.991 1 1 1709 . 13 1 1 A 150 150 ALA N N 156 127.540 130.452 -2.912 1 1 1710 . 13 1 1 A 151 151 PHE H H 157 8.536 7.840 0.696 1 1 1711 . 13 1 1 A 151 151 PHE HA H 157 5.442 5.473 -0.031 1 1 1718 . 13 1 1 A 151 151 PHE C C 157 171.891 173.511 -1.620 1 1 1719 . 13 1 1 A 151 151 PHE CA C 157 53.282 55.533 -2.251 1 1 1720 . 13 1 1 A 151 151 PHE CB C 157 41.020 41.755 -0.735 1 1 1721 . 13 1 1 A 151 151 PHE N N 157 117.013 114.878 2.135 1 1 1722 . 13 1 1 A 152 152 GLY H H 158 8.548 8.280 0.268 1 1 1723 . 13 1 1 A 152 152 GLY HA2 H 158 4.003 3.458 0.545 1 1 1724 . 13 1 1 A 152 152 GLY HA3 H 158 3.124 3.986 -0.862 1 1 1725 . 13 1 1 A 152 152 GLY C C 158 173.148 171.851 1.297 1 1 1726 . 13 1 1 A 152 152 GLY CA C 158 42.630 45.478 -2.848 1 1 1727 . 13 1 1 A 152 152 GLY N N 158 108.356 106.190 2.166 1 1 1728 . 13 1 1 A 153 153 SER H H 159 7.610 7.813 -0.203 1 1 1729 . 13 1 1 A 153 153 SER HA H 159 3.421 4.338 -0.917 1 1 1732 . 13 1 1 A 153 153 SER C C 159 176.057 173.420 2.637 1 1 1733 . 13 1 1 A 153 153 SER CA C 159 58.787 57.016 1.771 1 1 1734 . 13 1 1 A 153 153 SER CB C 159 61.886 61.432 0.454 1 1 1735 . 13 1 1 A 153 153 SER N N 159 115.173 114.834 0.339 1 1 1736 . 13 1 1 A 154 154 ASP H H 160 9.894 8.275 1.619 1 1 1737 . 13 1 1 A 154 154 ASP HA H 160 4.168 4.899 -0.731 1 1 1740 . 13 1 1 A 154 154 ASP C C 160 175.191 176.273 -1.082 1 1 1741 . 13 1 1 A 154 154 ASP CA C 160 55.398 55.668 -0.270 1 1 1742 . 13 1 1 A 154 154 ASP CB C 160 39.212 43.566 -4.354 1 1 1743 . 13 1 1 A 154 154 ASP N N 160 124.828 127.302 -2.474 1 1 1744 . 13 1 1 A 155 155 ASP H H 161 7.520 7.994 -0.474 1 1 1745 . 13 1 1 A 155 155 ASP HA H 161 4.568 4.848 -0.280 1 1 1748 . 13 1 1 A 155 155 ASP C C 161 172.658 176.231 -3.573 1 1 1749 . 13 1 1 A 155 155 ASP CA C 161 54.342 52.975 1.367 1 1 1750 . 13 1 1 A 155 155 ASP CB C 161 40.619 41.305 -0.686 1 1 1751 . 13 1 1 A 155 155 ASP N N 161 116.749 116.708 0.041 1 1 1752 . 13 1 1 A 156 156 ALA H H 162 8.544 8.001 0.543 1 1 1753 . 13 1 1 A 156 156 ALA HA H 162 4.916 4.046 0.870 1 1 1757 . 13 1 1 A 156 156 ALA C C 162 177.708 177.160 0.548 1 1 1758 . 13 1 1 A 156 156 ALA CA C 162 49.878 53.492 -3.614 1 1 1759 . 13 1 1 A 156 156 ALA CB C 162 17.473 17.638 -0.165 1 1 1760 . 13 1 1 A 156 156 ALA N N 162 128.246 119.703 8.543 1 1 1761 . 13 1 1 A 157 157 GLY H H 163 8.406 8.712 -0.306 1 1 1762 . 13 1 1 A 157 157 GLY HA2 H 163 4.286 3.839 0.447 1 1 1763 . 13 1 1 A 157 157 GLY HA3 H 163 3.894 3.849 0.045 1 1 1764 . 13 1 1 A 157 157 GLY C C 163 174.344 173.968 0.376 1 1 1765 . 13 1 1 A 157 157 GLY CA C 163 45.049 45.254 -0.205 1 1 1766 . 13 1 1 A 157 157 GLY N N 163 106.545 103.903 2.642 1 1 1767 . 13 1 1 A 158 158 GLY H H 164 7.128 8.455 -1.327 1 1 1768 . 13 1 1 A 158 158 GLY HA2 H 164 4.118 4.075 0.043 1 1 1769 . 13 1 1 A 158 158 GLY HA3 H 164 3.641 4.116 -0.475 1 1 1770 . 13 1 1 A 158 158 GLY C C 164 173.903 172.692 1.211 1 1 1771 . 13 1 1 A 158 158 GLY CA C 164 45.225 44.133 1.092 1 1 1772 . 13 1 1 A 158 158 GLY N N 164 106.404 107.288 -0.884 1 1 1773 . 13 1 1 A 159 159 LYS H H 165 9.647 8.379 1.268 1 1 1774 . 13 1 1 A 159 159 LYS HA H 165 5.052 5.030 0.022 1 1 1781 . 13 1 1 A 159 159 LYS C C 165 174.390 175.694 -1.304 1 1 1782 . 13 1 1 A 159 159 LYS CA C 165 53.501 54.582 -1.081 1 1 1783 . 13 1 1 A 159 159 LYS CB C 165 34.622 36.241 -1.619 1 1 1786 . 13 1 1 A 159 159 LYS N N 165 123.930 118.490 5.440 1 1 1787 . 13 1 1 A 160 160 LEU H H 166 7.706 8.191 -0.485 1 1 1788 . 13 1 1 A 160 160 LEU HA H 166 4.873 5.045 -0.172 1 1 1798 . 13 1 1 A 160 160 LEU C C 166 174.825 174.932 -0.107 1 1 1799 . 13 1 1 A 160 160 LEU CA C 166 52.677 53.417 -0.740 1 1 1800 . 13 1 1 A 160 160 LEU CB C 166 44.629 45.831 -1.202 1 1 1804 . 13 1 1 A 160 160 LEU N N 166 126.271 119.804 6.467 1 1 1805 . 13 1 1 A 161 161 THR H H 167 8.374 8.596 -0.222 1 1 1806 . 13 1 1 A 161 161 THR HA H 167 4.949 5.140 -0.191 1 1 1811 . 13 1 1 A 161 161 THR C C 167 172.102 173.783 -1.681 1 1 1812 . 13 1 1 A 161 161 THR CA C 167 61.761 61.422 0.339 1 1 1813 . 13 1 1 A 161 161 THR CB C 167 70.169 71.096 -0.927 1 1 1815 . 13 1 1 A 161 161 THR N N 167 122.977 114.251 8.726 1 1 1816 . 13 1 1 A 162 162 TYR H H 168 9.174 9.036 0.138 1 1 1817 . 13 1 1 A 162 162 TYR HA H 168 4.766 5.415 -0.649 1 1 1824 . 13 1 1 A 162 162 TYR C C 168 172.249 175.335 -3.086 1 1 1825 . 13 1 1 A 162 162 TYR CA C 168 58.162 57.239 0.923 1 1 1826 . 13 1 1 A 162 162 TYR CB C 168 43.746 41.496 2.250 1 1 1827 . 13 1 1 A 162 162 TYR N N 168 128.112 126.208 1.904 1 1 1828 . 13 1 1 A 163 163 THR H H 169 8.711 8.651 0.060 1 1 1829 . 13 1 1 A 163 163 THR HA H 169 5.402 5.307 0.095 1 1 1834 . 13 1 1 A 163 163 THR C C 169 172.520 172.109 0.411 1 1 1835 . 13 1 1 A 163 163 THR CA C 169 60.804 60.779 0.025 1 1 1836 . 13 1 1 A 163 163 THR CB C 169 70.818 71.737 -0.919 1 1 1838 . 13 1 1 A 163 163 THR N N 169 124.549 115.132 9.417 1 1 1839 . 13 1 1 A 164 164 ILE H H 170 8.927 9.267 -0.340 1 1 1840 . 13 1 1 A 164 164 ILE HA H 170 4.313 5.014 -0.701 1 1 1850 . 13 1 1 A 164 164 ILE C C 170 173.105 174.048 -0.943 1 1 1851 . 13 1 1 A 164 164 ILE CA C 170 60.595 59.989 0.606 1 1 1852 . 13 1 1 A 164 164 ILE CB C 170 41.274 41.321 -0.047 1 1 1856 . 13 1 1 A 164 164 ILE N N 170 123.685 128.093 -4.408 1 1 1857 . 13 1 1 A 165 165 ASP H H 171 8.372 8.442 -0.070 1 1 1858 . 13 1 1 A 165 165 ASP HA H 171 4.750 4.780 -0.030 1 1 1861 . 13 1 1 A 165 165 ASP C C 171 177.213 176.370 0.843 1 1 1862 . 13 1 1 A 165 165 ASP CA C 171 51.669 54.849 -3.180 1 1 1863 . 13 1 1 A 165 165 ASP CB C 171 41.730 40.596 1.134 1 1 1864 . 13 1 1 A 165 165 ASP N N 171 125.168 129.935 -4.767 1 1 1865 . 13 1 1 A 166 166 PHE H H 172 8.968 8.482 0.486 1 1 1866 . 13 1 1 A 166 166 PHE HA H 172 3.879 4.242 -0.363 1 1 1874 . 13 1 1 A 166 166 PHE C C 172 176.940 177.782 -0.842 1 1 1875 . 13 1 1 A 166 166 PHE CA C 172 61.543 60.865 0.678 1 1 1876 . 13 1 1 A 166 166 PHE CB C 172 37.424 39.377 -1.953 1 1 1877 . 13 1 1 A 166 166 PHE N N 172 123.597 121.022 2.575 1 1 1878 . 13 1 1 A 167 167 ALA H H 173 8.266 7.812 0.454 1 1 1879 . 13 1 1 A 167 167 ALA HA H 173 4.322 4.355 -0.033 1 1 1883 . 13 1 1 A 167 167 ALA C C 173 178.888 177.975 0.913 1 1 1884 . 13 1 1 A 167 167 ALA CA C 173 54.458 54.209 0.249 1 1 1885 . 13 1 1 A 167 167 ALA CB C 173 17.591 18.483 -0.892 1 1 1886 . 13 1 1 A 167 167 ALA N N 173 122.113 121.506 0.607 1 1 1887 . 13 1 1 A 168 168 ALA H H 174 7.405 7.814 -0.409 1 1 1888 . 13 1 1 A 168 168 ALA HA H 174 4.096 4.447 -0.351 1 1 1892 . 13 1 1 A 168 168 ALA C C 174 176.605 177.350 -0.745 1 1 1893 . 13 1 1 A 168 168 ALA CA C 174 51.225 51.477 -0.252 1 1 1894 . 13 1 1 A 168 168 ALA CB C 174 18.307 20.686 -2.379 1 1 1895 . 13 1 1 A 168 168 ALA N N 174 118.760 119.847 -1.087 1 1 1896 . 13 1 1 A 169 169 LYS H H 175 7.906 7.831 0.075 1 1 1897 . 13 1 1 A 169 169 LYS HA H 175 3.391 3.865 -0.474 1 1 1904 . 13 1 1 A 169 169 LYS C C 175 174.608 174.998 -0.390 1 1 1905 . 13 1 1 A 169 169 LYS CA C 175 57.049 57.604 -0.555 1 1 1906 . 13 1 1 A 169 169 LYS CB C 175 30.051 30.867 -0.816 1 1 1909 . 13 1 1 A 169 169 LYS N N 175 114.394 116.820 -2.426 1 1 1910 . 13 1 1 A 170 170 GLN H H 176 7.629 7.214 0.415 1 1 1911 . 13 1 1 A 170 170 GLN HA H 176 5.414 4.906 0.508 1 1 1918 . 13 1 1 A 170 170 GLN C C 176 174.325 174.446 -0.121 1 1 1919 . 13 1 1 A 170 170 GLN CA C 176 54.393 54.451 -0.058 1 1 1920 . 13 1 1 A 170 170 GLN CB C 176 34.771 31.034 3.737 1 1 1922 . 13 1 1 A 170 170 GLN N N 176 116.433 118.560 -2.127 1 1 1924 . 13 1 1 A 171 171 GLY H H 177 8.854 9.274 -0.420 1 1 1925 . 13 1 1 A 171 171 GLY HA2 H 177 5.205 4.142 1.063 1 1 1926 . 13 1 1 A 171 171 GLY HA3 H 177 3.526 4.199 -0.673 1 1 1927 . 13 1 1 A 171 171 GLY C C 177 170.842 172.037 -1.195 1 1 1928 . 13 1 1 A 171 171 GLY CA C 177 44.621 44.754 -0.133 1 1 1929 . 13 1 1 A 171 171 GLY N N 177 110.189 113.048 -2.859 1 1 1930 . 13 1 1 A 172 172 ASN H H 178 7.637 8.562 -0.925 1 1 1931 . 13 1 1 A 172 172 ASN HA H 178 4.224 5.568 -1.344 1 1 1936 . 13 1 1 A 172 172 ASN C C 178 171.546 174.561 -3.015 1 1 1937 . 13 1 1 A 172 172 ASN CA C 178 53.729 50.921 2.808 1 1 1938 . 13 1 1 A 172 172 ASN CB C 178 41.543 42.137 -0.594 1 1 1939 . 13 1 1 A 172 172 ASN N N 178 112.667 122.176 -9.509 1 1 1941 . 13 1 1 A 173 173 GLY H H 179 9.103 8.389 0.714 1 1 1942 . 13 1 1 A 173 173 GLY HA2 H 179 4.491 4.498 -0.007 1 1 1943 . 13 1 1 A 173 173 GLY HA3 H 179 4.084 4.582 -0.498 1 1 1944 . 13 1 1 A 173 173 GLY C C 179 172.400 172.595 -0.195 1 1 1945 . 13 1 1 A 173 173 GLY CA C 179 47.199 45.238 1.961 1 1 1946 . 13 1 1 A 173 173 GLY N N 179 106.686 109.795 -3.109 1 1 1947 . 13 1 1 A 174 174 LYS H H 180 9.179 9.032 0.147 1 1 1948 . 13 1 1 A 174 174 LYS HA H 180 4.821 5.144 -0.323 1 1 1957 . 13 1 1 A 174 174 LYS C C 180 172.518 174.363 -1.845 1 1 1958 . 13 1 1 A 174 174 LYS CA C 180 56.617 55.137 1.480 1 1 1959 . 13 1 1 A 174 174 LYS CB C 180 35.373 36.166 -0.793 1 1 1963 . 13 1 1 A 174 174 LYS N N 180 121.816 116.367 5.449 1 1 1964 . 13 1 1 A 175 175 ILE H H 181 8.351 8.592 -0.241 1 1 1965 . 13 1 1 A 175 175 ILE HA H 181 4.581 4.792 -0.211 1 1 1973 . 13 1 1 A 175 175 ILE C C 181 173.997 175.609 -1.612 1 1 1974 . 13 1 1 A 175 175 ILE CA C 181 60.490 59.690 0.800 1 1 1975 . 13 1 1 A 175 175 ILE CB C 181 39.573 40.041 -0.468 1 1 1978 . 13 1 1 A 175 175 ILE N N 181 123.400 124.164 -0.764 1 1 1979 . 13 1 1 A 176 176 GLU H H 182 8.492 8.877 -0.385 1 1 1980 . 13 1 1 A 176 176 GLU HA H 182 4.471 4.496 -0.025 1 1 1985 . 13 1 1 A 176 176 GLU C C 182 175.392 176.094 -0.702 1 1 1986 . 13 1 1 A 176 176 GLU CA C 182 53.410 58.037 -4.627 1 1 1987 . 13 1 1 A 176 176 GLU CB C 182 35.479 32.009 3.470 1 1 1989 . 13 1 1 A 176 176 GLU N N 182 122.287 125.745 -3.458 1 1 1990 . 13 1 1 A 177 177 HIS H H 183 8.431 7.989 0.442 1 1 1991 . 13 1 1 A 177 177 HIS HA H 183 3.975 4.649 -0.674 1 1 1996 . 13 1 1 A 177 177 HIS C C 183 176.008 173.499 2.509 1 1 1997 . 13 1 1 A 177 177 HIS CA C 183 57.533 54.570 2.963 1 1 1998 . 13 1 1 A 177 177 HIS CB C 183 27.362 28.788 -1.426 1 1 1999 . 13 1 1 A 177 177 HIS N N 183 109.605 119.560 -9.955 1 1 2000 . 13 1 1 A 178 178 LEU H H 184 9.603 7.913 1.690 1 1 2001 . 13 1 1 A 178 178 LEU HA H 184 4.276 4.656 -0.380 1 1 2011 . 13 1 1 A 178 178 LEU C C 184 178.805 177.991 0.814 1 1 2012 . 13 1 1 A 178 178 LEU CA C 184 56.034 53.126 2.908 1 1 2013 . 13 1 1 A 178 178 LEU CB C 184 39.882 43.760 -3.878 1 1 2017 . 13 1 1 A 178 178 LEU N N 184 124.374 126.938 -2.564 1 1 2018 . 13 1 1 A 179 179 LYS H H 185 10.002 8.870 1.132 1 1 2019 . 13 1 1 A 179 179 LYS HA H 185 3.682 4.062 -0.380 1 1 2028 . 13 1 1 A 179 179 LYS C C 185 177.660 176.491 1.169 1 1 2029 . 13 1 1 A 179 179 LYS CA C 185 57.721 59.084 -1.363 1 1 2030 . 13 1 1 A 179 179 LYS CB C 185 31.949 31.989 -0.040 1 1 2034 . 13 1 1 A 179 179 LYS N N 185 122.880 120.566 2.314 1 1 2035 . 13 1 1 A 180 180 SER H H 186 7.262 7.888 -0.626 1 1 2036 . 13 1 1 A 180 180 SER HA H 186 4.672 4.963 -0.291 1 1 2039 . 13 1 1 A 180 180 SER C C 186 173.086 174.119 -1.033 1 1 2040 . 13 1 1 A 180 180 SER CA C 186 54.576 55.711 -1.135 1 1 2041 . 13 1 1 A 180 180 SER CB C 186 62.715 65.169 -2.454 1 1 2042 . 13 1 1 A 180 180 SER N N 186 115.187 114.255 0.932 1 1 2043 . 13 1 1 A 181 181 PRO HA H 187 3.956 4.471 -0.515 1 1 2050 . 13 1 1 A 181 181 PRO CA C 187 65.359 64.341 1.018 1 1 2051 . 13 1 1 A 181 181 PRO CB C 187 32.061 31.664 0.397 1 1 2054 . 13 1 1 A 182 182 GLU H H 188 8.076 8.386 -0.310 1 1 2055 . 13 1 1 A 182 182 GLU HA H 188 3.011 4.230 -1.219 1 1 2060 . 13 1 1 A 182 182 GLU C C 188 173.944 178.008 -4.064 1 1 2061 . 13 1 1 A 182 182 GLU CA C 188 56.597 58.042 -1.445 1 1 2062 . 13 1 1 A 182 182 GLU CB C 188 29.581 29.588 -0.007 1 1 2064 . 13 1 1 A 182 182 GLU N N 188 113.034 117.894 -4.860 1 1 2065 . 13 1 1 A 183 183 LEU H H 189 7.126 7.316 -0.190 1 1 2066 . 13 1 1 A 183 183 LEU HA H 189 3.970 4.253 -0.283 1 1 2076 . 13 1 1 A 183 183 LEU C C 189 175.597 176.660 -1.063 1 1 2077 . 13 1 1 A 183 183 LEU CA C 189 53.849 55.072 -1.223 1 1 2078 . 13 1 1 A 183 183 LEU CB C 189 41.152 42.340 -1.188 1 1 2082 . 13 1 1 A 183 183 LEU N N 189 112.896 118.680 -5.784 1 1 2083 . 13 1 1 A 184 184 ASN H H 190 6.952 7.541 -0.589 1 1 2084 . 13 1 1 A 184 184 ASN HA H 190 4.596 4.642 -0.046 1 1 2089 . 13 1 1 A 184 184 ASN C C 190 175.694 175.634 0.060 1 1 2090 . 13 1 1 A 184 184 ASN CA C 190 53.200 53.962 -0.762 1 1 2091 . 13 1 1 A 184 184 ASN CB C 190 36.466 38.668 -2.202 1 1 2092 . 13 1 1 A 184 184 ASN N N 190 117.865 117.426 0.439 1 1 2094 . 13 1 1 A 185 185 VAL H H 191 7.178 8.588 -1.410 1 1 2095 . 13 1 1 A 185 185 VAL HA H 191 4.480 4.690 -0.210 1 1 2103 . 13 1 1 A 185 185 VAL C C 191 174.874 174.597 0.277 1 1 2104 . 13 1 1 A 185 185 VAL CA C 191 59.753 60.312 -0.559 1 1 2105 . 13 1 1 A 185 185 VAL CB C 191 33.035 33.507 -0.472 1 1 2108 . 13 1 1 A 185 185 VAL N N 191 113.276 120.499 -7.223 1 1 2109 . 13 1 1 A 186 186 ASP H H 192 8.827 8.562 0.265 1 1 2110 . 13 1 1 A 186 186 ASP HA H 192 4.779 4.977 -0.198 1 1 2113 . 13 1 1 A 186 186 ASP C C 192 174.919 175.283 -0.364 1 1 2114 . 13 1 1 A 186 186 ASP CA C 192 54.058 53.724 0.334 1 1 2115 . 13 1 1 A 186 186 ASP CB C 192 41.635 42.047 -0.412 1 1 2116 . 13 1 1 A 186 186 ASP N N 192 118.111 123.114 -5.003 1 1 2117 . 13 1 1 A 187 187 LEU H H 193 8.375 8.803 -0.428 1 1 2118 . 13 1 1 A 187 187 LEU HA H 193 4.146 4.918 -0.772 1 1 2127 . 13 1 1 A 187 187 LEU CA C 193 52.331 53.111 -0.780 1 1 2128 . 13 1 1 A 187 187 LEU CB C 193 38.187 44.261 -6.074 1 1 2131 . 13 1 1 A 187 187 LEU N N 193 123.130 123.064 0.066 1 1 2132 . 13 1 1 A 188 188 ALA H H 194 8.225 8.513 -0.288 1 1 2133 . 13 1 1 A 188 188 ALA HA H 194 4.098 4.416 -0.318 1 1 2137 . 13 1 1 A 188 188 ALA C C 194 176.239 177.187 -0.948 1 1 2138 . 13 1 1 A 188 188 ALA CA C 194 52.498 52.093 0.405 1 1 2139 . 13 1 1 A 188 188 ALA CB C 194 20.030 19.072 0.958 1 1 2140 . 13 1 1 A 188 188 ALA N N 194 126.289 127.648 -1.359 1 1 2141 . 13 1 1 A 189 189 ALA H H 195 8.275 7.893 0.382 1 1 2142 . 13 1 1 A 189 189 ALA HA H 195 4.862 4.285 0.577 1 1 2146 . 13 1 1 A 189 189 ALA C C 195 178.131 177.957 0.174 1 1 2147 . 13 1 1 A 189 189 ALA CA C 195 51.822 53.240 -1.418 1 1 2148 . 13 1 1 A 189 189 ALA CB C 195 17.367 19.071 -1.704 1 1 2149 . 13 1 1 A 189 189 ALA N N 195 122.010 125.859 -3.849 1 1 2150 . 13 1 1 A 190 190 ALA H H 196 8.823 8.745 0.078 1 1 2151 . 13 1 1 A 190 190 ALA HA H 196 4.634 5.121 -0.487 1 1 2155 . 13 1 1 A 190 190 ALA C C 196 175.141 175.759 -0.618 1 1 2156 . 13 1 1 A 190 190 ALA CA C 196 50.420 50.180 0.240 1 1 2157 . 13 1 1 A 190 190 ALA CB C 196 23.461 23.244 0.217 1 1 2158 . 13 1 1 A 190 190 ALA N N 196 126.018 123.928 2.090 1 1 2159 . 13 1 1 A 191 191 ASP H H 197 8.365 8.578 -0.213 1 1 2160 . 13 1 1 A 191 191 ASP HA H 197 5.160 4.943 0.217 1 1 2163 . 13 1 1 A 191 191 ASP C C 197 176.028 176.148 -0.120 1 1 2164 . 13 1 1 A 191 191 ASP CA C 197 54.034 52.440 1.594 1 1 2165 . 13 1 1 A 191 191 ASP CB C 197 41.691 41.709 -0.018 1 1 2166 . 13 1 1 A 191 191 ASP N N 197 118.646 119.607 -0.961 1 1 2167 . 13 1 1 A 192 192 ILE H H 198 7.915 8.509 -0.594 1 1 2168 . 13 1 1 A 192 192 ILE HA H 198 4.315 4.114 0.201 1 1 2178 . 13 1 1 A 192 192 ILE C C 198 174.684 176.227 -1.543 1 1 2179 . 13 1 1 A 192 192 ILE CA C 198 60.951 61.821 -0.870 1 1 2180 . 13 1 1 A 192 192 ILE CB C 198 41.989 38.047 3.942 1 1 2184 . 13 1 1 A 192 192 ILE N N 198 119.664 120.718 -1.054 1 1 2185 . 13 1 1 A 193 193 LYS H H 199 9.175 8.135 1.040 1 1 2186 . 13 1 1 A 193 193 LYS HA H 199 4.530 4.448 0.082 1 1 2195 . 13 1 1 A 193 193 LYS C C 199 172.639 176.395 -3.756 1 1 2196 . 13 1 1 A 193 193 LYS CA C 199 53.361 54.201 -0.840 1 1 2197 . 13 1 1 A 193 193 LYS CB C 199 34.758 31.801 2.957 1 1 2201 . 13 1 1 A 193 193 LYS N N 199 127.122 126.361 0.761 1 1 2202 . 13 1 1 A 195 195 ASP H H 201 8.390 8.451 -0.061 1 1 2203 . 13 1 1 A 195 195 ASP HA H 201 4.550 4.817 -0.267 1 1 2206 . 13 1 1 A 195 195 ASP C C 201 179.300 176.804 2.496 1 1 2207 . 13 1 1 A 195 195 ASP CA C 201 51.354 53.720 -2.366 1 1 2208 . 13 1 1 A 195 195 ASP CB C 201 40.324 40.840 -0.516 1 1 2209 . 13 1 1 A 195 195 ASP N N 201 123.239 120.730 2.509 1 1 2210 . 13 1 1 A 196 196 GLY HA2 H 202 3.718 3.808 -0.090 1 1 2211 . 13 1 1 A 196 196 GLY HA3 H 202 3.437 3.846 -0.409 1 1 2212 . 13 1 1 A 196 196 GLY CA C 202 46.527 46.380 0.147 1 1 2213 . 13 1 1 A 197 197 LYS H H 203 7.740 8.139 -0.399 1 1 2214 . 13 1 1 A 197 197 LYS HA H 203 4.118 4.085 0.033 1 1 2221 . 13 1 1 A 197 197 LYS C C 203 174.941 176.066 -1.125 1 1 2222 . 13 1 1 A 197 197 LYS CA C 203 55.054 58.172 -3.118 1 1 2223 . 13 1 1 A 197 197 LYS CB C 203 31.192 31.752 -0.560 1 1 2226 . 13 1 1 A 197 197 LYS N N 203 120.305 119.204 1.101 1 1 2227 . 13 1 1 A 198 198 ARG H H 204 8.059 7.833 0.226 1 1 2228 . 13 1 1 A 198 198 ARG HA H 204 3.441 4.437 -0.996 1 1 2235 . 13 1 1 A 198 198 ARG C C 204 175.152 175.466 -0.314 1 1 2236 . 13 1 1 A 198 198 ARG CA C 204 56.911 56.809 0.102 1 1 2237 . 13 1 1 A 198 198 ARG CB C 204 26.584 33.330 -6.746 1 1 2240 . 13 1 1 A 198 198 ARG N N 204 111.796 117.493 -5.697 1 1 2241 . 13 1 1 A 199 199 HIS H H 205 8.531 7.725 0.806 1 1 2242 . 13 1 1 A 199 199 HIS HA H 205 4.812 4.988 -0.176 1 1 2247 . 13 1 1 A 199 199 HIS C C 205 174.866 172.383 2.483 1 1 2248 . 13 1 1 A 199 199 HIS CA C 205 53.700 54.523 -0.823 1 1 2249 . 13 1 1 A 199 199 HIS CB C 205 27.838 31.528 -3.690 1 1 2250 . 13 1 1 A 199 199 HIS N N 205 120.255 114.155 6.100 1 1 2251 . 13 1 1 A 200 200 ALA H H 206 8.492 8.547 -0.055 1 1 2252 . 13 1 1 A 200 200 ALA HA H 206 4.615 4.929 -0.314 1 1 2256 . 13 1 1 A 200 200 ALA C C 206 175.840 175.917 -0.077 1 1 2257 . 13 1 1 A 200 200 ALA CA C 206 52.247 50.450 1.797 1 1 2258 . 13 1 1 A 200 200 ALA CB C 206 19.838 20.893 -1.055 1 1 2259 . 13 1 1 A 200 200 ALA N N 206 123.237 122.130 1.107 1 1 2260 . 13 1 1 A 201 201 VAL H H 207 9.174 8.361 0.813 1 1 2261 . 13 1 1 A 201 201 VAL HA H 207 4.976 4.743 0.233 1 1 2269 . 13 1 1 A 201 201 VAL C C 207 173.390 173.749 -0.359 1 1 2270 . 13 1 1 A 201 201 VAL CA C 207 60.775 59.276 1.499 1 1 2271 . 13 1 1 A 201 201 VAL CB C 207 35.488 36.234 -0.746 1 1 2274 . 13 1 1 A 201 201 VAL N N 207 123.250 109.948 13.302 1 1 2275 . 13 1 1 A 202 202 ILE H H 208 8.887 8.640 0.247 1 1 2276 . 13 1 1 A 202 202 ILE HA H 208 4.312 4.750 -0.438 1 1 2286 . 13 1 1 A 202 202 ILE C C 208 174.670 174.588 0.082 1 1 2287 . 13 1 1 A 202 202 ILE CA C 208 60.815 59.870 0.945 1 1 2288 . 13 1 1 A 202 202 ILE CB C 208 41.576 39.382 2.194 1 1 2292 . 13 1 1 A 202 202 ILE N N 208 122.699 123.129 -0.430 1 1 2293 . 13 1 1 A 203 203 SER H H 209 8.416 8.791 -0.375 1 1 2294 . 13 1 1 A 203 203 SER HA H 209 4.913 5.052 -0.139 1 1 2297 . 13 1 1 A 203 203 SER C C 209 172.984 173.080 -0.096 1 1 2298 . 13 1 1 A 203 203 SER CA C 209 55.676 56.462 -0.786 1 1 2299 . 13 1 1 A 203 203 SER CB C 209 64.355 65.175 -0.820 1 1 2300 . 13 1 1 A 203 203 SER N N 209 122.067 122.552 -0.485 1 1 2301 . 13 1 1 A 204 204 GLY H H 210 7.292 8.539 -1.247 1 1 2302 . 13 1 1 A 204 204 GLY HA2 H 210 4.432 4.336 0.096 1 1 2303 . 13 1 1 A 204 204 GLY HA3 H 210 3.352 4.438 -1.086 1 1 2304 . 13 1 1 A 204 204 GLY C C 210 172.482 172.655 -0.173 1 1 2305 . 13 1 1 A 204 204 GLY CA C 210 45.167 45.287 -0.120 1 1 2306 . 13 1 1 A 204 204 GLY N N 210 110.488 113.673 -3.185 1 1 2307 . 13 1 1 A 205 205 SER H H 211 8.652 8.856 -0.204 1 1 2308 . 13 1 1 A 205 205 SER HA H 211 5.027 5.485 -0.458 1 1 2311 . 13 1 1 A 205 205 SER C C 211 172.852 173.260 -0.408 1 1 2312 . 13 1 1 A 205 205 SER CA C 211 58.806 57.663 1.143 1 1 2313 . 13 1 1 A 205 205 SER CB C 211 64.384 66.226 -1.842 1 1 2314 . 13 1 1 A 205 205 SER N N 211 116.497 117.229 -0.732 1 1 2315 . 13 1 1 A 206 206 VAL H H 212 7.400 8.481 -1.081 1 1 2316 . 13 1 1 A 206 206 VAL HA H 212 5.032 4.523 0.509 1 1 2324 . 13 1 1 A 206 206 VAL C C 212 174.500 175.188 -0.688 1 1 2325 . 13 1 1 A 206 206 VAL CA C 212 58.764 61.112 -2.348 1 1 2326 . 13 1 1 A 206 206 VAL CB C 212 30.512 35.342 -4.830 1 1 2329 . 13 1 1 A 206 206 VAL N N 212 117.101 123.074 -5.973 1 1 2330 . 13 1 1 A 207 207 LEU H H 213 8.961 8.720 0.241 1 1 2331 . 13 1 1 A 207 207 LEU HA H 213 5.312 4.562 0.750 1 1 2341 . 13 1 1 A 207 207 LEU C C 213 175.520 175.695 -0.175 1 1 2342 . 13 1 1 A 207 207 LEU CA C 213 52.630 54.448 -1.818 1 1 2343 . 13 1 1 A 207 207 LEU CB C 213 45.567 42.353 3.214 1 1 2347 . 13 1 1 A 207 207 LEU N N 213 124.185 127.572 -3.387 1 1 2348 . 13 1 1 A 208 208 TYR H H 214 8.836 8.851 -0.015 1 1 2349 . 13 1 1 A 208 208 TYR HA H 214 4.766 4.884 -0.118 1 1 2356 . 13 1 1 A 208 208 TYR C C 214 175.964 174.737 1.227 1 1 2357 . 13 1 1 A 208 208 TYR CA C 214 56.943 57.651 -0.708 1 1 2358 . 13 1 1 A 208 208 TYR CB C 214 41.736 41.873 -0.137 1 1 2359 . 13 1 1 A 208 208 TYR N N 214 120.202 119.956 0.246 1 1 2360 . 13 1 1 A 209 209 ASN H H 215 9.292 9.341 -0.049 1 1 2361 . 13 1 1 A 209 209 ASN HA H 215 4.001 4.291 -0.290 1 1 2366 . 13 1 1 A 209 209 ASN C C 215 174.336 174.306 0.030 1 1 2367 . 13 1 1 A 209 209 ASN CA C 215 53.923 54.100 -0.177 1 1 2368 . 13 1 1 A 209 209 ASN CB C 215 36.468 37.102 -0.634 1 1 2369 . 13 1 1 A 209 209 ASN N N 215 129.805 125.993 3.812 1 1 2371 . 13 1 1 A 210 210 GLN H H 216 8.614 8.445 0.169 1 1 2372 . 13 1 1 A 210 210 GLN HA H 216 3.453 3.812 -0.359 1 1 2379 . 13 1 1 A 210 210 GLN C C 216 173.521 174.648 -1.127 1 1 2380 . 13 1 1 A 210 210 GLN CA C 216 57.881 57.202 0.679 1 1 2381 . 13 1 1 A 210 210 GLN CB C 216 26.089 26.387 -0.298 1 1 2383 . 13 1 1 A 210 210 GLN N N 216 106.396 110.222 -3.826 1 1 2385 . 13 1 1 A 211 211 ALA H H 217 7.657 7.484 0.173 1 1 2386 . 13 1 1 A 211 211 ALA HA H 217 4.608 4.482 0.126 1 1 2390 . 13 1 1 A 211 211 ALA C C 217 176.432 176.724 -0.292 1 1 2391 . 13 1 1 A 211 211 ALA CA C 217 50.786 50.956 -0.170 1 1 2392 . 13 1 1 A 211 211 ALA CB C 217 20.499 20.843 -0.344 1 1 2393 . 13 1 1 A 211 211 ALA N N 217 123.338 118.469 4.869 1 1 2394 . 13 1 1 A 212 212 GLU H H 218 8.712 8.846 -0.134 1 1 2395 . 13 1 1 A 212 212 GLU HA H 218 4.525 4.211 0.314 1 1 2400 . 13 1 1 A 212 212 GLU C C 218 177.924 174.508 3.416 1 1 2401 . 13 1 1 A 212 212 GLU CA C 218 57.550 58.896 -1.346 1 1 2402 . 13 1 1 A 212 212 GLU CB C 218 28.811 28.847 -0.036 1 1 2404 . 13 1 1 A 212 212 GLU N N 218 122.631 116.174 6.457 1 1 2405 . 13 1 1 A 213 213 LYS H H 219 8.835 8.398 0.437 1 1 2406 . 13 1 1 A 213 213 LYS HA H 219 4.612 4.861 -0.249 1 1 2415 . 13 1 1 A 213 213 LYS C C 219 173.786 175.273 -1.487 1 1 2416 . 13 1 1 A 213 213 LYS CA C 219 53.115 55.513 -2.398 1 1 2417 . 13 1 1 A 213 213 LYS CB C 219 34.180 34.824 -0.644 1 1 2421 . 13 1 1 A 213 213 LYS N N 219 126.870 122.024 4.846 1 1 2422 . 13 1 1 A 214 214 GLY H H 220 7.929 9.345 -1.416 1 1 2423 . 13 1 1 A 214 214 GLY HA2 H 220 5.469 4.136 1.333 1 1 2424 . 13 1 1 A 214 214 GLY HA3 H 220 3.719 4.146 -0.427 1 1 2425 . 13 1 1 A 214 214 GLY C C 220 173.926 172.946 0.980 1 1 2426 . 13 1 1 A 214 214 GLY CA C 220 44.536 44.283 0.253 1 1 2427 . 13 1 1 A 214 214 GLY N N 220 107.019 114.282 -7.263 1 1 2428 . 13 1 1 A 215 215 SER H H 221 8.678 8.655 0.023 1 1 2429 . 13 1 1 A 215 215 SER HA H 221 5.460 5.459 0.001 1 1 2432 . 13 1 1 A 215 215 SER C C 221 171.043 172.892 -1.849 1 1 2433 . 13 1 1 A 215 215 SER CA C 221 56.810 57.192 -0.382 1 1 2434 . 13 1 1 A 215 215 SER CB C 221 66.671 66.287 0.384 1 1 2435 . 13 1 1 A 215 215 SER N N 221 117.334 113.752 3.582 1 1 2436 . 13 1 1 A 216 216 TYR H H 222 8.958 9.030 -0.072 1 1 2437 . 13 1 1 A 216 216 TYR HA H 222 5.389 5.585 -0.196 1 1 2445 . 13 1 1 A 216 216 TYR C C 222 172.789 172.745 0.044 1 1 2446 . 13 1 1 A 216 216 TYR CA C 222 55.819 55.738 0.081 1 1 2447 . 13 1 1 A 216 216 TYR CB C 222 41.681 42.655 -0.974 1 1 2448 . 13 1 1 A 216 216 TYR N N 222 117.645 118.947 -1.302 1 1 2449 . 13 1 1 A 217 217 SER H H 223 8.837 8.859 -0.022 1 1 2450 . 13 1 1 A 217 217 SER HA H 223 5.165 5.080 0.085 1 1 2453 . 13 1 1 A 217 217 SER C C 223 173.125 172.234 0.891 1 1 2454 . 13 1 1 A 217 217 SER CA C 223 56.600 56.790 -0.190 1 1 2455 . 13 1 1 A 217 217 SER CB C 223 64.500 65.356 -0.856 1 1 2456 . 13 1 1 A 217 217 SER N N 223 115.593 115.346 0.247 1 1 2457 . 13 1 1 A 218 218 LEU H H 224 9.299 8.551 0.748 1 1 2458 . 13 1 1 A 218 218 LEU HA H 224 4.748 4.928 -0.180 1 1 2468 . 13 1 1 A 218 218 LEU C C 224 175.567 174.635 0.932 1 1 2469 . 13 1 1 A 218 218 LEU CA C 224 53.138 53.807 -0.669 1 1 2470 . 13 1 1 A 218 218 LEU CB C 224 46.255 44.738 1.517 1 1 2474 . 13 1 1 A 218 218 LEU N N 224 123.523 121.818 1.705 1 1 2475 . 13 1 1 A 219 219 GLY H H 225 9.041 8.482 0.559 1 1 2476 . 13 1 1 A 219 219 GLY HA2 H 225 4.620 4.213 0.407 1 1 2477 . 13 1 1 A 219 219 GLY HA3 H 225 3.413 4.264 -0.851 1 1 2478 . 13 1 1 A 219 219 GLY C C 225 171.514 172.046 -0.532 1 1 2479 . 13 1 1 A 219 219 GLY CA C 225 43.777 44.458 -0.681 1 1 2480 . 13 1 1 A 219 219 GLY N N 225 108.999 105.961 3.038 1 1 2481 . 13 1 1 A 220 220 ILE H H 226 6.853 8.594 -1.741 1 1 2482 . 13 1 1 A 220 220 ILE HA H 226 4.615 4.640 -0.025 1 1 2492 . 13 1 1 A 220 220 ILE C C 226 174.750 175.438 -0.688 1 1 2493 . 13 1 1 A 220 220 ILE CA C 226 60.421 61.274 -0.853 1 1 2494 . 13 1 1 A 220 220 ILE CB C 226 38.213 38.261 -0.048 1 1 2498 . 13 1 1 A 220 220 ILE N N 226 120.223 121.713 -1.490 1 1 2499 . 13 1 1 A 221 221 PHE H H 227 9.392 9.051 0.341 1 1 2500 . 13 1 1 A 221 221 PHE HA H 227 4.770 5.043 -0.273 1 1 2507 . 13 1 1 A 221 221 PHE C C 227 175.093 175.563 -0.470 1 1 2508 . 13 1 1 A 221 221 PHE CA C 227 58.053 56.550 1.503 1 1 2509 . 13 1 1 A 221 221 PHE CB C 227 42.505 42.273 0.232 1 1 2510 . 13 1 1 A 221 221 PHE N N 227 128.229 124.860 3.369 1 1 2511 . 13 1 1 A 222 222 GLY H H 228 8.675 8.657 0.018 1 1 2512 . 13 1 1 A 222 222 GLY HA2 H 228 3.174 3.872 -0.698 1 1 2513 . 13 1 1 A 222 222 GLY HA3 H 228 4.311 3.986 0.325 1 1 2514 . 13 1 1 A 222 222 GLY CA C 228 42.438 44.734 -2.296 1 1 2515 . 13 1 1 A 222 222 GLY N N 228 104.634 110.622 -5.988 1 1 2516 . 13 1 1 A 223 223 GLY CA C 229 46.870 45.672 1.198 1 1 2517 . 13 1 1 A 224 224 LYS H H 230 8.366 7.910 0.456 1 1 2518 . 13 1 1 A 224 224 LYS HA H 230 4.305 4.665 -0.360 1 1 2523 . 13 1 1 A 224 224 LYS C C 230 174.717 176.336 -1.619 1 1 2524 . 13 1 1 A 224 224 LYS CA C 230 54.119 57.526 -3.407 1 1 2525 . 13 1 1 A 224 224 LYS CB C 230 30.821 34.695 -3.874 1 1 2527 . 13 1 1 A 224 224 LYS N N 230 118.720 118.883 -0.163 1 1 2528 . 13 1 1 A 225 225 ALA H H 231 7.633 7.907 -0.274 1 1 2529 . 13 1 1 A 225 225 ALA HA H 231 3.810 4.704 -0.894 1 1 2533 . 13 1 1 A 225 225 ALA C C 231 176.702 178.326 -1.624 1 1 2534 . 13 1 1 A 225 225 ALA CA C 231 51.868 51.709 0.159 1 1 2535 . 13 1 1 A 225 225 ALA CB C 231 16.117 20.091 -3.974 1 1 2536 . 13 1 1 A 225 225 ALA N N 231 118.077 120.382 -2.305 1 1 2537 . 13 1 1 A 226 226 GLN H H 232 9.387 8.591 0.796 1 1 2538 . 13 1 1 A 226 226 GLN HA H 232 3.877 4.469 -0.592 1 1 2543 . 13 1 1 A 226 226 GLN C C 232 175.992 176.294 -0.302 1 1 2544 . 13 1 1 A 226 226 GLN CA C 232 60.989 58.201 2.788 1 1 2545 . 13 1 1 A 226 226 GLN CB C 232 28.695 29.553 -0.858 1 1 2547 . 13 1 1 A 226 226 GLN N N 232 117.991 119.430 -1.439 1 1 2548 . 13 1 1 A 227 227 GLU H H 233 8.825 7.959 0.866 1 1 2549 . 13 1 1 A 227 227 GLU HA H 233 5.411 4.841 0.570 1 1 2554 . 13 1 1 A 227 227 GLU C C 233 174.939 174.056 0.883 1 1 2555 . 13 1 1 A 227 227 GLU CA C 233 54.289 55.275 -0.986 1 1 2556 . 13 1 1 A 227 227 GLU CB C 233 33.797 32.757 1.040 1 1 2558 . 13 1 1 A 227 227 GLU N N 233 116.638 115.180 1.458 1 1 2559 . 13 1 1 A 228 228 VAL H H 234 8.343 8.656 -0.313 1 1 2560 . 13 1 1 A 228 228 VAL HA H 234 5.544 5.136 0.408 1 1 2568 . 13 1 1 A 228 228 VAL C C 234 174.839 174.495 0.344 1 1 2569 . 13 1 1 A 228 228 VAL CA C 234 57.867 60.127 -2.260 1 1 2570 . 13 1 1 A 228 228 VAL CB C 234 35.379 35.010 0.369 1 1 2573 . 13 1 1 A 228 228 VAL N N 234 109.304 115.967 -6.663 1 1 2574 . 13 1 1 A 229 229 ALA H H 235 8.475 8.692 -0.217 1 1 2575 . 13 1 1 A 229 229 ALA HA H 235 4.937 4.967 -0.030 1 1 2579 . 13 1 1 A 229 229 ALA C C 235 176.417 175.911 0.506 1 1 2580 . 13 1 1 A 229 229 ALA CA C 235 51.303 51.118 0.185 1 1 2581 . 13 1 1 A 229 229 ALA CB C 235 20.301 22.792 -2.491 1 1 2582 . 13 1 1 A 229 229 ALA N N 235 120.653 124.039 -3.386 1 1 2583 . 13 1 1 A 230 230 GLY H H 236 9.361 8.255 1.106 1 1 2584 . 13 1 1 A 230 230 GLY HA2 H 236 5.075 4.274 0.801 1 1 2585 . 13 1 1 A 230 230 GLY HA3 H 236 4.017 4.285 -0.268 1 1 2586 . 13 1 1 A 230 230 GLY C C 236 170.130 172.031 -1.901 1 1 2587 . 13 1 1 A 230 230 GLY CA C 236 46.221 45.931 0.290 1 1 2588 . 13 1 1 A 230 230 GLY N N 236 111.104 106.217 4.887 1 1 2589 . 13 1 1 A 231 231 SER H H 237 8.889 8.830 0.059 1 1 2590 . 13 1 1 A 231 231 SER HA H 237 5.276 5.367 -0.091 1 1 2593 . 13 1 1 A 231 231 SER C C 237 171.360 173.079 -1.719 1 1 2594 . 13 1 1 A 231 231 SER CA C 237 56.498 57.352 -0.854 1 1 2595 . 13 1 1 A 231 231 SER CB C 237 66.398 66.545 -0.147 1 1 2596 . 13 1 1 A 231 231 SER N N 237 115.308 116.136 -0.828 1 1 2597 . 13 1 1 A 232 232 ALA H H 238 9.083 8.739 0.344 1 1 2598 . 13 1 1 A 232 232 ALA HA H 238 5.148 5.324 -0.176 1 1 2602 . 13 1 1 A 232 232 ALA C C 238 174.537 175.630 -1.093 1 1 2603 . 13 1 1 A 232 232 ALA CA C 238 49.904 50.859 -0.955 1 1 2604 . 13 1 1 A 232 232 ALA CB C 238 21.729 22.554 -0.825 1 1 2605 . 13 1 1 A 232 232 ALA N N 238 119.911 123.073 -3.162 1 1 2606 . 13 1 1 A 233 233 GLU H H 239 9.015 9.006 0.009 1 1 2607 . 13 1 1 A 233 233 GLU HA H 239 4.631 5.102 -0.471 1 1 2612 . 13 1 1 A 233 233 GLU C C 239 174.122 175.193 -1.071 1 1 2613 . 13 1 1 A 233 233 GLU CA C 239 54.786 54.623 0.163 1 1 2614 . 13 1 1 A 233 233 GLU CB C 239 31.355 32.617 -1.262 1 1 2616 . 13 1 1 A 233 233 GLU N N 239 122.744 122.796 -0.052 1 1 2617 . 13 1 1 A 234 234 VAL H H 240 8.792 8.857 -0.065 1 1 2618 . 13 1 1 A 234 234 VAL HA H 240 4.394 4.733 -0.339 1 1 2623 . 13 1 1 A 234 234 VAL C C 240 174.833 173.772 1.061 1 1 2624 . 13 1 1 A 234 234 VAL CA C 240 61.427 59.277 2.150 1 1 2625 . 13 1 1 A 234 234 VAL CB C 240 33.863 35.431 -1.568 1 1 2627 . 13 1 1 A 234 234 VAL N N 240 124.203 120.551 3.652 1 1 2628 . 13 1 1 A 235 235 LYS H H 241 8.841 8.457 0.384 1 1 2629 . 13 1 1 A 235 235 LYS HA H 241 3.981 4.776 -0.795 1 1 2638 . 13 1 1 A 235 235 LYS C C 241 174.548 175.647 -1.099 1 1 2639 . 13 1 1 A 235 235 LYS CA C 241 55.955 55.867 0.088 1 1 2640 . 13 1 1 A 235 235 LYS CB C 241 32.100 33.800 -1.700 1 1 2644 . 13 1 1 A 235 235 LYS N N 241 127.554 127.134 0.420 1 1 2645 . 13 1 1 A 236 236 THR H H 242 7.212 8.649 -1.437 1 1 2646 . 13 1 1 A 236 236 THR HA H 242 4.355 5.077 -0.722 1 1 2651 . 13 1 1 A 236 236 THR C C 242 176.482 174.219 2.263 1 1 2652 . 13 1 1 A 236 236 THR CA C 242 61.054 59.651 1.403 1 1 2653 . 13 1 1 A 236 236 THR CB C 242 72.642 71.402 1.240 1 1 2655 . 13 1 1 A 236 236 THR N N 242 114.463 113.838 0.625 1 1 2656 . 13 1 1 A 237 237 VAL H H 243 9.582 9.034 0.548 1 1 2657 . 13 1 1 A 237 237 VAL HA H 243 3.849 3.706 0.143 1 1 2665 . 13 1 1 A 237 237 VAL C C 243 176.201 177.565 -1.364 1 1 2666 . 13 1 1 A 237 237 VAL CA C 243 64.701 66.776 -2.075 1 1 2667 . 13 1 1 A 237 237 VAL CB C 243 31.028 31.773 -0.745 1 1 2669 . 13 1 1 A 237 237 VAL N N 243 120.670 125.752 -5.082 1 1 2670 . 13 1 1 A 238 238 ASN H H 244 7.572 7.619 -0.047 1 1 2671 . 13 1 1 A 238 238 ASN HA H 244 4.882 4.798 0.084 1 1 2676 . 13 1 1 A 238 238 ASN C C 244 173.835 175.753 -1.918 1 1 2677 . 13 1 1 A 238 238 ASN CA C 244 52.022 53.184 -1.162 1 1 2678 . 13 1 1 A 238 238 ASN CB C 244 39.176 38.906 0.270 1 1 2679 . 13 1 1 A 238 238 ASN N N 244 115.638 116.997 -1.359 1 1 2681 . 13 1 1 A 239 239 GLY H H 245 7.362 8.224 -0.862 1 1 2682 . 13 1 1 A 239 239 GLY HA2 H 245 4.539 4.033 0.506 1 1 2683 . 13 1 1 A 239 239 GLY HA3 H 245 3.728 4.042 -0.314 1 1 2684 . 13 1 1 A 239 239 GLY C C 245 174.343 173.015 1.328 1 1 2685 . 13 1 1 A 239 239 GLY CA C 245 43.316 46.065 -2.749 1 1 2686 . 13 1 1 A 239 239 GLY N N 245 107.650 106.295 1.355 1 1 2687 . 13 1 1 A 240 240 ILE H H 246 8.672 8.396 0.276 1 1 2688 . 13 1 1 A 240 240 ILE HA H 246 4.351 4.983 -0.632 1 1 2698 . 13 1 1 A 240 240 ILE C C 246 176.899 173.151 3.748 1 1 2699 . 13 1 1 A 240 240 ILE CA C 246 61.120 58.863 2.257 1 1 2700 . 13 1 1 A 240 240 ILE CB C 246 36.906 42.252 -5.346 1 1 2704 . 13 1 1 A 240 240 ILE N N 246 122.673 124.986 -2.313 1 1 2705 . 13 1 1 A 241 241 ARG H H 247 9.233 8.694 0.539 1 1 2706 . 13 1 1 A 241 241 ARG HA H 247 4.370 5.255 -0.885 1 1 2713 . 13 1 1 A 241 241 ARG C C 247 173.925 174.868 -0.943 1 1 2714 . 13 1 1 A 241 241 ARG CA C 247 53.461 54.405 -0.944 1 1 2715 . 13 1 1 A 241 241 ARG CB C 247 31.910 34.121 -2.211 1 1 2718 . 13 1 1 A 241 241 ARG N N 247 128.497 127.187 1.310 1 1 2719 . 13 1 1 A 242 242 HIS H H 248 8.519 9.124 -0.605 1 1 2720 . 13 1 1 A 242 242 HIS HA H 248 5.323 5.218 0.105 1 1 2725 . 13 1 1 A 242 242 HIS C C 248 174.635 174.716 -0.081 1 1 2726 . 13 1 1 A 242 242 HIS CA C 248 55.759 54.954 0.805 1 1 2727 . 13 1 1 A 242 242 HIS CB C 248 32.921 32.528 0.393 1 1 2728 . 13 1 1 A 242 242 HIS N N 248 121.131 121.166 -0.035 1 1 2729 . 13 1 1 A 243 243 ILE H H 249 8.723 9.061 -0.338 1 1 2730 . 13 1 1 A 243 243 ILE HA H 249 4.522 4.696 -0.174 1 1 2740 . 13 1 1 A 243 243 ILE C C 249 176.188 175.597 0.591 1 1 2741 . 13 1 1 A 243 243 ILE CA C 249 58.524 59.846 -1.322 1 1 2742 . 13 1 1 A 243 243 ILE CB C 249 41.977 42.258 -0.281 1 1 2746 . 13 1 1 A 243 243 ILE N N 249 119.438 123.326 -3.888 1 1 2747 . 13 1 1 A 244 244 GLY H H 250 9.351 8.708 0.643 1 1 2748 . 13 1 1 A 244 244 GLY HA2 H 250 3.707 3.284 0.423 1 1 2749 . 13 1 1 A 244 244 GLY HA3 H 250 2.119 3.931 -1.812 1 1 2750 . 13 1 1 A 244 244 GLY C C 250 170.981 171.898 -0.917 1 1 2751 . 13 1 1 A 244 244 GLY CA C 250 44.178 44.078 0.100 1 1 2752 . 13 1 1 A 244 244 GLY N N 250 113.700 114.547 -0.847 1 1 2753 . 13 1 1 A 245 245 LEU H H 251 7.833 8.320 -0.487 1 1 2754 . 13 1 1 A 245 245 LEU HA H 251 4.717 5.009 -0.292 1 1 2764 . 13 1 1 A 245 245 LEU C C 251 174.501 175.822 -1.321 1 1 2765 . 13 1 1 A 245 245 LEU CA C 251 52.508 53.433 -0.925 1 1 2766 . 13 1 1 A 245 245 LEU CB C 251 46.764 44.141 2.623 1 1 2770 . 13 1 1 A 245 245 LEU N N 251 120.798 124.125 -3.327 1 1 2771 . 13 1 1 A 246 246 ALA H H 252 7.906 8.582 -0.676 1 1 2772 . 13 1 1 A 246 246 ALA HA H 252 4.589 4.876 -0.287 1 1 2776 . 13 1 1 A 246 246 ALA C C 252 173.363 175.555 -2.192 1 1 2777 . 13 1 1 A 246 246 ALA CA C 252 51.546 51.549 -0.003 1 1 2778 . 13 1 1 A 246 246 ALA CB C 252 21.524 20.774 0.750 1 1 2779 . 13 1 1 A 246 246 ALA N N 252 122.885 123.939 -1.054 1 1 2780 . 13 1 1 A 247 247 ALA H H 253 9.041 8.502 0.539 1 1 2781 . 13 1 1 A 247 247 ALA HA H 253 4.726 5.134 -0.408 1 1 2785 . 13 1 1 A 247 247 ALA C C 253 174.897 175.457 -0.560 1 1 2786 . 13 1 1 A 247 247 ALA CA C 253 51.723 51.001 0.722 1 1 2787 . 13 1 1 A 247 247 ALA CB C 253 22.967 23.858 -0.891 1 1 2788 . 13 1 1 A 247 247 ALA N N 253 122.967 123.194 -0.227 1 1 2789 . 13 1 1 A 248 248 LYS H H 254 8.171 9.004 -0.833 1 1 2790 . 13 1 1 A 248 248 LYS HA H 254 5.731 5.024 0.707 1 1 2797 . 13 1 1 A 248 248 LYS C C 254 175.094 175.259 -0.165 1 1 2798 . 13 1 1 A 248 248 LYS CA C 254 53.866 55.059 -1.193 1 1 2799 . 13 1 1 A 248 248 LYS CB C 254 36.312 36.300 0.012 1 1 2802 . 13 1 1 A 248 248 LYS N N 254 115.734 121.118 -5.384 1 1 60 . 14 1 1 A 9 9 GLY H H 15 8.346 8.297 0.049 1 1 61 . 14 1 1 A 9 9 GLY HA2 H 15 4.021 3.914 0.107 1 1 62 . 14 1 1 A 9 9 GLY HA3 H 15 3.772 3.914 -0.142 1 1 63 . 14 1 1 A 9 9 GLY C C 15 174.259 175.033 -0.774 1 1 64 . 14 1 1 A 9 9 GLY CA C 15 45.581 45.815 -0.234 1 1 65 . 14 1 1 A 9 9 GLY N N 15 107.368 106.838 0.530 1 1 66 . 14 1 1 A 10 10 LEU H H 16 7.224 7.973 -0.749 1 1 67 . 14 1 1 A 10 10 LEU HA H 16 3.736 4.066 -0.330 1 1 77 . 14 1 1 A 10 10 LEU C C 16 178.202 179.300 -1.098 1 1 78 . 14 1 1 A 10 10 LEU CA C 16 57.915 57.464 0.451 1 1 79 . 14 1 1 A 10 10 LEU CB C 16 40.686 41.078 -0.392 1 1 83 . 14 1 1 A 10 10 LEU N N 16 117.616 120.292 -2.676 1 1 84 . 14 1 1 A 11 11 ALA H H 17 7.860 8.305 -0.445 1 1 85 . 14 1 1 A 11 11 ALA HA H 17 3.937 4.096 -0.159 1 1 89 . 14 1 1 A 11 11 ALA C C 17 181.090 178.393 2.697 1 1 90 . 14 1 1 A 11 11 ALA CA C 17 54.860 55.372 -0.512 1 1 91 . 14 1 1 A 11 11 ALA CB C 17 17.248 18.000 -0.752 1 1 92 . 14 1 1 A 11 11 ALA N N 17 117.757 122.649 -4.892 1 1 93 . 14 1 1 A 12 12 ASP H H 18 8.017 8.377 -0.360 1 1 94 . 14 1 1 A 12 12 ASP HA H 18 4.223 4.330 -0.107 1 1 97 . 14 1 1 A 12 12 ASP C C 18 177.941 178.079 -0.138 1 1 98 . 14 1 1 A 12 12 ASP CA C 18 56.341 57.345 -1.004 1 1 99 . 14 1 1 A 12 12 ASP CB C 18 39.312 41.526 -2.214 1 1 100 . 14 1 1 A 12 12 ASP N N 18 118.410 118.417 -0.007 1 1 101 . 14 1 1 A 13 13 ALA H H 19 8.205 7.752 0.453 1 1 102 . 14 1 1 A 13 13 ALA HA H 19 3.952 4.193 -0.241 1 1 106 . 14 1 1 A 13 13 ALA C C 19 178.856 178.027 0.829 1 1 107 . 14 1 1 A 13 13 ALA CA C 19 55.039 53.906 1.133 1 1 108 . 14 1 1 A 13 13 ALA CB C 19 17.779 18.450 -0.671 1 1 109 . 14 1 1 A 13 13 ALA N N 19 121.480 121.021 0.459 1 1 110 . 14 1 1 A 14 14 LEU H H 20 7.217 7.510 -0.293 1 1 111 . 14 1 1 A 14 14 LEU HA H 20 4.258 4.340 -0.082 1 1 121 . 14 1 1 A 14 14 LEU C C 20 177.544 178.188 -0.644 1 1 122 . 14 1 1 A 14 14 LEU CA C 20 55.511 55.653 -0.142 1 1 123 . 14 1 1 A 14 14 LEU CB C 20 42.176 43.038 -0.862 1 1 126 . 14 1 1 A 14 14 LEU N N 20 113.410 116.369 -2.959 1 1 127 . 14 1 1 A 15 15 THR H H 21 7.624 7.836 -0.212 1 1 128 . 14 1 1 A 15 15 THR HA H 21 4.394 4.309 0.085 1 1 133 . 14 1 1 A 15 15 THR C C 21 174.959 174.744 0.215 1 1 134 . 14 1 1 A 15 15 THR CA C 21 61.733 62.413 -0.680 1 1 135 . 14 1 1 A 15 15 THR CB C 21 71.514 69.193 2.321 1 1 137 . 14 1 1 A 15 15 THR N N 21 106.072 107.319 -1.247 1 1 138 . 14 1 1 A 16 16 ALA H H 22 8.932 7.574 1.358 1 1 139 . 14 1 1 A 16 16 ALA HA H 22 4.624 4.786 -0.162 1 1 143 . 14 1 1 A 16 16 ALA C C 22 175.978 174.935 1.043 1 1 144 . 14 1 1 A 16 16 ALA CA C 22 50.681 49.859 0.822 1 1 145 . 14 1 1 A 16 16 ALA CB C 22 18.728 21.840 -3.112 1 1 146 . 14 1 1 A 16 16 ALA N N 22 127.789 122.146 5.643 1 1 147 . 14 1 1 A 17 17 PRO HA H 23 4.430 4.686 -0.256 1 1 154 . 14 1 1 A 17 17 PRO CA C 23 61.497 62.425 -0.928 1 1 155 . 14 1 1 A 17 17 PRO CB C 23 31.775 33.436 -1.661 1 1 158 . 14 1 1 A 18 18 LEU H H 24 8.154 8.858 -0.704 1 1 159 . 14 1 1 A 18 18 LEU HA H 24 3.894 4.325 -0.431 1 1 169 . 14 1 1 A 18 18 LEU C C 24 176.447 176.664 -0.217 1 1 170 . 14 1 1 A 18 18 LEU CA C 24 55.510 55.514 -0.004 1 1 171 . 14 1 1 A 18 18 LEU CB C 24 40.921 42.335 -1.414 1 1 175 . 14 1 1 A 18 18 LEU N N 24 121.010 119.900 1.110 1 1 176 . 14 1 1 A 19 19 ASP H H 25 8.758 8.029 0.729 1 1 177 . 14 1 1 A 19 19 ASP HA H 25 4.626 4.861 -0.235 1 1 180 . 14 1 1 A 19 19 ASP C C 25 176.425 175.428 0.997 1 1 181 . 14 1 1 A 19 19 ASP CA C 25 52.688 53.299 -0.611 1 1 182 . 14 1 1 A 19 19 ASP CB C 25 42.819 43.810 -0.991 1 1 183 . 14 1 1 A 19 19 ASP N N 25 124.654 114.704 9.950 1 1 184 . 14 1 1 A 20 20 HIS HA H 26 4.272 4.207 0.065 1 1 189 . 14 1 1 A 20 20 HIS CA C 26 58.100 59.420 -1.320 1 1 190 . 14 1 1 A 20 20 HIS CB C 26 29.200 29.333 -0.133 1 1 191 . 14 1 1 A 21 21 LYS H H 27 8.348 7.140 1.208 1 1 192 . 14 1 1 A 21 21 LYS HA H 27 3.970 4.429 -0.459 1 1 201 . 14 1 1 A 21 21 LYS C C 27 177.393 175.845 1.548 1 1 202 . 14 1 1 A 21 21 LYS CA C 27 56.320 55.906 0.414 1 1 203 . 14 1 1 A 21 21 LYS CB C 27 30.950 34.201 -3.251 1 1 206 . 14 1 1 A 21 21 LYS N N 27 118.419 112.758 5.661 1 1 207 . 14 1 1 A 22 22 ASP H H 28 7.451 8.460 -1.009 1 1 208 . 14 1 1 A 22 22 ASP HA H 28 4.307 4.539 -0.232 1 1 211 . 14 1 1 A 22 22 ASP C C 28 176.212 176.191 0.021 1 1 212 . 14 1 1 A 22 22 ASP CA C 28 54.164 55.636 -1.472 1 1 213 . 14 1 1 A 22 22 ASP CB C 28 40.091 40.141 -0.050 1 1 214 . 14 1 1 A 22 22 ASP N N 28 120.045 120.551 -0.506 1 1 215 . 14 1 1 A 23 23 LYS H H 29 8.416 8.709 -0.293 1 1 216 . 14 1 1 A 23 23 LYS HA H 29 3.962 4.507 -0.545 1 1 225 . 14 1 1 A 23 23 LYS C C 29 177.409 176.158 1.251 1 1 226 . 14 1 1 A 23 23 LYS CA C 29 56.254 57.052 -0.798 1 1 227 . 14 1 1 A 23 23 LYS CB C 29 31.950 33.802 -1.852 1 1 231 . 14 1 1 A 23 23 LYS N N 29 121.925 124.421 -2.496 1 1 232 . 14 1 1 A 24 24 GLY H H 30 8.612 7.813 0.799 1 1 233 . 14 1 1 A 24 24 GLY HA2 H 30 3.655 4.081 -0.426 1 1 234 . 14 1 1 A 24 24 GLY HA3 H 30 3.519 4.119 -0.600 1 1 235 . 14 1 1 A 24 24 GLY CA C 30 44.788 45.468 -0.680 1 1 236 . 14 1 1 A 24 24 GLY N N 30 111.487 108.325 3.162 1 1 237 . 14 1 1 A 25 25 LEU H H 31 8.054 8.453 -0.399 1 1 238 . 14 1 1 A 25 25 LEU HA H 31 3.770 4.361 -0.591 1 1 248 . 14 1 1 A 25 25 LEU CA C 31 55.906 54.990 0.916 1 1 249 . 14 1 1 A 25 25 LEU CB C 31 44.428 42.456 1.972 1 1 253 . 14 1 1 A 25 25 LEU N N 31 127.196 123.110 4.086 1 1 254 . 14 1 1 A 26 26 GLN H H 32 9.184 8.728 0.456 1 1 255 . 14 1 1 A 26 26 GLN HA H 32 3.437 4.837 -1.400 1 1 262 . 14 1 1 A 26 26 GLN C C 32 174.347 174.678 -0.331 1 1 263 . 14 1 1 A 26 26 GLN CA C 32 57.926 55.189 2.737 1 1 264 . 14 1 1 A 26 26 GLN CB C 32 27.721 29.868 -2.147 1 1 266 . 14 1 1 A 26 26 GLN N N 32 131.782 123.453 8.329 1 1 268 . 14 1 1 A 27 27 SER H H 33 7.240 7.648 -0.408 1 1 269 . 14 1 1 A 27 27 SER HA H 33 4.981 4.725 0.256 1 1 272 . 14 1 1 A 27 27 SER C C 33 171.111 172.303 -1.192 1 1 273 . 14 1 1 A 27 27 SER CA C 33 56.782 57.712 -0.930 1 1 274 . 14 1 1 A 27 27 SER CB C 33 64.611 65.502 -0.891 1 1 275 . 14 1 1 A 27 27 SER N N 33 108.936 112.500 -3.564 1 1 276 . 14 1 1 A 28 28 LEU H H 34 8.010 8.916 -0.906 1 1 277 . 14 1 1 A 28 28 LEU HA H 34 4.372 4.987 -0.615 1 1 287 . 14 1 1 A 28 28 LEU C C 34 174.697 174.750 -0.053 1 1 288 . 14 1 1 A 28 28 LEU CA C 34 53.332 53.682 -0.350 1 1 289 . 14 1 1 A 28 28 LEU CB C 34 45.636 45.619 0.017 1 1 293 . 14 1 1 A 28 28 LEU N N 34 121.826 121.562 0.264 1 1 294 . 14 1 1 A 29 29 THR H H 35 8.810 8.883 -0.073 1 1 295 . 14 1 1 A 29 29 THR HA H 35 4.046 4.866 -0.820 1 1 300 . 14 1 1 A 29 29 THR C C 35 172.792 173.872 -1.080 1 1 301 . 14 1 1 A 29 29 THR CA C 35 62.565 62.090 0.475 1 1 302 . 14 1 1 A 29 29 THR CB C 35 68.233 69.589 -1.356 1 1 304 . 14 1 1 A 29 29 THR N N 35 123.892 121.594 2.298 1 1 305 . 14 1 1 A 30 30 LEU H H 36 8.662 8.414 0.248 1 1 306 . 14 1 1 A 30 30 LEU HA H 36 4.150 4.821 -0.671 1 1 316 . 14 1 1 A 30 30 LEU C C 36 174.707 176.818 -2.111 1 1 317 . 14 1 1 A 30 30 LEU CA C 36 53.789 54.047 -0.258 1 1 318 . 14 1 1 A 30 30 LEU CB C 36 40.562 40.726 -0.164 1 1 322 . 14 1 1 A 30 30 LEU N N 36 128.365 127.040 1.325 1 1 323 . 14 1 1 A 31 31 ASP H H 37 8.500 7.881 0.619 1 1 324 . 14 1 1 A 31 31 ASP HA H 37 4.837 4.429 0.408 1 1 327 . 14 1 1 A 31 31 ASP CA C 37 54.657 57.104 -2.447 1 1 328 . 14 1 1 A 31 31 ASP CB C 37 43.089 40.572 2.517 1 1 329 . 14 1 1 A 31 31 ASP N N 37 123.194 121.163 2.031 1 1 330 . 14 1 1 A 32 32 GLN H H 38 10.453 7.980 2.473 1 1 331 . 14 1 1 A 32 32 GLN HA H 38 3.808 4.515 -0.707 1 1 338 . 14 1 1 A 32 32 GLN C C 38 178.535 177.853 0.682 1 1 339 . 14 1 1 A 32 32 GLN CA C 38 56.284 56.249 0.035 1 1 340 . 14 1 1 A 32 32 GLN CB C 38 28.175 30.213 -2.038 1 1 342 . 14 1 1 A 32 32 GLN N N 38 120.692 116.120 4.572 1 1 344 . 14 1 1 A 33 33 SER H H 39 8.523 8.147 0.376 1 1 345 . 14 1 1 A 33 33 SER HA H 39 4.081 4.230 -0.149 1 1 348 . 14 1 1 A 33 33 SER C C 39 171.792 173.765 -1.973 1 1 349 . 14 1 1 A 33 33 SER CA C 39 61.436 61.688 -0.252 1 1 350 . 14 1 1 A 33 33 SER CB C 39 63.008 63.594 -0.586 1 1 351 . 14 1 1 A 33 33 SER N N 39 111.712 115.353 -3.641 1 1 352 . 14 1 1 A 34 34 VAL H H 40 6.691 7.512 -0.821 1 1 353 . 14 1 1 A 34 34 VAL HA H 40 3.890 4.513 -0.623 1 1 361 . 14 1 1 A 34 34 VAL C C 40 172.251 174.016 -1.765 1 1 362 . 14 1 1 A 34 34 VAL CA C 40 60.415 59.499 0.916 1 1 363 . 14 1 1 A 34 34 VAL CB C 40 32.306 35.516 -3.210 1 1 366 . 14 1 1 A 34 34 VAL N N 40 115.971 118.419 -2.448 1 1 367 . 14 1 1 A 35 35 ARG H H 41 8.184 8.370 -0.186 1 1 368 . 14 1 1 A 35 35 ARG HA H 41 4.176 4.846 -0.670 1 1 375 . 14 1 1 A 35 35 ARG C C 41 176.886 177.647 -0.761 1 1 376 . 14 1 1 A 35 35 ARG CA C 41 55.599 53.621 1.978 1 1 377 . 14 1 1 A 35 35 ARG CB C 41 30.569 33.041 -2.472 1 1 380 . 14 1 1 A 35 35 ARG N N 41 125.397 124.913 0.484 1 1 381 . 14 1 1 A 36 36 LYS H H 42 8.493 8.394 0.099 1 1 382 . 14 1 1 A 36 36 LYS HA H 42 3.778 4.069 -0.291 1 1 391 . 14 1 1 A 36 36 LYS C C 42 176.596 176.846 -0.250 1 1 392 . 14 1 1 A 36 36 LYS CA C 42 58.687 58.269 0.418 1 1 393 . 14 1 1 A 36 36 LYS CB C 42 31.959 32.154 -0.195 1 1 397 . 14 1 1 A 36 36 LYS N N 42 119.360 118.665 0.695 1 1 398 . 14 1 1 A 37 37 ASN H H 43 8.513 8.183 0.330 1 1 399 . 14 1 1 A 37 37 ASN HA H 43 4.438 4.962 -0.524 1 1 404 . 14 1 1 A 37 37 ASN C C 43 173.867 174.723 -0.856 1 1 405 . 14 1 1 A 37 37 ASN CA C 43 55.127 52.084 3.043 1 1 406 . 14 1 1 A 37 37 ASN CB C 43 37.071 38.447 -1.376 1 1 407 . 14 1 1 A 37 37 ASN N N 43 115.488 114.858 0.630 1 1 409 . 14 1 1 A 38 38 GLU H H 44 7.793 7.909 -0.116 1 1 410 . 14 1 1 A 38 38 GLU HA H 44 4.772 4.822 -0.050 1 1 413 . 14 1 1 A 38 38 GLU C C 44 175.262 174.225 1.037 1 1 414 . 14 1 1 A 38 38 GLU CA C 44 54.808 54.985 -0.177 1 1 415 . 14 1 1 A 38 38 GLU CB C 44 32.321 32.554 -0.233 1 1 416 . 14 1 1 A 38 38 GLU N N 44 118.734 119.854 -1.120 1 1 417 . 14 1 1 A 39 39 LYS H H 45 8.706 8.852 -0.146 1 1 418 . 14 1 1 A 39 39 LYS HA H 45 4.606 4.916 -0.310 1 1 427 . 14 1 1 A 39 39 LYS C C 45 174.312 175.546 -1.234 1 1 428 . 14 1 1 A 39 39 LYS CA C 45 52.782 54.754 -1.972 1 1 429 . 14 1 1 A 39 39 LYS CB C 45 35.174 35.002 0.172 1 1 433 . 14 1 1 A 39 39 LYS N N 45 117.132 126.378 -9.246 1 1 434 . 14 1 1 A 40 40 LEU H H 46 9.085 8.794 0.291 1 1 435 . 14 1 1 A 40 40 LEU HA H 46 5.044 5.364 -0.320 1 1 442 . 14 1 1 A 40 40 LEU C C 46 173.778 175.434 -1.656 1 1 443 . 14 1 1 A 40 40 LEU CA C 46 52.590 52.935 -0.345 1 1 444 . 14 1 1 A 40 40 LEU CB C 46 44.855 46.318 -1.463 1 1 447 . 14 1 1 A 40 40 LEU N N 46 125.335 122.419 2.916 1 1 448 . 14 1 1 A 41 41 LYS H H 47 9.263 9.005 0.258 1 1 449 . 14 1 1 A 41 41 LYS HA H 47 5.049 5.297 -0.248 1 1 458 . 14 1 1 A 41 41 LYS C C 47 175.616 175.544 0.072 1 1 459 . 14 1 1 A 41 41 LYS CA C 47 53.864 54.751 -0.887 1 1 460 . 14 1 1 A 41 41 LYS CB C 47 32.986 35.251 -2.265 1 1 464 . 14 1 1 A 41 41 LYS N N 47 129.833 120.354 9.479 1 1 465 . 14 1 1 A 42 42 LEU H H 48 8.954 9.104 -0.150 1 1 466 . 14 1 1 A 42 42 LEU HA H 48 5.458 4.833 0.625 1 1 476 . 14 1 1 A 42 42 LEU C C 48 175.565 175.921 -0.356 1 1 477 . 14 1 1 A 42 42 LEU CA C 48 51.964 54.187 -2.223 1 1 478 . 14 1 1 A 42 42 LEU CB C 48 44.393 42.613 1.780 1 1 482 . 14 1 1 A 42 42 LEU N N 48 126.292 124.444 1.848 1 1 483 . 14 1 1 A 43 43 ALA H H 49 8.804 8.465 0.339 1 1 484 . 14 1 1 A 43 43 ALA HA H 49 5.304 5.476 -0.172 1 1 488 . 14 1 1 A 43 43 ALA C C 49 176.301 175.742 0.559 1 1 489 . 14 1 1 A 43 43 ALA CA C 49 51.004 51.522 -0.518 1 1 490 . 14 1 1 A 43 43 ALA CB C 49 23.453 22.610 0.843 1 1 491 . 14 1 1 A 43 43 ALA N N 49 120.789 123.028 -2.239 1 1 492 . 14 1 1 A 44 44 ALA H H 50 8.117 8.813 -0.696 1 1 493 . 14 1 1 A 44 44 ALA HA H 50 4.485 4.584 -0.099 1 1 497 . 14 1 1 A 44 44 ALA C C 50 176.254 175.966 0.288 1 1 498 . 14 1 1 A 44 44 ALA CA C 50 53.021 51.973 1.048 1 1 499 . 14 1 1 A 44 44 ALA CB C 50 23.682 21.833 1.849 1 1 500 . 14 1 1 A 44 44 ALA N N 50 120.678 122.465 -1.787 1 1 501 . 14 1 1 A 45 45 GLN H H 51 9.035 9.233 -0.198 1 1 502 . 14 1 1 A 45 45 GLN HA H 51 3.774 4.003 -0.229 1 1 509 . 14 1 1 A 45 45 GLN C C 51 175.259 176.041 -0.782 1 1 510 . 14 1 1 A 45 45 GLN CA C 51 56.074 57.125 -1.051 1 1 511 . 14 1 1 A 45 45 GLN CB C 51 27.339 27.398 -0.059 1 1 513 . 14 1 1 A 45 45 GLN N N 51 116.299 123.071 -6.772 1 1 515 . 14 1 1 A 46 46 GLY H H 52 8.441 8.671 -0.230 1 1 516 . 14 1 1 A 46 46 GLY HA2 H 52 4.066 3.829 0.237 1 1 517 . 14 1 1 A 46 46 GLY HA3 H 52 3.510 3.834 -0.324 1 1 518 . 14 1 1 A 46 46 GLY C C 52 173.050 173.803 -0.753 1 1 519 . 14 1 1 A 46 46 GLY CA C 52 44.998 45.413 -0.415 1 1 520 . 14 1 1 A 46 46 GLY N N 52 105.419 104.123 1.296 1 1 521 . 14 1 1 A 47 47 ALA H H 53 8.152 7.877 0.275 1 1 522 . 14 1 1 A 47 47 ALA HA H 53 4.767 4.620 0.147 1 1 526 . 14 1 1 A 47 47 ALA C C 53 175.989 176.530 -0.541 1 1 527 . 14 1 1 A 47 47 ALA CA C 53 49.918 51.613 -1.695 1 1 528 . 14 1 1 A 47 47 ALA CB C 53 22.720 20.630 2.090 1 1 529 . 14 1 1 A 47 47 ALA N N 53 124.355 123.788 0.567 1 1 530 . 14 1 1 A 48 48 GLU H H 54 8.156 9.008 -0.852 1 1 531 . 14 1 1 A 48 48 GLU HA H 54 5.488 5.466 0.022 1 1 536 . 14 1 1 A 48 48 GLU C C 54 174.224 174.384 -0.160 1 1 537 . 14 1 1 A 48 48 GLU CA C 54 54.346 55.033 -0.687 1 1 538 . 14 1 1 A 48 48 GLU CB C 54 34.305 33.721 0.584 1 1 540 . 14 1 1 A 48 48 GLU N N 54 116.655 116.522 0.133 1 1 541 . 14 1 1 A 49 49 LYS H H 55 8.852 8.574 0.278 1 1 542 . 14 1 1 A 49 49 LYS HA H 55 4.190 5.132 -0.942 1 1 549 . 14 1 1 A 49 49 LYS C C 55 172.887 175.423 -2.536 1 1 550 . 14 1 1 A 49 49 LYS CA C 55 56.414 54.691 1.723 1 1 551 . 14 1 1 A 49 49 LYS CB C 55 34.723 36.133 -1.410 1 1 554 . 14 1 1 A 49 49 LYS N N 55 122.922 122.069 0.853 1 1 555 . 14 1 1 A 50 50 THR H H 56 7.910 8.816 -0.906 1 1 556 . 14 1 1 A 50 50 THR HA H 56 4.908 5.067 -0.159 1 1 561 . 14 1 1 A 50 50 THR C C 56 173.112 173.336 -0.224 1 1 562 . 14 1 1 A 50 50 THR CA C 56 61.998 62.040 -0.042 1 1 563 . 14 1 1 A 50 50 THR CB C 56 68.596 70.104 -1.508 1 1 565 . 14 1 1 A 50 50 THR N N 56 120.811 119.322 1.489 1 1 566 . 14 1 1 A 51 51 TYR H H 57 9.432 9.506 -0.074 1 1 567 . 14 1 1 A 51 51 TYR HA H 57 4.493 5.339 -0.846 1 1 574 . 14 1 1 A 51 51 TYR C C 57 174.156 173.880 0.276 1 1 575 . 14 1 1 A 51 51 TYR CA C 57 57.375 55.838 1.537 1 1 576 . 14 1 1 A 51 51 TYR CB C 57 41.895 42.218 -0.323 1 1 577 . 14 1 1 A 51 51 TYR N N 57 127.372 123.829 3.543 1 1 578 . 14 1 1 A 52 52 GLY H H 58 9.154 8.323 0.831 1 1 579 . 14 1 1 A 52 52 GLY HA2 H 58 3.543 3.906 -0.363 1 1 580 . 14 1 1 A 52 52 GLY HA3 H 58 3.543 4.050 -0.507 1 1 581 . 14 1 1 A 52 52 GLY C C 58 172.527 173.648 -1.121 1 1 582 . 14 1 1 A 52 52 GLY CA C 58 42.304 45.533 -3.229 1 1 583 . 14 1 1 A 52 52 GLY N N 58 108.920 106.417 2.503 1 1 584 . 14 1 1 A 53 53 ASN H H 59 8.877 9.247 -0.370 1 1 585 . 14 1 1 A 53 53 ASN HA H 59 4.034 4.334 -0.300 1 1 588 . 14 1 1 A 53 53 ASN C C 59 176.319 174.634 1.685 1 1 589 . 14 1 1 A 53 53 ASN CA C 59 57.108 54.071 3.037 1 1 590 . 14 1 1 A 53 53 ASN CB C 59 39.672 37.349 2.323 1 1 591 . 14 1 1 A 53 53 ASN N N 59 117.281 119.705 -2.424 1 1 592 . 14 1 1 A 54 54 GLY H H 60 8.949 8.648 0.301 1 1 593 . 14 1 1 A 54 54 GLY HA2 H 60 4.222 3.985 0.237 1 1 594 . 14 1 1 A 54 54 GLY HA3 H 60 3.348 4.001 -0.653 1 1 595 . 14 1 1 A 54 54 GLY C C 60 174.096 173.324 0.772 1 1 596 . 14 1 1 A 54 54 GLY CA C 60 44.931 46.319 -1.388 1 1 597 . 14 1 1 A 54 54 GLY N N 60 114.860 104.994 9.866 1 1 598 . 14 1 1 A 55 55 ASP H H 61 7.991 8.146 -0.155 1 1 599 . 14 1 1 A 55 55 ASP HA H 61 4.493 5.132 -0.639 1 1 602 . 14 1 1 A 55 55 ASP C C 61 174.727 174.491 0.236 1 1 603 . 14 1 1 A 55 55 ASP CA C 61 54.408 53.087 1.321 1 1 604 . 14 1 1 A 55 55 ASP CB C 61 41.780 44.959 -3.179 1 1 605 . 14 1 1 A 55 55 ASP N N 61 121.974 121.565 0.409 1 1 606 . 14 1 1 A 56 56 SER H H 62 8.485 8.822 -0.337 1 1 607 . 14 1 1 A 56 56 SER HA H 62 4.959 5.389 -0.430 1 1 610 . 14 1 1 A 56 56 SER C C 62 173.099 171.956 1.143 1 1 611 . 14 1 1 A 56 56 SER CA C 62 57.154 56.151 1.003 1 1 612 . 14 1 1 A 56 56 SER CB C 62 64.522 66.234 -1.712 1 1 613 . 14 1 1 A 56 56 SER N N 62 113.088 114.460 -1.372 1 1 614 . 14 1 1 A 57 57 LEU H H 63 9.004 8.790 0.214 1 1 615 . 14 1 1 A 57 57 LEU HA H 63 4.500 4.888 -0.388 1 1 625 . 14 1 1 A 57 57 LEU C C 63 175.943 176.264 -0.321 1 1 626 . 14 1 1 A 57 57 LEU CA C 63 53.070 53.337 -0.267 1 1 627 . 14 1 1 A 57 57 LEU CB C 63 43.800 44.013 -0.213 1 1 630 . 14 1 1 A 57 57 LEU N N 63 126.423 125.034 1.389 1 1 631 . 14 1 1 A 58 58 ASN H H 64 8.484 8.785 -0.301 1 1 632 . 14 1 1 A 58 58 ASN HA H 64 4.752 4.766 -0.014 1 1 635 . 14 1 1 A 58 58 ASN C C 64 173.916 175.929 -2.013 1 1 636 . 14 1 1 A 58 58 ASN CA C 64 50.587 54.027 -3.440 1 1 637 . 14 1 1 A 58 58 ASN CB C 64 35.153 39.276 -4.123 1 1 638 . 14 1 1 A 58 58 ASN N N 64 125.624 124.929 0.695 1 1 639 . 14 1 1 A 59 59 THR H H 65 7.747 8.358 -0.611 1 1 640 . 14 1 1 A 59 59 THR HA H 65 4.770 4.716 0.054 1 1 645 . 14 1 1 A 59 59 THR C C 65 177.245 174.602 2.643 1 1 646 . 14 1 1 A 59 59 THR CA C 65 63.213 61.983 1.230 1 1 647 . 14 1 1 A 59 59 THR CB C 65 63.510 71.219 -7.709 1 1 649 . 14 1 1 A 59 59 THR N N 65 113.770 111.100 2.670 1 1 650 . 14 1 1 A 60 60 GLY H H 66 8.869 8.464 0.405 1 1 651 . 14 1 1 A 60 60 GLY HA2 H 66 3.839 4.004 -0.165 1 1 652 . 14 1 1 A 60 60 GLY HA3 H 66 3.724 4.007 -0.283 1 1 653 . 14 1 1 A 60 60 GLY C C 66 173.279 173.783 -0.504 1 1 654 . 14 1 1 A 60 60 GLY CA C 66 44.892 44.851 0.041 1 1 655 . 14 1 1 A 60 60 GLY N N 66 114.430 110.421 4.009 1 1 656 . 14 1 1 A 61 61 LYS H H 67 6.376 8.361 -1.985 1 1 657 . 14 1 1 A 61 61 LYS HA H 67 4.021 4.389 -0.368 1 1 666 . 14 1 1 A 61 61 LYS C C 67 176.315 175.250 1.065 1 1 667 . 14 1 1 A 61 61 LYS CA C 67 54.298 55.462 -1.164 1 1 668 . 14 1 1 A 61 61 LYS CB C 67 32.200 30.750 1.450 1 1 672 . 14 1 1 A 61 61 LYS N N 67 112.620 121.713 -9.093 1 1 673 . 14 1 1 A 62 62 LEU H H 68 7.335 7.530 -0.195 1 1 674 . 14 1 1 A 62 62 LEU HA H 68 4.275 4.622 -0.347 1 1 684 . 14 1 1 A 62 62 LEU C C 68 176.306 175.389 0.917 1 1 685 . 14 1 1 A 62 62 LEU CA C 68 52.479 54.145 -1.666 1 1 686 . 14 1 1 A 62 62 LEU CB C 68 40.600 41.733 -1.133 1 1 689 . 14 1 1 A 62 62 LEU N N 68 116.704 123.836 -7.132 1 1 690 . 14 1 1 A 63 63 LYS H H 69 8.506 8.632 -0.126 1 1 691 . 14 1 1 A 63 63 LYS HA H 69 3.992 4.405 -0.413 1 1 700 . 14 1 1 A 63 63 LYS C C 69 175.886 175.737 0.149 1 1 701 . 14 1 1 A 63 63 LYS CA C 69 54.986 56.473 -1.487 1 1 702 . 14 1 1 A 63 63 LYS CB C 69 32.447 32.347 0.100 1 1 706 . 14 1 1 A 63 63 LYS N N 69 119.841 125.790 -5.949 1 1 707 . 14 1 1 A 64 64 ASN H H 70 8.080 8.227 -0.147 1 1 708 . 14 1 1 A 64 64 ASN HA H 70 3.839 4.818 -0.979 1 1 713 . 14 1 1 A 64 64 ASN C C 70 174.449 174.431 0.018 1 1 714 . 14 1 1 A 64 64 ASN CA C 70 54.417 52.956 1.461 1 1 715 . 14 1 1 A 64 64 ASN CB C 70 38.129 40.251 -2.122 1 1 716 . 14 1 1 A 64 64 ASN N N 70 121.515 124.825 -3.310 1 1 718 . 14 1 1 A 65 65 ASP H H 71 9.218 7.975 1.243 1 1 719 . 14 1 1 A 65 65 ASP HA H 71 3.690 4.415 -0.725 1 1 722 . 14 1 1 A 65 65 ASP C C 71 173.016 174.665 -1.649 1 1 723 . 14 1 1 A 65 65 ASP CA C 71 54.726 55.560 -0.834 1 1 724 . 14 1 1 A 65 65 ASP CB C 71 38.534 39.005 -0.471 1 1 725 . 14 1 1 A 65 65 ASP N N 71 113.370 117.349 -3.979 1 1 726 . 14 1 1 A 66 66 LYS H H 72 6.443 7.585 -1.142 1 1 727 . 14 1 1 A 66 66 LYS HA H 72 4.411 4.715 -0.304 1 1 734 . 14 1 1 A 66 66 LYS C C 72 174.745 174.669 0.076 1 1 735 . 14 1 1 A 66 66 LYS CA C 72 53.094 54.883 -1.789 1 1 736 . 14 1 1 A 66 66 LYS CB C 72 36.099 35.187 0.912 1 1 739 . 14 1 1 A 66 66 LYS N N 72 113.415 113.733 -0.318 1 1 740 . 14 1 1 A 67 67 VAL H H 73 8.679 8.330 0.349 1 1 741 . 14 1 1 A 67 67 VAL HA H 73 4.189 4.204 -0.015 1 1 749 . 14 1 1 A 67 67 VAL C C 73 176.630 175.336 1.294 1 1 750 . 14 1 1 A 67 67 VAL CA C 73 62.135 60.902 1.233 1 1 751 . 14 1 1 A 67 67 VAL CB C 73 32.001 32.286 -0.285 1 1 753 . 14 1 1 A 67 67 VAL N N 73 122.098 118.613 3.485 1 1 754 . 14 1 1 A 68 68 SER H H 74 9.497 8.971 0.526 1 1 755 . 14 1 1 A 68 68 SER HA H 74 4.507 5.368 -0.861 1 1 758 . 14 1 1 A 68 68 SER C C 74 172.249 173.535 -1.286 1 1 759 . 14 1 1 A 68 68 SER CA C 74 58.323 55.782 2.541 1 1 760 . 14 1 1 A 68 68 SER CB C 74 64.028 65.910 -1.882 1 1 761 . 14 1 1 A 68 68 SER N N 74 127.048 120.794 6.254 1 1 762 . 14 1 1 A 69 69 ARG H H 75 7.848 8.243 -0.395 1 1 763 . 14 1 1 A 69 69 ARG HA H 75 5.031 4.456 0.575 1 1 770 . 14 1 1 A 69 69 ARG C C 75 173.300 175.561 -2.261 1 1 771 . 14 1 1 A 69 69 ARG CA C 75 55.337 55.869 -0.532 1 1 772 . 14 1 1 A 69 69 ARG CB C 75 31.871 31.014 0.857 1 1 775 . 14 1 1 A 69 69 ARG N N 75 122.621 121.255 1.366 1 1 776 . 14 1 1 A 70 70 PHE H H 76 9.246 8.652 0.594 1 1 777 . 14 1 1 A 70 70 PHE HA H 76 4.808 4.940 -0.132 1 1 784 . 14 1 1 A 70 70 PHE C C 76 175.788 174.362 1.426 1 1 785 . 14 1 1 A 70 70 PHE CA C 76 55.245 56.677 -1.432 1 1 786 . 14 1 1 A 70 70 PHE CB C 76 43.645 43.406 0.239 1 1 787 . 14 1 1 A 70 70 PHE N N 76 118.087 119.334 -1.247 1 1 788 . 14 1 1 A 71 71 ASP H H 77 9.144 8.778 0.366 1 1 789 . 14 1 1 A 71 71 ASP HA H 77 5.360 5.491 -0.131 1 1 792 . 14 1 1 A 71 71 ASP C C 77 176.477 176.226 0.251 1 1 793 . 14 1 1 A 71 71 ASP CA C 77 55.131 53.346 1.785 1 1 794 . 14 1 1 A 71 71 ASP CB C 77 41.301 43.380 -2.079 1 1 795 . 14 1 1 A 71 71 ASP N N 77 123.565 121.648 1.917 1 1 796 . 14 1 1 A 72 72 PHE H H 78 9.094 8.939 0.155 1 1 797 . 14 1 1 A 72 72 PHE HA H 78 6.431 5.729 0.702 1 1 805 . 14 1 1 A 72 72 PHE C C 78 174.014 173.035 0.979 1 1 806 . 14 1 1 A 72 72 PHE CA C 78 54.934 55.968 -1.034 1 1 807 . 14 1 1 A 72 72 PHE CB C 78 42.491 42.960 -0.469 1 1 808 . 14 1 1 A 72 72 PHE N N 78 119.663 117.877 1.786 1 1 809 . 14 1 1 A 73 73 ILE H H 79 8.623 8.626 -0.003 1 1 810 . 14 1 1 A 73 73 ILE HA H 79 4.334 4.808 -0.474 1 1 820 . 14 1 1 A 73 73 ILE C C 79 173.961 174.763 -0.802 1 1 821 . 14 1 1 A 73 73 ILE CA C 79 61.222 59.822 1.400 1 1 822 . 14 1 1 A 73 73 ILE CB C 79 41.918 40.711 1.207 1 1 826 . 14 1 1 A 73 73 ILE N N 79 119.750 120.960 -1.210 1 1 827 . 14 1 1 A 74 74 ARG H H 80 9.052 9.107 -0.055 1 1 828 . 14 1 1 A 74 74 ARG HA H 80 5.311 5.234 0.077 1 1 835 . 14 1 1 A 74 74 ARG C C 80 174.870 175.531 -0.661 1 1 836 . 14 1 1 A 74 74 ARG CA C 80 54.449 54.684 -0.235 1 1 837 . 14 1 1 A 74 74 ARG CB C 80 33.740 32.043 1.697 1 1 840 . 14 1 1 A 74 74 ARG N N 80 128.407 124.593 3.814 1 1 841 . 14 1 1 A 75 75 GLN H H 81 9.304 9.122 0.182 1 1 842 . 14 1 1 A 75 75 GLN HA H 81 5.562 5.199 0.363 1 1 849 . 14 1 1 A 75 75 GLN C C 81 173.678 174.267 -0.589 1 1 850 . 14 1 1 A 75 75 GLN CA C 81 53.745 54.057 -0.312 1 1 851 . 14 1 1 A 75 75 GLN CB C 81 34.013 32.118 1.895 1 1 853 . 14 1 1 A 75 75 GLN N N 81 125.481 121.404 4.077 1 1 855 . 14 1 1 A 76 76 ILE H H 82 8.592 8.626 -0.034 1 1 856 . 14 1 1 A 76 76 ILE HA H 82 4.576 4.694 -0.118 1 1 866 . 14 1 1 A 76 76 ILE C C 82 172.511 173.854 -1.343 1 1 867 . 14 1 1 A 76 76 ILE CA C 82 59.622 59.397 0.225 1 1 868 . 14 1 1 A 76 76 ILE CB C 82 42.248 41.497 0.751 1 1 872 . 14 1 1 A 76 76 ILE N N 82 115.536 121.325 -5.789 1 1 873 . 14 1 1 A 77 77 GLU H H 83 8.433 8.551 -0.118 1 1 874 . 14 1 1 A 77 77 GLU HA H 83 4.936 4.451 0.485 1 1 879 . 14 1 1 A 77 77 GLU C C 83 175.614 174.984 0.630 1 1 880 . 14 1 1 A 77 77 GLU CA C 83 54.812 55.306 -0.494 1 1 881 . 14 1 1 A 77 77 GLU CB C 83 30.465 28.853 1.612 1 1 883 . 14 1 1 A 77 77 GLU N N 83 124.858 126.578 -1.720 1 1 884 . 14 1 1 A 78 78 VAL H H 84 8.879 7.863 1.016 1 1 885 . 14 1 1 A 78 78 VAL HA H 84 4.076 3.692 0.384 1 1 893 . 14 1 1 A 78 78 VAL C C 84 175.694 176.053 -0.359 1 1 894 . 14 1 1 A 78 78 VAL CA C 84 61.382 63.729 -2.347 1 1 895 . 14 1 1 A 78 78 VAL CB C 84 34.014 31.513 2.501 1 1 897 . 14 1 1 A 78 78 VAL N N 84 126.973 126.653 0.320 1 1 898 . 14 1 1 A 79 79 ASP H H 85 9.329 9.536 -0.207 1 1 899 . 14 1 1 A 79 79 ASP HA H 85 4.156 4.336 -0.180 1 1 902 . 14 1 1 A 79 79 ASP C C 85 175.774 176.341 -0.567 1 1 903 . 14 1 1 A 79 79 ASP CA C 85 55.125 55.600 -0.475 1 1 904 . 14 1 1 A 79 79 ASP CB C 85 38.926 39.630 -0.704 1 1 905 . 14 1 1 A 79 79 ASP N N 85 129.387 129.021 0.366 1 1 906 . 14 1 1 A 80 80 GLY H H 86 8.575 8.414 0.161 1 1 907 . 14 1 1 A 80 80 GLY HA2 H 86 3.992 3.849 0.143 1 1 908 . 14 1 1 A 80 80 GLY HA3 H 86 3.507 3.849 -0.342 1 1 909 . 14 1 1 A 80 80 GLY C C 86 173.366 173.748 -0.382 1 1 910 . 14 1 1 A 80 80 GLY CA C 86 44.759 45.465 -0.706 1 1 911 . 14 1 1 A 80 80 GLY N N 86 103.293 104.465 -1.172 1 1 912 . 14 1 1 A 81 81 GLN H H 87 7.751 8.042 -0.291 1 1 913 . 14 1 1 A 81 81 GLN HA H 87 4.482 4.598 -0.116 1 1 918 . 14 1 1 A 81 81 GLN C C 87 173.874 174.016 -0.142 1 1 919 . 14 1 1 A 81 81 GLN CA C 87 53.328 54.682 -1.354 1 1 920 . 14 1 1 A 81 81 GLN CB C 87 30.670 30.912 -0.242 1 1 922 . 14 1 1 A 81 81 GLN N N 87 119.688 120.187 -0.499 1 1 923 . 14 1 1 A 82 82 LEU H H 88 8.418 8.764 -0.346 1 1 924 . 14 1 1 A 82 82 LEU HA H 88 4.630 4.941 -0.311 1 1 934 . 14 1 1 A 82 82 LEU C C 88 176.289 174.886 1.403 1 1 935 . 14 1 1 A 82 82 LEU CA C 88 53.834 53.911 -0.077 1 1 936 . 14 1 1 A 82 82 LEU CB C 88 41.737 44.035 -2.298 1 1 940 . 14 1 1 A 82 82 LEU N N 88 123.523 126.653 -3.130 1 1 941 . 14 1 1 A 83 83 ILE H H 89 9.146 8.868 0.278 1 1 942 . 14 1 1 A 83 83 ILE HA H 89 4.249 4.960 -0.711 1 1 952 . 14 1 1 A 83 83 ILE C C 89 175.698 174.596 1.102 1 1 953 . 14 1 1 A 83 83 ILE CA C 89 59.363 59.730 -0.367 1 1 954 . 14 1 1 A 83 83 ILE CB C 89 39.633 40.647 -1.014 1 1 958 . 14 1 1 A 83 83 ILE N N 89 127.151 128.375 -1.224 1 1 959 . 14 1 1 A 84 84 THR H H 90 8.656 8.804 -0.148 1 1 960 . 14 1 1 A 84 84 THR HA H 90 4.203 4.711 -0.508 1 1 965 . 14 1 1 A 84 84 THR C C 90 172.890 174.235 -1.345 1 1 966 . 14 1 1 A 84 84 THR CA C 90 62.641 59.771 2.870 1 1 967 . 14 1 1 A 84 84 THR CB C 90 68.634 68.633 0.001 1 1 969 . 14 1 1 A 84 84 THR N N 90 123.099 119.620 3.479 1 1 970 . 14 1 1 A 85 85 LEU H H 91 8.967 8.117 0.850 1 1 971 . 14 1 1 A 85 85 LEU HA H 91 4.256 4.620 -0.364 1 1 980 . 14 1 1 A 85 85 LEU C C 91 177.371 175.509 1.862 1 1 981 . 14 1 1 A 85 85 LEU CA C 91 55.527 54.260 1.267 1 1 982 . 14 1 1 A 85 85 LEU CB C 91 44.315 43.734 0.581 1 1 984 . 14 1 1 A 85 85 LEU N N 91 125.333 122.687 2.646 1 1 985 . 14 1 1 A 86 86 GLU H H 92 7.503 7.906 -0.403 1 1 986 . 14 1 1 A 86 86 GLU HA H 92 5.026 4.907 0.119 1 1 991 . 14 1 1 A 86 86 GLU C C 92 172.723 175.617 -2.894 1 1 992 . 14 1 1 A 86 86 GLU CA C 92 54.670 54.798 -0.128 1 1 993 . 14 1 1 A 86 86 GLU CB C 92 33.717 31.431 2.286 1 1 995 . 14 1 1 A 86 86 GLU N N 92 116.655 119.862 -3.207 1 1 996 . 14 1 1 A 87 87 SER H H 93 8.954 8.764 0.190 1 1 997 . 14 1 1 A 87 87 SER HA H 93 4.245 4.811 -0.566 1 1 1000 . 14 1 1 A 87 87 SER C C 93 172.763 173.061 -0.298 1 1 1001 . 14 1 1 A 87 87 SER CA C 93 57.328 56.546 0.782 1 1 1002 . 14 1 1 A 87 87 SER CB C 93 65.493 66.145 -0.652 1 1 1003 . 14 1 1 A 87 87 SER N N 93 117.941 118.166 -0.225 1 1 1004 . 14 1 1 A 88 88 GLY H H 94 6.932 7.805 -0.873 1 1 1005 . 14 1 1 A 88 88 GLY HA2 H 94 3.694 4.213 -0.519 1 1 1006 . 14 1 1 A 88 88 GLY HA3 H 94 3.694 4.221 -0.527 1 1 1007 . 14 1 1 A 88 88 GLY C C 94 171.117 171.637 -0.520 1 1 1008 . 14 1 1 A 88 88 GLY CA C 94 46.575 46.155 0.420 1 1 1009 . 14 1 1 A 88 88 GLY N N 94 108.625 106.909 1.716 1 1 1010 . 14 1 1 A 89 89 GLU H H 95 9.669 9.165 0.504 1 1 1011 . 14 1 1 A 89 89 GLU HA H 95 5.642 5.181 0.461 1 1 1016 . 14 1 1 A 89 89 GLU C C 95 173.226 175.952 -2.726 1 1 1017 . 14 1 1 A 89 89 GLU CA C 95 54.786 55.537 -0.751 1 1 1018 . 14 1 1 A 89 89 GLU CB C 95 34.334 32.615 1.719 1 1 1020 . 14 1 1 A 89 89 GLU N N 95 128.231 121.207 7.024 1 1 1021 . 14 1 1 A 90 90 PHE H H 96 10.365 9.025 1.340 1 1 1022 . 14 1 1 A 90 90 PHE HA H 96 5.048 4.930 0.118 1 1 1029 . 14 1 1 A 90 90 PHE C C 96 173.039 172.931 0.108 1 1 1030 . 14 1 1 A 90 90 PHE CA C 96 54.616 57.807 -3.191 1 1 1031 . 14 1 1 A 90 90 PHE CB C 96 42.090 42.087 0.003 1 1 1032 . 14 1 1 A 90 90 PHE N N 96 131.583 123.227 8.356 1 1 1033 . 14 1 1 A 91 91 GLN H H 97 8.685 8.959 -0.274 1 1 1034 . 14 1 1 A 91 91 GLN HA H 97 4.959 5.107 -0.148 1 1 1041 . 14 1 1 A 91 91 GLN C C 97 174.151 174.331 -0.180 1 1 1042 . 14 1 1 A 91 91 GLN CA C 97 53.174 54.456 -1.282 1 1 1043 . 14 1 1 A 91 91 GLN CB C 97 28.812 31.782 -2.970 1 1 1045 . 14 1 1 A 91 91 GLN N N 97 126.465 128.510 -2.045 1 1 1047 . 14 1 1 A 92 92 VAL H H 98 8.675 9.027 -0.352 1 1 1048 . 14 1 1 A 92 92 VAL HA H 98 4.569 4.524 0.045 1 1 1056 . 14 1 1 A 92 92 VAL C C 98 173.802 174.083 -0.281 1 1 1057 . 14 1 1 A 92 92 VAL CA C 98 59.715 61.194 -1.479 1 1 1058 . 14 1 1 A 92 92 VAL CB C 98 35.074 33.855 1.219 1 1 1061 . 14 1 1 A 92 92 VAL N N 98 118.841 126.000 -7.159 1 1 1062 . 14 1 1 A 93 93 TYR H H 99 8.896 9.146 -0.250 1 1 1063 . 14 1 1 A 93 93 TYR HA H 99 4.940 4.839 0.101 1 1 1070 . 14 1 1 A 93 93 TYR C C 99 173.330 174.716 -1.386 1 1 1071 . 14 1 1 A 93 93 TYR CA C 99 56.948 56.911 0.037 1 1 1072 . 14 1 1 A 93 93 TYR CB C 99 40.780 39.416 1.364 1 1 1073 . 14 1 1 A 93 93 TYR N N 99 127.563 129.062 -1.499 1 1 1074 . 14 1 1 A 94 94 LYS H H 100 5.813 9.100 -3.287 1 1 1075 . 14 1 1 A 94 94 LYS HA H 100 4.248 5.050 -0.802 1 1 1082 . 14 1 1 A 94 94 LYS CA C 100 55.660 54.743 0.917 1 1 1083 . 14 1 1 A 94 94 LYS CB C 100 35.870 34.658 1.212 1 1 1084 . 14 1 1 A 94 94 LYS N N 100 128.378 126.567 1.811 1 1 1085 . 14 1 1 A 95 95 GLN H H 101 8.438 8.372 0.066 1 1 1086 . 14 1 1 A 95 95 GLN HA H 101 5.028 4.645 0.383 1 1 1091 . 14 1 1 A 95 95 GLN C C 101 174.080 175.125 -1.045 1 1 1092 . 14 1 1 A 95 95 GLN CA C 101 54.043 54.762 -0.719 1 1 1093 . 14 1 1 A 95 95 GLN CB C 101 27.209 29.572 -2.363 1 1 1095 . 14 1 1 A 95 95 GLN N N 101 125.809 124.130 1.679 1 1 1096 . 14 1 1 A 96 96 SER H H 102 9.057 8.133 0.924 1 1 1097 . 14 1 1 A 96 96 SER HA H 102 3.041 4.310 -1.269 1 1 1100 . 14 1 1 A 96 96 SER CA C 102 62.985 60.815 2.170 1 1 1101 . 14 1 1 A 96 96 SER CB C 102 63.242 63.827 -0.585 1 1 1102 . 14 1 1 A 96 96 SER N N 102 117.650 117.552 0.098 1 1 1103 . 14 1 1 A 97 97 HIS H H 103 10.115 8.558 1.557 1 1 1104 . 14 1 1 A 97 97 HIS HA H 103 4.406 4.797 -0.391 1 1 1109 . 14 1 1 A 97 97 HIS CA C 103 53.809 55.511 -1.702 1 1 1110 . 14 1 1 A 97 97 HIS CB C 103 30.329 30.458 -0.129 1 1 1111 . 14 1 1 A 97 97 HIS N N 103 118.385 114.510 3.875 1 1 1112 . 14 1 1 A 98 98 SER H H 104 7.241 7.809 -0.568 1 1 1113 . 14 1 1 A 98 98 SER HA H 104 4.406 5.077 -0.671 1 1 1116 . 14 1 1 A 98 98 SER CA C 104 56.712 57.093 -0.381 1 1 1117 . 14 1 1 A 98 98 SER CB C 104 65.461 66.513 -1.052 1 1 1118 . 14 1 1 A 98 98 SER N N 104 112.298 111.941 0.357 1 1 1119 . 14 1 1 A 99 99 ALA H H 105 8.418 8.767 -0.349 1 1 1120 . 14 1 1 A 99 99 ALA HA H 105 4.753 5.236 -0.483 1 1 1124 . 14 1 1 A 99 99 ALA C C 105 173.181 175.928 -2.747 1 1 1125 . 14 1 1 A 99 99 ALA CA C 105 51.363 51.547 -0.184 1 1 1126 . 14 1 1 A 99 99 ALA CB C 105 22.271 23.423 -1.152 1 1 1127 . 14 1 1 A 99 99 ALA N N 105 116.790 121.886 -5.096 1 1 1128 . 14 1 1 A 100 100 LEU H H 106 8.376 8.723 -0.347 1 1 1129 . 14 1 1 A 100 100 LEU HA H 106 5.549 5.254 0.295 1 1 1139 . 14 1 1 A 100 100 LEU C C 106 175.338 175.063 0.275 1 1 1140 . 14 1 1 A 100 100 LEU CA C 106 53.753 53.711 0.042 1 1 1141 . 14 1 1 A 100 100 LEU CB C 106 46.393 46.125 0.268 1 1 1145 . 14 1 1 A 100 100 LEU N N 106 115.214 117.266 -2.052 1 1 1146 . 14 1 1 A 101 101 THR H H 107 8.685 8.795 -0.110 1 1 1147 . 14 1 1 A 101 101 THR HA H 107 5.287 4.948 0.339 1 1 1152 . 14 1 1 A 101 101 THR C C 107 172.493 173.551 -1.058 1 1 1153 . 14 1 1 A 101 101 THR CA C 107 57.069 60.331 -3.262 1 1 1154 . 14 1 1 A 101 101 THR CB C 107 71.308 71.443 -0.135 1 1 1156 . 14 1 1 A 101 101 THR N N 107 109.441 116.264 -6.823 1 1 1157 . 14 1 1 A 102 102 ALA H H 108 8.459 8.759 -0.300 1 1 1158 . 14 1 1 A 102 102 ALA HA H 108 4.366 5.220 -0.854 1 1 1162 . 14 1 1 A 102 102 ALA C C 108 173.439 175.386 -1.947 1 1 1163 . 14 1 1 A 102 102 ALA CA C 108 51.015 50.068 0.947 1 1 1164 . 14 1 1 A 102 102 ALA CB C 108 23.424 23.207 0.217 1 1 1165 . 14 1 1 A 102 102 ALA N N 108 120.716 127.228 -6.512 1 1 1166 . 14 1 1 A 103 103 PHE H H 109 8.510 9.280 -0.770 1 1 1167 . 14 1 1 A 103 103 PHE HA H 109 4.715 5.322 -0.607 1 1 1175 . 14 1 1 A 103 103 PHE C C 109 174.173 175.376 -1.203 1 1 1176 . 14 1 1 A 103 103 PHE CA C 109 56.640 56.676 -0.036 1 1 1177 . 14 1 1 A 103 103 PHE CB C 109 41.926 41.908 0.018 1 1 1178 . 14 1 1 A 103 103 PHE N N 109 115.041 120.402 -5.361 1 1 1179 . 14 1 1 A 104 104 GLN H H 110 9.832 8.825 1.007 1 1 1180 . 14 1 1 A 104 104 GLN HA H 110 5.226 5.212 0.014 1 1 1187 . 14 1 1 A 104 104 GLN C C 110 175.186 174.460 0.726 1 1 1188 . 14 1 1 A 104 104 GLN CA C 110 53.213 54.929 -1.716 1 1 1189 . 14 1 1 A 104 104 GLN CB C 110 29.161 30.685 -1.524 1 1 1191 . 14 1 1 A 104 104 GLN N N 110 124.526 120.509 4.017 1 1 1193 . 14 1 1 A 105 105 THR H H 111 9.566 9.090 0.476 1 1 1194 . 14 1 1 A 105 105 THR HA H 111 4.186 5.036 -0.850 1 1 1199 . 14 1 1 A 105 105 THR C C 111 174.538 173.605 0.933 1 1 1200 . 14 1 1 A 105 105 THR CA C 111 66.408 60.680 5.728 1 1 1201 . 14 1 1 A 105 105 THR CB C 111 69.385 71.075 -1.690 1 1 1203 . 14 1 1 A 105 105 THR N N 111 126.760 120.104 6.656 1 1 1204 . 14 1 1 A 106 106 GLU H H 112 9.303 9.036 0.267 1 1 1205 . 14 1 1 A 106 106 GLU HA H 112 4.811 4.654 0.157 1 1 1210 . 14 1 1 A 106 106 GLU C C 112 177.397 176.592 0.805 1 1 1211 . 14 1 1 A 106 106 GLU CA C 112 56.227 57.563 -1.336 1 1 1212 . 14 1 1 A 106 106 GLU CB C 112 31.283 31.609 -0.326 1 1 1214 . 14 1 1 A 106 106 GLU N N 112 121.685 124.733 -3.048 1 1 1215 . 14 1 1 A 107 107 GLN H H 113 7.954 7.970 -0.016 1 1 1216 . 14 1 1 A 107 107 GLN HA H 113 5.233 5.181 0.052 1 1 1221 . 14 1 1 A 107 107 GLN C C 113 173.999 173.986 0.013 1 1 1222 . 14 1 1 A 107 107 GLN CA C 113 53.837 54.371 -0.534 1 1 1223 . 14 1 1 A 107 107 GLN CB C 113 32.543 31.963 0.580 1 1 1225 . 14 1 1 A 107 107 GLN N N 113 117.612 113.784 3.828 1 1 1226 . 14 1 1 A 108 108 ILE H H 114 8.969 8.734 0.235 1 1 1227 . 14 1 1 A 108 108 ILE HA H 114 4.907 4.858 0.049 1 1 1237 . 14 1 1 A 108 108 ILE C C 114 174.089 174.266 -0.177 1 1 1238 . 14 1 1 A 108 108 ILE CA C 114 58.954 58.653 0.301 1 1 1239 . 14 1 1 A 108 108 ILE CB C 114 42.799 42.201 0.598 1 1 1243 . 14 1 1 A 108 108 ILE N N 114 115.049 118.844 -3.795 1 1 1244 . 14 1 1 A 109 109 GLN H H 115 7.421 8.550 -1.129 1 1 1245 . 14 1 1 A 109 109 GLN HA H 115 4.405 4.618 -0.213 1 1 1252 . 14 1 1 A 109 109 GLN C C 115 175.654 174.693 0.961 1 1 1253 . 14 1 1 A 109 109 GLN CA C 115 56.086 55.550 0.536 1 1 1254 . 14 1 1 A 109 109 GLN CB C 115 28.483 29.938 -1.455 1 1 1256 . 14 1 1 A 109 109 GLN N N 115 121.959 123.654 -1.695 1 1 1258 . 14 1 1 A 110 110 ASP H H 116 8.569 8.542 0.027 1 1 1259 . 14 1 1 A 110 110 ASP HA H 116 4.377 5.221 -0.844 1 1 1262 . 14 1 1 A 110 110 ASP C C 116 176.662 176.038 0.624 1 1 1263 . 14 1 1 A 110 110 ASP CA C 116 53.511 52.976 0.535 1 1 1264 . 14 1 1 A 110 110 ASP CB C 116 41.187 44.704 -3.517 1 1 1265 . 14 1 1 A 110 110 ASP N N 116 125.621 123.954 1.667 1 1 1266 . 14 1 1 A 111 111 SER H H 117 8.445 8.732 -0.287 1 1 1267 . 14 1 1 A 111 111 SER HA H 117 4.024 4.460 -0.436 1 1 1270 . 14 1 1 A 111 111 SER C C 117 174.783 176.375 -1.592 1 1 1271 . 14 1 1 A 111 111 SER CA C 117 60.782 59.931 0.851 1 1 1272 . 14 1 1 A 111 111 SER CB C 117 62.560 63.464 -0.904 1 1 1273 . 14 1 1 A 111 111 SER N N 117 120.732 118.935 1.797 1 1 1274 . 14 1 1 A 112 112 GLU H H 118 8.246 8.828 -0.582 1 1 1275 . 14 1 1 A 112 112 GLU HA H 118 4.044 4.202 -0.158 1 1 1280 . 14 1 1 A 112 112 GLU C C 118 175.899 176.925 -1.026 1 1 1281 . 14 1 1 A 112 112 GLU CA C 118 56.016 58.583 -2.567 1 1 1282 . 14 1 1 A 112 112 GLU CB C 118 29.853 28.643 1.210 1 1 1284 . 14 1 1 A 112 112 GLU N N 118 119.367 118.414 0.953 1 1 1285 . 14 1 1 A 113 113 HIS H H 119 7.418 7.898 -0.480 1 1 1286 . 14 1 1 A 113 113 HIS HA H 119 4.607 4.742 -0.135 1 1 1291 . 14 1 1 A 113 113 HIS C C 119 173.527 175.012 -1.485 1 1 1292 . 14 1 1 A 113 113 HIS CA C 119 54.515 54.889 -0.374 1 1 1293 . 14 1 1 A 113 113 HIS CB C 119 28.667 30.331 -1.664 1 1 1294 . 14 1 1 A 113 113 HIS N N 119 117.287 119.370 -2.083 1 1 1295 . 14 1 1 A 114 114 SER H H 120 8.398 8.293 0.105 1 1 1296 . 14 1 1 A 114 114 SER HA H 120 4.183 4.062 0.121 1 1 1299 . 14 1 1 A 114 114 SER C C 120 175.690 174.459 1.231 1 1 1300 . 14 1 1 A 114 114 SER CA C 120 59.149 59.226 -0.077 1 1 1301 . 14 1 1 A 114 114 SER CB C 120 62.820 62.357 0.463 1 1 1302 . 14 1 1 A 114 114 SER N N 120 116.771 115.464 1.307 1 1 1303 . 14 1 1 A 115 115 GLY H H 121 8.733 7.776 0.957 1 1 1304 . 14 1 1 A 115 115 GLY HA2 H 121 4.052 4.084 -0.032 1 1 1305 . 14 1 1 A 115 115 GLY HA3 H 121 3.724 4.094 -0.370 1 1 1306 . 14 1 1 A 115 115 GLY C C 121 173.540 173.812 -0.272 1 1 1307 . 14 1 1 A 115 115 GLY CA C 121 44.692 45.419 -0.727 1 1 1308 . 14 1 1 A 115 115 GLY N N 121 112.197 105.893 6.304 1 1 1309 . 14 1 1 A 116 116 LYS H H 122 7.796 7.424 0.372 1 1 1310 . 14 1 1 A 116 116 LYS HA H 122 4.465 4.800 -0.335 1 1 1317 . 14 1 1 A 116 116 LYS C C 122 175.090 174.984 0.106 1 1 1318 . 14 1 1 A 116 116 LYS CA C 122 55.122 54.468 0.654 1 1 1319 . 14 1 1 A 116 116 LYS CB C 122 33.861 35.795 -1.934 1 1 1322 . 14 1 1 A 116 116 LYS N N 122 120.212 119.428 0.784 1 1 1323 . 14 1 1 A 117 117 MET H H 123 8.348 8.768 -0.420 1 1 1324 . 14 1 1 A 117 117 MET HA H 123 5.082 5.216 -0.134 1 1 1332 . 14 1 1 A 117 117 MET C C 123 176.210 174.058 2.152 1 1 1333 . 14 1 1 A 117 117 MET CA C 123 52.928 53.475 -0.547 1 1 1334 . 14 1 1 A 117 117 MET CB C 123 33.841 35.736 -1.895 1 1 1337 . 14 1 1 A 117 117 MET N N 123 119.755 116.993 2.762 1 1 1338 . 14 1 1 A 118 118 VAL H H 124 9.242 8.826 0.416 1 1 1339 . 14 1 1 A 118 118 VAL HA H 124 4.469 4.707 -0.238 1 1 1347 . 14 1 1 A 118 118 VAL C C 124 173.967 174.824 -0.857 1 1 1348 . 14 1 1 A 118 118 VAL CA C 124 59.056 60.554 -1.498 1 1 1349 . 14 1 1 A 118 118 VAL CB C 124 34.376 35.964 -1.588 1 1 1351 . 14 1 1 A 118 118 VAL N N 124 118.546 119.926 -1.380 1 1 1352 . 14 1 1 A 119 119 ALA H H 125 8.327 8.574 -0.247 1 1 1353 . 14 1 1 A 119 119 ALA HA H 125 4.624 4.427 0.197 1 1 1357 . 14 1 1 A 119 119 ALA C C 125 177.165 177.078 0.087 1 1 1358 . 14 1 1 A 119 119 ALA CA C 125 52.043 51.467 0.576 1 1 1359 . 14 1 1 A 119 119 ALA CB C 125 18.232 17.439 0.793 1 1 1360 . 14 1 1 A 119 119 ALA N N 125 125.947 129.334 -3.387 1 1 1361 . 14 1 1 A 120 120 LYS H H 126 7.604 7.516 0.088 1 1 1362 . 14 1 1 A 120 120 LYS HA H 126 4.046 4.417 -0.371 1 1 1371 . 14 1 1 A 120 120 LYS C C 126 172.631 175.342 -2.711 1 1 1372 . 14 1 1 A 120 120 LYS CA C 126 56.023 55.968 0.055 1 1 1373 . 14 1 1 A 120 120 LYS CB C 126 34.482 31.319 3.163 1 1 1377 . 14 1 1 A 120 120 LYS N N 126 126.149 119.348 6.801 1 1 1378 . 14 1 1 A 121 121 ARG H H 127 8.308 8.764 -0.456 1 1 1379 . 14 1 1 A 121 121 ARG HA H 127 4.901 4.652 0.249 1 1 1384 . 14 1 1 A 121 121 ARG C C 127 176.253 175.125 1.128 1 1 1385 . 14 1 1 A 121 121 ARG CA C 127 55.564 55.160 0.404 1 1 1386 . 14 1 1 A 121 121 ARG CB C 127 28.273 28.426 -0.153 1 1 1388 . 14 1 1 A 121 121 ARG N N 127 122.760 124.965 -2.205 1 1 1389 . 14 1 1 A 122 122 GLN H H 128 7.529 8.137 -0.608 1 1 1390 . 14 1 1 A 122 122 GLN HA H 128 4.541 4.874 -0.333 1 1 1397 . 14 1 1 A 122 122 GLN C C 128 172.163 175.222 -3.059 1 1 1398 . 14 1 1 A 122 122 GLN CA C 128 54.218 54.727 -0.509 1 1 1399 . 14 1 1 A 122 122 GLN CB C 128 32.064 30.071 1.993 1 1 1401 . 14 1 1 A 122 122 GLN N N 128 121.022 124.286 -3.264 1 1 1403 . 14 1 1 A 123 123 PHE H H 129 8.620 9.289 -0.669 1 1 1404 . 14 1 1 A 123 123 PHE HA H 129 6.040 5.890 0.150 1 1 1411 . 14 1 1 A 123 123 PHE C C 129 174.530 174.766 -0.236 1 1 1412 . 14 1 1 A 123 123 PHE CA C 129 56.026 55.292 0.734 1 1 1413 . 14 1 1 A 123 123 PHE CB C 129 42.143 42.090 0.053 1 1 1414 . 14 1 1 A 123 123 PHE N N 129 125.540 123.542 1.998 1 1 1415 . 14 1 1 A 124 124 ARG H H 130 8.018 8.911 -0.893 1 1 1416 . 14 1 1 A 124 124 ARG HA H 130 4.366 4.858 -0.492 1 1 1423 . 14 1 1 A 124 124 ARG C C 130 172.139 174.008 -1.869 1 1 1424 . 14 1 1 A 124 124 ARG CA C 130 53.422 54.733 -1.311 1 1 1425 . 14 1 1 A 124 124 ARG CB C 130 32.310 33.878 -1.568 1 1 1428 . 14 1 1 A 124 124 ARG N N 130 125.264 117.861 7.403 1 1 1429 . 14 1 1 A 125 125 ILE H H 131 8.462 7.789 0.673 1 1 1430 . 14 1 1 A 125 125 ILE HA H 131 3.883 5.020 -1.137 1 1 1440 . 14 1 1 A 125 125 ILE C C 131 175.487 174.570 0.917 1 1 1441 . 14 1 1 A 125 125 ILE CA C 131 58.339 59.722 -1.383 1 1 1442 . 14 1 1 A 125 125 ILE CB C 131 35.673 41.834 -6.161 1 1 1446 . 14 1 1 A 125 125 ILE N N 131 121.887 120.584 1.303 1 1 1447 . 14 1 1 A 126 126 GLY H H 132 8.814 8.205 0.609 1 1 1448 . 14 1 1 A 126 126 GLY HA2 H 132 4.062 4.151 -0.089 1 1 1449 . 14 1 1 A 126 126 GLY HA3 H 132 4.062 4.154 -0.092 1 1 1450 . 14 1 1 A 126 126 GLY C C 132 171.583 174.181 -2.598 1 1 1451 . 14 1 1 A 126 126 GLY CA C 132 44.157 45.582 -1.425 1 1 1452 . 14 1 1 A 126 126 GLY N N 132 115.675 115.056 0.619 1 1 1453 . 14 1 1 A 127 127 ASP H H 133 7.914 7.537 0.377 1 1 1454 . 14 1 1 A 127 127 ASP HA H 133 4.584 4.705 -0.121 1 1 1457 . 14 1 1 A 127 127 ASP C C 133 174.132 174.988 -0.856 1 1 1458 . 14 1 1 A 127 127 ASP CA C 133 54.822 53.626 1.196 1 1 1459 . 14 1 1 A 127 127 ASP CB C 133 45.407 41.505 3.902 1 1 1460 . 14 1 1 A 127 127 ASP N N 133 123.737 120.271 3.466 1 1 1461 . 14 1 1 A 128 128 ILE H H 134 8.258 9.080 -0.822 1 1 1462 . 14 1 1 A 128 128 ILE HA H 134 4.392 5.053 -0.661 1 1 1472 . 14 1 1 A 128 128 ILE C C 134 174.799 174.860 -0.061 1 1 1473 . 14 1 1 A 128 128 ILE CA C 134 61.596 60.008 1.588 1 1 1474 . 14 1 1 A 128 128 ILE CB C 134 37.549 40.576 -3.027 1 1 1478 . 14 1 1 A 128 128 ILE N N 134 119.105 125.373 -6.268 1 1 1479 . 14 1 1 A 129 129 ALA H H 135 8.607 8.866 -0.259 1 1 1480 . 14 1 1 A 129 129 ALA HA H 135 4.757 5.346 -0.589 1 1 1484 . 14 1 1 A 129 129 ALA C C 135 173.358 176.093 -2.735 1 1 1485 . 14 1 1 A 129 129 ALA CA C 135 50.608 51.230 -0.622 1 1 1486 . 14 1 1 A 129 129 ALA CB C 135 23.348 23.881 -0.533 1 1 1487 . 14 1 1 A 129 129 ALA N N 135 129.336 128.218 1.118 1 1 1488 . 14 1 1 A 130 130 GLY H H 136 7.514 8.171 -0.657 1 1 1489 . 14 1 1 A 130 130 GLY HA2 H 136 3.551 2.580 0.971 1 1 1490 . 14 1 1 A 130 130 GLY HA3 H 136 4.422 3.756 0.666 1 1 1491 . 14 1 1 A 130 130 GLY C C 136 172.609 171.134 1.475 1 1 1492 . 14 1 1 A 130 130 GLY CA C 136 44.315 45.223 -0.908 1 1 1493 . 14 1 1 A 130 130 GLY N N 136 101.232 106.146 -4.914 1 1 1494 . 14 1 1 A 131 131 GLU H H 137 8.225 8.020 0.205 1 1 1495 . 14 1 1 A 131 131 GLU HA H 137 4.540 4.566 -0.026 1 1 1500 . 14 1 1 A 131 131 GLU C C 137 174.864 175.898 -1.034 1 1 1501 . 14 1 1 A 131 131 GLU CA C 137 53.120 56.073 -2.953 1 1 1502 . 14 1 1 A 131 131 GLU CB C 137 28.254 30.220 -1.966 1 1 1504 . 14 1 1 A 131 131 GLU N N 137 121.002 119.694 1.308 1 1 1505 . 14 1 1 A 132 132 HIS H H 138 8.054 8.923 -0.869 1 1 1506 . 14 1 1 A 132 132 HIS HA H 138 4.771 5.110 -0.339 1 1 1511 . 14 1 1 A 132 132 HIS C C 138 175.411 175.450 -0.039 1 1 1512 . 14 1 1 A 132 132 HIS CA C 138 57.942 56.720 1.222 1 1 1513 . 14 1 1 A 132 132 HIS CB C 138 27.710 30.612 -2.902 1 1 1514 . 14 1 1 A 132 132 HIS N N 138 124.204 124.774 -0.570 1 1 1515 . 14 1 1 A 133 133 THR H H 139 9.056 8.975 0.081 1 1 1516 . 14 1 1 A 133 133 THR HA H 139 3.864 5.097 -1.233 1 1 1521 . 14 1 1 A 133 133 THR C C 139 174.178 173.337 0.841 1 1 1522 . 14 1 1 A 133 133 THR CA C 139 63.225 59.810 3.415 1 1 1523 . 14 1 1 A 133 133 THR CB C 139 68.127 72.042 -3.915 1 1 1525 . 14 1 1 A 133 133 THR N N 139 125.345 115.072 10.273 1 1 1526 . 14 1 1 A 134 134 SER H H 140 8.834 8.973 -0.139 1 1 1527 . 14 1 1 A 134 134 SER HA H 140 4.560 4.599 -0.039 1 1 1530 . 14 1 1 A 134 134 SER C C 140 176.713 176.077 0.636 1 1 1531 . 14 1 1 A 134 134 SER CA C 140 57.961 59.654 -1.693 1 1 1532 . 14 1 1 A 134 134 SER CB C 140 63.030 63.624 -0.594 1 1 1533 . 14 1 1 A 134 134 SER N N 140 121.791 119.692 2.099 1 1 1534 . 14 1 1 A 135 135 PHE H H 141 9.597 8.840 0.757 1 1 1535 . 14 1 1 A 135 135 PHE HA H 141 3.953 4.473 -0.520 1 1 1542 . 14 1 1 A 135 135 PHE C C 141 175.375 177.134 -1.759 1 1 1543 . 14 1 1 A 135 135 PHE CA C 141 61.339 59.445 1.894 1 1 1544 . 14 1 1 A 135 135 PHE CB C 141 39.394 38.550 0.844 1 1 1545 . 14 1 1 A 135 135 PHE N N 141 128.822 122.333 6.489 1 1 1546 . 14 1 1 A 136 136 ASP H H 142 8.017 7.630 0.387 1 1 1547 . 14 1 1 A 136 136 ASP HA H 142 4.352 4.367 -0.015 1 1 1550 . 14 1 1 A 136 136 ASP C C 142 175.358 176.747 -1.389 1 1 1551 . 14 1 1 A 136 136 ASP CA C 142 55.223 55.533 -0.310 1 1 1552 . 14 1 1 A 136 136 ASP CB C 142 40.968 39.730 1.238 1 1 1553 . 14 1 1 A 136 136 ASP N N 142 113.108 120.422 -7.314 1 1 1554 . 14 1 1 A 137 137 LYS H H 143 7.340 7.717 -0.377 1 1 1555 . 14 1 1 A 137 137 LYS HA H 143 4.439 4.447 -0.008 1 1 1564 . 14 1 1 A 137 137 LYS C C 143 175.571 175.919 -0.348 1 1 1565 . 14 1 1 A 137 137 LYS CA C 143 54.096 55.740 -1.644 1 1 1566 . 14 1 1 A 137 137 LYS CB C 143 32.545 34.183 -1.638 1 1 1570 . 14 1 1 A 137 137 LYS N N 143 117.716 118.530 -0.814 1 1 1571 . 14 1 1 A 138 138 LEU H H 144 6.698 7.762 -1.064 1 1 1572 . 14 1 1 A 138 138 LEU HA H 144 3.903 4.627 -0.724 1 1 1582 . 14 1 1 A 138 138 LEU C C 144 174.123 174.927 -0.804 1 1 1583 . 14 1 1 A 138 138 LEU CA C 144 52.843 52.143 0.700 1 1 1584 . 14 1 1 A 138 138 LEU CB C 144 40.993 42.754 -1.761 1 1 1588 . 14 1 1 A 138 138 LEU N N 144 120.536 119.483 1.053 1 1 1589 . 14 1 1 A 139 139 PRO HA H 145 4.040 4.731 -0.691 1 1 1596 . 14 1 1 A 139 139 PRO C C 145 172.700 176.163 -3.463 1 1 1597 . 14 1 1 A 139 139 PRO CA C 145 62.654 62.461 0.193 1 1 1598 . 14 1 1 A 139 139 PRO CB C 145 30.086 32.736 -2.650 1 1 1601 . 14 1 1 A 140 140 GLU H H 146 8.343 8.650 -0.307 1 1 1602 . 14 1 1 A 140 140 GLU HA H 146 3.970 4.767 -0.797 1 1 1607 . 14 1 1 A 140 140 GLU C C 146 176.009 177.101 -1.092 1 1 1608 . 14 1 1 A 140 140 GLU CA C 146 56.119 55.381 0.738 1 1 1609 . 14 1 1 A 140 140 GLU CB C 146 30.086 30.414 -0.328 1 1 1611 . 14 1 1 A 140 140 GLU N N 146 119.063 120.732 -1.669 1 1 1612 . 14 1 1 A 141 141 GLY H H 147 7.241 8.446 -1.205 1 1 1613 . 14 1 1 A 141 141 GLY HA2 H 147 3.918 4.130 -0.212 1 1 1614 . 14 1 1 A 141 141 GLY HA3 H 147 3.814 4.153 -0.339 1 1 1615 . 14 1 1 A 141 141 GLY C C 147 171.657 173.699 -2.042 1 1 1616 . 14 1 1 A 141 141 GLY CA C 147 43.929 45.596 -1.667 1 1 1617 . 14 1 1 A 141 141 GLY N N 147 104.270 111.478 -7.208 1 1 1618 . 14 1 1 A 142 142 GLY H H 148 8.241 7.698 0.543 1 1 1619 . 14 1 1 A 142 142 GLY HA2 H 148 3.710 4.177 -0.467 1 1 1620 . 14 1 1 A 142 142 GLY HA3 H 148 4.350 4.188 0.162 1 1 1621 . 14 1 1 A 142 142 GLY C C 148 171.767 171.875 -0.108 1 1 1622 . 14 1 1 A 142 142 GLY CA C 148 43.649 46.240 -2.591 1 1 1623 . 14 1 1 A 142 142 GLY N N 148 106.996 107.910 -0.914 1 1 1624 . 14 1 1 A 143 143 ARG H H 149 8.214 8.732 -0.518 1 1 1625 . 14 1 1 A 143 143 ARG HA H 149 5.376 5.478 -0.102 1 1 1632 . 14 1 1 A 143 143 ARG C C 149 174.981 174.370 0.611 1 1 1633 . 14 1 1 A 143 143 ARG CA C 149 54.235 53.898 0.337 1 1 1634 . 14 1 1 A 143 143 ARG CB C 149 32.988 34.842 -1.854 1 1 1637 . 14 1 1 A 143 143 ARG N N 149 117.762 119.324 -1.562 1 1 1638 . 14 1 1 A 144 144 ALA H H 150 9.030 8.430 0.600 1 1 1639 . 14 1 1 A 144 144 ALA HA H 150 4.730 5.111 -0.381 1 1 1643 . 14 1 1 A 144 144 ALA C C 150 175.012 175.897 -0.885 1 1 1644 . 14 1 1 A 144 144 ALA CA C 150 50.732 51.189 -0.457 1 1 1645 . 14 1 1 A 144 144 ALA CB C 150 23.448 22.847 0.601 1 1 1646 . 14 1 1 A 144 144 ALA N N 150 126.630 121.577 5.053 1 1 1647 . 14 1 1 A 145 145 THR H H 151 8.560 8.527 0.033 1 1 1648 . 14 1 1 A 145 145 THR HA H 151 4.846 4.701 0.145 1 1 1653 . 14 1 1 A 145 145 THR C C 151 171.870 173.002 -1.132 1 1 1654 . 14 1 1 A 145 145 THR CA C 151 61.997 62.202 -0.205 1 1 1655 . 14 1 1 A 145 145 THR CB C 151 69.746 70.108 -0.362 1 1 1657 . 14 1 1 A 145 145 THR N N 151 117.942 118.116 -0.174 1 1 1658 . 14 1 1 A 146 146 TYR H H 152 10.008 8.813 1.195 1 1 1659 . 14 1 1 A 146 146 TYR HA H 152 4.580 5.137 -0.557 1 1 1666 . 14 1 1 A 146 146 TYR C C 152 174.627 174.406 0.221 1 1 1667 . 14 1 1 A 146 146 TYR CA C 152 55.835 56.306 -0.471 1 1 1668 . 14 1 1 A 146 146 TYR CB C 152 40.094 43.297 -3.203 1 1 1669 . 14 1 1 A 146 146 TYR N N 152 126.097 123.659 2.438 1 1 1670 . 14 1 1 A 147 147 ARG H H 153 8.860 8.815 0.045 1 1 1671 . 14 1 1 A 147 147 ARG HA H 153 5.404 5.346 0.058 1 1 1678 . 14 1 1 A 147 147 ARG C C 153 177.446 175.338 2.108 1 1 1679 . 14 1 1 A 147 147 ARG CA C 153 54.024 54.588 -0.564 1 1 1680 . 14 1 1 A 147 147 ARG CB C 153 33.539 33.802 -0.263 1 1 1683 . 14 1 1 A 147 147 ARG N N 153 121.042 122.603 -1.561 1 1 1684 . 14 1 1 A 148 148 GLY H H 154 8.916 8.801 0.115 1 1 1685 . 14 1 1 A 148 148 GLY HA2 H 154 4.816 4.443 0.373 1 1 1686 . 14 1 1 A 148 148 GLY HA3 H 154 4.422 4.458 -0.036 1 1 1687 . 14 1 1 A 148 148 GLY C C 154 173.831 171.915 1.916 1 1 1688 . 14 1 1 A 148 148 GLY CA C 154 46.752 44.694 2.058 1 1 1689 . 14 1 1 A 148 148 GLY N N 154 114.154 112.123 2.031 1 1 1690 . 14 1 1 A 149 149 THR H H 155 9.063 8.715 0.348 1 1 1691 . 14 1 1 A 149 149 THR HA H 155 4.711 5.010 -0.299 1 1 1696 . 14 1 1 A 149 149 THR C C 155 170.370 173.751 -3.381 1 1 1697 . 14 1 1 A 149 149 THR CA C 155 62.316 62.286 0.030 1 1 1698 . 14 1 1 A 149 149 THR CB C 155 72.596 70.566 2.030 1 1 1700 . 14 1 1 A 149 149 THR N N 155 126.410 115.918 10.492 1 1 1701 . 14 1 1 A 150 150 ALA H H 156 7.091 9.042 -1.951 1 1 1702 . 14 1 1 A 150 150 ALA HA H 156 5.289 5.464 -0.175 1 1 1706 . 14 1 1 A 150 150 ALA C C 156 173.965 176.287 -2.322 1 1 1707 . 14 1 1 A 150 150 ALA CA C 156 48.843 50.283 -1.440 1 1 1708 . 14 1 1 A 150 150 ALA CB C 156 22.573 21.068 1.505 1 1 1709 . 14 1 1 A 150 150 ALA N N 156 127.540 128.883 -1.343 1 1 1710 . 14 1 1 A 151 151 PHE H H 157 8.536 8.720 -0.184 1 1 1711 . 14 1 1 A 151 151 PHE HA H 157 5.442 5.657 -0.215 1 1 1718 . 14 1 1 A 151 151 PHE C C 157 171.891 174.445 -2.554 1 1 1719 . 14 1 1 A 151 151 PHE CA C 157 53.282 55.407 -2.125 1 1 1720 . 14 1 1 A 151 151 PHE CB C 157 41.020 41.390 -0.370 1 1 1721 . 14 1 1 A 151 151 PHE N N 157 117.013 119.436 -2.423 1 1 1722 . 14 1 1 A 152 152 GLY H H 158 8.548 9.113 -0.565 1 1 1723 . 14 1 1 A 152 152 GLY HA2 H 158 4.003 4.519 -0.516 1 1 1724 . 14 1 1 A 152 152 GLY HA3 H 158 3.124 4.546 -1.422 1 1 1725 . 14 1 1 A 152 152 GLY C C 158 173.148 173.747 -0.599 1 1 1726 . 14 1 1 A 152 152 GLY CA C 158 42.630 44.075 -1.445 1 1 1727 . 14 1 1 A 152 152 GLY N N 158 108.356 109.951 -1.595 1 1 1728 . 14 1 1 A 153 153 SER H H 159 7.610 8.794 -1.184 1 1 1729 . 14 1 1 A 153 153 SER HA H 159 3.421 4.500 -1.079 1 1 1732 . 14 1 1 A 153 153 SER C C 159 176.057 173.765 2.292 1 1 1733 . 14 1 1 A 153 153 SER CA C 159 58.787 57.470 1.317 1 1 1734 . 14 1 1 A 153 153 SER CB C 159 61.886 61.246 0.640 1 1 1735 . 14 1 1 A 153 153 SER N N 159 115.173 116.407 -1.234 1 1 1736 . 14 1 1 A 154 154 ASP H H 160 9.894 8.505 1.389 1 1 1737 . 14 1 1 A 154 154 ASP HA H 160 4.168 4.838 -0.670 1 1 1740 . 14 1 1 A 154 154 ASP C C 160 175.191 176.987 -1.796 1 1 1741 . 14 1 1 A 154 154 ASP CA C 160 55.398 55.651 -0.253 1 1 1742 . 14 1 1 A 154 154 ASP CB C 160 39.212 42.885 -3.673 1 1 1743 . 14 1 1 A 154 154 ASP N N 160 124.828 121.421 3.407 1 1 1744 . 14 1 1 A 155 155 ASP H H 161 7.520 8.102 -0.582 1 1 1745 . 14 1 1 A 155 155 ASP HA H 161 4.568 4.480 0.088 1 1 1748 . 14 1 1 A 155 155 ASP C C 161 172.658 175.843 -3.185 1 1 1749 . 14 1 1 A 155 155 ASP CA C 161 54.342 56.313 -1.971 1 1 1750 . 14 1 1 A 155 155 ASP CB C 161 40.619 41.476 -0.857 1 1 1751 . 14 1 1 A 155 155 ASP N N 161 116.749 119.647 -2.898 1 1 1752 . 14 1 1 A 156 156 ALA H H 162 8.544 7.948 0.596 1 1 1753 . 14 1 1 A 156 156 ALA HA H 162 4.916 4.123 0.793 1 1 1757 . 14 1 1 A 156 156 ALA C C 162 177.708 177.698 0.010 1 1 1758 . 14 1 1 A 156 156 ALA CA C 162 49.878 53.956 -4.078 1 1 1759 . 14 1 1 A 156 156 ALA CB C 162 17.473 18.195 -0.722 1 1 1760 . 14 1 1 A 156 156 ALA N N 162 128.246 120.369 7.877 1 1 1761 . 14 1 1 A 157 157 GLY H H 163 8.406 8.131 0.275 1 1 1762 . 14 1 1 A 157 157 GLY HA2 H 163 4.286 3.993 0.293 1 1 1763 . 14 1 1 A 157 157 GLY HA3 H 163 3.894 4.012 -0.118 1 1 1764 . 14 1 1 A 157 157 GLY C C 163 174.344 173.912 0.432 1 1 1765 . 14 1 1 A 157 157 GLY CA C 163 45.049 45.485 -0.436 1 1 1766 . 14 1 1 A 157 157 GLY N N 163 106.545 104.058 2.487 1 1 1767 . 14 1 1 A 158 158 GLY H H 164 7.128 7.852 -0.724 1 1 1768 . 14 1 1 A 158 158 GLY HA2 H 164 4.118 3.945 0.173 1 1 1769 . 14 1 1 A 158 158 GLY HA3 H 164 3.641 3.981 -0.340 1 1 1770 . 14 1 1 A 158 158 GLY C C 164 173.903 173.402 0.501 1 1 1771 . 14 1 1 A 158 158 GLY CA C 164 45.225 46.497 -1.272 1 1 1772 . 14 1 1 A 158 158 GLY N N 164 106.404 107.623 -1.219 1 1 1773 . 14 1 1 A 159 159 LYS H H 165 9.647 7.838 1.809 1 1 1774 . 14 1 1 A 159 159 LYS HA H 165 5.052 4.421 0.631 1 1 1781 . 14 1 1 A 159 159 LYS C C 165 174.390 176.536 -2.146 1 1 1782 . 14 1 1 A 159 159 LYS CA C 165 53.501 56.017 -2.516 1 1 1783 . 14 1 1 A 159 159 LYS CB C 165 34.622 33.447 1.175 1 1 1786 . 14 1 1 A 159 159 LYS N N 165 123.930 124.485 -0.555 1 1 1787 . 14 1 1 A 160 160 LEU H H 166 7.706 8.515 -0.809 1 1 1788 . 14 1 1 A 160 160 LEU HA H 166 4.873 5.318 -0.445 1 1 1798 . 14 1 1 A 160 160 LEU C C 166 174.825 175.381 -0.556 1 1 1799 . 14 1 1 A 160 160 LEU CA C 166 52.677 52.897 -0.220 1 1 1800 . 14 1 1 A 160 160 LEU CB C 166 44.629 45.887 -1.258 1 1 1804 . 14 1 1 A 160 160 LEU N N 166 126.271 118.475 7.796 1 1 1805 . 14 1 1 A 161 161 THR H H 167 8.374 8.920 -0.546 1 1 1806 . 14 1 1 A 161 161 THR HA H 167 4.949 4.804 0.145 1 1 1811 . 14 1 1 A 161 161 THR C C 167 172.102 172.771 -0.669 1 1 1812 . 14 1 1 A 161 161 THR CA C 167 61.761 61.841 -0.080 1 1 1813 . 14 1 1 A 161 161 THR CB C 167 70.169 69.239 0.930 1 1 1815 . 14 1 1 A 161 161 THR N N 167 122.977 117.340 5.637 1 1 1816 . 14 1 1 A 162 162 TYR H H 168 9.174 8.881 0.293 1 1 1817 . 14 1 1 A 162 162 TYR HA H 168 4.766 5.189 -0.423 1 1 1824 . 14 1 1 A 162 162 TYR C C 168 172.249 174.757 -2.508 1 1 1825 . 14 1 1 A 162 162 TYR CA C 168 58.162 56.906 1.256 1 1 1826 . 14 1 1 A 162 162 TYR CB C 168 43.746 41.789 1.957 1 1 1827 . 14 1 1 A 162 162 TYR N N 168 128.112 128.576 -0.464 1 1 1828 . 14 1 1 A 163 163 THR H H 169 8.711 8.347 0.364 1 1 1829 . 14 1 1 A 163 163 THR HA H 169 5.402 5.188 0.214 1 1 1834 . 14 1 1 A 163 163 THR C C 169 172.520 171.507 1.013 1 1 1835 . 14 1 1 A 163 163 THR CA C 169 60.804 60.002 0.802 1 1 1836 . 14 1 1 A 163 163 THR CB C 169 70.818 71.830 -1.012 1 1 1838 . 14 1 1 A 163 163 THR N N 169 124.549 120.726 3.823 1 1 1839 . 14 1 1 A 164 164 ILE H H 170 8.927 9.312 -0.385 1 1 1840 . 14 1 1 A 164 164 ILE HA H 170 4.313 4.944 -0.631 1 1 1850 . 14 1 1 A 164 164 ILE C C 170 173.105 173.033 0.072 1 1 1851 . 14 1 1 A 164 164 ILE CA C 170 60.595 59.202 1.393 1 1 1852 . 14 1 1 A 164 164 ILE CB C 170 41.274 41.102 0.172 1 1 1856 . 14 1 1 A 164 164 ILE N N 170 123.685 127.992 -4.307 1 1 1857 . 14 1 1 A 165 165 ASP H H 171 8.372 8.655 -0.283 1 1 1858 . 14 1 1 A 165 165 ASP HA H 171 4.750 4.987 -0.237 1 1 1861 . 14 1 1 A 165 165 ASP C C 171 177.213 176.044 1.169 1 1 1862 . 14 1 1 A 165 165 ASP CA C 171 51.669 52.597 -0.928 1 1 1863 . 14 1 1 A 165 165 ASP CB C 171 41.730 40.914 0.816 1 1 1864 . 14 1 1 A 165 165 ASP N N 171 125.168 127.867 -2.699 1 1 1865 . 14 1 1 A 166 166 PHE H H 172 8.968 8.154 0.814 1 1 1866 . 14 1 1 A 166 166 PHE HA H 172 3.879 4.240 -0.361 1 1 1874 . 14 1 1 A 166 166 PHE C C 172 176.940 178.026 -1.086 1 1 1875 . 14 1 1 A 166 166 PHE CA C 172 61.543 60.786 0.757 1 1 1876 . 14 1 1 A 166 166 PHE CB C 172 37.424 39.040 -1.616 1 1 1877 . 14 1 1 A 166 166 PHE N N 172 123.597 121.721 1.876 1 1 1878 . 14 1 1 A 167 167 ALA H H 173 8.266 7.956 0.310 1 1 1879 . 14 1 1 A 167 167 ALA HA H 173 4.322 4.234 0.088 1 1 1883 . 14 1 1 A 167 167 ALA C C 173 178.888 177.840 1.048 1 1 1884 . 14 1 1 A 167 167 ALA CA C 173 54.458 53.921 0.537 1 1 1885 . 14 1 1 A 167 167 ALA CB C 173 17.591 18.504 -0.913 1 1 1886 . 14 1 1 A 167 167 ALA N N 173 122.113 121.396 0.717 1 1 1887 . 14 1 1 A 168 168 ALA H H 174 7.405 7.751 -0.346 1 1 1888 . 14 1 1 A 168 168 ALA HA H 174 4.096 4.476 -0.380 1 1 1892 . 14 1 1 A 168 168 ALA C C 174 176.605 176.838 -0.233 1 1 1893 . 14 1 1 A 168 168 ALA CA C 174 51.225 51.260 -0.035 1 1 1894 . 14 1 1 A 168 168 ALA CB C 174 18.307 20.534 -2.227 1 1 1895 . 14 1 1 A 168 168 ALA N N 174 118.760 120.259 -1.499 1 1 1896 . 14 1 1 A 169 169 LYS H H 175 7.906 7.725 0.181 1 1 1897 . 14 1 1 A 169 169 LYS HA H 175 3.391 3.766 -0.375 1 1 1904 . 14 1 1 A 169 169 LYS C C 175 174.608 174.681 -0.073 1 1 1905 . 14 1 1 A 169 169 LYS CA C 175 57.049 57.276 -0.227 1 1 1906 . 14 1 1 A 169 169 LYS CB C 175 30.051 29.419 0.632 1 1 1909 . 14 1 1 A 169 169 LYS N N 175 114.394 115.263 -0.869 1 1 1910 . 14 1 1 A 170 170 GLN H H 176 7.629 7.227 0.402 1 1 1911 . 14 1 1 A 170 170 GLN HA H 176 5.414 4.981 0.433 1 1 1918 . 14 1 1 A 170 170 GLN C C 176 174.325 174.639 -0.314 1 1 1919 . 14 1 1 A 170 170 GLN CA C 176 54.393 54.140 0.253 1 1 1920 . 14 1 1 A 170 170 GLN CB C 176 34.771 30.854 3.917 1 1 1922 . 14 1 1 A 170 170 GLN N N 176 116.433 116.353 0.080 1 1 1924 . 14 1 1 A 171 171 GLY H H 177 8.854 9.146 -0.292 1 1 1925 . 14 1 1 A 171 171 GLY HA2 H 177 5.205 4.008 1.197 1 1 1926 . 14 1 1 A 171 171 GLY HA3 H 177 3.526 4.218 -0.692 1 1 1927 . 14 1 1 A 171 171 GLY C C 177 170.842 172.035 -1.193 1 1 1928 . 14 1 1 A 171 171 GLY CA C 177 44.621 44.664 -0.043 1 1 1929 . 14 1 1 A 171 171 GLY N N 177 110.189 111.674 -1.485 1 1 1930 . 14 1 1 A 172 172 ASN H H 178 7.637 8.751 -1.114 1 1 1931 . 14 1 1 A 172 172 ASN HA H 178 4.224 5.373 -1.149 1 1 1936 . 14 1 1 A 172 172 ASN C C 178 171.546 173.779 -2.233 1 1 1937 . 14 1 1 A 172 172 ASN CA C 178 53.729 51.188 2.541 1 1 1938 . 14 1 1 A 172 172 ASN CB C 178 41.543 42.146 -0.603 1 1 1939 . 14 1 1 A 172 172 ASN N N 178 112.667 122.288 -9.621 1 1 1941 . 14 1 1 A 173 173 GLY H H 179 9.103 8.335 0.768 1 1 1942 . 14 1 1 A 173 173 GLY HA2 H 179 4.491 4.222 0.269 1 1 1943 . 14 1 1 A 173 173 GLY HA3 H 179 4.084 4.257 -0.173 1 1 1944 . 14 1 1 A 173 173 GLY C C 179 172.400 171.450 0.950 1 1 1945 . 14 1 1 A 173 173 GLY CA C 179 47.199 45.880 1.319 1 1 1946 . 14 1 1 A 173 173 GLY N N 179 106.686 108.157 -1.471 1 1 1947 . 14 1 1 A 174 174 LYS H H 180 9.179 8.782 0.397 1 1 1948 . 14 1 1 A 174 174 LYS HA H 180 4.821 5.008 -0.187 1 1 1957 . 14 1 1 A 174 174 LYS C C 180 172.518 174.640 -2.122 1 1 1958 . 14 1 1 A 174 174 LYS CA C 180 56.617 55.194 1.423 1 1 1959 . 14 1 1 A 174 174 LYS CB C 180 35.373 35.574 -0.201 1 1 1963 . 14 1 1 A 174 174 LYS N N 180 121.816 116.567 5.249 1 1 1964 . 14 1 1 A 175 175 ILE H H 181 8.351 8.611 -0.260 1 1 1965 . 14 1 1 A 175 175 ILE HA H 181 4.581 4.729 -0.148 1 1 1973 . 14 1 1 A 175 175 ILE C C 181 173.997 175.560 -1.563 1 1 1974 . 14 1 1 A 175 175 ILE CA C 181 60.490 59.746 0.744 1 1 1975 . 14 1 1 A 175 175 ILE CB C 181 39.573 38.447 1.126 1 1 1978 . 14 1 1 A 175 175 ILE N N 181 123.400 122.499 0.901 1 1 1979 . 14 1 1 A 176 176 GLU H H 182 8.492 8.450 0.042 1 1 1980 . 14 1 1 A 176 176 GLU HA H 182 4.471 4.826 -0.355 1 1 1985 . 14 1 1 A 176 176 GLU C C 182 175.392 175.661 -0.269 1 1 1986 . 14 1 1 A 176 176 GLU CA C 182 53.410 56.449 -3.039 1 1 1987 . 14 1 1 A 176 176 GLU CB C 182 35.479 32.100 3.379 1 1 1989 . 14 1 1 A 176 176 GLU N N 182 122.287 125.316 -3.029 1 1 1990 . 14 1 1 A 177 177 HIS H H 183 8.431 8.408 0.023 1 1 1991 . 14 1 1 A 177 177 HIS HA H 183 3.975 4.716 -0.741 1 1 1996 . 14 1 1 A 177 177 HIS C C 183 176.008 174.818 1.190 1 1 1997 . 14 1 1 A 177 177 HIS CA C 183 57.533 55.889 1.644 1 1 1998 . 14 1 1 A 177 177 HIS CB C 183 27.362 32.883 -5.521 1 1 1999 . 14 1 1 A 177 177 HIS N N 183 109.605 125.631 -16.026 1 1 2000 . 14 1 1 A 178 178 LEU H H 184 9.603 7.854 1.749 1 1 2001 . 14 1 1 A 178 178 LEU HA H 184 4.276 4.311 -0.035 1 1 2011 . 14 1 1 A 178 178 LEU C C 184 178.805 177.883 0.922 1 1 2012 . 14 1 1 A 178 178 LEU CA C 184 56.034 54.245 1.789 1 1 2013 . 14 1 1 A 178 178 LEU CB C 184 39.882 42.058 -2.176 1 1 2017 . 14 1 1 A 178 178 LEU N N 184 124.374 120.999 3.375 1 1 2018 . 14 1 1 A 179 179 LYS H H 185 10.002 8.770 1.232 1 1 2019 . 14 1 1 A 179 179 LYS HA H 185 3.682 4.077 -0.395 1 1 2028 . 14 1 1 A 179 179 LYS C C 185 177.660 176.450 1.210 1 1 2029 . 14 1 1 A 179 179 LYS CA C 185 57.721 58.508 -0.787 1 1 2030 . 14 1 1 A 179 179 LYS CB C 185 31.949 32.039 -0.090 1 1 2034 . 14 1 1 A 179 179 LYS N N 185 122.880 120.990 1.890 1 1 2035 . 14 1 1 A 180 180 SER H H 186 7.262 7.548 -0.286 1 1 2036 . 14 1 1 A 180 180 SER HA H 186 4.672 4.976 -0.304 1 1 2039 . 14 1 1 A 180 180 SER C C 186 173.086 173.643 -0.557 1 1 2040 . 14 1 1 A 180 180 SER CA C 186 54.576 55.311 -0.735 1 1 2041 . 14 1 1 A 180 180 SER CB C 186 62.715 65.489 -2.774 1 1 2042 . 14 1 1 A 180 180 SER N N 186 115.187 112.350 2.837 1 1 2043 . 14 1 1 A 181 181 PRO HA H 187 3.956 4.313 -0.357 1 1 2050 . 14 1 1 A 181 181 PRO CA C 187 65.359 64.972 0.387 1 1 2051 . 14 1 1 A 181 181 PRO CB C 187 32.061 31.922 0.139 1 1 2054 . 14 1 1 A 182 182 GLU H H 188 8.076 8.532 -0.456 1 1 2055 . 14 1 1 A 182 182 GLU HA H 188 3.011 4.146 -1.135 1 1 2060 . 14 1 1 A 182 182 GLU C C 188 173.944 177.391 -3.447 1 1 2061 . 14 1 1 A 182 182 GLU CA C 188 56.597 58.481 -1.884 1 1 2062 . 14 1 1 A 182 182 GLU CB C 188 29.581 29.125 0.456 1 1 2064 . 14 1 1 A 182 182 GLU N N 188 113.034 116.708 -3.674 1 1 2065 . 14 1 1 A 183 183 LEU H H 189 7.126 7.461 -0.335 1 1 2066 . 14 1 1 A 183 183 LEU HA H 189 3.970 4.347 -0.377 1 1 2076 . 14 1 1 A 183 183 LEU C C 189 175.597 176.890 -1.293 1 1 2077 . 14 1 1 A 183 183 LEU CA C 189 53.849 54.808 -0.959 1 1 2078 . 14 1 1 A 183 183 LEU CB C 189 41.152 42.617 -1.465 1 1 2082 . 14 1 1 A 183 183 LEU N N 189 112.896 117.393 -4.497 1 1 2083 . 14 1 1 A 184 184 ASN H H 190 6.952 7.630 -0.678 1 1 2084 . 14 1 1 A 184 184 ASN HA H 190 4.596 4.712 -0.116 1 1 2089 . 14 1 1 A 184 184 ASN C C 190 175.694 174.730 0.964 1 1 2090 . 14 1 1 A 184 184 ASN CA C 190 53.200 53.494 -0.294 1 1 2091 . 14 1 1 A 184 184 ASN CB C 190 36.466 39.207 -2.741 1 1 2092 . 14 1 1 A 184 184 ASN N N 190 117.865 117.588 0.277 1 1 2094 . 14 1 1 A 185 185 VAL H H 191 7.178 8.739 -1.561 1 1 2095 . 14 1 1 A 185 185 VAL HA H 191 4.480 4.817 -0.337 1 1 2103 . 14 1 1 A 185 185 VAL C C 191 174.874 174.851 0.023 1 1 2104 . 14 1 1 A 185 185 VAL CA C 191 59.753 58.740 1.013 1 1 2105 . 14 1 1 A 185 185 VAL CB C 191 33.035 35.058 -2.023 1 1 2108 . 14 1 1 A 185 185 VAL N N 191 113.276 117.371 -4.095 1 1 2109 . 14 1 1 A 186 186 ASP H H 192 8.827 8.518 0.309 1 1 2110 . 14 1 1 A 186 186 ASP HA H 192 4.779 4.786 -0.007 1 1 2113 . 14 1 1 A 186 186 ASP C C 192 174.919 175.265 -0.346 1 1 2114 . 14 1 1 A 186 186 ASP CA C 192 54.058 54.511 -0.453 1 1 2115 . 14 1 1 A 186 186 ASP CB C 192 41.635 41.774 -0.139 1 1 2116 . 14 1 1 A 186 186 ASP N N 192 118.111 122.120 -4.009 1 1 2117 . 14 1 1 A 187 187 LEU H H 193 8.375 8.206 0.169 1 1 2118 . 14 1 1 A 187 187 LEU HA H 193 4.146 5.212 -1.066 1 1 2127 . 14 1 1 A 187 187 LEU CA C 193 52.331 53.413 -1.082 1 1 2128 . 14 1 1 A 187 187 LEU CB C 193 38.187 45.350 -7.163 1 1 2131 . 14 1 1 A 187 187 LEU N N 193 123.130 124.587 -1.457 1 1 2132 . 14 1 1 A 188 188 ALA H H 194 8.225 8.620 -0.395 1 1 2133 . 14 1 1 A 188 188 ALA HA H 194 4.098 4.538 -0.440 1 1 2137 . 14 1 1 A 188 188 ALA C C 194 176.239 176.974 -0.735 1 1 2138 . 14 1 1 A 188 188 ALA CA C 194 52.498 51.800 0.698 1 1 2139 . 14 1 1 A 188 188 ALA CB C 194 20.030 19.159 0.871 1 1 2140 . 14 1 1 A 188 188 ALA N N 194 126.289 128.912 -2.623 1 1 2141 . 14 1 1 A 189 189 ALA H H 195 8.275 8.274 0.001 1 1 2142 . 14 1 1 A 189 189 ALA HA H 195 4.862 4.350 0.512 1 1 2146 . 14 1 1 A 189 189 ALA C C 195 178.131 178.172 -0.041 1 1 2147 . 14 1 1 A 189 189 ALA CA C 195 51.822 53.133 -1.311 1 1 2148 . 14 1 1 A 189 189 ALA CB C 195 17.367 19.007 -1.640 1 1 2149 . 14 1 1 A 189 189 ALA N N 195 122.010 125.886 -3.876 1 1 2150 . 14 1 1 A 190 190 ALA H H 196 8.823 8.798 0.025 1 1 2151 . 14 1 1 A 190 190 ALA HA H 196 4.634 5.105 -0.471 1 1 2155 . 14 1 1 A 190 190 ALA C C 196 175.141 175.401 -0.260 1 1 2156 . 14 1 1 A 190 190 ALA CA C 196 50.420 50.630 -0.210 1 1 2157 . 14 1 1 A 190 190 ALA CB C 196 23.461 23.993 -0.532 1 1 2158 . 14 1 1 A 190 190 ALA N N 196 126.018 124.392 1.626 1 1 2159 . 14 1 1 A 191 191 ASP H H 197 8.365 8.738 -0.373 1 1 2160 . 14 1 1 A 191 191 ASP HA H 197 5.160 5.280 -0.120 1 1 2163 . 14 1 1 A 191 191 ASP C C 197 176.028 175.559 0.469 1 1 2164 . 14 1 1 A 191 191 ASP CA C 197 54.034 51.780 2.254 1 1 2165 . 14 1 1 A 191 191 ASP CB C 197 41.691 43.519 -1.828 1 1 2166 . 14 1 1 A 191 191 ASP N N 197 118.646 117.788 0.858 1 1 2167 . 14 1 1 A 192 192 ILE H H 198 7.915 8.647 -0.732 1 1 2168 . 14 1 1 A 192 192 ILE HA H 198 4.315 4.089 0.226 1 1 2178 . 14 1 1 A 192 192 ILE C C 198 174.684 176.148 -1.464 1 1 2179 . 14 1 1 A 192 192 ILE CA C 198 60.951 61.189 -0.238 1 1 2180 . 14 1 1 A 192 192 ILE CB C 198 41.989 37.607 4.382 1 1 2184 . 14 1 1 A 192 192 ILE N N 198 119.664 120.567 -0.903 1 1 2185 . 14 1 1 A 193 193 LYS H H 199 9.175 8.369 0.806 1 1 2186 . 14 1 1 A 193 193 LYS HA H 199 4.530 4.295 0.235 1 1 2195 . 14 1 1 A 193 193 LYS C C 199 172.639 176.566 -3.927 1 1 2196 . 14 1 1 A 193 193 LYS CA C 199 53.361 54.481 -1.120 1 1 2197 . 14 1 1 A 193 193 LYS CB C 199 34.758 31.834 2.924 1 1 2201 . 14 1 1 A 193 193 LYS N N 199 127.122 126.350 0.772 1 1 2202 . 14 1 1 A 195 195 ASP H H 201 8.390 8.737 -0.347 1 1 2203 . 14 1 1 A 195 195 ASP HA H 201 4.550 4.804 -0.254 1 1 2206 . 14 1 1 A 195 195 ASP C C 201 179.300 176.823 2.477 1 1 2207 . 14 1 1 A 195 195 ASP CA C 201 51.354 54.097 -2.743 1 1 2208 . 14 1 1 A 195 195 ASP CB C 201 40.324 40.947 -0.623 1 1 2209 . 14 1 1 A 195 195 ASP N N 201 123.239 117.590 5.649 1 1 2210 . 14 1 1 A 196 196 GLY HA2 H 202 3.718 4.092 -0.374 1 1 2211 . 14 1 1 A 196 196 GLY HA3 H 202 3.437 4.163 -0.726 1 1 2212 . 14 1 1 A 196 196 GLY CA C 202 46.527 46.588 -0.061 1 1 2213 . 14 1 1 A 197 197 LYS H H 203 7.740 8.269 -0.529 1 1 2214 . 14 1 1 A 197 197 LYS HA H 203 4.118 4.099 0.019 1 1 2221 . 14 1 1 A 197 197 LYS C C 203 174.941 176.874 -1.933 1 1 2222 . 14 1 1 A 197 197 LYS CA C 203 55.054 58.618 -3.564 1 1 2223 . 14 1 1 A 197 197 LYS CB C 203 31.192 31.468 -0.276 1 1 2226 . 14 1 1 A 197 197 LYS N N 203 120.305 119.740 0.565 1 1 2227 . 14 1 1 A 198 198 ARG H H 204 8.059 8.066 -0.007 1 1 2228 . 14 1 1 A 198 198 ARG HA H 204 3.441 4.583 -1.142 1 1 2235 . 14 1 1 A 198 198 ARG C C 204 175.152 175.368 -0.216 1 1 2236 . 14 1 1 A 198 198 ARG CA C 204 56.911 56.309 0.602 1 1 2237 . 14 1 1 A 198 198 ARG CB C 204 26.584 33.079 -6.495 1 1 2240 . 14 1 1 A 198 198 ARG N N 204 111.796 118.482 -6.686 1 1 2241 . 14 1 1 A 199 199 HIS H H 205 8.531 7.834 0.697 1 1 2242 . 14 1 1 A 199 199 HIS HA H 205 4.812 5.181 -0.369 1 1 2247 . 14 1 1 A 199 199 HIS C C 205 174.866 172.816 2.050 1 1 2248 . 14 1 1 A 199 199 HIS CA C 205 53.700 56.344 -2.644 1 1 2249 . 14 1 1 A 199 199 HIS CB C 205 27.838 32.896 -5.058 1 1 2250 . 14 1 1 A 199 199 HIS N N 205 120.255 117.556 2.699 1 1 2251 . 14 1 1 A 200 200 ALA H H 206 8.492 7.985 0.507 1 1 2252 . 14 1 1 A 200 200 ALA HA H 206 4.615 5.200 -0.585 1 1 2256 . 14 1 1 A 200 200 ALA C C 206 175.840 174.870 0.970 1 1 2257 . 14 1 1 A 200 200 ALA CA C 206 52.247 50.227 2.020 1 1 2258 . 14 1 1 A 200 200 ALA CB C 206 19.838 23.636 -3.798 1 1 2259 . 14 1 1 A 200 200 ALA N N 206 123.237 124.245 -1.008 1 1 2260 . 14 1 1 A 201 201 VAL H H 207 9.174 8.419 0.755 1 1 2261 . 14 1 1 A 201 201 VAL HA H 207 4.976 4.612 0.364 1 1 2269 . 14 1 1 A 201 201 VAL C C 207 173.390 174.354 -0.964 1 1 2270 . 14 1 1 A 201 201 VAL CA C 207 60.775 60.542 0.233 1 1 2271 . 14 1 1 A 201 201 VAL CB C 207 35.488 36.090 -0.602 1 1 2274 . 14 1 1 A 201 201 VAL N N 207 123.250 117.364 5.886 1 1 2275 . 14 1 1 A 202 202 ILE H H 208 8.887 8.521 0.366 1 1 2276 . 14 1 1 A 202 202 ILE HA H 208 4.312 4.835 -0.523 1 1 2286 . 14 1 1 A 202 202 ILE C C 208 174.670 174.697 -0.027 1 1 2287 . 14 1 1 A 202 202 ILE CA C 208 60.815 59.699 1.116 1 1 2288 . 14 1 1 A 202 202 ILE CB C 208 41.576 40.474 1.102 1 1 2292 . 14 1 1 A 202 202 ILE N N 208 122.699 126.890 -4.191 1 1 2293 . 14 1 1 A 203 203 SER H H 209 8.416 8.800 -0.384 1 1 2294 . 14 1 1 A 203 203 SER HA H 209 4.913 4.816 0.097 1 1 2297 . 14 1 1 A 203 203 SER C C 209 172.984 172.913 0.071 1 1 2298 . 14 1 1 A 203 203 SER CA C 209 55.676 56.600 -0.924 1 1 2299 . 14 1 1 A 203 203 SER CB C 209 64.355 64.425 -0.070 1 1 2300 . 14 1 1 A 203 203 SER N N 209 122.067 122.725 -0.658 1 1 2301 . 14 1 1 A 204 204 GLY H H 210 7.292 8.054 -0.762 1 1 2302 . 14 1 1 A 204 204 GLY HA2 H 210 4.432 3.986 0.446 1 1 2303 . 14 1 1 A 204 204 GLY HA3 H 210 3.352 4.160 -0.808 1 1 2304 . 14 1 1 A 204 204 GLY C C 210 172.482 172.467 0.015 1 1 2305 . 14 1 1 A 204 204 GLY CA C 210 45.167 44.717 0.450 1 1 2306 . 14 1 1 A 204 204 GLY N N 210 110.488 113.649 -3.161 1 1 2307 . 14 1 1 A 205 205 SER H H 211 8.652 8.830 -0.178 1 1 2308 . 14 1 1 A 205 205 SER HA H 211 5.027 5.540 -0.513 1 1 2311 . 14 1 1 A 205 205 SER C C 211 172.852 173.422 -0.570 1 1 2312 . 14 1 1 A 205 205 SER CA C 211 58.806 57.471 1.335 1 1 2313 . 14 1 1 A 205 205 SER CB C 211 64.384 66.355 -1.971 1 1 2314 . 14 1 1 A 205 205 SER N N 211 116.497 116.695 -0.198 1 1 2315 . 14 1 1 A 206 206 VAL H H 212 7.400 9.131 -1.731 1 1 2316 . 14 1 1 A 206 206 VAL HA H 212 5.032 4.658 0.374 1 1 2324 . 14 1 1 A 206 206 VAL C C 212 174.500 174.422 0.078 1 1 2325 . 14 1 1 A 206 206 VAL CA C 212 58.764 61.559 -2.795 1 1 2326 . 14 1 1 A 206 206 VAL CB C 212 30.512 34.618 -4.106 1 1 2329 . 14 1 1 A 206 206 VAL N N 212 117.101 124.097 -6.996 1 1 2330 . 14 1 1 A 207 207 LEU H H 213 8.961 8.842 0.119 1 1 2331 . 14 1 1 A 207 207 LEU HA H 213 5.312 4.864 0.448 1 1 2341 . 14 1 1 A 207 207 LEU C C 213 175.520 174.708 0.812 1 1 2342 . 14 1 1 A 207 207 LEU CA C 213 52.630 54.354 -1.724 1 1 2343 . 14 1 1 A 207 207 LEU CB C 213 45.567 43.603 1.964 1 1 2347 . 14 1 1 A 207 207 LEU N N 213 124.185 130.520 -6.335 1 1 2348 . 14 1 1 A 208 208 TYR H H 214 8.836 8.868 -0.032 1 1 2349 . 14 1 1 A 208 208 TYR HA H 214 4.766 4.561 0.205 1 1 2356 . 14 1 1 A 208 208 TYR C C 214 175.964 175.454 0.510 1 1 2357 . 14 1 1 A 208 208 TYR CA C 214 56.943 58.217 -1.274 1 1 2358 . 14 1 1 A 208 208 TYR CB C 214 41.736 39.248 2.488 1 1 2359 . 14 1 1 A 208 208 TYR N N 214 120.202 128.049 -7.847 1 1 2360 . 14 1 1 A 209 209 ASN H H 215 9.292 9.005 0.287 1 1 2361 . 14 1 1 A 209 209 ASN HA H 215 4.001 4.263 -0.262 1 1 2366 . 14 1 1 A 209 209 ASN C C 215 174.336 174.285 0.051 1 1 2367 . 14 1 1 A 209 209 ASN CA C 215 53.923 54.057 -0.134 1 1 2368 . 14 1 1 A 209 209 ASN CB C 215 36.468 37.136 -0.668 1 1 2369 . 14 1 1 A 209 209 ASN N N 215 129.805 125.520 4.285 1 1 2371 . 14 1 1 A 210 210 GLN H H 216 8.614 8.434 0.180 1 1 2372 . 14 1 1 A 210 210 GLN HA H 216 3.453 3.849 -0.396 1 1 2379 . 14 1 1 A 210 210 GLN C C 216 173.521 174.683 -1.162 1 1 2380 . 14 1 1 A 210 210 GLN CA C 216 57.881 57.202 0.679 1 1 2381 . 14 1 1 A 210 210 GLN CB C 216 26.089 26.530 -0.441 1 1 2383 . 14 1 1 A 210 210 GLN N N 216 106.396 110.266 -3.870 1 1 2385 . 14 1 1 A 211 211 ALA H H 217 7.657 7.426 0.231 1 1 2386 . 14 1 1 A 211 211 ALA HA H 217 4.608 4.503 0.105 1 1 2390 . 14 1 1 A 211 211 ALA C C 217 176.432 176.801 -0.369 1 1 2391 . 14 1 1 A 211 211 ALA CA C 217 50.786 51.005 -0.219 1 1 2392 . 14 1 1 A 211 211 ALA CB C 217 20.499 20.898 -0.399 1 1 2393 . 14 1 1 A 211 211 ALA N N 217 123.338 118.086 5.252 1 1 2394 . 14 1 1 A 212 212 GLU H H 218 8.712 8.784 -0.072 1 1 2395 . 14 1 1 A 212 212 GLU HA H 218 4.525 4.208 0.317 1 1 2400 . 14 1 1 A 212 212 GLU C C 218 177.924 174.723 3.201 1 1 2401 . 14 1 1 A 212 212 GLU CA C 218 57.550 59.047 -1.497 1 1 2402 . 14 1 1 A 212 212 GLU CB C 218 28.811 28.735 0.076 1 1 2404 . 14 1 1 A 212 212 GLU N N 218 122.631 116.835 5.796 1 1 2405 . 14 1 1 A 213 213 LYS H H 219 8.835 8.384 0.451 1 1 2406 . 14 1 1 A 213 213 LYS HA H 219 4.612 4.793 -0.181 1 1 2415 . 14 1 1 A 213 213 LYS C C 219 173.786 175.054 -1.268 1 1 2416 . 14 1 1 A 213 213 LYS CA C 219 53.115 55.619 -2.504 1 1 2417 . 14 1 1 A 213 213 LYS CB C 219 34.180 34.852 -0.672 1 1 2421 . 14 1 1 A 213 213 LYS N N 219 126.870 121.030 5.840 1 1 2422 . 14 1 1 A 214 214 GLY H H 220 7.929 9.386 -1.457 1 1 2423 . 14 1 1 A 214 214 GLY HA2 H 220 5.469 4.209 1.260 1 1 2424 . 14 1 1 A 214 214 GLY HA3 H 220 3.719 4.224 -0.505 1 1 2425 . 14 1 1 A 214 214 GLY C C 220 173.926 172.865 1.061 1 1 2426 . 14 1 1 A 214 214 GLY CA C 220 44.536 44.271 0.265 1 1 2427 . 14 1 1 A 214 214 GLY N N 220 107.019 114.174 -7.155 1 1 2428 . 14 1 1 A 215 215 SER H H 221 8.678 8.764 -0.086 1 1 2429 . 14 1 1 A 215 215 SER HA H 221 5.460 5.574 -0.114 1 1 2432 . 14 1 1 A 215 215 SER C C 221 171.043 173.007 -1.964 1 1 2433 . 14 1 1 A 215 215 SER CA C 221 56.810 57.022 -0.212 1 1 2434 . 14 1 1 A 215 215 SER CB C 221 66.671 66.411 0.260 1 1 2435 . 14 1 1 A 215 215 SER N N 221 117.334 113.628 3.706 1 1 2436 . 14 1 1 A 216 216 TYR H H 222 8.958 9.138 -0.180 1 1 2437 . 14 1 1 A 216 216 TYR HA H 222 5.389 5.799 -0.410 1 1 2445 . 14 1 1 A 216 216 TYR C C 222 172.789 172.921 -0.132 1 1 2446 . 14 1 1 A 216 216 TYR CA C 222 55.819 55.519 0.300 1 1 2447 . 14 1 1 A 216 216 TYR CB C 222 41.681 41.847 -0.166 1 1 2448 . 14 1 1 A 216 216 TYR N N 222 117.645 119.252 -1.607 1 1 2449 . 14 1 1 A 217 217 SER H H 223 8.837 9.277 -0.440 1 1 2450 . 14 1 1 A 217 217 SER HA H 223 5.165 5.305 -0.140 1 1 2453 . 14 1 1 A 217 217 SER C C 223 173.125 172.475 0.650 1 1 2454 . 14 1 1 A 217 217 SER CA C 223 56.600 56.721 -0.121 1 1 2455 . 14 1 1 A 217 217 SER CB C 223 64.500 65.237 -0.737 1 1 2456 . 14 1 1 A 217 217 SER N N 223 115.593 115.825 -0.232 1 1 2457 . 14 1 1 A 218 218 LEU H H 224 9.299 8.448 0.851 1 1 2458 . 14 1 1 A 218 218 LEU HA H 224 4.748 4.953 -0.205 1 1 2468 . 14 1 1 A 218 218 LEU C C 224 175.567 174.678 0.889 1 1 2469 . 14 1 1 A 218 218 LEU CA C 224 53.138 53.633 -0.495 1 1 2470 . 14 1 1 A 218 218 LEU CB C 224 46.255 45.133 1.122 1 1 2474 . 14 1 1 A 218 218 LEU N N 224 123.523 121.670 1.853 1 1 2475 . 14 1 1 A 219 219 GLY H H 225 9.041 8.242 0.799 1 1 2476 . 14 1 1 A 219 219 GLY HA2 H 225 4.620 3.922 0.698 1 1 2477 . 14 1 1 A 219 219 GLY HA3 H 225 3.413 3.971 -0.558 1 1 2478 . 14 1 1 A 219 219 GLY C C 225 171.514 171.232 0.282 1 1 2479 . 14 1 1 A 219 219 GLY CA C 225 43.777 43.359 0.418 1 1 2480 . 14 1 1 A 219 219 GLY N N 225 108.999 106.051 2.948 1 1 2481 . 14 1 1 A 220 220 ILE H H 226 6.853 8.408 -1.555 1 1 2482 . 14 1 1 A 220 220 ILE HA H 226 4.615 4.444 0.171 1 1 2492 . 14 1 1 A 220 220 ILE C C 226 174.750 175.217 -0.467 1 1 2493 . 14 1 1 A 220 220 ILE CA C 226 60.421 60.160 0.261 1 1 2494 . 14 1 1 A 220 220 ILE CB C 226 38.213 38.442 -0.229 1 1 2498 . 14 1 1 A 220 220 ILE N N 226 120.223 121.687 -1.464 1 1 2499 . 14 1 1 A 221 221 PHE H H 227 9.392 8.750 0.642 1 1 2500 . 14 1 1 A 221 221 PHE HA H 227 4.770 5.185 -0.415 1 1 2507 . 14 1 1 A 221 221 PHE C C 227 175.093 175.496 -0.403 1 1 2508 . 14 1 1 A 221 221 PHE CA C 227 58.053 56.520 1.533 1 1 2509 . 14 1 1 A 221 221 PHE CB C 227 42.505 42.332 0.173 1 1 2510 . 14 1 1 A 221 221 PHE N N 227 128.229 125.867 2.362 1 1 2511 . 14 1 1 A 222 222 GLY H H 228 8.675 8.984 -0.309 1 1 2512 . 14 1 1 A 222 222 GLY HA2 H 228 3.174 4.053 -0.879 1 1 2513 . 14 1 1 A 222 222 GLY HA3 H 228 4.311 4.056 0.255 1 1 2514 . 14 1 1 A 222 222 GLY CA C 228 42.438 44.801 -2.363 1 1 2515 . 14 1 1 A 222 222 GLY N N 228 104.634 110.511 -5.877 1 1 2516 . 14 1 1 A 223 223 GLY CA C 229 46.870 46.553 0.317 1 1 2517 . 14 1 1 A 224 224 LYS H H 230 8.366 7.672 0.694 1 1 2518 . 14 1 1 A 224 224 LYS HA H 230 4.305 4.545 -0.240 1 1 2523 . 14 1 1 A 224 224 LYS C C 230 174.717 175.630 -0.913 1 1 2524 . 14 1 1 A 224 224 LYS CA C 230 54.119 54.817 -0.698 1 1 2525 . 14 1 1 A 224 224 LYS CB C 230 30.821 33.236 -2.415 1 1 2527 . 14 1 1 A 224 224 LYS N N 230 118.720 118.556 0.164 1 1 2528 . 14 1 1 A 225 225 ALA H H 231 7.633 7.754 -0.121 1 1 2529 . 14 1 1 A 225 225 ALA HA H 231 3.810 4.198 -0.388 1 1 2533 . 14 1 1 A 225 225 ALA C C 231 176.702 177.426 -0.724 1 1 2534 . 14 1 1 A 225 225 ALA CA C 231 51.868 53.182 -1.314 1 1 2535 . 14 1 1 A 225 225 ALA CB C 231 16.117 17.243 -1.126 1 1 2536 . 14 1 1 A 225 225 ALA N N 231 118.077 120.109 -2.032 1 1 2537 . 14 1 1 A 226 226 GLN H H 232 9.387 7.983 1.404 1 1 2538 . 14 1 1 A 226 226 GLN HA H 232 3.877 4.275 -0.398 1 1 2543 . 14 1 1 A 226 226 GLN C C 232 175.992 175.722 0.270 1 1 2544 . 14 1 1 A 226 226 GLN CA C 232 60.989 57.629 3.360 1 1 2545 . 14 1 1 A 226 226 GLN CB C 232 28.695 30.151 -1.456 1 1 2547 . 14 1 1 A 226 226 GLN N N 232 117.991 117.994 -0.003 1 1 2548 . 14 1 1 A 227 227 GLU H H 233 8.825 7.476 1.349 1 1 2549 . 14 1 1 A 227 227 GLU HA H 233 5.411 4.883 0.528 1 1 2554 . 14 1 1 A 227 227 GLU C C 233 174.939 174.053 0.886 1 1 2555 . 14 1 1 A 227 227 GLU CA C 233 54.289 55.544 -1.255 1 1 2556 . 14 1 1 A 227 227 GLU CB C 233 33.797 32.794 1.003 1 1 2558 . 14 1 1 A 227 227 GLU N N 233 116.638 115.264 1.374 1 1 2559 . 14 1 1 A 228 228 VAL H H 234 8.343 8.689 -0.346 1 1 2560 . 14 1 1 A 228 228 VAL HA H 234 5.544 4.847 0.697 1 1 2568 . 14 1 1 A 228 228 VAL C C 234 174.839 174.360 0.479 1 1 2569 . 14 1 1 A 228 228 VAL CA C 234 57.867 59.900 -2.033 1 1 2570 . 14 1 1 A 228 228 VAL CB C 234 35.379 35.702 -0.323 1 1 2573 . 14 1 1 A 228 228 VAL N N 234 109.304 116.117 -6.813 1 1 2574 . 14 1 1 A 229 229 ALA H H 235 8.475 8.573 -0.098 1 1 2575 . 14 1 1 A 229 229 ALA HA H 235 4.937 5.018 -0.081 1 1 2579 . 14 1 1 A 229 229 ALA C C 235 176.417 176.011 0.406 1 1 2580 . 14 1 1 A 229 229 ALA CA C 235 51.303 51.261 0.042 1 1 2581 . 14 1 1 A 229 229 ALA CB C 235 20.301 23.247 -2.946 1 1 2582 . 14 1 1 A 229 229 ALA N N 235 120.653 123.811 -3.158 1 1 2583 . 14 1 1 A 230 230 GLY H H 236 9.361 8.307 1.054 1 1 2584 . 14 1 1 A 230 230 GLY HA2 H 236 5.075 4.221 0.854 1 1 2585 . 14 1 1 A 230 230 GLY HA3 H 236 4.017 4.263 -0.246 1 1 2586 . 14 1 1 A 230 230 GLY C C 236 170.130 171.911 -1.781 1 1 2587 . 14 1 1 A 230 230 GLY CA C 236 46.221 46.049 0.172 1 1 2588 . 14 1 1 A 230 230 GLY N N 236 111.104 106.067 5.037 1 1 2589 . 14 1 1 A 231 231 SER H H 237 8.889 8.894 -0.005 1 1 2590 . 14 1 1 A 231 231 SER HA H 237 5.276 5.412 -0.136 1 1 2593 . 14 1 1 A 231 231 SER C C 237 171.360 173.189 -1.829 1 1 2594 . 14 1 1 A 231 231 SER CA C 237 56.498 57.219 -0.721 1 1 2595 . 14 1 1 A 231 231 SER CB C 237 66.398 66.385 0.013 1 1 2596 . 14 1 1 A 231 231 SER N N 237 115.308 115.535 -0.227 1 1 2597 . 14 1 1 A 232 232 ALA H H 238 9.083 9.052 0.031 1 1 2598 . 14 1 1 A 232 232 ALA HA H 238 5.148 5.218 -0.070 1 1 2602 . 14 1 1 A 232 232 ALA C C 238 174.537 175.699 -1.162 1 1 2603 . 14 1 1 A 232 232 ALA CA C 238 49.904 50.541 -0.637 1 1 2604 . 14 1 1 A 232 232 ALA CB C 238 21.729 22.080 -0.351 1 1 2605 . 14 1 1 A 232 232 ALA N N 238 119.911 123.967 -4.056 1 1 2606 . 14 1 1 A 233 233 GLU H H 239 9.015 9.175 -0.160 1 1 2607 . 14 1 1 A 233 233 GLU HA H 239 4.631 4.962 -0.331 1 1 2612 . 14 1 1 A 233 233 GLU C C 239 174.122 175.111 -0.989 1 1 2613 . 14 1 1 A 233 233 GLU CA C 239 54.786 54.559 0.227 1 1 2614 . 14 1 1 A 233 233 GLU CB C 239 31.355 32.852 -1.497 1 1 2616 . 14 1 1 A 233 233 GLU N N 239 122.744 122.571 0.173 1 1 2617 . 14 1 1 A 234 234 VAL H H 240 8.792 8.804 -0.012 1 1 2618 . 14 1 1 A 234 234 VAL HA H 240 4.394 4.788 -0.394 1 1 2623 . 14 1 1 A 234 234 VAL C C 240 174.833 173.573 1.260 1 1 2624 . 14 1 1 A 234 234 VAL CA C 240 61.427 59.419 2.008 1 1 2625 . 14 1 1 A 234 234 VAL CB C 240 33.863 35.239 -1.376 1 1 2627 . 14 1 1 A 234 234 VAL N N 240 124.203 120.797 3.406 1 1 2628 . 14 1 1 A 235 235 LYS H H 241 8.841 8.092 0.749 1 1 2629 . 14 1 1 A 235 235 LYS HA H 241 3.981 4.784 -0.803 1 1 2638 . 14 1 1 A 235 235 LYS C C 241 174.548 176.288 -1.740 1 1 2639 . 14 1 1 A 235 235 LYS CA C 241 55.955 55.623 0.332 1 1 2640 . 14 1 1 A 235 235 LYS CB C 241 32.100 33.925 -1.825 1 1 2644 . 14 1 1 A 235 235 LYS N N 241 127.554 127.655 -0.101 1 1 2645 . 14 1 1 A 236 236 THR H H 242 7.212 8.625 -1.413 1 1 2646 . 14 1 1 A 236 236 THR HA H 242 4.355 5.039 -0.684 1 1 2651 . 14 1 1 A 236 236 THR C C 242 176.482 175.597 0.885 1 1 2652 . 14 1 1 A 236 236 THR CA C 242 61.054 59.225 1.829 1 1 2653 . 14 1 1 A 236 236 THR CB C 242 72.642 71.881 0.761 1 1 2655 . 14 1 1 A 236 236 THR N N 242 114.463 113.362 1.101 1 1 2656 . 14 1 1 A 237 237 VAL H H 243 9.582 9.058 0.524 1 1 2657 . 14 1 1 A 237 237 VAL HA H 243 3.849 3.847 0.002 1 1 2665 . 14 1 1 A 237 237 VAL C C 243 176.201 177.380 -1.179 1 1 2666 . 14 1 1 A 237 237 VAL CA C 243 64.701 65.522 -0.821 1 1 2667 . 14 1 1 A 237 237 VAL CB C 243 31.028 31.484 -0.456 1 1 2669 . 14 1 1 A 237 237 VAL N N 243 120.670 118.985 1.685 1 1 2670 . 14 1 1 A 238 238 ASN H H 244 7.572 8.096 -0.524 1 1 2671 . 14 1 1 A 238 238 ASN HA H 244 4.882 4.621 0.261 1 1 2676 . 14 1 1 A 238 238 ASN C C 244 173.835 175.668 -1.833 1 1 2677 . 14 1 1 A 238 238 ASN CA C 244 52.022 53.650 -1.628 1 1 2678 . 14 1 1 A 238 238 ASN CB C 244 39.176 38.997 0.179 1 1 2679 . 14 1 1 A 238 238 ASN N N 244 115.638 117.456 -1.818 1 1 2681 . 14 1 1 A 239 239 GLY H H 245 7.362 7.219 0.143 1 1 2682 . 14 1 1 A 239 239 GLY HA2 H 245 4.539 4.117 0.422 1 1 2683 . 14 1 1 A 239 239 GLY HA3 H 245 3.728 4.128 -0.400 1 1 2684 . 14 1 1 A 239 239 GLY C C 245 174.343 172.051 2.292 1 1 2685 . 14 1 1 A 239 239 GLY CA C 245 43.316 44.289 -0.973 1 1 2686 . 14 1 1 A 239 239 GLY N N 245 107.650 104.928 2.722 1 1 2687 . 14 1 1 A 240 240 ILE H H 246 8.672 8.304 0.368 1 1 2688 . 14 1 1 A 240 240 ILE HA H 246 4.351 4.453 -0.102 1 1 2698 . 14 1 1 A 240 240 ILE C C 246 176.899 174.418 2.481 1 1 2699 . 14 1 1 A 240 240 ILE CA C 246 61.120 60.817 0.303 1 1 2700 . 14 1 1 A 240 240 ILE CB C 246 36.906 38.926 -2.020 1 1 2704 . 14 1 1 A 240 240 ILE N N 246 122.673 121.289 1.384 1 1 2705 . 14 1 1 A 241 241 ARG H H 247 9.233 8.823 0.410 1 1 2706 . 14 1 1 A 241 241 ARG HA H 247 4.370 4.984 -0.614 1 1 2713 . 14 1 1 A 241 241 ARG C C 247 173.925 174.916 -0.991 1 1 2714 . 14 1 1 A 241 241 ARG CA C 247 53.461 54.782 -1.321 1 1 2715 . 14 1 1 A 241 241 ARG CB C 247 31.910 32.122 -0.212 1 1 2718 . 14 1 1 A 241 241 ARG N N 247 128.497 127.976 0.521 1 1 2719 . 14 1 1 A 242 242 HIS H H 248 8.519 9.005 -0.486 1 1 2720 . 14 1 1 A 242 242 HIS HA H 248 5.323 4.933 0.390 1 1 2725 . 14 1 1 A 242 242 HIS C C 248 174.635 175.032 -0.397 1 1 2726 . 14 1 1 A 242 242 HIS CA C 248 55.759 55.288 0.471 1 1 2727 . 14 1 1 A 242 242 HIS CB C 248 32.921 31.171 1.750 1 1 2728 . 14 1 1 A 242 242 HIS N N 248 121.131 121.687 -0.556 1 1 2729 . 14 1 1 A 243 243 ILE H H 249 8.723 8.835 -0.112 1 1 2730 . 14 1 1 A 243 243 ILE HA H 249 4.522 4.751 -0.229 1 1 2740 . 14 1 1 A 243 243 ILE C C 249 176.188 175.160 1.028 1 1 2741 . 14 1 1 A 243 243 ILE CA C 249 58.524 59.908 -1.384 1 1 2742 . 14 1 1 A 243 243 ILE CB C 249 41.977 42.590 -0.613 1 1 2746 . 14 1 1 A 243 243 ILE N N 249 119.438 123.619 -4.181 1 1 2747 . 14 1 1 A 244 244 GLY H H 250 9.351 8.765 0.586 1 1 2748 . 14 1 1 A 244 244 GLY HA2 H 250 3.707 2.995 0.712 1 1 2749 . 14 1 1 A 244 244 GLY HA3 H 250 2.119 3.939 -1.820 1 1 2750 . 14 1 1 A 244 244 GLY C C 250 170.981 171.937 -0.956 1 1 2751 . 14 1 1 A 244 244 GLY CA C 250 44.178 43.670 0.508 1 1 2752 . 14 1 1 A 244 244 GLY N N 250 113.700 114.198 -0.498 1 1 2753 . 14 1 1 A 245 245 LEU H H 251 7.833 8.351 -0.518 1 1 2754 . 14 1 1 A 245 245 LEU HA H 251 4.717 5.114 -0.397 1 1 2764 . 14 1 1 A 245 245 LEU C C 251 174.501 175.745 -1.244 1 1 2765 . 14 1 1 A 245 245 LEU CA C 251 52.508 53.412 -0.904 1 1 2766 . 14 1 1 A 245 245 LEU CB C 251 46.764 44.752 2.012 1 1 2770 . 14 1 1 A 245 245 LEU N N 251 120.798 123.530 -2.732 1 1 2771 . 14 1 1 A 246 246 ALA H H 252 7.906 8.616 -0.710 1 1 2772 . 14 1 1 A 246 246 ALA HA H 252 4.589 4.948 -0.359 1 1 2776 . 14 1 1 A 246 246 ALA C C 252 173.363 175.486 -2.123 1 1 2777 . 14 1 1 A 246 246 ALA CA C 252 51.546 51.669 -0.123 1 1 2778 . 14 1 1 A 246 246 ALA CB C 252 21.524 21.460 0.064 1 1 2779 . 14 1 1 A 246 246 ALA N N 252 122.885 123.461 -0.576 1 1 2780 . 14 1 1 A 247 247 ALA H H 253 9.041 8.530 0.511 1 1 2781 . 14 1 1 A 247 247 ALA HA H 253 4.726 5.010 -0.284 1 1 2785 . 14 1 1 A 247 247 ALA C C 253 174.897 175.429 -0.532 1 1 2786 . 14 1 1 A 247 247 ALA CA C 253 51.723 51.162 0.561 1 1 2787 . 14 1 1 A 247 247 ALA CB C 253 22.967 24.059 -1.092 1 1 2788 . 14 1 1 A 247 247 ALA N N 253 122.967 122.314 0.653 1 1 2789 . 14 1 1 A 248 248 LYS H H 254 8.171 9.048 -0.877 1 1 2790 . 14 1 1 A 248 248 LYS HA H 254 5.731 5.081 0.650 1 1 2797 . 14 1 1 A 248 248 LYS C C 254 175.094 175.390 -0.296 1 1 2798 . 14 1 1 A 248 248 LYS CA C 254 53.866 54.988 -1.122 1 1 2799 . 14 1 1 A 248 248 LYS CB C 254 36.312 36.473 -0.161 1 1 2802 . 14 1 1 A 248 248 LYS N N 254 115.734 119.977 -4.243 1 1 60 . 15 1 1 A 9 9 GLY H H 15 8.346 8.791 -0.445 1 1 61 . 15 1 1 A 9 9 GLY HA2 H 15 4.021 3.883 0.138 1 1 62 . 15 1 1 A 9 9 GLY HA3 H 15 3.772 3.884 -0.112 1 1 63 . 15 1 1 A 9 9 GLY C C 15 174.259 175.442 -1.183 1 1 64 . 15 1 1 A 9 9 GLY CA C 15 45.581 46.508 -0.927 1 1 65 . 15 1 1 A 9 9 GLY N N 15 107.368 111.809 -4.441 1 1 66 . 15 1 1 A 10 10 LEU H H 16 7.224 7.797 -0.573 1 1 67 . 15 1 1 A 10 10 LEU HA H 16 3.736 4.113 -0.377 1 1 77 . 15 1 1 A 10 10 LEU C C 16 178.202 179.494 -1.292 1 1 78 . 15 1 1 A 10 10 LEU CA C 16 57.915 57.331 0.584 1 1 79 . 15 1 1 A 10 10 LEU CB C 16 40.686 41.181 -0.495 1 1 83 . 15 1 1 A 10 10 LEU N N 16 117.616 122.642 -5.026 1 1 84 . 15 1 1 A 11 11 ALA H H 17 7.860 7.828 0.032 1 1 85 . 15 1 1 A 11 11 ALA HA H 17 3.937 4.096 -0.159 1 1 89 . 15 1 1 A 11 11 ALA C C 17 181.090 178.870 2.220 1 1 90 . 15 1 1 A 11 11 ALA CA C 17 54.860 55.086 -0.226 1 1 91 . 15 1 1 A 11 11 ALA CB C 17 17.248 17.908 -0.660 1 1 92 . 15 1 1 A 11 11 ALA N N 17 117.757 122.094 -4.337 1 1 93 . 15 1 1 A 12 12 ASP H H 18 8.017 7.931 0.086 1 1 94 . 15 1 1 A 12 12 ASP HA H 18 4.223 4.314 -0.091 1 1 97 . 15 1 1 A 12 12 ASP C C 18 177.941 178.394 -0.453 1 1 98 . 15 1 1 A 12 12 ASP CA C 18 56.341 56.971 -0.630 1 1 99 . 15 1 1 A 12 12 ASP CB C 18 39.312 40.967 -1.655 1 1 100 . 15 1 1 A 12 12 ASP N N 18 118.410 119.139 -0.729 1 1 101 . 15 1 1 A 13 13 ALA H H 19 8.205 8.144 0.061 1 1 102 . 15 1 1 A 13 13 ALA HA H 19 3.952 4.204 -0.252 1 1 106 . 15 1 1 A 13 13 ALA C C 19 178.856 178.551 0.305 1 1 107 . 15 1 1 A 13 13 ALA CA C 19 55.039 54.383 0.656 1 1 108 . 15 1 1 A 13 13 ALA CB C 19 17.779 18.544 -0.765 1 1 109 . 15 1 1 A 13 13 ALA N N 19 121.480 121.761 -0.281 1 1 110 . 15 1 1 A 14 14 LEU H H 20 7.217 7.404 -0.187 1 1 111 . 15 1 1 A 14 14 LEU HA H 20 4.258 4.235 0.023 1 1 121 . 15 1 1 A 14 14 LEU C C 20 177.544 178.313 -0.769 1 1 122 . 15 1 1 A 14 14 LEU CA C 20 55.511 56.487 -0.976 1 1 123 . 15 1 1 A 14 14 LEU CB C 20 42.176 42.469 -0.293 1 1 126 . 15 1 1 A 14 14 LEU N N 20 113.410 117.153 -3.743 1 1 127 . 15 1 1 A 15 15 THR H H 21 7.624 7.613 0.011 1 1 128 . 15 1 1 A 15 15 THR HA H 21 4.394 4.452 -0.058 1 1 133 . 15 1 1 A 15 15 THR C C 21 174.959 174.786 0.173 1 1 134 . 15 1 1 A 15 15 THR CA C 21 61.733 62.346 -0.613 1 1 135 . 15 1 1 A 15 15 THR CB C 21 71.514 69.675 1.839 1 1 137 . 15 1 1 A 15 15 THR N N 21 106.072 105.472 0.600 1 1 138 . 15 1 1 A 16 16 ALA H H 22 8.932 7.996 0.936 1 1 139 . 15 1 1 A 16 16 ALA HA H 22 4.624 4.871 -0.247 1 1 143 . 15 1 1 A 16 16 ALA C C 22 175.978 175.094 0.884 1 1 144 . 15 1 1 A 16 16 ALA CA C 22 50.681 50.209 0.472 1 1 145 . 15 1 1 A 16 16 ALA CB C 22 18.728 22.082 -3.354 1 1 146 . 15 1 1 A 16 16 ALA N N 22 127.789 121.847 5.942 1 1 147 . 15 1 1 A 17 17 PRO HA H 23 4.430 4.652 -0.222 1 1 154 . 15 1 1 A 17 17 PRO CA C 23 61.497 62.254 -0.757 1 1 155 . 15 1 1 A 17 17 PRO CB C 23 31.775 33.201 -1.426 1 1 158 . 15 1 1 A 18 18 LEU H H 24 8.154 8.868 -0.714 1 1 159 . 15 1 1 A 18 18 LEU HA H 24 3.894 4.343 -0.449 1 1 169 . 15 1 1 A 18 18 LEU C C 24 176.447 176.286 0.161 1 1 170 . 15 1 1 A 18 18 LEU CA C 24 55.510 56.624 -1.114 1 1 171 . 15 1 1 A 18 18 LEU CB C 24 40.921 42.578 -1.657 1 1 175 . 15 1 1 A 18 18 LEU N N 24 121.010 119.949 1.061 1 1 176 . 15 1 1 A 19 19 ASP H H 25 8.758 7.588 1.170 1 1 177 . 15 1 1 A 19 19 ASP HA H 25 4.626 5.128 -0.502 1 1 180 . 15 1 1 A 19 19 ASP C C 25 176.425 173.936 2.489 1 1 181 . 15 1 1 A 19 19 ASP CA C 25 52.688 53.242 -0.554 1 1 182 . 15 1 1 A 19 19 ASP CB C 25 42.819 44.761 -1.942 1 1 183 . 15 1 1 A 19 19 ASP N N 25 124.654 115.297 9.357 1 1 184 . 15 1 1 A 20 20 HIS HA H 26 4.272 5.085 -0.813 1 1 189 . 15 1 1 A 20 20 HIS CA C 26 58.100 54.237 3.863 1 1 190 . 15 1 1 A 20 20 HIS CB C 26 29.200 30.505 -1.305 1 1 191 . 15 1 1 A 21 21 LYS H H 27 8.348 8.542 -0.194 1 1 192 . 15 1 1 A 21 21 LYS HA H 27 3.970 4.450 -0.480 1 1 201 . 15 1 1 A 21 21 LYS C C 27 177.393 175.833 1.560 1 1 202 . 15 1 1 A 21 21 LYS CA C 27 56.320 56.894 -0.574 1 1 203 . 15 1 1 A 21 21 LYS CB C 27 30.950 34.666 -3.716 1 1 206 . 15 1 1 A 21 21 LYS N N 27 118.419 119.722 -1.303 1 1 207 . 15 1 1 A 22 22 ASP H H 28 7.451 7.926 -0.475 1 1 208 . 15 1 1 A 22 22 ASP HA H 28 4.307 4.755 -0.448 1 1 211 . 15 1 1 A 22 22 ASP C C 28 176.212 177.143 -0.931 1 1 212 . 15 1 1 A 22 22 ASP CA C 28 54.164 54.312 -0.148 1 1 213 . 15 1 1 A 22 22 ASP CB C 28 40.091 42.002 -1.911 1 1 214 . 15 1 1 A 22 22 ASP N N 28 120.045 120.842 -0.797 1 1 215 . 15 1 1 A 23 23 LYS H H 29 8.416 8.727 -0.311 1 1 216 . 15 1 1 A 23 23 LYS HA H 29 3.962 4.492 -0.530 1 1 225 . 15 1 1 A 23 23 LYS C C 29 177.409 176.262 1.147 1 1 226 . 15 1 1 A 23 23 LYS CA C 29 56.254 55.914 0.340 1 1 227 . 15 1 1 A 23 23 LYS CB C 29 31.950 31.806 0.144 1 1 231 . 15 1 1 A 23 23 LYS N N 29 121.925 121.545 0.380 1 1 232 . 15 1 1 A 24 24 GLY H H 30 8.612 7.941 0.671 1 1 233 . 15 1 1 A 24 24 GLY HA2 H 30 3.655 4.168 -0.513 1 1 234 . 15 1 1 A 24 24 GLY HA3 H 30 3.519 4.174 -0.655 1 1 235 . 15 1 1 A 24 24 GLY CA C 30 44.788 44.600 0.188 1 1 236 . 15 1 1 A 24 24 GLY N N 30 111.487 109.534 1.953 1 1 237 . 15 1 1 A 25 25 LEU H H 31 8.054 7.671 0.383 1 1 238 . 15 1 1 A 25 25 LEU HA H 31 3.770 4.288 -0.518 1 1 248 . 15 1 1 A 25 25 LEU CA C 31 55.906 55.306 0.600 1 1 249 . 15 1 1 A 25 25 LEU CB C 31 44.428 41.960 2.468 1 1 253 . 15 1 1 A 25 25 LEU N N 31 127.196 121.817 5.379 1 1 254 . 15 1 1 A 26 26 GLN H H 32 9.184 8.771 0.413 1 1 255 . 15 1 1 A 26 26 GLN HA H 32 3.437 4.559 -1.122 1 1 262 . 15 1 1 A 26 26 GLN C C 32 174.347 175.089 -0.742 1 1 263 . 15 1 1 A 26 26 GLN CA C 32 57.926 56.110 1.816 1 1 264 . 15 1 1 A 26 26 GLN CB C 32 27.721 29.920 -2.199 1 1 266 . 15 1 1 A 26 26 GLN N N 32 131.782 125.739 6.043 1 1 268 . 15 1 1 A 27 27 SER H H 33 7.240 7.778 -0.538 1 1 269 . 15 1 1 A 27 27 SER HA H 33 4.981 5.085 -0.104 1 1 272 . 15 1 1 A 27 27 SER C C 33 171.111 172.469 -1.358 1 1 273 . 15 1 1 A 27 27 SER CA C 33 56.782 57.365 -0.583 1 1 274 . 15 1 1 A 27 27 SER CB C 33 64.611 66.164 -1.553 1 1 275 . 15 1 1 A 27 27 SER N N 33 108.936 113.523 -4.587 1 1 276 . 15 1 1 A 28 28 LEU H H 34 8.010 8.771 -0.761 1 1 277 . 15 1 1 A 28 28 LEU HA H 34 4.372 4.961 -0.589 1 1 287 . 15 1 1 A 28 28 LEU C C 34 174.697 174.613 0.084 1 1 288 . 15 1 1 A 28 28 LEU CA C 34 53.332 53.799 -0.467 1 1 289 . 15 1 1 A 28 28 LEU CB C 34 45.636 46.299 -0.663 1 1 293 . 15 1 1 A 28 28 LEU N N 34 121.826 121.885 -0.059 1 1 294 . 15 1 1 A 29 29 THR H H 35 8.810 8.805 0.005 1 1 295 . 15 1 1 A 29 29 THR HA H 35 4.046 5.061 -1.015 1 1 300 . 15 1 1 A 29 29 THR C C 35 172.792 173.514 -0.722 1 1 301 . 15 1 1 A 29 29 THR CA C 35 62.565 61.668 0.897 1 1 302 . 15 1 1 A 29 29 THR CB C 35 68.233 71.063 -2.830 1 1 304 . 15 1 1 A 29 29 THR N N 35 123.892 120.434 3.458 1 1 305 . 15 1 1 A 30 30 LEU H H 36 8.662 9.218 -0.556 1 1 306 . 15 1 1 A 30 30 LEU HA H 36 4.150 4.480 -0.330 1 1 316 . 15 1 1 A 30 30 LEU C C 36 174.707 176.213 -1.506 1 1 317 . 15 1 1 A 30 30 LEU CA C 36 53.789 54.013 -0.224 1 1 318 . 15 1 1 A 30 30 LEU CB C 36 40.562 39.910 0.652 1 1 322 . 15 1 1 A 30 30 LEU N N 36 128.365 126.498 1.867 1 1 323 . 15 1 1 A 31 31 ASP H H 37 8.500 7.829 0.671 1 1 324 . 15 1 1 A 31 31 ASP HA H 37 4.837 4.625 0.212 1 1 327 . 15 1 1 A 31 31 ASP CA C 37 54.657 55.380 -0.723 1 1 328 . 15 1 1 A 31 31 ASP CB C 37 43.089 40.869 2.220 1 1 329 . 15 1 1 A 31 31 ASP N N 37 123.194 121.589 1.605 1 1 330 . 15 1 1 A 32 32 GLN H H 38 10.453 7.915 2.538 1 1 331 . 15 1 1 A 32 32 GLN HA H 38 3.808 4.645 -0.837 1 1 338 . 15 1 1 A 32 32 GLN C C 38 178.535 176.826 1.709 1 1 339 . 15 1 1 A 32 32 GLN CA C 38 56.284 56.740 -0.456 1 1 340 . 15 1 1 A 32 32 GLN CB C 38 28.175 32.022 -3.847 1 1 342 . 15 1 1 A 32 32 GLN N N 38 120.692 118.895 1.797 1 1 344 . 15 1 1 A 33 33 SER H H 39 8.523 8.556 -0.033 1 1 345 . 15 1 1 A 33 33 SER HA H 39 4.081 4.161 -0.080 1 1 348 . 15 1 1 A 33 33 SER C C 39 171.792 174.396 -2.604 1 1 349 . 15 1 1 A 33 33 SER CA C 39 61.436 61.884 -0.448 1 1 350 . 15 1 1 A 33 33 SER CB C 39 63.008 63.195 -0.187 1 1 351 . 15 1 1 A 33 33 SER N N 39 111.712 113.983 -2.271 1 1 352 . 15 1 1 A 34 34 VAL H H 40 6.691 7.368 -0.677 1 1 353 . 15 1 1 A 34 34 VAL HA H 40 3.890 4.985 -1.095 1 1 361 . 15 1 1 A 34 34 VAL C C 40 172.251 174.929 -2.678 1 1 362 . 15 1 1 A 34 34 VAL CA C 40 60.415 58.726 1.689 1 1 363 . 15 1 1 A 34 34 VAL CB C 40 32.306 35.245 -2.939 1 1 366 . 15 1 1 A 34 34 VAL N N 40 115.971 115.970 0.001 1 1 367 . 15 1 1 A 35 35 ARG H H 41 8.184 8.856 -0.672 1 1 368 . 15 1 1 A 35 35 ARG HA H 41 4.176 4.416 -0.240 1 1 375 . 15 1 1 A 35 35 ARG C C 41 176.886 177.922 -1.036 1 1 376 . 15 1 1 A 35 35 ARG CA C 41 55.599 55.471 0.128 1 1 377 . 15 1 1 A 35 35 ARG CB C 41 30.569 31.204 -0.635 1 1 380 . 15 1 1 A 35 35 ARG N N 41 125.397 123.439 1.958 1 1 381 . 15 1 1 A 36 36 LYS H H 42 8.493 8.636 -0.143 1 1 382 . 15 1 1 A 36 36 LYS HA H 42 3.778 4.241 -0.463 1 1 391 . 15 1 1 A 36 36 LYS C C 42 176.596 177.072 -0.476 1 1 392 . 15 1 1 A 36 36 LYS CA C 42 58.687 58.095 0.592 1 1 393 . 15 1 1 A 36 36 LYS CB C 42 31.959 32.238 -0.279 1 1 397 . 15 1 1 A 36 36 LYS N N 42 119.360 121.687 -2.327 1 1 398 . 15 1 1 A 37 37 ASN H H 43 8.513 8.315 0.198 1 1 399 . 15 1 1 A 37 37 ASN HA H 43 4.438 4.948 -0.510 1 1 404 . 15 1 1 A 37 37 ASN C C 43 173.867 174.449 -0.582 1 1 405 . 15 1 1 A 37 37 ASN CA C 43 55.127 52.660 2.467 1 1 406 . 15 1 1 A 37 37 ASN CB C 43 37.071 40.544 -3.473 1 1 407 . 15 1 1 A 37 37 ASN N N 43 115.488 114.561 0.927 1 1 409 . 15 1 1 A 38 38 GLU H H 44 7.793 7.483 0.310 1 1 410 . 15 1 1 A 38 38 GLU HA H 44 4.772 4.835 -0.063 1 1 413 . 15 1 1 A 38 38 GLU C C 44 175.262 174.988 0.274 1 1 414 . 15 1 1 A 38 38 GLU CA C 44 54.808 55.698 -0.890 1 1 415 . 15 1 1 A 38 38 GLU CB C 44 32.321 31.767 0.554 1 1 416 . 15 1 1 A 38 38 GLU N N 44 118.734 121.324 -2.590 1 1 417 . 15 1 1 A 39 39 LYS H H 45 8.706 8.655 0.051 1 1 418 . 15 1 1 A 39 39 LYS HA H 45 4.606 5.161 -0.555 1 1 427 . 15 1 1 A 39 39 LYS C C 45 174.312 175.518 -1.206 1 1 428 . 15 1 1 A 39 39 LYS CA C 45 52.782 54.846 -2.064 1 1 429 . 15 1 1 A 39 39 LYS CB C 45 35.174 35.236 -0.062 1 1 433 . 15 1 1 A 39 39 LYS N N 45 117.132 127.183 -10.051 1 1 434 . 15 1 1 A 40 40 LEU H H 46 9.085 9.048 0.037 1 1 435 . 15 1 1 A 40 40 LEU HA H 46 5.044 5.506 -0.462 1 1 442 . 15 1 1 A 40 40 LEU C C 46 173.778 175.251 -1.473 1 1 443 . 15 1 1 A 40 40 LEU CA C 46 52.590 52.543 0.047 1 1 444 . 15 1 1 A 40 40 LEU CB C 46 44.855 46.328 -1.473 1 1 447 . 15 1 1 A 40 40 LEU N N 46 125.335 122.129 3.206 1 1 448 . 15 1 1 A 41 41 LYS H H 47 9.263 8.941 0.322 1 1 449 . 15 1 1 A 41 41 LYS HA H 47 5.049 5.254 -0.205 1 1 458 . 15 1 1 A 41 41 LYS C C 47 175.616 174.572 1.044 1 1 459 . 15 1 1 A 41 41 LYS CA C 47 53.864 54.667 -0.803 1 1 460 . 15 1 1 A 41 41 LYS CB C 47 32.986 35.254 -2.268 1 1 464 . 15 1 1 A 41 41 LYS N N 47 129.833 119.789 10.044 1 1 465 . 15 1 1 A 42 42 LEU H H 48 8.954 9.274 -0.320 1 1 466 . 15 1 1 A 42 42 LEU HA H 48 5.458 5.360 0.098 1 1 476 . 15 1 1 A 42 42 LEU C C 48 175.565 174.969 0.596 1 1 477 . 15 1 1 A 42 42 LEU CA C 48 51.964 53.496 -1.532 1 1 478 . 15 1 1 A 42 42 LEU CB C 48 44.393 45.428 -1.035 1 1 482 . 15 1 1 A 42 42 LEU N N 48 126.292 127.110 -0.818 1 1 483 . 15 1 1 A 43 43 ALA H H 49 8.804 9.136 -0.332 1 1 484 . 15 1 1 A 43 43 ALA HA H 49 5.304 5.243 0.061 1 1 488 . 15 1 1 A 43 43 ALA C C 49 176.301 175.823 0.478 1 1 489 . 15 1 1 A 43 43 ALA CA C 49 51.004 51.242 -0.238 1 1 490 . 15 1 1 A 43 43 ALA CB C 49 23.453 23.843 -0.390 1 1 491 . 15 1 1 A 43 43 ALA N N 49 120.789 127.468 -6.679 1 1 492 . 15 1 1 A 44 44 ALA H H 50 8.117 8.608 -0.491 1 1 493 . 15 1 1 A 44 44 ALA HA H 50 4.485 4.584 -0.099 1 1 497 . 15 1 1 A 44 44 ALA C C 50 176.254 176.799 -0.545 1 1 498 . 15 1 1 A 44 44 ALA CA C 50 53.021 51.652 1.369 1 1 499 . 15 1 1 A 44 44 ALA CB C 50 23.682 22.123 1.559 1 1 500 . 15 1 1 A 44 44 ALA N N 50 120.678 119.767 0.911 1 1 501 . 15 1 1 A 45 45 GLN H H 51 9.035 9.373 -0.338 1 1 502 . 15 1 1 A 45 45 GLN HA H 51 3.774 3.933 -0.159 1 1 509 . 15 1 1 A 45 45 GLN C C 51 175.259 174.918 0.341 1 1 510 . 15 1 1 A 45 45 GLN CA C 51 56.074 56.715 -0.641 1 1 511 . 15 1 1 A 45 45 GLN CB C 51 27.339 27.639 -0.300 1 1 513 . 15 1 1 A 45 45 GLN N N 51 116.299 123.005 -6.706 1 1 515 . 15 1 1 A 46 46 GLY H H 52 8.441 8.468 -0.027 1 1 516 . 15 1 1 A 46 46 GLY HA2 H 52 4.066 3.829 0.237 1 1 517 . 15 1 1 A 46 46 GLY HA3 H 52 3.510 3.830 -0.320 1 1 518 . 15 1 1 A 46 46 GLY C C 52 173.050 173.715 -0.665 1 1 519 . 15 1 1 A 46 46 GLY CA C 52 44.998 45.217 -0.219 1 1 520 . 15 1 1 A 46 46 GLY N N 52 105.419 105.539 -0.120 1 1 521 . 15 1 1 A 47 47 ALA H H 53 8.152 7.563 0.589 1 1 522 . 15 1 1 A 47 47 ALA HA H 53 4.767 4.703 0.064 1 1 526 . 15 1 1 A 47 47 ALA C C 53 175.989 176.630 -0.641 1 1 527 . 15 1 1 A 47 47 ALA CA C 53 49.918 51.092 -1.174 1 1 528 . 15 1 1 A 47 47 ALA CB C 53 22.720 21.190 1.530 1 1 529 . 15 1 1 A 47 47 ALA N N 53 124.355 123.555 0.800 1 1 530 . 15 1 1 A 48 48 GLU H H 54 8.156 9.014 -0.858 1 1 531 . 15 1 1 A 48 48 GLU HA H 54 5.488 5.362 0.126 1 1 536 . 15 1 1 A 48 48 GLU C C 54 174.224 174.540 -0.316 1 1 537 . 15 1 1 A 48 48 GLU CA C 54 54.346 54.785 -0.439 1 1 538 . 15 1 1 A 48 48 GLU CB C 54 34.305 33.925 0.380 1 1 540 . 15 1 1 A 48 48 GLU N N 54 116.655 116.617 0.038 1 1 541 . 15 1 1 A 49 49 LYS H H 55 8.852 8.930 -0.078 1 1 542 . 15 1 1 A 49 49 LYS HA H 55 4.190 4.799 -0.609 1 1 549 . 15 1 1 A 49 49 LYS C C 55 172.887 174.555 -1.668 1 1 550 . 15 1 1 A 49 49 LYS CA C 55 56.414 54.379 2.035 1 1 551 . 15 1 1 A 49 49 LYS CB C 55 34.723 36.530 -1.807 1 1 554 . 15 1 1 A 49 49 LYS N N 55 122.922 121.238 1.684 1 1 555 . 15 1 1 A 50 50 THR H H 56 7.910 8.360 -0.450 1 1 556 . 15 1 1 A 50 50 THR HA H 56 4.908 5.084 -0.176 1 1 561 . 15 1 1 A 50 50 THR C C 56 173.112 172.804 0.308 1 1 562 . 15 1 1 A 50 50 THR CA C 56 61.998 61.399 0.599 1 1 563 . 15 1 1 A 50 50 THR CB C 56 68.596 70.786 -2.190 1 1 565 . 15 1 1 A 50 50 THR N N 56 120.811 114.964 5.847 1 1 566 . 15 1 1 A 51 51 TYR H H 57 9.432 9.151 0.281 1 1 567 . 15 1 1 A 51 51 TYR HA H 57 4.493 5.189 -0.696 1 1 574 . 15 1 1 A 51 51 TYR C C 57 174.156 175.214 -1.058 1 1 575 . 15 1 1 A 51 51 TYR CA C 57 57.375 55.874 1.501 1 1 576 . 15 1 1 A 51 51 TYR CB C 57 41.895 43.132 -1.237 1 1 577 . 15 1 1 A 51 51 TYR N N 57 127.372 124.038 3.334 1 1 578 . 15 1 1 A 52 52 GLY H H 58 9.154 8.659 0.495 1 1 579 . 15 1 1 A 52 52 GLY HA2 H 58 3.543 4.202 -0.659 1 1 580 . 15 1 1 A 52 52 GLY HA3 H 58 3.543 4.210 -0.667 1 1 581 . 15 1 1 A 52 52 GLY C C 58 172.527 173.698 -1.171 1 1 582 . 15 1 1 A 52 52 GLY CA C 58 42.304 46.003 -3.699 1 1 583 . 15 1 1 A 52 52 GLY N N 58 108.920 109.229 -0.309 1 1 584 . 15 1 1 A 53 53 ASN H H 59 8.877 8.918 -0.041 1 1 585 . 15 1 1 A 53 53 ASN HA H 59 4.034 4.359 -0.325 1 1 588 . 15 1 1 A 53 53 ASN C C 59 176.319 174.546 1.773 1 1 589 . 15 1 1 A 53 53 ASN CA C 59 57.108 54.078 3.030 1 1 590 . 15 1 1 A 53 53 ASN CB C 59 39.672 37.356 2.316 1 1 591 . 15 1 1 A 53 53 ASN N N 59 117.281 122.467 -5.186 1 1 592 . 15 1 1 A 54 54 GLY H H 60 8.949 8.555 0.394 1 1 593 . 15 1 1 A 54 54 GLY HA2 H 60 4.222 3.967 0.255 1 1 594 . 15 1 1 A 54 54 GLY HA3 H 60 3.348 4.007 -0.659 1 1 595 . 15 1 1 A 54 54 GLY C C 60 174.096 172.589 1.507 1 1 596 . 15 1 1 A 54 54 GLY CA C 60 44.931 44.548 0.383 1 1 597 . 15 1 1 A 54 54 GLY N N 60 114.860 105.093 9.767 1 1 598 . 15 1 1 A 55 55 ASP H H 61 7.991 8.715 -0.724 1 1 599 . 15 1 1 A 55 55 ASP HA H 61 4.493 5.268 -0.775 1 1 602 . 15 1 1 A 55 55 ASP C C 61 174.727 174.146 0.581 1 1 603 . 15 1 1 A 55 55 ASP CA C 61 54.408 52.335 2.073 1 1 604 . 15 1 1 A 55 55 ASP CB C 61 41.780 45.470 -3.690 1 1 605 . 15 1 1 A 55 55 ASP N N 61 121.974 123.239 -1.265 1 1 606 . 15 1 1 A 56 56 SER H H 62 8.485 8.900 -0.415 1 1 607 . 15 1 1 A 56 56 SER HA H 62 4.959 5.455 -0.496 1 1 610 . 15 1 1 A 56 56 SER C C 62 173.099 172.916 0.183 1 1 611 . 15 1 1 A 56 56 SER CA C 62 57.154 55.943 1.211 1 1 612 . 15 1 1 A 56 56 SER CB C 62 64.522 66.290 -1.768 1 1 613 . 15 1 1 A 56 56 SER N N 62 113.088 113.081 0.007 1 1 614 . 15 1 1 A 57 57 LEU H H 63 9.004 8.981 0.023 1 1 615 . 15 1 1 A 57 57 LEU HA H 63 4.500 4.983 -0.483 1 1 625 . 15 1 1 A 57 57 LEU C C 63 175.943 174.603 1.340 1 1 626 . 15 1 1 A 57 57 LEU CA C 63 53.070 53.980 -0.910 1 1 627 . 15 1 1 A 57 57 LEU CB C 63 43.800 46.099 -2.299 1 1 630 . 15 1 1 A 57 57 LEU N N 63 126.423 123.382 3.041 1 1 631 . 15 1 1 A 58 58 ASN H H 64 8.484 8.990 -0.506 1 1 632 . 15 1 1 A 58 58 ASN HA H 64 4.752 4.884 -0.132 1 1 635 . 15 1 1 A 58 58 ASN C C 64 173.916 176.098 -2.182 1 1 636 . 15 1 1 A 58 58 ASN CA C 64 50.587 53.399 -2.812 1 1 637 . 15 1 1 A 58 58 ASN CB C 64 35.153 38.854 -3.701 1 1 638 . 15 1 1 A 58 58 ASN N N 64 125.624 123.867 1.757 1 1 639 . 15 1 1 A 59 59 THR H H 65 7.747 8.724 -0.977 1 1 640 . 15 1 1 A 59 59 THR HA H 65 4.770 4.665 0.105 1 1 645 . 15 1 1 A 59 59 THR C C 65 177.245 175.204 2.041 1 1 646 . 15 1 1 A 59 59 THR CA C 65 63.213 61.971 1.242 1 1 647 . 15 1 1 A 59 59 THR CB C 65 63.510 71.379 -7.869 1 1 649 . 15 1 1 A 59 59 THR N N 65 113.770 113.666 0.104 1 1 650 . 15 1 1 A 60 60 GLY H H 66 8.869 8.413 0.456 1 1 651 . 15 1 1 A 60 60 GLY HA2 H 66 3.839 3.765 0.074 1 1 652 . 15 1 1 A 60 60 GLY HA3 H 66 3.724 3.773 -0.049 1 1 653 . 15 1 1 A 60 60 GLY C C 66 173.279 174.011 -0.732 1 1 654 . 15 1 1 A 60 60 GLY CA C 66 44.892 47.138 -2.246 1 1 655 . 15 1 1 A 60 60 GLY N N 66 114.430 111.911 2.519 1 1 656 . 15 1 1 A 61 61 LYS H H 67 6.376 8.445 -2.069 1 1 657 . 15 1 1 A 61 61 LYS HA H 67 4.021 4.814 -0.793 1 1 666 . 15 1 1 A 61 61 LYS C C 67 176.315 174.961 1.354 1 1 667 . 15 1 1 A 61 61 LYS CA C 67 54.298 54.925 -0.627 1 1 668 . 15 1 1 A 61 61 LYS CB C 67 32.200 34.402 -2.202 1 1 672 . 15 1 1 A 61 61 LYS N N 67 112.620 125.175 -12.555 1 1 673 . 15 1 1 A 62 62 LEU H H 68 7.335 8.983 -1.648 1 1 674 . 15 1 1 A 62 62 LEU HA H 68 4.275 4.736 -0.461 1 1 684 . 15 1 1 A 62 62 LEU C C 68 176.306 175.300 1.006 1 1 685 . 15 1 1 A 62 62 LEU CA C 68 52.479 53.659 -1.180 1 1 686 . 15 1 1 A 62 62 LEU CB C 68 40.600 43.600 -3.000 1 1 689 . 15 1 1 A 62 62 LEU N N 68 116.704 127.154 -10.450 1 1 690 . 15 1 1 A 63 63 LYS H H 69 8.506 8.511 -0.005 1 1 691 . 15 1 1 A 63 63 LYS HA H 69 3.992 4.742 -0.750 1 1 700 . 15 1 1 A 63 63 LYS C C 69 175.886 175.997 -0.111 1 1 701 . 15 1 1 A 63 63 LYS CA C 69 54.986 55.293 -0.307 1 1 702 . 15 1 1 A 63 63 LYS CB C 69 32.447 34.812 -2.365 1 1 706 . 15 1 1 A 63 63 LYS N N 69 119.841 122.336 -2.495 1 1 707 . 15 1 1 A 64 64 ASN H H 70 8.080 8.818 -0.738 1 1 708 . 15 1 1 A 64 64 ASN HA H 70 3.839 4.424 -0.585 1 1 713 . 15 1 1 A 64 64 ASN C C 70 174.449 174.555 -0.106 1 1 714 . 15 1 1 A 64 64 ASN CA C 70 54.417 55.344 -0.927 1 1 715 . 15 1 1 A 64 64 ASN CB C 70 38.129 37.621 0.508 1 1 716 . 15 1 1 A 64 64 ASN N N 70 121.515 122.807 -1.292 1 1 718 . 15 1 1 A 65 65 ASP H H 71 9.218 8.404 0.814 1 1 719 . 15 1 1 A 65 65 ASP HA H 71 3.690 5.330 -1.640 1 1 722 . 15 1 1 A 65 65 ASP C C 71 173.016 174.346 -1.330 1 1 723 . 15 1 1 A 65 65 ASP CA C 71 54.726 53.937 0.789 1 1 724 . 15 1 1 A 65 65 ASP CB C 71 38.534 42.204 -3.670 1 1 725 . 15 1 1 A 65 65 ASP N N 71 113.370 119.288 -5.918 1 1 726 . 15 1 1 A 66 66 LYS H H 72 6.443 8.832 -2.389 1 1 727 . 15 1 1 A 66 66 LYS HA H 72 4.411 4.890 -0.479 1 1 734 . 15 1 1 A 66 66 LYS C C 72 174.745 174.756 -0.011 1 1 735 . 15 1 1 A 66 66 LYS CA C 72 53.094 54.479 -1.385 1 1 736 . 15 1 1 A 66 66 LYS CB C 72 36.099 36.268 -0.169 1 1 739 . 15 1 1 A 66 66 LYS N N 72 113.415 123.177 -9.762 1 1 740 . 15 1 1 A 67 67 VAL H H 73 8.679 8.151 0.528 1 1 741 . 15 1 1 A 67 67 VAL HA H 73 4.189 4.184 0.005 1 1 749 . 15 1 1 A 67 67 VAL C C 73 176.630 175.337 1.293 1 1 750 . 15 1 1 A 67 67 VAL CA C 73 62.135 60.894 1.241 1 1 751 . 15 1 1 A 67 67 VAL CB C 73 32.001 32.407 -0.406 1 1 753 . 15 1 1 A 67 67 VAL N N 73 122.098 118.493 3.605 1 1 754 . 15 1 1 A 68 68 SER H H 74 9.497 9.033 0.464 1 1 755 . 15 1 1 A 68 68 SER HA H 74 4.507 4.623 -0.116 1 1 758 . 15 1 1 A 68 68 SER C C 74 172.249 173.956 -1.707 1 1 759 . 15 1 1 A 68 68 SER CA C 74 58.323 58.449 -0.126 1 1 760 . 15 1 1 A 68 68 SER CB C 74 64.028 63.888 0.140 1 1 761 . 15 1 1 A 68 68 SER N N 74 127.048 123.962 3.086 1 1 762 . 15 1 1 A 69 69 ARG H H 75 7.848 8.228 -0.380 1 1 763 . 15 1 1 A 69 69 ARG HA H 75 5.031 4.445 0.586 1 1 770 . 15 1 1 A 69 69 ARG C C 75 173.300 175.568 -2.268 1 1 771 . 15 1 1 A 69 69 ARG CA C 75 55.337 55.800 -0.463 1 1 772 . 15 1 1 A 69 69 ARG CB C 75 31.871 30.575 1.296 1 1 775 . 15 1 1 A 69 69 ARG N N 75 122.621 124.697 -2.076 1 1 776 . 15 1 1 A 70 70 PHE H H 76 9.246 8.725 0.521 1 1 777 . 15 1 1 A 70 70 PHE HA H 76 4.808 5.097 -0.289 1 1 784 . 15 1 1 A 70 70 PHE C C 76 175.788 173.846 1.942 1 1 785 . 15 1 1 A 70 70 PHE CA C 76 55.245 56.653 -1.408 1 1 786 . 15 1 1 A 70 70 PHE CB C 76 43.645 44.221 -0.576 1 1 787 . 15 1 1 A 70 70 PHE N N 76 118.087 121.010 -2.923 1 1 788 . 15 1 1 A 71 71 ASP H H 77 9.144 9.042 0.102 1 1 789 . 15 1 1 A 71 71 ASP HA H 77 5.360 5.622 -0.262 1 1 792 . 15 1 1 A 71 71 ASP C C 77 176.477 174.970 1.507 1 1 793 . 15 1 1 A 71 71 ASP CA C 77 55.131 53.010 2.121 1 1 794 . 15 1 1 A 71 71 ASP CB C 77 41.301 44.775 -3.474 1 1 795 . 15 1 1 A 71 71 ASP N N 77 123.565 122.035 1.530 1 1 796 . 15 1 1 A 72 72 PHE H H 78 9.094 8.449 0.645 1 1 797 . 15 1 1 A 72 72 PHE HA H 78 6.431 5.502 0.929 1 1 805 . 15 1 1 A 72 72 PHE C C 78 174.014 173.000 1.014 1 1 806 . 15 1 1 A 72 72 PHE CA C 78 54.934 56.069 -1.135 1 1 807 . 15 1 1 A 72 72 PHE CB C 78 42.491 42.797 -0.306 1 1 808 . 15 1 1 A 72 72 PHE N N 78 119.663 120.065 -0.402 1 1 809 . 15 1 1 A 73 73 ILE H H 79 8.623 8.937 -0.314 1 1 810 . 15 1 1 A 73 73 ILE HA H 79 4.334 5.219 -0.885 1 1 820 . 15 1 1 A 73 73 ILE C C 79 173.961 173.954 0.007 1 1 821 . 15 1 1 A 73 73 ILE CA C 79 61.222 59.127 2.095 1 1 822 . 15 1 1 A 73 73 ILE CB C 79 41.918 41.363 0.555 1 1 826 . 15 1 1 A 73 73 ILE N N 79 119.750 117.340 2.410 1 1 827 . 15 1 1 A 74 74 ARG H H 80 9.052 9.460 -0.408 1 1 828 . 15 1 1 A 74 74 ARG HA H 80 5.311 5.458 -0.147 1 1 835 . 15 1 1 A 74 74 ARG C C 80 174.870 174.630 0.240 1 1 836 . 15 1 1 A 74 74 ARG CA C 80 54.449 54.553 -0.104 1 1 837 . 15 1 1 A 74 74 ARG CB C 80 33.740 33.894 -0.154 1 1 840 . 15 1 1 A 74 74 ARG N N 80 128.407 123.905 4.502 1 1 841 . 15 1 1 A 75 75 GLN H H 81 9.304 9.041 0.263 1 1 842 . 15 1 1 A 75 75 GLN HA H 81 5.562 5.181 0.381 1 1 849 . 15 1 1 A 75 75 GLN C C 81 173.678 174.092 -0.414 1 1 850 . 15 1 1 A 75 75 GLN CA C 81 53.745 54.786 -1.041 1 1 851 . 15 1 1 A 75 75 GLN CB C 81 34.013 32.736 1.277 1 1 853 . 15 1 1 A 75 75 GLN N N 81 125.481 125.659 -0.178 1 1 855 . 15 1 1 A 76 76 ILE H H 82 8.592 8.785 -0.193 1 1 856 . 15 1 1 A 76 76 ILE HA H 82 4.576 4.822 -0.246 1 1 866 . 15 1 1 A 76 76 ILE C C 82 172.511 173.176 -0.665 1 1 867 . 15 1 1 A 76 76 ILE CA C 82 59.622 59.022 0.600 1 1 868 . 15 1 1 A 76 76 ILE CB C 82 42.248 41.710 0.538 1 1 872 . 15 1 1 A 76 76 ILE N N 82 115.536 123.131 -7.595 1 1 873 . 15 1 1 A 77 77 GLU H H 83 8.433 8.527 -0.094 1 1 874 . 15 1 1 A 77 77 GLU HA H 83 4.936 4.623 0.313 1 1 879 . 15 1 1 A 77 77 GLU C C 83 175.614 175.343 0.271 1 1 880 . 15 1 1 A 77 77 GLU CA C 83 54.812 56.207 -1.395 1 1 881 . 15 1 1 A 77 77 GLU CB C 83 30.465 30.532 -0.067 1 1 883 . 15 1 1 A 77 77 GLU N N 83 124.858 126.855 -1.997 1 1 884 . 15 1 1 A 78 78 VAL H H 84 8.879 8.760 0.119 1 1 885 . 15 1 1 A 78 78 VAL HA H 84 4.076 4.430 -0.354 1 1 893 . 15 1 1 A 78 78 VAL C C 84 175.694 175.608 0.086 1 1 894 . 15 1 1 A 78 78 VAL CA C 84 61.382 61.168 0.214 1 1 895 . 15 1 1 A 78 78 VAL CB C 84 34.014 33.240 0.774 1 1 897 . 15 1 1 A 78 78 VAL N N 84 126.973 127.679 -0.706 1 1 898 . 15 1 1 A 79 79 ASP H H 85 9.329 9.534 -0.205 1 1 899 . 15 1 1 A 79 79 ASP HA H 85 4.156 4.347 -0.191 1 1 902 . 15 1 1 A 79 79 ASP C C 85 175.774 176.361 -0.587 1 1 903 . 15 1 1 A 79 79 ASP CA C 85 55.125 55.688 -0.563 1 1 904 . 15 1 1 A 79 79 ASP CB C 85 38.926 39.583 -0.657 1 1 905 . 15 1 1 A 79 79 ASP N N 85 129.387 129.907 -0.520 1 1 906 . 15 1 1 A 80 80 GLY H H 86 8.575 8.651 -0.076 1 1 907 . 15 1 1 A 80 80 GLY HA2 H 86 3.992 3.856 0.136 1 1 908 . 15 1 1 A 80 80 GLY HA3 H 86 3.507 3.856 -0.349 1 1 909 . 15 1 1 A 80 80 GLY C C 86 173.366 173.746 -0.380 1 1 910 . 15 1 1 A 80 80 GLY CA C 86 44.759 45.427 -0.668 1 1 911 . 15 1 1 A 80 80 GLY N N 86 103.293 104.386 -1.093 1 1 912 . 15 1 1 A 81 81 GLN H H 87 7.751 8.103 -0.352 1 1 913 . 15 1 1 A 81 81 GLN HA H 87 4.482 4.750 -0.268 1 1 918 . 15 1 1 A 81 81 GLN C C 87 173.874 174.340 -0.466 1 1 919 . 15 1 1 A 81 81 GLN CA C 87 53.328 54.249 -0.921 1 1 920 . 15 1 1 A 81 81 GLN CB C 87 30.670 31.383 -0.713 1 1 922 . 15 1 1 A 81 81 GLN N N 87 119.688 119.314 0.374 1 1 923 . 15 1 1 A 82 82 LEU H H 88 8.418 8.452 -0.034 1 1 924 . 15 1 1 A 82 82 LEU HA H 88 4.630 4.751 -0.121 1 1 934 . 15 1 1 A 82 82 LEU C C 88 176.289 174.701 1.588 1 1 935 . 15 1 1 A 82 82 LEU CA C 88 53.834 54.246 -0.412 1 1 936 . 15 1 1 A 82 82 LEU CB C 88 41.737 43.548 -1.811 1 1 940 . 15 1 1 A 82 82 LEU N N 88 123.523 123.632 -0.109 1 1 941 . 15 1 1 A 83 83 ILE H H 89 9.146 8.840 0.306 1 1 942 . 15 1 1 A 83 83 ILE HA H 89 4.249 4.890 -0.641 1 1 952 . 15 1 1 A 83 83 ILE C C 89 175.698 175.343 0.355 1 1 953 . 15 1 1 A 83 83 ILE CA C 89 59.363 59.850 -0.487 1 1 954 . 15 1 1 A 83 83 ILE CB C 89 39.633 41.469 -1.836 1 1 958 . 15 1 1 A 83 83 ILE N N 89 127.151 129.388 -2.237 1 1 959 . 15 1 1 A 84 84 THR H H 90 8.656 8.715 -0.059 1 1 960 . 15 1 1 A 84 84 THR HA H 90 4.203 4.406 -0.203 1 1 965 . 15 1 1 A 84 84 THR C C 90 172.890 175.061 -2.171 1 1 966 . 15 1 1 A 84 84 THR CA C 90 62.641 62.862 -0.221 1 1 967 . 15 1 1 A 84 84 THR CB C 90 68.634 69.225 -0.591 1 1 969 . 15 1 1 A 84 84 THR N N 90 123.099 121.948 1.151 1 1 970 . 15 1 1 A 85 85 LEU H H 91 8.967 8.405 0.562 1 1 971 . 15 1 1 A 85 85 LEU HA H 91 4.256 4.296 -0.040 1 1 980 . 15 1 1 A 85 85 LEU C C 91 177.371 177.162 0.209 1 1 981 . 15 1 1 A 85 85 LEU CA C 91 55.527 54.732 0.795 1 1 982 . 15 1 1 A 85 85 LEU CB C 91 44.315 43.058 1.257 1 1 984 . 15 1 1 A 85 85 LEU N N 91 125.333 124.455 0.878 1 1 985 . 15 1 1 A 86 86 GLU H H 92 7.503 8.942 -1.439 1 1 986 . 15 1 1 A 86 86 GLU HA H 92 5.026 5.339 -0.313 1 1 991 . 15 1 1 A 86 86 GLU C C 92 172.723 175.479 -2.756 1 1 992 . 15 1 1 A 86 86 GLU CA C 92 54.670 54.525 0.145 1 1 993 . 15 1 1 A 86 86 GLU CB C 92 33.717 33.411 0.306 1 1 995 . 15 1 1 A 86 86 GLU N N 92 116.655 118.343 -1.688 1 1 996 . 15 1 1 A 87 87 SER H H 93 8.954 8.268 0.686 1 1 997 . 15 1 1 A 87 87 SER HA H 93 4.245 4.843 -0.598 1 1 1000 . 15 1 1 A 87 87 SER C C 93 172.763 172.878 -0.115 1 1 1001 . 15 1 1 A 87 87 SER CA C 93 57.328 56.900 0.428 1 1 1002 . 15 1 1 A 87 87 SER CB C 93 65.493 66.190 -0.697 1 1 1003 . 15 1 1 A 87 87 SER N N 93 117.941 113.863 4.078 1 1 1004 . 15 1 1 A 88 88 GLY H H 94 6.932 6.807 0.125 1 1 1005 . 15 1 1 A 88 88 GLY HA2 H 94 3.694 4.112 -0.418 1 1 1006 . 15 1 1 A 88 88 GLY HA3 H 94 3.694 4.147 -0.453 1 1 1007 . 15 1 1 A 88 88 GLY C C 94 171.117 171.514 -0.397 1 1 1008 . 15 1 1 A 88 88 GLY CA C 94 46.575 45.805 0.770 1 1 1009 . 15 1 1 A 88 88 GLY N N 94 108.625 107.249 1.376 1 1 1010 . 15 1 1 A 89 89 GLU H H 95 9.669 8.841 0.828 1 1 1011 . 15 1 1 A 89 89 GLU HA H 95 5.642 4.923 0.719 1 1 1016 . 15 1 1 A 89 89 GLU C C 95 173.226 175.091 -1.865 1 1 1017 . 15 1 1 A 89 89 GLU CA C 95 54.786 56.209 -1.423 1 1 1018 . 15 1 1 A 89 89 GLU CB C 95 34.334 30.435 3.899 1 1 1020 . 15 1 1 A 89 89 GLU N N 95 128.231 120.580 7.651 1 1 1021 . 15 1 1 A 90 90 PHE H H 96 10.365 9.412 0.953 1 1 1022 . 15 1 1 A 90 90 PHE HA H 96 5.048 4.397 0.651 1 1 1029 . 15 1 1 A 90 90 PHE C C 96 173.039 174.014 -0.975 1 1 1030 . 15 1 1 A 90 90 PHE CA C 96 54.616 56.972 -2.356 1 1 1031 . 15 1 1 A 90 90 PHE CB C 96 42.090 39.083 3.007 1 1 1032 . 15 1 1 A 90 90 PHE N N 96 131.583 127.151 4.432 1 1 1033 . 15 1 1 A 91 91 GLN H H 97 8.685 8.645 0.040 1 1 1034 . 15 1 1 A 91 91 GLN HA H 97 4.959 4.789 0.170 1 1 1041 . 15 1 1 A 91 91 GLN C C 97 174.151 174.625 -0.474 1 1 1042 . 15 1 1 A 91 91 GLN CA C 97 53.174 54.784 -1.610 1 1 1043 . 15 1 1 A 91 91 GLN CB C 97 28.812 30.279 -1.467 1 1 1045 . 15 1 1 A 91 91 GLN N N 97 126.465 127.982 -1.517 1 1 1047 . 15 1 1 A 92 92 VAL H H 98 8.675 8.997 -0.322 1 1 1048 . 15 1 1 A 92 92 VAL HA H 98 4.569 4.519 0.050 1 1 1056 . 15 1 1 A 92 92 VAL C C 98 173.802 174.522 -0.720 1 1 1057 . 15 1 1 A 92 92 VAL CA C 98 59.715 61.415 -1.700 1 1 1058 . 15 1 1 A 92 92 VAL CB C 98 35.074 33.251 1.823 1 1 1061 . 15 1 1 A 92 92 VAL N N 98 118.841 127.206 -8.365 1 1 1062 . 15 1 1 A 93 93 TYR H H 99 8.896 9.187 -0.291 1 1 1063 . 15 1 1 A 93 93 TYR HA H 99 4.940 4.805 0.135 1 1 1070 . 15 1 1 A 93 93 TYR C C 99 173.330 174.672 -1.342 1 1 1071 . 15 1 1 A 93 93 TYR CA C 99 56.948 58.218 -1.270 1 1 1072 . 15 1 1 A 93 93 TYR CB C 99 40.780 39.746 1.034 1 1 1073 . 15 1 1 A 93 93 TYR N N 99 127.563 128.680 -1.117 1 1 1074 . 15 1 1 A 94 94 LYS H H 100 5.813 9.444 -3.631 1 1 1075 . 15 1 1 A 94 94 LYS HA H 100 4.248 5.213 -0.965 1 1 1082 . 15 1 1 A 94 94 LYS CA C 100 55.660 54.763 0.897 1 1 1083 . 15 1 1 A 94 94 LYS CB C 100 35.870 35.392 0.478 1 1 1084 . 15 1 1 A 94 94 LYS N N 100 128.378 124.687 3.691 1 1 1085 . 15 1 1 A 95 95 GLN H H 101 8.438 8.750 -0.312 1 1 1086 . 15 1 1 A 95 95 GLN HA H 101 5.028 4.832 0.196 1 1 1091 . 15 1 1 A 95 95 GLN C C 101 174.080 175.457 -1.377 1 1 1092 . 15 1 1 A 95 95 GLN CA C 101 54.043 54.121 -0.078 1 1 1093 . 15 1 1 A 95 95 GLN CB C 101 27.209 32.248 -5.039 1 1 1095 . 15 1 1 A 95 95 GLN N N 101 125.809 125.429 0.380 1 1 1096 . 15 1 1 A 96 96 SER H H 102 9.057 8.557 0.500 1 1 1097 . 15 1 1 A 96 96 SER HA H 102 3.041 4.104 -1.063 1 1 1100 . 15 1 1 A 96 96 SER CA C 102 62.985 59.212 3.773 1 1 1101 . 15 1 1 A 96 96 SER CB C 102 63.242 63.322 -0.080 1 1 1102 . 15 1 1 A 96 96 SER N N 102 117.650 117.279 0.371 1 1 1103 . 15 1 1 A 97 97 HIS H H 103 10.115 8.100 2.015 1 1 1104 . 15 1 1 A 97 97 HIS HA H 103 4.406 4.099 0.307 1 1 1109 . 15 1 1 A 97 97 HIS CA C 103 53.809 57.574 -3.765 1 1 1110 . 15 1 1 A 97 97 HIS CB C 103 30.329 27.755 2.574 1 1 1111 . 15 1 1 A 97 97 HIS N N 103 118.385 117.880 0.505 1 1 1112 . 15 1 1 A 98 98 SER H H 104 7.241 7.592 -0.351 1 1 1113 . 15 1 1 A 98 98 SER HA H 104 4.406 4.941 -0.535 1 1 1116 . 15 1 1 A 98 98 SER CA C 104 56.712 57.220 -0.508 1 1 1117 . 15 1 1 A 98 98 SER CB C 104 65.461 66.031 -0.570 1 1 1118 . 15 1 1 A 98 98 SER N N 104 112.298 111.199 1.099 1 1 1119 . 15 1 1 A 99 99 ALA H H 105 8.418 8.680 -0.262 1 1 1120 . 15 1 1 A 99 99 ALA HA H 105 4.753 5.077 -0.324 1 1 1124 . 15 1 1 A 99 99 ALA C C 105 173.181 175.801 -2.620 1 1 1125 . 15 1 1 A 99 99 ALA CA C 105 51.363 51.742 -0.379 1 1 1126 . 15 1 1 A 99 99 ALA CB C 105 22.271 23.364 -1.093 1 1 1127 . 15 1 1 A 99 99 ALA N N 105 116.790 121.622 -4.832 1 1 1128 . 15 1 1 A 100 100 LEU H H 106 8.376 8.406 -0.030 1 1 1129 . 15 1 1 A 100 100 LEU HA H 106 5.549 5.150 0.399 1 1 1139 . 15 1 1 A 100 100 LEU C C 106 175.338 174.782 0.556 1 1 1140 . 15 1 1 A 100 100 LEU CA C 106 53.753 53.691 0.062 1 1 1141 . 15 1 1 A 100 100 LEU CB C 106 46.393 46.078 0.315 1 1 1145 . 15 1 1 A 100 100 LEU N N 106 115.214 116.560 -1.346 1 1 1146 . 15 1 1 A 101 101 THR H H 107 8.685 8.294 0.391 1 1 1147 . 15 1 1 A 101 101 THR HA H 107 5.287 5.135 0.152 1 1 1152 . 15 1 1 A 101 101 THR C C 107 172.493 172.730 -0.237 1 1 1153 . 15 1 1 A 101 101 THR CA C 107 57.069 59.669 -2.600 1 1 1154 . 15 1 1 A 101 101 THR CB C 107 71.308 71.719 -0.411 1 1 1156 . 15 1 1 A 101 101 THR N N 107 109.441 115.494 -6.053 1 1 1157 . 15 1 1 A 102 102 ALA H H 108 8.459 8.206 0.253 1 1 1158 . 15 1 1 A 102 102 ALA HA H 108 4.366 5.275 -0.909 1 1 1162 . 15 1 1 A 102 102 ALA C C 108 173.439 176.063 -2.624 1 1 1163 . 15 1 1 A 102 102 ALA CA C 108 51.015 50.854 0.161 1 1 1164 . 15 1 1 A 102 102 ALA CB C 108 23.424 23.894 -0.470 1 1 1165 . 15 1 1 A 102 102 ALA N N 108 120.716 126.220 -5.504 1 1 1166 . 15 1 1 A 103 103 PHE H H 109 8.510 9.117 -0.607 1 1 1167 . 15 1 1 A 103 103 PHE HA H 109 4.715 5.427 -0.712 1 1 1175 . 15 1 1 A 103 103 PHE C C 109 174.173 175.462 -1.289 1 1 1176 . 15 1 1 A 103 103 PHE CA C 109 56.640 56.422 0.218 1 1 1177 . 15 1 1 A 103 103 PHE CB C 109 41.926 42.005 -0.079 1 1 1178 . 15 1 1 A 103 103 PHE N N 109 115.041 118.551 -3.510 1 1 1179 . 15 1 1 A 104 104 GLN H H 110 9.832 9.069 0.763 1 1 1180 . 15 1 1 A 104 104 GLN HA H 110 5.226 5.031 0.195 1 1 1187 . 15 1 1 A 104 104 GLN C C 110 175.186 174.631 0.555 1 1 1188 . 15 1 1 A 104 104 GLN CA C 110 53.213 55.062 -1.849 1 1 1189 . 15 1 1 A 104 104 GLN CB C 110 29.161 29.991 -0.830 1 1 1191 . 15 1 1 A 104 104 GLN N N 110 124.526 121.533 2.993 1 1 1193 . 15 1 1 A 105 105 THR H H 111 9.566 8.422 1.144 1 1 1194 . 15 1 1 A 105 105 THR HA H 111 4.186 4.646 -0.460 1 1 1199 . 15 1 1 A 105 105 THR C C 111 174.538 174.067 0.471 1 1 1200 . 15 1 1 A 105 105 THR CA C 111 66.408 61.068 5.340 1 1 1201 . 15 1 1 A 105 105 THR CB C 111 69.385 70.231 -0.846 1 1 1203 . 15 1 1 A 105 105 THR N N 111 126.760 118.416 8.344 1 1 1204 . 15 1 1 A 106 106 GLU H H 112 9.303 8.732 0.571 1 1 1205 . 15 1 1 A 106 106 GLU HA H 112 4.811 4.765 0.046 1 1 1210 . 15 1 1 A 106 106 GLU C C 112 177.397 176.419 0.978 1 1 1211 . 15 1 1 A 106 106 GLU CA C 112 56.227 57.022 -0.795 1 1 1212 . 15 1 1 A 106 106 GLU CB C 112 31.283 32.331 -1.048 1 1 1214 . 15 1 1 A 106 106 GLU N N 112 121.685 124.531 -2.846 1 1 1215 . 15 1 1 A 107 107 GLN H H 113 7.954 7.788 0.166 1 1 1216 . 15 1 1 A 107 107 GLN HA H 113 5.233 4.948 0.285 1 1 1221 . 15 1 1 A 107 107 GLN C C 113 173.999 174.327 -0.328 1 1 1222 . 15 1 1 A 107 107 GLN CA C 113 53.837 54.637 -0.800 1 1 1223 . 15 1 1 A 107 107 GLN CB C 113 32.543 30.651 1.892 1 1 1225 . 15 1 1 A 107 107 GLN N N 113 117.612 117.439 0.173 1 1 1226 . 15 1 1 A 108 108 ILE H H 114 8.969 8.752 0.217 1 1 1227 . 15 1 1 A 108 108 ILE HA H 114 4.907 4.863 0.044 1 1 1237 . 15 1 1 A 108 108 ILE C C 114 174.089 173.394 0.695 1 1 1238 . 15 1 1 A 108 108 ILE CA C 114 58.954 59.130 -0.176 1 1 1239 . 15 1 1 A 108 108 ILE CB C 114 42.799 42.225 0.574 1 1 1243 . 15 1 1 A 108 108 ILE N N 114 115.049 123.370 -8.321 1 1 1244 . 15 1 1 A 109 109 GLN H H 115 7.421 8.608 -1.187 1 1 1245 . 15 1 1 A 109 109 GLN HA H 115 4.405 4.724 -0.319 1 1 1252 . 15 1 1 A 109 109 GLN C C 115 175.654 174.530 1.124 1 1 1253 . 15 1 1 A 109 109 GLN CA C 115 56.086 54.880 1.206 1 1 1254 . 15 1 1 A 109 109 GLN CB C 115 28.483 29.930 -1.447 1 1 1256 . 15 1 1 A 109 109 GLN N N 115 121.959 128.067 -6.108 1 1 1258 . 15 1 1 A 110 110 ASP H H 116 8.569 9.314 -0.745 1 1 1259 . 15 1 1 A 110 110 ASP HA H 116 4.377 4.625 -0.248 1 1 1262 . 15 1 1 A 110 110 ASP C C 116 176.662 176.861 -0.199 1 1 1263 . 15 1 1 A 110 110 ASP CA C 116 53.511 53.340 0.171 1 1 1264 . 15 1 1 A 110 110 ASP CB C 116 41.187 38.952 2.235 1 1 1265 . 15 1 1 A 110 110 ASP N N 116 125.621 127.665 -2.044 1 1 1266 . 15 1 1 A 111 111 SER H H 117 8.445 8.369 0.076 1 1 1267 . 15 1 1 A 111 111 SER HA H 117 4.024 4.275 -0.251 1 1 1270 . 15 1 1 A 111 111 SER C C 117 174.783 175.031 -0.248 1 1 1271 . 15 1 1 A 111 111 SER CA C 117 60.782 59.365 1.417 1 1 1272 . 15 1 1 A 111 111 SER CB C 117 62.560 62.231 0.329 1 1 1273 . 15 1 1 A 111 111 SER N N 117 120.732 118.847 1.885 1 1 1274 . 15 1 1 A 112 112 GLU H H 118 8.246 8.194 0.052 1 1 1275 . 15 1 1 A 112 112 GLU HA H 118 4.044 4.508 -0.464 1 1 1280 . 15 1 1 A 112 112 GLU C C 118 175.899 177.602 -1.703 1 1 1281 . 15 1 1 A 112 112 GLU CA C 118 56.016 56.500 -0.484 1 1 1282 . 15 1 1 A 112 112 GLU CB C 118 29.853 31.910 -2.057 1 1 1284 . 15 1 1 A 112 112 GLU N N 118 119.367 118.812 0.555 1 1 1285 . 15 1 1 A 113 113 HIS H H 119 7.418 8.156 -0.738 1 1 1286 . 15 1 1 A 113 113 HIS HA H 119 4.607 4.411 0.196 1 1 1291 . 15 1 1 A 113 113 HIS C C 119 173.527 176.343 -2.816 1 1 1292 . 15 1 1 A 113 113 HIS CA C 119 54.515 58.206 -3.691 1 1 1293 . 15 1 1 A 113 113 HIS CB C 119 28.667 30.241 -1.574 1 1 1294 . 15 1 1 A 113 113 HIS N N 119 117.287 117.928 -0.641 1 1 1295 . 15 1 1 A 114 114 SER H H 120 8.398 7.367 1.031 1 1 1296 . 15 1 1 A 114 114 SER HA H 120 4.183 4.581 -0.398 1 1 1299 . 15 1 1 A 114 114 SER C C 120 175.690 173.815 1.875 1 1 1300 . 15 1 1 A 114 114 SER CA C 120 59.149 57.423 1.726 1 1 1301 . 15 1 1 A 114 114 SER CB C 120 62.820 63.662 -0.842 1 1 1302 . 15 1 1 A 114 114 SER N N 120 116.771 111.434 5.337 1 1 1303 . 15 1 1 A 115 115 GLY H H 121 8.733 8.228 0.505 1 1 1304 . 15 1 1 A 115 115 GLY HA2 H 121 4.052 3.942 0.110 1 1 1305 . 15 1 1 A 115 115 GLY HA3 H 121 3.724 3.948 -0.224 1 1 1306 . 15 1 1 A 115 115 GLY C C 121 173.540 173.888 -0.348 1 1 1307 . 15 1 1 A 115 115 GLY CA C 121 44.692 46.355 -1.663 1 1 1308 . 15 1 1 A 115 115 GLY N N 121 112.197 108.599 3.598 1 1 1309 . 15 1 1 A 116 116 LYS H H 122 7.796 7.405 0.391 1 1 1310 . 15 1 1 A 116 116 LYS HA H 122 4.465 4.943 -0.478 1 1 1317 . 15 1 1 A 116 116 LYS C C 122 175.090 175.049 0.041 1 1 1318 . 15 1 1 A 116 116 LYS CA C 122 55.122 54.258 0.864 1 1 1319 . 15 1 1 A 116 116 LYS CB C 122 33.861 36.164 -2.303 1 1 1322 . 15 1 1 A 116 116 LYS N N 122 120.212 119.112 1.100 1 1 1323 . 15 1 1 A 117 117 MET H H 123 8.348 9.123 -0.775 1 1 1324 . 15 1 1 A 117 117 MET HA H 123 5.082 5.508 -0.426 1 1 1332 . 15 1 1 A 117 117 MET C C 123 176.210 174.356 1.854 1 1 1333 . 15 1 1 A 117 117 MET CA C 123 52.928 53.482 -0.554 1 1 1334 . 15 1 1 A 117 117 MET CB C 123 33.841 35.330 -1.489 1 1 1337 . 15 1 1 A 117 117 MET N N 123 119.755 117.532 2.223 1 1 1338 . 15 1 1 A 118 118 VAL H H 124 9.242 8.703 0.539 1 1 1339 . 15 1 1 A 118 118 VAL HA H 124 4.469 4.647 -0.178 1 1 1347 . 15 1 1 A 118 118 VAL C C 124 173.967 173.319 0.648 1 1 1348 . 15 1 1 A 118 118 VAL CA C 124 59.056 60.453 -1.397 1 1 1349 . 15 1 1 A 118 118 VAL CB C 124 34.376 35.150 -0.774 1 1 1351 . 15 1 1 A 118 118 VAL N N 124 118.546 119.534 -0.988 1 1 1352 . 15 1 1 A 119 119 ALA H H 125 8.327 8.755 -0.428 1 1 1353 . 15 1 1 A 119 119 ALA HA H 125 4.624 4.646 -0.022 1 1 1357 . 15 1 1 A 119 119 ALA C C 125 177.165 177.327 -0.162 1 1 1358 . 15 1 1 A 119 119 ALA CA C 125 52.043 53.027 -0.984 1 1 1359 . 15 1 1 A 119 119 ALA CB C 125 18.232 19.212 -0.980 1 1 1360 . 15 1 1 A 119 119 ALA N N 125 125.947 130.780 -4.833 1 1 1361 . 15 1 1 A 120 120 LYS H H 126 7.604 8.664 -1.060 1 1 1362 . 15 1 1 A 120 120 LYS HA H 126 4.046 4.844 -0.798 1 1 1371 . 15 1 1 A 120 120 LYS C C 126 172.631 175.841 -3.210 1 1 1372 . 15 1 1 A 120 120 LYS CA C 126 56.023 54.666 1.357 1 1 1373 . 15 1 1 A 120 120 LYS CB C 126 34.482 35.682 -1.200 1 1 1377 . 15 1 1 A 120 120 LYS N N 126 126.149 123.061 3.088 1 1 1378 . 15 1 1 A 121 121 ARG H H 127 8.308 8.682 -0.374 1 1 1379 . 15 1 1 A 121 121 ARG HA H 127 4.901 4.601 0.300 1 1 1384 . 15 1 1 A 121 121 ARG C C 127 176.253 175.324 0.929 1 1 1385 . 15 1 1 A 121 121 ARG CA C 127 55.564 55.527 0.037 1 1 1386 . 15 1 1 A 121 121 ARG CB C 127 28.273 28.722 -0.449 1 1 1388 . 15 1 1 A 121 121 ARG N N 127 122.760 123.797 -1.037 1 1 1389 . 15 1 1 A 122 122 GLN H H 128 7.529 8.964 -1.435 1 1 1390 . 15 1 1 A 122 122 GLN HA H 128 4.541 4.712 -0.171 1 1 1397 . 15 1 1 A 122 122 GLN C C 128 172.163 175.125 -2.962 1 1 1398 . 15 1 1 A 122 122 GLN CA C 128 54.218 55.227 -1.009 1 1 1399 . 15 1 1 A 122 122 GLN CB C 128 32.064 28.558 3.506 1 1 1401 . 15 1 1 A 122 122 GLN N N 128 121.022 124.591 -3.569 1 1 1403 . 15 1 1 A 123 123 PHE H H 129 8.620 8.982 -0.362 1 1 1404 . 15 1 1 A 123 123 PHE HA H 129 6.040 5.946 0.094 1 1 1411 . 15 1 1 A 123 123 PHE C C 129 174.530 174.655 -0.125 1 1 1412 . 15 1 1 A 123 123 PHE CA C 129 56.026 55.313 0.713 1 1 1413 . 15 1 1 A 123 123 PHE CB C 129 42.143 42.041 0.102 1 1 1414 . 15 1 1 A 123 123 PHE N N 129 125.540 123.524 2.016 1 1 1415 . 15 1 1 A 124 124 ARG H H 130 8.018 8.292 -0.274 1 1 1416 . 15 1 1 A 124 124 ARG HA H 130 4.366 4.403 -0.037 1 1 1423 . 15 1 1 A 124 124 ARG C C 130 172.139 174.646 -2.507 1 1 1424 . 15 1 1 A 124 124 ARG CA C 130 53.422 53.496 -0.074 1 1 1425 . 15 1 1 A 124 124 ARG CB C 130 32.310 34.118 -1.808 1 1 1428 . 15 1 1 A 124 124 ARG N N 130 125.264 119.056 6.208 1 1 1429 . 15 1 1 A 125 125 ILE H H 131 8.462 7.950 0.512 1 1 1430 . 15 1 1 A 125 125 ILE HA H 131 3.883 4.321 -0.438 1 1 1440 . 15 1 1 A 125 125 ILE C C 131 175.487 175.102 0.385 1 1 1441 . 15 1 1 A 125 125 ILE CA C 131 58.339 61.779 -3.440 1 1 1442 . 15 1 1 A 125 125 ILE CB C 131 35.673 38.992 -3.319 1 1 1446 . 15 1 1 A 125 125 ILE N N 131 121.887 123.621 -1.734 1 1 1447 . 15 1 1 A 126 126 GLY H H 132 8.814 8.071 0.743 1 1 1448 . 15 1 1 A 126 126 GLY HA2 H 132 4.062 4.319 -0.257 1 1 1449 . 15 1 1 A 126 126 GLY HA3 H 132 4.062 4.329 -0.267 1 1 1450 . 15 1 1 A 126 126 GLY C C 132 171.583 172.499 -0.916 1 1 1451 . 15 1 1 A 126 126 GLY CA C 132 44.157 44.177 -0.020 1 1 1452 . 15 1 1 A 126 126 GLY N N 132 115.675 114.309 1.366 1 1 1453 . 15 1 1 A 127 127 ASP H H 133 7.914 8.492 -0.578 1 1 1454 . 15 1 1 A 127 127 ASP HA H 133 4.584 4.811 -0.227 1 1 1457 . 15 1 1 A 127 127 ASP C C 133 174.132 176.001 -1.869 1 1 1458 . 15 1 1 A 127 127 ASP CA C 133 54.822 54.382 0.440 1 1 1459 . 15 1 1 A 127 127 ASP CB C 133 45.407 41.730 3.677 1 1 1460 . 15 1 1 A 127 127 ASP N N 133 123.737 120.168 3.569 1 1 1461 . 15 1 1 A 128 128 ILE H H 134 8.258 8.414 -0.156 1 1 1462 . 15 1 1 A 128 128 ILE HA H 134 4.392 5.084 -0.692 1 1 1472 . 15 1 1 A 128 128 ILE C C 134 174.799 174.332 0.467 1 1 1473 . 15 1 1 A 128 128 ILE CA C 134 61.596 59.516 2.080 1 1 1474 . 15 1 1 A 128 128 ILE CB C 134 37.549 40.926 -3.377 1 1 1478 . 15 1 1 A 128 128 ILE N N 134 119.105 123.297 -4.192 1 1 1479 . 15 1 1 A 129 129 ALA H H 135 8.607 8.777 -0.170 1 1 1480 . 15 1 1 A 129 129 ALA HA H 135 4.757 5.414 -0.657 1 1 1484 . 15 1 1 A 129 129 ALA C C 135 173.358 176.622 -3.264 1 1 1485 . 15 1 1 A 129 129 ALA CA C 135 50.608 50.294 0.314 1 1 1486 . 15 1 1 A 129 129 ALA CB C 135 23.348 22.023 1.325 1 1 1487 . 15 1 1 A 129 129 ALA N N 135 129.336 128.590 0.746 1 1 1488 . 15 1 1 A 130 130 GLY H H 136 7.514 8.189 -0.675 1 1 1489 . 15 1 1 A 130 130 GLY HA2 H 136 3.551 2.470 1.081 1 1 1490 . 15 1 1 A 130 130 GLY HA3 H 136 4.422 3.557 0.865 1 1 1491 . 15 1 1 A 130 130 GLY C C 136 172.609 171.226 1.383 1 1 1492 . 15 1 1 A 130 130 GLY CA C 136 44.315 45.227 -0.912 1 1 1493 . 15 1 1 A 130 130 GLY N N 136 101.232 108.186 -6.954 1 1 1494 . 15 1 1 A 131 131 GLU H H 137 8.225 7.868 0.357 1 1 1495 . 15 1 1 A 131 131 GLU HA H 137 4.540 4.508 0.032 1 1 1500 . 15 1 1 A 131 131 GLU C C 137 174.864 175.702 -0.838 1 1 1501 . 15 1 1 A 131 131 GLU CA C 137 53.120 55.571 -2.451 1 1 1502 . 15 1 1 A 131 131 GLU CB C 137 28.254 28.572 -0.318 1 1 1504 . 15 1 1 A 131 131 GLU N N 137 121.002 120.731 0.271 1 1 1505 . 15 1 1 A 132 132 HIS H H 138 8.054 8.290 -0.236 1 1 1506 . 15 1 1 A 132 132 HIS HA H 138 4.771 4.808 -0.037 1 1 1511 . 15 1 1 A 132 132 HIS C C 138 175.411 174.905 0.506 1 1 1512 . 15 1 1 A 132 132 HIS CA C 138 57.942 57.489 0.453 1 1 1513 . 15 1 1 A 132 132 HIS CB C 138 27.710 30.559 -2.849 1 1 1514 . 15 1 1 A 132 132 HIS N N 138 124.204 124.119 0.085 1 1 1515 . 15 1 1 A 133 133 THR H H 139 9.056 8.345 0.711 1 1 1516 . 15 1 1 A 133 133 THR HA H 139 3.864 4.990 -1.126 1 1 1521 . 15 1 1 A 133 133 THR C C 139 174.178 173.985 0.193 1 1 1522 . 15 1 1 A 133 133 THR CA C 139 63.225 59.764 3.461 1 1 1523 . 15 1 1 A 133 133 THR CB C 139 68.127 71.328 -3.201 1 1 1525 . 15 1 1 A 133 133 THR N N 139 125.345 118.802 6.543 1 1 1526 . 15 1 1 A 134 134 SER H H 140 8.834 8.847 -0.013 1 1 1527 . 15 1 1 A 134 134 SER HA H 140 4.560 4.333 0.227 1 1 1530 . 15 1 1 A 134 134 SER C C 140 176.713 176.118 0.595 1 1 1531 . 15 1 1 A 134 134 SER CA C 140 57.961 60.019 -2.058 1 1 1532 . 15 1 1 A 134 134 SER CB C 140 63.030 63.538 -0.508 1 1 1533 . 15 1 1 A 134 134 SER N N 140 121.791 122.525 -0.734 1 1 1534 . 15 1 1 A 135 135 PHE H H 141 9.597 8.062 1.535 1 1 1535 . 15 1 1 A 135 135 PHE HA H 141 3.953 4.441 -0.488 1 1 1542 . 15 1 1 A 135 135 PHE C C 141 175.375 176.975 -1.600 1 1 1543 . 15 1 1 A 135 135 PHE CA C 141 61.339 59.854 1.485 1 1 1544 . 15 1 1 A 135 135 PHE CB C 141 39.394 38.159 1.235 1 1 1545 . 15 1 1 A 135 135 PHE N N 141 128.822 122.916 5.906 1 1 1546 . 15 1 1 A 136 136 ASP H H 142 8.017 7.996 0.021 1 1 1547 . 15 1 1 A 136 136 ASP HA H 142 4.352 4.564 -0.212 1 1 1550 . 15 1 1 A 136 136 ASP C C 142 175.358 177.004 -1.646 1 1 1551 . 15 1 1 A 136 136 ASP CA C 142 55.223 56.575 -1.352 1 1 1552 . 15 1 1 A 136 136 ASP CB C 142 40.968 40.492 0.476 1 1 1553 . 15 1 1 A 136 136 ASP N N 142 113.108 120.771 -7.663 1 1 1554 . 15 1 1 A 137 137 LYS H H 143 7.340 7.235 0.105 1 1 1555 . 15 1 1 A 137 137 LYS HA H 143 4.439 4.452 -0.013 1 1 1564 . 15 1 1 A 137 137 LYS C C 143 175.571 176.455 -0.884 1 1 1565 . 15 1 1 A 137 137 LYS CA C 143 54.096 55.955 -1.859 1 1 1566 . 15 1 1 A 137 137 LYS CB C 143 32.545 33.608 -1.063 1 1 1570 . 15 1 1 A 137 137 LYS N N 143 117.716 116.557 1.159 1 1 1571 . 15 1 1 A 138 138 LEU H H 144 6.698 7.480 -0.782 1 1 1572 . 15 1 1 A 138 138 LEU HA H 144 3.903 4.426 -0.523 1 1 1582 . 15 1 1 A 138 138 LEU C C 144 174.123 175.178 -1.055 1 1 1583 . 15 1 1 A 138 138 LEU CA C 144 52.843 52.667 0.176 1 1 1584 . 15 1 1 A 138 138 LEU CB C 144 40.993 41.826 -0.833 1 1 1588 . 15 1 1 A 138 138 LEU N N 144 120.536 121.271 -0.735 1 1 1589 . 15 1 1 A 139 139 PRO HA H 145 4.040 4.711 -0.671 1 1 1596 . 15 1 1 A 139 139 PRO C C 145 172.700 176.046 -3.346 1 1 1597 . 15 1 1 A 139 139 PRO CA C 145 62.654 62.425 0.229 1 1 1598 . 15 1 1 A 139 139 PRO CB C 145 30.086 33.004 -2.918 1 1 1601 . 15 1 1 A 140 140 GLU H H 146 8.343 8.724 -0.381 1 1 1602 . 15 1 1 A 140 140 GLU HA H 146 3.970 4.818 -0.848 1 1 1607 . 15 1 1 A 140 140 GLU C C 146 176.009 175.512 0.497 1 1 1608 . 15 1 1 A 140 140 GLU CA C 146 56.119 55.632 0.487 1 1 1609 . 15 1 1 A 140 140 GLU CB C 146 30.086 30.579 -0.493 1 1 1611 . 15 1 1 A 140 140 GLU N N 146 119.063 121.057 -1.994 1 1 1612 . 15 1 1 A 141 141 GLY H H 147 7.241 7.664 -0.423 1 1 1613 . 15 1 1 A 141 141 GLY HA2 H 147 3.918 4.182 -0.264 1 1 1614 . 15 1 1 A 141 141 GLY HA3 H 147 3.814 4.214 -0.400 1 1 1615 . 15 1 1 A 141 141 GLY C C 147 171.657 173.158 -1.501 1 1 1616 . 15 1 1 A 141 141 GLY CA C 147 43.929 45.817 -1.888 1 1 1617 . 15 1 1 A 141 141 GLY N N 147 104.270 108.691 -4.421 1 1 1618 . 15 1 1 A 142 142 GLY H H 148 8.241 8.500 -0.259 1 1 1619 . 15 1 1 A 142 142 GLY HA2 H 148 3.710 4.137 -0.427 1 1 1620 . 15 1 1 A 142 142 GLY HA3 H 148 4.350 4.163 0.187 1 1 1621 . 15 1 1 A 142 142 GLY C C 148 171.767 173.106 -1.339 1 1 1622 . 15 1 1 A 142 142 GLY CA C 148 43.649 44.591 -0.942 1 1 1623 . 15 1 1 A 142 142 GLY N N 148 106.996 108.820 -1.824 1 1 1624 . 15 1 1 A 143 143 ARG H H 149 8.214 8.223 -0.009 1 1 1625 . 15 1 1 A 143 143 ARG HA H 149 5.376 5.340 0.036 1 1 1632 . 15 1 1 A 143 143 ARG C C 149 174.981 174.593 0.388 1 1 1633 . 15 1 1 A 143 143 ARG CA C 149 54.235 54.047 0.188 1 1 1634 . 15 1 1 A 143 143 ARG CB C 149 32.988 34.154 -1.166 1 1 1637 . 15 1 1 A 143 143 ARG N N 149 117.762 116.568 1.194 1 1 1638 . 15 1 1 A 144 144 ALA H H 150 9.030 8.634 0.396 1 1 1639 . 15 1 1 A 144 144 ALA HA H 150 4.730 5.159 -0.429 1 1 1643 . 15 1 1 A 144 144 ALA C C 150 175.012 174.955 0.057 1 1 1644 . 15 1 1 A 144 144 ALA CA C 150 50.732 50.551 0.181 1 1 1645 . 15 1 1 A 144 144 ALA CB C 150 23.448 23.139 0.309 1 1 1646 . 15 1 1 A 144 144 ALA N N 150 126.630 121.384 5.246 1 1 1647 . 15 1 1 A 145 145 THR H H 151 8.560 8.504 0.056 1 1 1648 . 15 1 1 A 145 145 THR HA H 151 4.846 4.768 0.078 1 1 1653 . 15 1 1 A 145 145 THR C C 151 171.870 173.053 -1.183 1 1 1654 . 15 1 1 A 145 145 THR CA C 151 61.997 60.970 1.027 1 1 1655 . 15 1 1 A 145 145 THR CB C 151 69.746 70.405 -0.659 1 1 1657 . 15 1 1 A 145 145 THR N N 151 117.942 117.691 0.251 1 1 1658 . 15 1 1 A 146 146 TYR H H 152 10.008 8.563 1.445 1 1 1659 . 15 1 1 A 146 146 TYR HA H 152 4.580 5.165 -0.585 1 1 1666 . 15 1 1 A 146 146 TYR C C 152 174.627 174.586 0.041 1 1 1667 . 15 1 1 A 146 146 TYR CA C 152 55.835 56.395 -0.560 1 1 1668 . 15 1 1 A 146 146 TYR CB C 152 40.094 43.403 -3.309 1 1 1669 . 15 1 1 A 146 146 TYR N N 152 126.097 125.668 0.429 1 1 1670 . 15 1 1 A 147 147 ARG H H 153 8.860 8.926 -0.066 1 1 1671 . 15 1 1 A 147 147 ARG HA H 153 5.404 5.211 0.193 1 1 1678 . 15 1 1 A 147 147 ARG C C 153 177.446 175.239 2.207 1 1 1679 . 15 1 1 A 147 147 ARG CA C 153 54.024 54.744 -0.720 1 1 1680 . 15 1 1 A 147 147 ARG CB C 153 33.539 33.898 -0.359 1 1 1683 . 15 1 1 A 147 147 ARG N N 153 121.042 122.777 -1.735 1 1 1684 . 15 1 1 A 148 148 GLY H H 154 8.916 8.754 0.162 1 1 1685 . 15 1 1 A 148 148 GLY HA2 H 154 4.816 4.395 0.421 1 1 1686 . 15 1 1 A 148 148 GLY HA3 H 154 4.422 4.402 0.020 1 1 1687 . 15 1 1 A 148 148 GLY C C 154 173.831 171.826 2.005 1 1 1688 . 15 1 1 A 148 148 GLY CA C 154 46.752 44.846 1.906 1 1 1689 . 15 1 1 A 148 148 GLY N N 154 114.154 111.826 2.328 1 1 1690 . 15 1 1 A 149 149 THR H H 155 9.063 8.575 0.488 1 1 1691 . 15 1 1 A 149 149 THR HA H 155 4.711 4.980 -0.269 1 1 1696 . 15 1 1 A 149 149 THR C C 155 170.370 173.647 -3.277 1 1 1697 . 15 1 1 A 149 149 THR CA C 155 62.316 62.238 0.078 1 1 1698 . 15 1 1 A 149 149 THR CB C 155 72.596 70.549 2.047 1 1 1700 . 15 1 1 A 149 149 THR N N 155 126.410 115.780 10.630 1 1 1701 . 15 1 1 A 150 150 ALA H H 156 7.091 9.126 -2.035 1 1 1702 . 15 1 1 A 150 150 ALA HA H 156 5.289 5.366 -0.077 1 1 1706 . 15 1 1 A 150 150 ALA C C 156 173.965 176.518 -2.553 1 1 1707 . 15 1 1 A 150 150 ALA CA C 156 48.843 50.047 -1.204 1 1 1708 . 15 1 1 A 150 150 ALA CB C 156 22.573 21.229 1.344 1 1 1709 . 15 1 1 A 150 150 ALA N N 156 127.540 128.901 -1.361 1 1 1710 . 15 1 1 A 151 151 PHE H H 157 8.536 8.217 0.319 1 1 1711 . 15 1 1 A 151 151 PHE HA H 157 5.442 5.758 -0.316 1 1 1718 . 15 1 1 A 151 151 PHE C C 157 171.891 174.246 -2.355 1 1 1719 . 15 1 1 A 151 151 PHE CA C 157 53.282 55.363 -2.081 1 1 1720 . 15 1 1 A 151 151 PHE CB C 157 41.020 41.892 -0.872 1 1 1721 . 15 1 1 A 151 151 PHE N N 157 117.013 118.850 -1.837 1 1 1722 . 15 1 1 A 152 152 GLY H H 158 8.548 8.593 -0.045 1 1 1723 . 15 1 1 A 152 152 GLY HA2 H 158 4.003 4.390 -0.387 1 1 1724 . 15 1 1 A 152 152 GLY HA3 H 158 3.124 4.465 -1.341 1 1 1725 . 15 1 1 A 152 152 GLY C C 158 173.148 172.323 0.825 1 1 1726 . 15 1 1 A 152 152 GLY CA C 158 42.630 45.722 -3.092 1 1 1727 . 15 1 1 A 152 152 GLY N N 158 108.356 108.102 0.254 1 1 1728 . 15 1 1 A 153 153 SER H H 159 7.610 7.993 -0.383 1 1 1729 . 15 1 1 A 153 153 SER HA H 159 3.421 4.236 -0.815 1 1 1732 . 15 1 1 A 153 153 SER C C 159 176.057 174.008 2.049 1 1 1733 . 15 1 1 A 153 153 SER CA C 159 58.787 56.874 1.913 1 1 1734 . 15 1 1 A 153 153 SER CB C 159 61.886 60.669 1.217 1 1 1735 . 15 1 1 A 153 153 SER N N 159 115.173 115.403 -0.230 1 1 1736 . 15 1 1 A 154 154 ASP H H 160 9.894 8.583 1.311 1 1 1737 . 15 1 1 A 154 154 ASP HA H 160 4.168 4.889 -0.721 1 1 1740 . 15 1 1 A 154 154 ASP C C 160 175.191 176.007 -0.816 1 1 1741 . 15 1 1 A 154 154 ASP CA C 160 55.398 55.063 0.335 1 1 1742 . 15 1 1 A 154 154 ASP CB C 160 39.212 44.155 -4.943 1 1 1743 . 15 1 1 A 154 154 ASP N N 160 124.828 124.653 0.175 1 1 1744 . 15 1 1 A 155 155 ASP H H 161 7.520 8.000 -0.480 1 1 1745 . 15 1 1 A 155 155 ASP HA H 161 4.568 4.966 -0.398 1 1 1748 . 15 1 1 A 155 155 ASP C C 161 172.658 175.939 -3.281 1 1 1749 . 15 1 1 A 155 155 ASP CA C 161 54.342 55.855 -1.513 1 1 1750 . 15 1 1 A 155 155 ASP CB C 161 40.619 42.390 -1.771 1 1 1751 . 15 1 1 A 155 155 ASP N N 161 116.749 118.344 -1.595 1 1 1752 . 15 1 1 A 156 156 ALA H H 162 8.544 8.151 0.393 1 1 1753 . 15 1 1 A 156 156 ALA HA H 162 4.916 4.088 0.828 1 1 1757 . 15 1 1 A 156 156 ALA C C 162 177.708 177.661 0.047 1 1 1758 . 15 1 1 A 156 156 ALA CA C 162 49.878 53.372 -3.494 1 1 1759 . 15 1 1 A 156 156 ALA CB C 162 17.473 17.607 -0.134 1 1 1760 . 15 1 1 A 156 156 ALA N N 162 128.246 120.708 7.538 1 1 1761 . 15 1 1 A 157 157 GLY H H 163 8.406 8.592 -0.186 1 1 1762 . 15 1 1 A 157 157 GLY HA2 H 163 4.286 4.186 0.100 1 1 1763 . 15 1 1 A 157 157 GLY HA3 H 163 3.894 4.194 -0.300 1 1 1764 . 15 1 1 A 157 157 GLY C C 163 174.344 174.193 0.151 1 1 1765 . 15 1 1 A 157 157 GLY CA C 163 45.049 45.467 -0.418 1 1 1766 . 15 1 1 A 157 157 GLY N N 163 106.545 102.980 3.565 1 1 1767 . 15 1 1 A 158 158 GLY H H 164 7.128 8.297 -1.169 1 1 1768 . 15 1 1 A 158 158 GLY HA2 H 164 4.118 3.932 0.186 1 1 1769 . 15 1 1 A 158 158 GLY HA3 H 164 3.641 3.970 -0.329 1 1 1770 . 15 1 1 A 158 158 GLY C C 164 173.903 173.438 0.465 1 1 1771 . 15 1 1 A 158 158 GLY CA C 164 45.225 47.007 -1.782 1 1 1772 . 15 1 1 A 158 158 GLY N N 164 106.404 108.182 -1.778 1 1 1773 . 15 1 1 A 159 159 LYS H H 165 9.647 8.000 1.647 1 1 1774 . 15 1 1 A 159 159 LYS HA H 165 5.052 4.271 0.781 1 1 1781 . 15 1 1 A 159 159 LYS C C 165 174.390 176.298 -1.908 1 1 1782 . 15 1 1 A 159 159 LYS CA C 165 53.501 56.348 -2.847 1 1 1783 . 15 1 1 A 159 159 LYS CB C 165 34.622 32.849 1.773 1 1 1786 . 15 1 1 A 159 159 LYS N N 165 123.930 123.448 0.482 1 1 1787 . 15 1 1 A 160 160 LEU H H 166 7.706 8.514 -0.808 1 1 1788 . 15 1 1 A 160 160 LEU HA H 166 4.873 5.310 -0.437 1 1 1798 . 15 1 1 A 160 160 LEU C C 166 174.825 175.217 -0.392 1 1 1799 . 15 1 1 A 160 160 LEU CA C 166 52.677 52.809 -0.132 1 1 1800 . 15 1 1 A 160 160 LEU CB C 166 44.629 45.915 -1.286 1 1 1804 . 15 1 1 A 160 160 LEU N N 166 126.271 120.279 5.992 1 1 1805 . 15 1 1 A 161 161 THR H H 167 8.374 8.425 -0.051 1 1 1806 . 15 1 1 A 161 161 THR HA H 167 4.949 5.067 -0.118 1 1 1811 . 15 1 1 A 161 161 THR C C 167 172.102 172.656 -0.554 1 1 1812 . 15 1 1 A 161 161 THR CA C 167 61.761 61.941 -0.180 1 1 1813 . 15 1 1 A 161 161 THR CB C 167 70.169 70.812 -0.643 1 1 1815 . 15 1 1 A 161 161 THR N N 167 122.977 115.526 7.451 1 1 1816 . 15 1 1 A 162 162 TYR H H 168 9.174 9.158 0.016 1 1 1817 . 15 1 1 A 162 162 TYR HA H 168 4.766 5.387 -0.621 1 1 1824 . 15 1 1 A 162 162 TYR C C 168 172.249 174.149 -1.900 1 1 1825 . 15 1 1 A 162 162 TYR CA C 168 58.162 56.474 1.688 1 1 1826 . 15 1 1 A 162 162 TYR CB C 168 43.746 41.953 1.793 1 1 1827 . 15 1 1 A 162 162 TYR N N 168 128.112 126.632 1.480 1 1 1828 . 15 1 1 A 163 163 THR H H 169 8.711 8.369 0.342 1 1 1829 . 15 1 1 A 163 163 THR HA H 169 5.402 5.155 0.247 1 1 1834 . 15 1 1 A 163 163 THR C C 169 172.520 171.621 0.899 1 1 1835 . 15 1 1 A 163 163 THR CA C 169 60.804 60.007 0.797 1 1 1836 . 15 1 1 A 163 163 THR CB C 169 70.818 71.695 -0.877 1 1 1838 . 15 1 1 A 163 163 THR N N 169 124.549 120.861 3.688 1 1 1839 . 15 1 1 A 164 164 ILE H H 170 8.927 9.077 -0.150 1 1 1840 . 15 1 1 A 164 164 ILE HA H 170 4.313 5.124 -0.811 1 1 1850 . 15 1 1 A 164 164 ILE C C 170 173.105 173.092 0.013 1 1 1851 . 15 1 1 A 164 164 ILE CA C 170 60.595 59.310 1.285 1 1 1852 . 15 1 1 A 164 164 ILE CB C 170 41.274 41.433 -0.159 1 1 1856 . 15 1 1 A 164 164 ILE N N 170 123.685 127.747 -4.062 1 1 1857 . 15 1 1 A 165 165 ASP H H 171 8.372 8.371 0.001 1 1 1858 . 15 1 1 A 165 165 ASP HA H 171 4.750 4.982 -0.232 1 1 1861 . 15 1 1 A 165 165 ASP C C 171 177.213 176.095 1.118 1 1 1862 . 15 1 1 A 165 165 ASP CA C 171 51.669 52.633 -0.964 1 1 1863 . 15 1 1 A 165 165 ASP CB C 171 41.730 41.922 -0.192 1 1 1864 . 15 1 1 A 165 165 ASP N N 171 125.168 128.190 -3.022 1 1 1865 . 15 1 1 A 166 166 PHE H H 172 8.968 8.616 0.352 1 1 1866 . 15 1 1 A 166 166 PHE HA H 172 3.879 4.223 -0.344 1 1 1874 . 15 1 1 A 166 166 PHE C C 172 176.940 177.290 -0.350 1 1 1875 . 15 1 1 A 166 166 PHE CA C 172 61.543 61.478 0.065 1 1 1876 . 15 1 1 A 166 166 PHE CB C 172 37.424 38.193 -0.769 1 1 1877 . 15 1 1 A 166 166 PHE N N 172 123.597 122.652 0.945 1 1 1878 . 15 1 1 A 167 167 ALA H H 173 8.266 7.582 0.684 1 1 1879 . 15 1 1 A 167 167 ALA HA H 173 4.322 4.196 0.126 1 1 1883 . 15 1 1 A 167 167 ALA C C 173 178.888 177.955 0.933 1 1 1884 . 15 1 1 A 167 167 ALA CA C 173 54.458 54.327 0.131 1 1 1885 . 15 1 1 A 167 167 ALA CB C 173 17.591 18.475 -0.884 1 1 1886 . 15 1 1 A 167 167 ALA N N 173 122.113 121.743 0.370 1 1 1887 . 15 1 1 A 168 168 ALA H H 174 7.405 7.698 -0.293 1 1 1888 . 15 1 1 A 168 168 ALA HA H 174 4.096 4.442 -0.346 1 1 1892 . 15 1 1 A 168 168 ALA C C 174 176.605 176.778 -0.173 1 1 1893 . 15 1 1 A 168 168 ALA CA C 174 51.225 51.263 -0.038 1 1 1894 . 15 1 1 A 168 168 ALA CB C 174 18.307 20.658 -2.351 1 1 1895 . 15 1 1 A 168 168 ALA N N 174 118.760 119.754 -0.994 1 1 1896 . 15 1 1 A 169 169 LYS H H 175 7.906 7.866 0.040 1 1 1897 . 15 1 1 A 169 169 LYS HA H 175 3.391 3.798 -0.407 1 1 1904 . 15 1 1 A 169 169 LYS C C 175 174.608 174.612 -0.004 1 1 1905 . 15 1 1 A 169 169 LYS CA C 175 57.049 57.386 -0.337 1 1 1906 . 15 1 1 A 169 169 LYS CB C 175 30.051 29.241 0.810 1 1 1909 . 15 1 1 A 169 169 LYS N N 175 114.394 115.252 -0.858 1 1 1910 . 15 1 1 A 170 170 GLN H H 176 7.629 7.129 0.500 1 1 1911 . 15 1 1 A 170 170 GLN HA H 176 5.414 4.997 0.417 1 1 1918 . 15 1 1 A 170 170 GLN C C 176 174.325 174.657 -0.332 1 1 1919 . 15 1 1 A 170 170 GLN CA C 176 54.393 54.103 0.290 1 1 1920 . 15 1 1 A 170 170 GLN CB C 176 34.771 31.275 3.496 1 1 1922 . 15 1 1 A 170 170 GLN N N 176 116.433 116.725 -0.292 1 1 1924 . 15 1 1 A 171 171 GLY H H 177 8.854 9.085 -0.231 1 1 1925 . 15 1 1 A 171 171 GLY HA2 H 177 5.205 4.096 1.109 1 1 1926 . 15 1 1 A 171 171 GLY HA3 H 177 3.526 4.309 -0.783 1 1 1927 . 15 1 1 A 171 171 GLY C C 177 170.842 172.066 -1.224 1 1 1928 . 15 1 1 A 171 171 GLY CA C 177 44.621 44.678 -0.057 1 1 1929 . 15 1 1 A 171 171 GLY N N 177 110.189 110.187 0.002 1 1 1930 . 15 1 1 A 172 172 ASN H H 178 7.637 8.873 -1.236 1 1 1931 . 15 1 1 A 172 172 ASN HA H 178 4.224 5.251 -1.027 1 1 1936 . 15 1 1 A 172 172 ASN C C 178 171.546 173.262 -1.716 1 1 1937 . 15 1 1 A 172 172 ASN CA C 178 53.729 51.308 2.421 1 1 1938 . 15 1 1 A 172 172 ASN CB C 178 41.543 42.307 -0.764 1 1 1939 . 15 1 1 A 172 172 ASN N N 178 112.667 121.658 -8.991 1 1 1941 . 15 1 1 A 173 173 GLY H H 179 9.103 8.385 0.718 1 1 1942 . 15 1 1 A 173 173 GLY HA2 H 179 4.491 4.234 0.257 1 1 1943 . 15 1 1 A 173 173 GLY HA3 H 179 4.084 4.295 -0.211 1 1 1944 . 15 1 1 A 173 173 GLY C C 179 172.400 171.881 0.519 1 1 1945 . 15 1 1 A 173 173 GLY CA C 179 47.199 45.895 1.304 1 1 1946 . 15 1 1 A 173 173 GLY N N 179 106.686 107.951 -1.265 1 1 1947 . 15 1 1 A 174 174 LYS H H 180 9.179 8.507 0.672 1 1 1948 . 15 1 1 A 174 174 LYS HA H 180 4.821 5.120 -0.299 1 1 1957 . 15 1 1 A 174 174 LYS C C 180 172.518 173.756 -1.238 1 1 1958 . 15 1 1 A 174 174 LYS CA C 180 56.617 55.113 1.504 1 1 1959 . 15 1 1 A 174 174 LYS CB C 180 35.373 36.243 -0.870 1 1 1963 . 15 1 1 A 174 174 LYS N N 180 121.816 116.755 5.061 1 1 1964 . 15 1 1 A 175 175 ILE H H 181 8.351 8.317 0.034 1 1 1965 . 15 1 1 A 175 175 ILE HA H 181 4.581 5.069 -0.488 1 1 1973 . 15 1 1 A 175 175 ILE C C 181 173.997 175.534 -1.537 1 1 1974 . 15 1 1 A 175 175 ILE CA C 181 60.490 59.628 0.862 1 1 1975 . 15 1 1 A 175 175 ILE CB C 181 39.573 40.959 -1.386 1 1 1978 . 15 1 1 A 175 175 ILE N N 181 123.400 122.106 1.294 1 1 1979 . 15 1 1 A 176 176 GLU H H 182 8.492 8.616 -0.124 1 1 1980 . 15 1 1 A 176 176 GLU HA H 182 4.471 4.710 -0.239 1 1 1985 . 15 1 1 A 176 176 GLU C C 182 175.392 177.009 -1.617 1 1 1986 . 15 1 1 A 176 176 GLU CA C 182 53.410 55.574 -2.164 1 1 1987 . 15 1 1 A 176 176 GLU CB C 182 35.479 30.998 4.481 1 1 1989 . 15 1 1 A 176 176 GLU N N 182 122.287 125.317 -3.030 1 1 1990 . 15 1 1 A 177 177 HIS H H 183 8.431 8.207 0.224 1 1 1991 . 15 1 1 A 177 177 HIS HA H 183 3.975 4.763 -0.788 1 1 1996 . 15 1 1 A 177 177 HIS C C 183 176.008 174.977 1.031 1 1 1997 . 15 1 1 A 177 177 HIS CA C 183 57.533 55.147 2.386 1 1 1998 . 15 1 1 A 177 177 HIS CB C 183 27.362 30.215 -2.853 1 1 1999 . 15 1 1 A 177 177 HIS N N 183 109.605 120.488 -10.883 1 1 2000 . 15 1 1 A 178 178 LEU H H 184 9.603 7.619 1.984 1 1 2001 . 15 1 1 A 178 178 LEU HA H 184 4.276 4.344 -0.068 1 1 2011 . 15 1 1 A 178 178 LEU C C 184 178.805 177.820 0.985 1 1 2012 . 15 1 1 A 178 178 LEU CA C 184 56.034 53.872 2.162 1 1 2013 . 15 1 1 A 178 178 LEU CB C 184 39.882 42.013 -2.131 1 1 2017 . 15 1 1 A 178 178 LEU N N 184 124.374 120.804 3.570 1 1 2018 . 15 1 1 A 179 179 LYS H H 185 10.002 8.877 1.125 1 1 2019 . 15 1 1 A 179 179 LYS HA H 185 3.682 4.074 -0.392 1 1 2028 . 15 1 1 A 179 179 LYS C C 185 177.660 176.313 1.347 1 1 2029 . 15 1 1 A 179 179 LYS CA C 185 57.721 58.477 -0.756 1 1 2030 . 15 1 1 A 179 179 LYS CB C 185 31.949 32.178 -0.229 1 1 2034 . 15 1 1 A 179 179 LYS N N 185 122.880 120.852 2.028 1 1 2035 . 15 1 1 A 180 180 SER H H 186 7.262 7.907 -0.645 1 1 2036 . 15 1 1 A 180 180 SER HA H 186 4.672 4.911 -0.239 1 1 2039 . 15 1 1 A 180 180 SER C C 186 173.086 173.820 -0.734 1 1 2040 . 15 1 1 A 180 180 SER CA C 186 54.576 55.581 -1.005 1 1 2041 . 15 1 1 A 180 180 SER CB C 186 62.715 65.342 -2.627 1 1 2042 . 15 1 1 A 180 180 SER N N 186 115.187 115.680 -0.493 1 1 2043 . 15 1 1 A 181 181 PRO HA H 187 3.956 4.453 -0.497 1 1 2050 . 15 1 1 A 181 181 PRO CA C 187 65.359 64.952 0.407 1 1 2051 . 15 1 1 A 181 181 PRO CB C 187 32.061 31.973 0.088 1 1 2054 . 15 1 1 A 182 182 GLU H H 188 8.076 8.606 -0.530 1 1 2055 . 15 1 1 A 182 182 GLU HA H 188 3.011 4.115 -1.104 1 1 2060 . 15 1 1 A 182 182 GLU C C 188 173.944 178.409 -4.465 1 1 2061 . 15 1 1 A 182 182 GLU CA C 188 56.597 58.886 -2.289 1 1 2062 . 15 1 1 A 182 182 GLU CB C 188 29.581 28.827 0.754 1 1 2064 . 15 1 1 A 182 182 GLU N N 188 113.034 117.379 -4.345 1 1 2065 . 15 1 1 A 183 183 LEU H H 189 7.126 7.531 -0.405 1 1 2066 . 15 1 1 A 183 183 LEU HA H 189 3.970 4.223 -0.253 1 1 2076 . 15 1 1 A 183 183 LEU C C 189 175.597 177.049 -1.452 1 1 2077 . 15 1 1 A 183 183 LEU CA C 189 53.849 55.435 -1.586 1 1 2078 . 15 1 1 A 183 183 LEU CB C 189 41.152 42.307 -1.155 1 1 2082 . 15 1 1 A 183 183 LEU N N 189 112.896 118.216 -5.320 1 1 2083 . 15 1 1 A 184 184 ASN H H 190 6.952 7.965 -1.013 1 1 2084 . 15 1 1 A 184 184 ASN HA H 190 4.596 4.633 -0.037 1 1 2089 . 15 1 1 A 184 184 ASN C C 190 175.694 174.775 0.919 1 1 2090 . 15 1 1 A 184 184 ASN CA C 190 53.200 53.175 0.025 1 1 2091 . 15 1 1 A 184 184 ASN CB C 190 36.466 39.190 -2.724 1 1 2092 . 15 1 1 A 184 184 ASN N N 190 117.865 117.741 0.124 1 1 2094 . 15 1 1 A 185 185 VAL H H 191 7.178 8.669 -1.491 1 1 2095 . 15 1 1 A 185 185 VAL HA H 191 4.480 4.792 -0.312 1 1 2103 . 15 1 1 A 185 185 VAL C C 191 174.874 175.526 -0.652 1 1 2104 . 15 1 1 A 185 185 VAL CA C 191 59.753 59.908 -0.155 1 1 2105 . 15 1 1 A 185 185 VAL CB C 191 33.035 34.033 -0.998 1 1 2108 . 15 1 1 A 185 185 VAL N N 191 113.276 118.852 -5.576 1 1 2109 . 15 1 1 A 186 186 ASP H H 192 8.827 8.565 0.262 1 1 2110 . 15 1 1 A 186 186 ASP HA H 192 4.779 4.927 -0.148 1 1 2113 . 15 1 1 A 186 186 ASP C C 192 174.919 175.486 -0.567 1 1 2114 . 15 1 1 A 186 186 ASP CA C 192 54.058 54.711 -0.653 1 1 2115 . 15 1 1 A 186 186 ASP CB C 192 41.635 41.629 0.006 1 1 2116 . 15 1 1 A 186 186 ASP N N 192 118.111 121.676 -3.565 1 1 2117 . 15 1 1 A 187 187 LEU H H 193 8.375 8.637 -0.262 1 1 2118 . 15 1 1 A 187 187 LEU HA H 193 4.146 4.935 -0.789 1 1 2127 . 15 1 1 A 187 187 LEU CA C 193 52.331 53.732 -1.401 1 1 2128 . 15 1 1 A 187 187 LEU CB C 193 38.187 44.403 -6.216 1 1 2131 . 15 1 1 A 187 187 LEU N N 193 123.130 125.611 -2.481 1 1 2132 . 15 1 1 A 188 188 ALA H H 194 8.225 8.671 -0.446 1 1 2133 . 15 1 1 A 188 188 ALA HA H 194 4.098 4.564 -0.466 1 1 2137 . 15 1 1 A 188 188 ALA C C 194 176.239 176.990 -0.751 1 1 2138 . 15 1 1 A 188 188 ALA CA C 194 52.498 51.866 0.632 1 1 2139 . 15 1 1 A 188 188 ALA CB C 194 20.030 19.335 0.695 1 1 2140 . 15 1 1 A 188 188 ALA N N 194 126.289 128.765 -2.476 1 1 2141 . 15 1 1 A 189 189 ALA H H 195 8.275 8.273 0.002 1 1 2142 . 15 1 1 A 189 189 ALA HA H 195 4.862 4.306 0.556 1 1 2146 . 15 1 1 A 189 189 ALA C C 195 178.131 178.200 -0.069 1 1 2147 . 15 1 1 A 189 189 ALA CA C 195 51.822 53.131 -1.309 1 1 2148 . 15 1 1 A 189 189 ALA CB C 195 17.367 19.061 -1.694 1 1 2149 . 15 1 1 A 189 189 ALA N N 195 122.010 125.771 -3.761 1 1 2150 . 15 1 1 A 190 190 ALA H H 196 8.823 8.848 -0.025 1 1 2151 . 15 1 1 A 190 190 ALA HA H 196 4.634 5.078 -0.444 1 1 2155 . 15 1 1 A 190 190 ALA C C 196 175.141 175.287 -0.146 1 1 2156 . 15 1 1 A 190 190 ALA CA C 196 50.420 50.709 -0.289 1 1 2157 . 15 1 1 A 190 190 ALA CB C 196 23.461 24.247 -0.786 1 1 2158 . 15 1 1 A 190 190 ALA N N 196 126.018 124.411 1.607 1 1 2159 . 15 1 1 A 191 191 ASP H H 197 8.365 8.779 -0.414 1 1 2160 . 15 1 1 A 191 191 ASP HA H 197 5.160 5.252 -0.092 1 1 2163 . 15 1 1 A 191 191 ASP C C 197 176.028 175.550 0.478 1 1 2164 . 15 1 1 A 191 191 ASP CA C 197 54.034 52.162 1.872 1 1 2165 . 15 1 1 A 191 191 ASP CB C 197 41.691 44.286 -2.595 1 1 2166 . 15 1 1 A 191 191 ASP N N 197 118.646 117.834 0.812 1 1 2167 . 15 1 1 A 192 192 ILE H H 198 7.915 8.472 -0.557 1 1 2168 . 15 1 1 A 192 192 ILE HA H 198 4.315 4.132 0.183 1 1 2178 . 15 1 1 A 192 192 ILE C C 198 174.684 176.319 -1.635 1 1 2179 . 15 1 1 A 192 192 ILE CA C 198 60.951 61.985 -1.034 1 1 2180 . 15 1 1 A 192 192 ILE CB C 198 41.989 37.242 4.747 1 1 2184 . 15 1 1 A 192 192 ILE N N 198 119.664 120.988 -1.324 1 1 2185 . 15 1 1 A 193 193 LYS H H 199 9.175 8.106 1.069 1 1 2186 . 15 1 1 A 193 193 LYS HA H 199 4.530 4.733 -0.203 1 1 2195 . 15 1 1 A 193 193 LYS C C 199 172.639 175.492 -2.853 1 1 2196 . 15 1 1 A 193 193 LYS CA C 199 53.361 53.862 -0.501 1 1 2197 . 15 1 1 A 193 193 LYS CB C 199 34.758 33.242 1.516 1 1 2201 . 15 1 1 A 193 193 LYS N N 199 127.122 125.996 1.126 1 1 2202 . 15 1 1 A 195 195 ASP H H 201 8.390 8.840 -0.450 1 1 2203 . 15 1 1 A 195 195 ASP HA H 201 4.550 4.934 -0.384 1 1 2206 . 15 1 1 A 195 195 ASP C C 201 179.300 176.133 3.167 1 1 2207 . 15 1 1 A 195 195 ASP CA C 201 51.354 55.175 -3.821 1 1 2208 . 15 1 1 A 195 195 ASP CB C 201 40.324 43.889 -3.565 1 1 2209 . 15 1 1 A 195 195 ASP N N 201 123.239 119.265 3.974 1 1 2210 . 15 1 1 A 196 196 GLY HA2 H 202 3.718 4.229 -0.511 1 1 2211 . 15 1 1 A 196 196 GLY HA3 H 202 3.437 4.252 -0.815 1 1 2212 . 15 1 1 A 196 196 GLY CA C 202 46.527 44.687 1.840 1 1 2213 . 15 1 1 A 197 197 LYS H H 203 7.740 8.797 -1.057 1 1 2214 . 15 1 1 A 197 197 LYS HA H 203 4.118 4.112 0.006 1 1 2221 . 15 1 1 A 197 197 LYS C C 203 174.941 176.568 -1.627 1 1 2222 . 15 1 1 A 197 197 LYS CA C 203 55.054 58.699 -3.645 1 1 2223 . 15 1 1 A 197 197 LYS CB C 203 31.192 31.936 -0.744 1 1 2226 . 15 1 1 A 197 197 LYS N N 203 120.305 120.739 -0.434 1 1 2227 . 15 1 1 A 198 198 ARG H H 204 8.059 8.063 -0.004 1 1 2228 . 15 1 1 A 198 198 ARG HA H 204 3.441 4.589 -1.148 1 1 2235 . 15 1 1 A 198 198 ARG C C 204 175.152 175.421 -0.269 1 1 2236 . 15 1 1 A 198 198 ARG CA C 204 56.911 56.153 0.758 1 1 2237 . 15 1 1 A 198 198 ARG CB C 204 26.584 30.947 -4.363 1 1 2240 . 15 1 1 A 198 198 ARG N N 204 111.796 115.172 -3.376 1 1 2241 . 15 1 1 A 199 199 HIS H H 205 8.531 7.768 0.763 1 1 2242 . 15 1 1 A 199 199 HIS HA H 205 4.812 5.240 -0.428 1 1 2247 . 15 1 1 A 199 199 HIS C C 205 174.866 174.767 0.099 1 1 2248 . 15 1 1 A 199 199 HIS CA C 205 53.700 55.156 -1.456 1 1 2249 . 15 1 1 A 199 199 HIS CB C 205 27.838 32.563 -4.725 1 1 2250 . 15 1 1 A 199 199 HIS N N 205 120.255 118.619 1.636 1 1 2251 . 15 1 1 A 200 200 ALA H H 206 8.492 8.898 -0.406 1 1 2252 . 15 1 1 A 200 200 ALA HA H 206 4.615 5.266 -0.651 1 1 2256 . 15 1 1 A 200 200 ALA C C 206 175.840 175.460 0.380 1 1 2257 . 15 1 1 A 200 200 ALA CA C 206 52.247 51.068 1.179 1 1 2258 . 15 1 1 A 200 200 ALA CB C 206 19.838 24.310 -4.472 1 1 2259 . 15 1 1 A 200 200 ALA N N 206 123.237 122.139 1.098 1 1 2260 . 15 1 1 A 201 201 VAL H H 207 9.174 8.660 0.514 1 1 2261 . 15 1 1 A 201 201 VAL HA H 207 4.976 4.702 0.274 1 1 2269 . 15 1 1 A 201 201 VAL C C 207 173.390 174.741 -1.351 1 1 2270 . 15 1 1 A 201 201 VAL CA C 207 60.775 60.748 0.027 1 1 2271 . 15 1 1 A 201 201 VAL CB C 207 35.488 36.149 -0.661 1 1 2274 . 15 1 1 A 201 201 VAL N N 207 123.250 119.272 3.978 1 1 2275 . 15 1 1 A 202 202 ILE H H 208 8.887 8.737 0.150 1 1 2276 . 15 1 1 A 202 202 ILE HA H 208 4.312 4.836 -0.524 1 1 2286 . 15 1 1 A 202 202 ILE C C 208 174.670 174.701 -0.031 1 1 2287 . 15 1 1 A 202 202 ILE CA C 208 60.815 59.603 1.212 1 1 2288 . 15 1 1 A 202 202 ILE CB C 208 41.576 40.584 0.992 1 1 2292 . 15 1 1 A 202 202 ILE N N 208 122.699 126.426 -3.727 1 1 2293 . 15 1 1 A 203 203 SER H H 209 8.416 8.794 -0.378 1 1 2294 . 15 1 1 A 203 203 SER HA H 209 4.913 5.283 -0.370 1 1 2297 . 15 1 1 A 203 203 SER C C 209 172.984 172.935 0.049 1 1 2298 . 15 1 1 A 203 203 SER CA C 209 55.676 56.355 -0.679 1 1 2299 . 15 1 1 A 203 203 SER CB C 209 64.355 65.189 -0.834 1 1 2300 . 15 1 1 A 203 203 SER N N 209 122.067 121.067 1.000 1 1 2301 . 15 1 1 A 204 204 GLY H H 210 7.292 7.785 -0.493 1 1 2302 . 15 1 1 A 204 204 GLY HA2 H 210 4.432 3.865 0.567 1 1 2303 . 15 1 1 A 204 204 GLY HA3 H 210 3.352 4.116 -0.764 1 1 2304 . 15 1 1 A 204 204 GLY C C 210 172.482 172.154 0.328 1 1 2305 . 15 1 1 A 204 204 GLY CA C 210 45.167 44.876 0.291 1 1 2306 . 15 1 1 A 204 204 GLY N N 210 110.488 111.178 -0.690 1 1 2307 . 15 1 1 A 205 205 SER H H 211 8.652 8.760 -0.108 1 1 2308 . 15 1 1 A 205 205 SER HA H 211 5.027 5.459 -0.432 1 1 2311 . 15 1 1 A 205 205 SER C C 211 172.852 173.456 -0.604 1 1 2312 . 15 1 1 A 205 205 SER CA C 211 58.806 57.483 1.323 1 1 2313 . 15 1 1 A 205 205 SER CB C 211 64.384 66.383 -1.999 1 1 2314 . 15 1 1 A 205 205 SER N N 211 116.497 117.013 -0.516 1 1 2315 . 15 1 1 A 206 206 VAL H H 212 7.400 9.096 -1.696 1 1 2316 . 15 1 1 A 206 206 VAL HA H 212 5.032 4.653 0.379 1 1 2324 . 15 1 1 A 206 206 VAL C C 212 174.500 174.699 -0.199 1 1 2325 . 15 1 1 A 206 206 VAL CA C 212 58.764 61.530 -2.766 1 1 2326 . 15 1 1 A 206 206 VAL CB C 212 30.512 34.570 -4.058 1 1 2329 . 15 1 1 A 206 206 VAL N N 212 117.101 124.105 -7.004 1 1 2330 . 15 1 1 A 207 207 LEU H H 213 8.961 8.923 0.038 1 1 2331 . 15 1 1 A 207 207 LEU HA H 213 5.312 4.820 0.492 1 1 2341 . 15 1 1 A 207 207 LEU C C 213 175.520 175.162 0.358 1 1 2342 . 15 1 1 A 207 207 LEU CA C 213 52.630 54.651 -2.021 1 1 2343 . 15 1 1 A 207 207 LEU CB C 213 45.567 43.290 2.277 1 1 2347 . 15 1 1 A 207 207 LEU N N 213 124.185 130.605 -6.420 1 1 2348 . 15 1 1 A 208 208 TYR H H 214 8.836 8.773 0.063 1 1 2349 . 15 1 1 A 208 208 TYR HA H 214 4.766 4.712 0.054 1 1 2356 . 15 1 1 A 208 208 TYR C C 214 175.964 175.260 0.704 1 1 2357 . 15 1 1 A 208 208 TYR CA C 214 56.943 57.743 -0.800 1 1 2358 . 15 1 1 A 208 208 TYR CB C 214 41.736 40.774 0.962 1 1 2359 . 15 1 1 A 208 208 TYR N N 214 120.202 128.286 -8.084 1 1 2360 . 15 1 1 A 209 209 ASN H H 215 9.292 9.133 0.159 1 1 2361 . 15 1 1 A 209 209 ASN HA H 215 4.001 4.276 -0.275 1 1 2366 . 15 1 1 A 209 209 ASN C C 215 174.336 174.305 0.031 1 1 2367 . 15 1 1 A 209 209 ASN CA C 215 53.923 54.084 -0.161 1 1 2368 . 15 1 1 A 209 209 ASN CB C 215 36.468 37.086 -0.618 1 1 2369 . 15 1 1 A 209 209 ASN N N 215 129.805 125.783 4.022 1 1 2371 . 15 1 1 A 210 210 GLN H H 216 8.614 8.486 0.128 1 1 2372 . 15 1 1 A 210 210 GLN HA H 216 3.453 3.870 -0.417 1 1 2379 . 15 1 1 A 210 210 GLN C C 216 173.521 174.641 -1.120 1 1 2380 . 15 1 1 A 210 210 GLN CA C 216 57.881 57.268 0.613 1 1 2381 . 15 1 1 A 210 210 GLN CB C 216 26.089 26.776 -0.687 1 1 2383 . 15 1 1 A 210 210 GLN N N 216 106.396 109.790 -3.394 1 1 2385 . 15 1 1 A 211 211 ALA H H 217 7.657 7.502 0.155 1 1 2386 . 15 1 1 A 211 211 ALA HA H 217 4.608 4.521 0.087 1 1 2390 . 15 1 1 A 211 211 ALA C C 217 176.432 177.007 -0.575 1 1 2391 . 15 1 1 A 211 211 ALA CA C 217 50.786 50.987 -0.201 1 1 2392 . 15 1 1 A 211 211 ALA CB C 217 20.499 20.814 -0.315 1 1 2393 . 15 1 1 A 211 211 ALA N N 217 123.338 118.335 5.003 1 1 2394 . 15 1 1 A 212 212 GLU H H 218 8.712 8.719 -0.007 1 1 2395 . 15 1 1 A 212 212 GLU HA H 218 4.525 4.257 0.268 1 1 2400 . 15 1 1 A 212 212 GLU C C 218 177.924 174.287 3.637 1 1 2401 . 15 1 1 A 212 212 GLU CA C 218 57.550 58.205 -0.655 1 1 2402 . 15 1 1 A 212 212 GLU CB C 218 28.811 29.114 -0.303 1 1 2404 . 15 1 1 A 212 212 GLU N N 218 122.631 116.559 6.072 1 1 2405 . 15 1 1 A 213 213 LYS H H 219 8.835 8.743 0.092 1 1 2406 . 15 1 1 A 213 213 LYS HA H 219 4.612 4.882 -0.270 1 1 2415 . 15 1 1 A 213 213 LYS C C 219 173.786 175.290 -1.504 1 1 2416 . 15 1 1 A 213 213 LYS CA C 219 53.115 55.577 -2.462 1 1 2417 . 15 1 1 A 213 213 LYS CB C 219 34.180 34.543 -0.363 1 1 2421 . 15 1 1 A 213 213 LYS N N 219 126.870 121.151 5.719 1 1 2422 . 15 1 1 A 214 214 GLY H H 220 7.929 9.276 -1.347 1 1 2423 . 15 1 1 A 214 214 GLY HA2 H 220 5.469 4.119 1.350 1 1 2424 . 15 1 1 A 214 214 GLY HA3 H 220 3.719 4.121 -0.402 1 1 2425 . 15 1 1 A 214 214 GLY C C 220 173.926 172.856 1.070 1 1 2426 . 15 1 1 A 214 214 GLY CA C 220 44.536 44.077 0.459 1 1 2427 . 15 1 1 A 214 214 GLY N N 220 107.019 112.885 -5.866 1 1 2428 . 15 1 1 A 215 215 SER H H 221 8.678 8.791 -0.113 1 1 2429 . 15 1 1 A 215 215 SER HA H 221 5.460 5.492 -0.032 1 1 2432 . 15 1 1 A 215 215 SER C C 221 171.043 173.126 -2.083 1 1 2433 . 15 1 1 A 215 215 SER CA C 221 56.810 57.036 -0.226 1 1 2434 . 15 1 1 A 215 215 SER CB C 221 66.671 66.477 0.194 1 1 2435 . 15 1 1 A 215 215 SER N N 221 117.334 113.766 3.568 1 1 2436 . 15 1 1 A 216 216 TYR H H 222 8.958 9.123 -0.165 1 1 2437 . 15 1 1 A 216 216 TYR HA H 222 5.389 5.590 -0.201 1 1 2445 . 15 1 1 A 216 216 TYR C C 222 172.789 172.682 0.107 1 1 2446 . 15 1 1 A 216 216 TYR CA C 222 55.819 55.667 0.152 1 1 2447 . 15 1 1 A 216 216 TYR CB C 222 41.681 42.382 -0.701 1 1 2448 . 15 1 1 A 216 216 TYR N N 222 117.645 119.016 -1.371 1 1 2449 . 15 1 1 A 217 217 SER H H 223 8.837 9.151 -0.314 1 1 2450 . 15 1 1 A 217 217 SER HA H 223 5.165 5.287 -0.122 1 1 2453 . 15 1 1 A 217 217 SER C C 223 173.125 172.619 0.506 1 1 2454 . 15 1 1 A 217 217 SER CA C 223 56.600 56.673 -0.073 1 1 2455 . 15 1 1 A 217 217 SER CB C 223 64.500 65.182 -0.682 1 1 2456 . 15 1 1 A 217 217 SER N N 223 115.593 115.839 -0.246 1 1 2457 . 15 1 1 A 218 218 LEU H H 224 9.299 8.582 0.717 1 1 2458 . 15 1 1 A 218 218 LEU HA H 224 4.748 4.945 -0.197 1 1 2468 . 15 1 1 A 218 218 LEU C C 224 175.567 174.955 0.612 1 1 2469 . 15 1 1 A 218 218 LEU CA C 224 53.138 53.390 -0.252 1 1 2470 . 15 1 1 A 218 218 LEU CB C 224 46.255 45.252 1.003 1 1 2474 . 15 1 1 A 218 218 LEU N N 224 123.523 121.640 1.883 1 1 2475 . 15 1 1 A 219 219 GLY H H 225 9.041 8.307 0.734 1 1 2476 . 15 1 1 A 219 219 GLY HA2 H 225 4.620 3.761 0.859 1 1 2477 . 15 1 1 A 219 219 GLY HA3 H 225 3.413 4.011 -0.598 1 1 2478 . 15 1 1 A 219 219 GLY C C 225 171.514 171.092 0.422 1 1 2479 . 15 1 1 A 219 219 GLY CA C 225 43.777 43.424 0.353 1 1 2480 . 15 1 1 A 219 219 GLY N N 225 108.999 105.894 3.105 1 1 2481 . 15 1 1 A 220 220 ILE H H 226 6.853 8.319 -1.466 1 1 2482 . 15 1 1 A 220 220 ILE HA H 226 4.615 4.404 0.211 1 1 2492 . 15 1 1 A 220 220 ILE C C 226 174.750 174.683 0.067 1 1 2493 . 15 1 1 A 220 220 ILE CA C 226 60.421 59.572 0.849 1 1 2494 . 15 1 1 A 220 220 ILE CB C 226 38.213 39.147 -0.934 1 1 2498 . 15 1 1 A 220 220 ILE N N 226 120.223 120.754 -0.531 1 1 2499 . 15 1 1 A 221 221 PHE H H 227 9.392 8.531 0.861 1 1 2500 . 15 1 1 A 221 221 PHE HA H 227 4.770 5.146 -0.376 1 1 2507 . 15 1 1 A 221 221 PHE C C 227 175.093 175.475 -0.382 1 1 2508 . 15 1 1 A 221 221 PHE CA C 227 58.053 56.314 1.739 1 1 2509 . 15 1 1 A 221 221 PHE CB C 227 42.505 42.362 0.143 1 1 2510 . 15 1 1 A 221 221 PHE N N 227 128.229 125.584 2.645 1 1 2511 . 15 1 1 A 222 222 GLY H H 228 8.675 8.476 0.199 1 1 2512 . 15 1 1 A 222 222 GLY HA2 H 228 3.174 3.703 -0.529 1 1 2513 . 15 1 1 A 222 222 GLY HA3 H 228 4.311 3.778 0.533 1 1 2514 . 15 1 1 A 222 222 GLY CA C 228 42.438 44.758 -2.320 1 1 2515 . 15 1 1 A 222 222 GLY N N 228 104.634 109.949 -5.315 1 1 2516 . 15 1 1 A 223 223 GLY CA C 229 46.870 46.347 0.523 1 1 2517 . 15 1 1 A 224 224 LYS H H 230 8.366 7.985 0.381 1 1 2518 . 15 1 1 A 224 224 LYS HA H 230 4.305 4.706 -0.401 1 1 2523 . 15 1 1 A 224 224 LYS C C 230 174.717 175.715 -0.998 1 1 2524 . 15 1 1 A 224 224 LYS CA C 230 54.119 57.635 -3.516 1 1 2525 . 15 1 1 A 224 224 LYS CB C 230 30.821 35.057 -4.236 1 1 2527 . 15 1 1 A 224 224 LYS N N 230 118.720 119.933 -1.213 1 1 2528 . 15 1 1 A 225 225 ALA H H 231 7.633 7.814 -0.181 1 1 2529 . 15 1 1 A 225 225 ALA HA H 231 3.810 4.592 -0.782 1 1 2533 . 15 1 1 A 225 225 ALA C C 231 176.702 177.530 -0.828 1 1 2534 . 15 1 1 A 225 225 ALA CA C 231 51.868 51.582 0.286 1 1 2535 . 15 1 1 A 225 225 ALA CB C 231 16.117 19.051 -2.934 1 1 2536 . 15 1 1 A 225 225 ALA N N 231 118.077 119.943 -1.866 1 1 2537 . 15 1 1 A 226 226 GLN H H 232 9.387 8.715 0.672 1 1 2538 . 15 1 1 A 226 226 GLN HA H 232 3.877 4.445 -0.568 1 1 2543 . 15 1 1 A 226 226 GLN C C 232 175.992 176.417 -0.425 1 1 2544 . 15 1 1 A 226 226 GLN CA C 232 60.989 58.085 2.904 1 1 2545 . 15 1 1 A 226 226 GLN CB C 232 28.695 29.787 -1.092 1 1 2547 . 15 1 1 A 226 226 GLN N N 232 117.991 121.552 -3.561 1 1 2548 . 15 1 1 A 227 227 GLU H H 233 8.825 7.818 1.007 1 1 2549 . 15 1 1 A 227 227 GLU HA H 233 5.411 4.803 0.608 1 1 2554 . 15 1 1 A 227 227 GLU C C 233 174.939 173.766 1.173 1 1 2555 . 15 1 1 A 227 227 GLU CA C 233 54.289 55.457 -1.168 1 1 2556 . 15 1 1 A 227 227 GLU CB C 233 33.797 32.657 1.140 1 1 2558 . 15 1 1 A 227 227 GLU N N 233 116.638 114.558 2.080 1 1 2559 . 15 1 1 A 228 228 VAL H H 234 8.343 8.801 -0.458 1 1 2560 . 15 1 1 A 228 228 VAL HA H 234 5.544 4.676 0.868 1 1 2568 . 15 1 1 A 228 228 VAL C C 234 174.839 174.419 0.420 1 1 2569 . 15 1 1 A 228 228 VAL CA C 234 57.867 59.929 -2.062 1 1 2570 . 15 1 1 A 228 228 VAL CB C 234 35.379 35.108 0.271 1 1 2573 . 15 1 1 A 228 228 VAL N N 234 109.304 115.810 -6.506 1 1 2574 . 15 1 1 A 229 229 ALA H H 235 8.475 7.943 0.532 1 1 2575 . 15 1 1 A 229 229 ALA HA H 235 4.937 4.884 0.053 1 1 2579 . 15 1 1 A 229 229 ALA C C 235 176.417 175.895 0.522 1 1 2580 . 15 1 1 A 229 229 ALA CA C 235 51.303 51.217 0.086 1 1 2581 . 15 1 1 A 229 229 ALA CB C 235 20.301 23.110 -2.809 1 1 2582 . 15 1 1 A 229 229 ALA N N 235 120.653 123.771 -3.118 1 1 2583 . 15 1 1 A 230 230 GLY H H 236 9.361 7.798 1.563 1 1 2584 . 15 1 1 A 230 230 GLY HA2 H 236 5.075 4.186 0.889 1 1 2585 . 15 1 1 A 230 230 GLY HA3 H 236 4.017 4.234 -0.217 1 1 2586 . 15 1 1 A 230 230 GLY C C 236 170.130 171.292 -1.162 1 1 2587 . 15 1 1 A 230 230 GLY CA C 236 46.221 45.913 0.308 1 1 2588 . 15 1 1 A 230 230 GLY N N 236 111.104 106.014 5.090 1 1 2589 . 15 1 1 A 231 231 SER H H 237 8.889 8.713 0.176 1 1 2590 . 15 1 1 A 231 231 SER HA H 237 5.276 5.050 0.226 1 1 2593 . 15 1 1 A 231 231 SER C C 237 171.360 172.413 -1.053 1 1 2594 . 15 1 1 A 231 231 SER CA C 237 56.498 57.548 -1.050 1 1 2595 . 15 1 1 A 231 231 SER CB C 237 66.398 65.241 1.157 1 1 2596 . 15 1 1 A 231 231 SER N N 237 115.308 115.432 -0.124 1 1 2597 . 15 1 1 A 232 232 ALA H H 238 9.083 9.089 -0.006 1 1 2598 . 15 1 1 A 232 232 ALA HA H 238 5.148 5.439 -0.291 1 1 2602 . 15 1 1 A 232 232 ALA C C 238 174.537 175.483 -0.946 1 1 2603 . 15 1 1 A 232 232 ALA CA C 238 49.904 50.473 -0.569 1 1 2604 . 15 1 1 A 232 232 ALA CB C 238 21.729 22.795 -1.066 1 1 2605 . 15 1 1 A 232 232 ALA N N 238 119.911 124.777 -4.866 1 1 2606 . 15 1 1 A 233 233 GLU H H 239 9.015 8.908 0.107 1 1 2607 . 15 1 1 A 233 233 GLU HA H 239 4.631 5.031 -0.400 1 1 2612 . 15 1 1 A 233 233 GLU C C 239 174.122 175.241 -1.119 1 1 2613 . 15 1 1 A 233 233 GLU CA C 239 54.786 54.517 0.269 1 1 2614 . 15 1 1 A 233 233 GLU CB C 239 31.355 32.956 -1.601 1 1 2616 . 15 1 1 A 233 233 GLU N N 239 122.744 121.830 0.914 1 1 2617 . 15 1 1 A 234 234 VAL H H 240 8.792 8.908 -0.116 1 1 2618 . 15 1 1 A 234 234 VAL HA H 240 4.394 4.681 -0.287 1 1 2623 . 15 1 1 A 234 234 VAL C C 240 174.833 174.630 0.203 1 1 2624 . 15 1 1 A 234 234 VAL CA C 240 61.427 59.438 1.989 1 1 2625 . 15 1 1 A 234 234 VAL CB C 240 33.863 35.491 -1.628 1 1 2627 . 15 1 1 A 234 234 VAL N N 240 124.203 120.563 3.640 1 1 2628 . 15 1 1 A 235 235 LYS H H 241 8.841 8.312 0.529 1 1 2629 . 15 1 1 A 235 235 LYS HA H 241 3.981 4.575 -0.594 1 1 2638 . 15 1 1 A 235 235 LYS C C 241 174.548 175.885 -1.337 1 1 2639 . 15 1 1 A 235 235 LYS CA C 241 55.955 56.704 -0.749 1 1 2640 . 15 1 1 A 235 235 LYS CB C 241 32.100 33.313 -1.213 1 1 2644 . 15 1 1 A 235 235 LYS N N 241 127.554 126.417 1.137 1 1 2645 . 15 1 1 A 236 236 THR H H 242 7.212 8.619 -1.407 1 1 2646 . 15 1 1 A 236 236 THR HA H 242 4.355 5.013 -0.658 1 1 2651 . 15 1 1 A 236 236 THR C C 242 176.482 174.430 2.052 1 1 2652 . 15 1 1 A 236 236 THR CA C 242 61.054 59.492 1.562 1 1 2653 . 15 1 1 A 236 236 THR CB C 242 72.642 71.353 1.289 1 1 2655 . 15 1 1 A 236 236 THR N N 242 114.463 114.181 0.282 1 1 2656 . 15 1 1 A 237 237 VAL H H 243 9.582 8.875 0.707 1 1 2657 . 15 1 1 A 237 237 VAL HA H 243 3.849 3.914 -0.065 1 1 2665 . 15 1 1 A 237 237 VAL C C 243 176.201 177.770 -1.569 1 1 2666 . 15 1 1 A 237 237 VAL CA C 243 64.701 65.204 -0.503 1 1 2667 . 15 1 1 A 237 237 VAL CB C 243 31.028 31.890 -0.862 1 1 2669 . 15 1 1 A 237 237 VAL N N 243 120.670 125.317 -4.647 1 1 2670 . 15 1 1 A 238 238 ASN H H 244 7.572 7.652 -0.080 1 1 2671 . 15 1 1 A 238 238 ASN HA H 244 4.882 4.733 0.149 1 1 2676 . 15 1 1 A 238 238 ASN C C 244 173.835 175.880 -2.045 1 1 2677 . 15 1 1 A 238 238 ASN CA C 244 52.022 53.258 -1.236 1 1 2678 . 15 1 1 A 238 238 ASN CB C 244 39.176 38.684 0.492 1 1 2679 . 15 1 1 A 238 238 ASN N N 244 115.638 116.751 -1.113 1 1 2681 . 15 1 1 A 239 239 GLY H H 245 7.362 8.479 -1.117 1 1 2682 . 15 1 1 A 239 239 GLY HA2 H 245 4.539 4.047 0.492 1 1 2683 . 15 1 1 A 239 239 GLY HA3 H 245 3.728 4.058 -0.330 1 1 2684 . 15 1 1 A 239 239 GLY C C 245 174.343 173.402 0.941 1 1 2685 . 15 1 1 A 239 239 GLY CA C 245 43.316 46.145 -2.829 1 1 2686 . 15 1 1 A 239 239 GLY N N 245 107.650 106.034 1.616 1 1 2687 . 15 1 1 A 240 240 ILE H H 246 8.672 8.392 0.280 1 1 2688 . 15 1 1 A 240 240 ILE HA H 246 4.351 4.790 -0.439 1 1 2698 . 15 1 1 A 240 240 ILE C C 246 176.899 173.595 3.304 1 1 2699 . 15 1 1 A 240 240 ILE CA C 246 61.120 58.955 2.165 1 1 2700 . 15 1 1 A 240 240 ILE CB C 246 36.906 42.300 -5.394 1 1 2704 . 15 1 1 A 240 240 ILE N N 246 122.673 125.348 -2.675 1 1 2705 . 15 1 1 A 241 241 ARG H H 247 9.233 8.583 0.650 1 1 2706 . 15 1 1 A 241 241 ARG HA H 247 4.370 5.294 -0.924 1 1 2713 . 15 1 1 A 241 241 ARG C C 247 173.925 174.292 -0.367 1 1 2714 . 15 1 1 A 241 241 ARG CA C 247 53.461 54.361 -0.900 1 1 2715 . 15 1 1 A 241 241 ARG CB C 247 31.910 34.033 -2.123 1 1 2718 . 15 1 1 A 241 241 ARG N N 247 128.497 127.105 1.392 1 1 2719 . 15 1 1 A 242 242 HIS H H 248 8.519 9.053 -0.534 1 1 2720 . 15 1 1 A 242 242 HIS HA H 248 5.323 5.351 -0.028 1 1 2725 . 15 1 1 A 242 242 HIS C C 248 174.635 174.730 -0.095 1 1 2726 . 15 1 1 A 242 242 HIS CA C 248 55.759 54.294 1.465 1 1 2727 . 15 1 1 A 242 242 HIS CB C 248 32.921 32.702 0.219 1 1 2728 . 15 1 1 A 242 242 HIS N N 248 121.131 122.449 -1.318 1 1 2729 . 15 1 1 A 243 243 ILE H H 249 8.723 9.145 -0.422 1 1 2730 . 15 1 1 A 243 243 ILE HA H 249 4.522 4.596 -0.074 1 1 2740 . 15 1 1 A 243 243 ILE C C 249 176.188 175.701 0.487 1 1 2741 . 15 1 1 A 243 243 ILE CA C 249 58.524 59.727 -1.203 1 1 2742 . 15 1 1 A 243 243 ILE CB C 249 41.977 41.609 0.368 1 1 2746 . 15 1 1 A 243 243 ILE N N 249 119.438 122.132 -2.694 1 1 2747 . 15 1 1 A 244 244 GLY H H 250 9.351 8.475 0.876 1 1 2748 . 15 1 1 A 244 244 GLY HA2 H 250 3.707 2.763 0.944 1 1 2749 . 15 1 1 A 244 244 GLY HA3 H 250 2.119 3.735 -1.616 1 1 2750 . 15 1 1 A 244 244 GLY C C 250 170.981 172.177 -1.196 1 1 2751 . 15 1 1 A 244 244 GLY CA C 250 44.178 44.348 -0.170 1 1 2752 . 15 1 1 A 244 244 GLY N N 250 113.700 114.764 -1.064 1 1 2753 . 15 1 1 A 245 245 LEU H H 251 7.833 8.449 -0.616 1 1 2754 . 15 1 1 A 245 245 LEU HA H 251 4.717 4.967 -0.250 1 1 2764 . 15 1 1 A 245 245 LEU C C 251 174.501 176.037 -1.536 1 1 2765 . 15 1 1 A 245 245 LEU CA C 251 52.508 53.643 -1.135 1 1 2766 . 15 1 1 A 245 245 LEU CB C 251 46.764 43.791 2.973 1 1 2770 . 15 1 1 A 245 245 LEU N N 251 120.798 123.886 -3.088 1 1 2771 . 15 1 1 A 246 246 ALA H H 252 7.906 8.680 -0.774 1 1 2772 . 15 1 1 A 246 246 ALA HA H 252 4.589 4.945 -0.356 1 1 2776 . 15 1 1 A 246 246 ALA C C 252 173.363 175.738 -2.375 1 1 2777 . 15 1 1 A 246 246 ALA CA C 252 51.546 51.529 0.017 1 1 2778 . 15 1 1 A 246 246 ALA CB C 252 21.524 20.691 0.833 1 1 2779 . 15 1 1 A 246 246 ALA N N 252 122.885 124.176 -1.291 1 1 2780 . 15 1 1 A 247 247 ALA H H 253 9.041 8.319 0.722 1 1 2781 . 15 1 1 A 247 247 ALA HA H 253 4.726 5.142 -0.416 1 1 2785 . 15 1 1 A 247 247 ALA C C 253 174.897 175.997 -1.100 1 1 2786 . 15 1 1 A 247 247 ALA CA C 253 51.723 51.650 0.073 1 1 2787 . 15 1 1 A 247 247 ALA CB C 253 22.967 22.782 0.185 1 1 2788 . 15 1 1 A 247 247 ALA N N 253 122.967 124.320 -1.353 1 1 2789 . 15 1 1 A 248 248 LYS H H 254 8.171 8.428 -0.257 1 1 2790 . 15 1 1 A 248 248 LYS HA H 254 5.731 5.060 0.671 1 1 2797 . 15 1 1 A 248 248 LYS C C 254 175.094 176.779 -1.685 1 1 2798 . 15 1 1 A 248 248 LYS CA C 254 53.866 54.472 -0.606 1 1 2799 . 15 1 1 A 248 248 LYS CB C 254 36.312 35.988 0.324 1 1 2802 . 15 1 1 A 248 248 LYS N N 254 115.734 119.912 -4.178 1 1 60 . 16 1 1 A 9 9 GLY H H 15 8.346 8.574 -0.228 1 1 61 . 16 1 1 A 9 9 GLY HA2 H 15 4.021 3.906 0.115 1 1 62 . 16 1 1 A 9 9 GLY HA3 H 15 3.772 3.907 -0.135 1 1 63 . 16 1 1 A 9 9 GLY C C 15 174.259 175.496 -1.237 1 1 64 . 16 1 1 A 9 9 GLY CA C 15 45.581 46.053 -0.472 1 1 65 . 16 1 1 A 9 9 GLY N N 15 107.368 110.682 -3.314 1 1 66 . 16 1 1 A 10 10 LEU H H 16 7.224 7.867 -0.643 1 1 67 . 16 1 1 A 10 10 LEU HA H 16 3.736 4.044 -0.308 1 1 77 . 16 1 1 A 10 10 LEU C C 16 178.202 178.453 -0.251 1 1 78 . 16 1 1 A 10 10 LEU CA C 16 57.915 58.108 -0.193 1 1 79 . 16 1 1 A 10 10 LEU CB C 16 40.686 41.342 -0.656 1 1 83 . 16 1 1 A 10 10 LEU N N 16 117.616 118.158 -0.542 1 1 84 . 16 1 1 A 11 11 ALA H H 17 7.860 8.228 -0.368 1 1 85 . 16 1 1 A 11 11 ALA HA H 17 3.937 4.032 -0.095 1 1 89 . 16 1 1 A 11 11 ALA C C 17 181.090 179.535 1.555 1 1 90 . 16 1 1 A 11 11 ALA CA C 17 54.860 55.810 -0.950 1 1 91 . 16 1 1 A 11 11 ALA CB C 17 17.248 18.448 -1.200 1 1 92 . 16 1 1 A 11 11 ALA N N 17 117.757 123.050 -5.293 1 1 93 . 16 1 1 A 12 12 ASP H H 18 8.017 8.137 -0.120 1 1 94 . 16 1 1 A 12 12 ASP HA H 18 4.223 4.427 -0.204 1 1 97 . 16 1 1 A 12 12 ASP C C 18 177.941 178.327 -0.386 1 1 98 . 16 1 1 A 12 12 ASP CA C 18 56.341 57.134 -0.793 1 1 99 . 16 1 1 A 12 12 ASP CB C 18 39.312 41.889 -2.577 1 1 100 . 16 1 1 A 12 12 ASP N N 18 118.410 118.000 0.410 1 1 101 . 16 1 1 A 13 13 ALA H H 19 8.205 7.629 0.576 1 1 102 . 16 1 1 A 13 13 ALA HA H 19 3.952 4.180 -0.228 1 1 106 . 16 1 1 A 13 13 ALA C C 19 178.856 180.155 -1.299 1 1 107 . 16 1 1 A 13 13 ALA CA C 19 55.039 54.747 0.292 1 1 108 . 16 1 1 A 13 13 ALA CB C 19 17.779 18.408 -0.629 1 1 109 . 16 1 1 A 13 13 ALA N N 19 121.480 121.757 -0.277 1 1 110 . 16 1 1 A 14 14 LEU H H 20 7.217 7.872 -0.655 1 1 111 . 16 1 1 A 14 14 LEU HA H 20 4.258 4.108 0.150 1 1 121 . 16 1 1 A 14 14 LEU C C 20 177.544 179.326 -1.782 1 1 122 . 16 1 1 A 14 14 LEU CA C 20 55.511 57.322 -1.811 1 1 123 . 16 1 1 A 14 14 LEU CB C 20 42.176 41.433 0.743 1 1 126 . 16 1 1 A 14 14 LEU N N 20 113.410 119.102 -5.692 1 1 127 . 16 1 1 A 15 15 THR H H 21 7.624 7.830 -0.206 1 1 128 . 16 1 1 A 15 15 THR HA H 21 4.394 4.064 0.330 1 1 133 . 16 1 1 A 15 15 THR C C 21 174.959 175.248 -0.289 1 1 134 . 16 1 1 A 15 15 THR CA C 21 61.733 65.317 -3.584 1 1 135 . 16 1 1 A 15 15 THR CB C 21 71.514 68.184 3.330 1 1 137 . 16 1 1 A 15 15 THR N N 21 106.072 111.527 -5.455 1 1 138 . 16 1 1 A 16 16 ALA H H 22 8.932 7.254 1.678 1 1 139 . 16 1 1 A 16 16 ALA HA H 22 4.624 4.448 0.176 1 1 143 . 16 1 1 A 16 16 ALA C C 22 175.978 176.542 -0.564 1 1 144 . 16 1 1 A 16 16 ALA CA C 22 50.681 53.284 -2.603 1 1 145 . 16 1 1 A 16 16 ALA CB C 22 18.728 21.032 -2.304 1 1 146 . 16 1 1 A 16 16 ALA N N 22 127.789 121.888 5.901 1 1 147 . 16 1 1 A 17 17 PRO HA H 23 4.430 4.698 -0.268 1 1 154 . 16 1 1 A 17 17 PRO CA C 23 61.497 62.314 -0.817 1 1 155 . 16 1 1 A 17 17 PRO CB C 23 31.775 32.929 -1.154 1 1 158 . 16 1 1 A 18 18 LEU H H 24 8.154 8.834 -0.680 1 1 159 . 16 1 1 A 18 18 LEU HA H 24 3.894 4.507 -0.613 1 1 169 . 16 1 1 A 18 18 LEU C C 24 176.447 174.122 2.325 1 1 170 . 16 1 1 A 18 18 LEU CA C 24 55.510 56.286 -0.776 1 1 171 . 16 1 1 A 18 18 LEU CB C 24 40.921 43.040 -2.119 1 1 175 . 16 1 1 A 18 18 LEU N N 24 121.010 121.262 -0.252 1 1 176 . 16 1 1 A 19 19 ASP H H 25 8.758 7.880 0.878 1 1 177 . 16 1 1 A 19 19 ASP HA H 25 4.626 5.168 -0.542 1 1 180 . 16 1 1 A 19 19 ASP C C 25 176.425 174.509 1.916 1 1 181 . 16 1 1 A 19 19 ASP CA C 25 52.688 52.697 -0.009 1 1 182 . 16 1 1 A 19 19 ASP CB C 25 42.819 45.476 -2.657 1 1 183 . 16 1 1 A 19 19 ASP N N 25 124.654 118.419 6.235 1 1 184 . 16 1 1 A 20 20 HIS HA H 26 4.272 4.930 -0.658 1 1 189 . 16 1 1 A 20 20 HIS CA C 26 58.100 55.710 2.390 1 1 190 . 16 1 1 A 20 20 HIS CB C 26 29.200 32.533 -3.333 1 1 191 . 16 1 1 A 21 21 LYS H H 27 8.348 8.865 -0.517 1 1 192 . 16 1 1 A 21 21 LYS HA H 27 3.970 3.821 0.149 1 1 201 . 16 1 1 A 21 21 LYS C C 27 177.393 176.405 0.988 1 1 202 . 16 1 1 A 21 21 LYS CA C 27 56.320 57.115 -0.795 1 1 203 . 16 1 1 A 21 21 LYS CB C 27 30.950 30.880 0.070 1 1 206 . 16 1 1 A 21 21 LYS N N 27 118.419 126.579 -8.160 1 1 207 . 16 1 1 A 22 22 ASP H H 28 7.451 8.033 -0.582 1 1 208 . 16 1 1 A 22 22 ASP HA H 28 4.307 4.229 0.078 1 1 211 . 16 1 1 A 22 22 ASP C C 28 176.212 177.218 -1.006 1 1 212 . 16 1 1 A 22 22 ASP CA C 28 54.164 57.734 -3.570 1 1 213 . 16 1 1 A 22 22 ASP CB C 28 40.091 41.268 -1.177 1 1 214 . 16 1 1 A 22 22 ASP N N 28 120.045 122.441 -2.396 1 1 215 . 16 1 1 A 23 23 LYS H H 29 8.416 7.630 0.786 1 1 216 . 16 1 1 A 23 23 LYS HA H 29 3.962 4.495 -0.533 1 1 225 . 16 1 1 A 23 23 LYS C C 29 177.409 175.660 1.749 1 1 226 . 16 1 1 A 23 23 LYS CA C 29 56.254 56.609 -0.355 1 1 227 . 16 1 1 A 23 23 LYS CB C 29 31.950 34.897 -2.947 1 1 231 . 16 1 1 A 23 23 LYS N N 29 121.925 113.546 8.379 1 1 232 . 16 1 1 A 24 24 GLY H H 30 8.612 7.924 0.688 1 1 233 . 16 1 1 A 24 24 GLY HA2 H 30 3.655 4.041 -0.386 1 1 234 . 16 1 1 A 24 24 GLY HA3 H 30 3.519 4.053 -0.534 1 1 235 . 16 1 1 A 24 24 GLY CA C 30 44.788 45.068 -0.280 1 1 236 . 16 1 1 A 24 24 GLY N N 30 111.487 108.812 2.675 1 1 237 . 16 1 1 A 25 25 LEU H H 31 8.054 8.216 -0.162 1 1 238 . 16 1 1 A 25 25 LEU HA H 31 3.770 4.319 -0.549 1 1 248 . 16 1 1 A 25 25 LEU CA C 31 55.906 56.005 -0.099 1 1 249 . 16 1 1 A 25 25 LEU CB C 31 44.428 42.158 2.270 1 1 253 . 16 1 1 A 25 25 LEU N N 31 127.196 121.737 5.459 1 1 254 . 16 1 1 A 26 26 GLN H H 32 9.184 8.726 0.458 1 1 255 . 16 1 1 A 26 26 GLN HA H 32 3.437 4.722 -1.285 1 1 262 . 16 1 1 A 26 26 GLN C C 32 174.347 175.106 -0.759 1 1 263 . 16 1 1 A 26 26 GLN CA C 32 57.926 55.163 2.763 1 1 264 . 16 1 1 A 26 26 GLN CB C 32 27.721 29.853 -2.132 1 1 266 . 16 1 1 A 26 26 GLN N N 32 131.782 122.301 9.481 1 1 268 . 16 1 1 A 27 27 SER H H 33 7.240 7.677 -0.437 1 1 269 . 16 1 1 A 27 27 SER HA H 33 4.981 5.332 -0.351 1 1 272 . 16 1 1 A 27 27 SER C C 33 171.111 172.450 -1.339 1 1 273 . 16 1 1 A 27 27 SER CA C 33 56.782 57.091 -0.309 1 1 274 . 16 1 1 A 27 27 SER CB C 33 64.611 66.130 -1.519 1 1 275 . 16 1 1 A 27 27 SER N N 33 108.936 112.318 -3.382 1 1 276 . 16 1 1 A 28 28 LEU H H 34 8.010 8.457 -0.447 1 1 277 . 16 1 1 A 28 28 LEU HA H 34 4.372 4.903 -0.531 1 1 287 . 16 1 1 A 28 28 LEU C C 34 174.697 175.126 -0.429 1 1 288 . 16 1 1 A 28 28 LEU CA C 34 53.332 53.680 -0.348 1 1 289 . 16 1 1 A 28 28 LEU CB C 34 45.636 43.669 1.967 1 1 293 . 16 1 1 A 28 28 LEU N N 34 121.826 124.630 -2.804 1 1 294 . 16 1 1 A 29 29 THR H H 35 8.810 8.793 0.017 1 1 295 . 16 1 1 A 29 29 THR HA H 35 4.046 4.295 -0.249 1 1 300 . 16 1 1 A 29 29 THR C C 35 172.792 174.464 -1.672 1 1 301 . 16 1 1 A 29 29 THR CA C 35 62.565 63.571 -1.006 1 1 302 . 16 1 1 A 29 29 THR CB C 35 68.233 68.869 -0.636 1 1 304 . 16 1 1 A 29 29 THR N N 35 123.892 123.176 0.716 1 1 305 . 16 1 1 A 30 30 LEU H H 36 8.662 8.727 -0.065 1 1 306 . 16 1 1 A 30 30 LEU HA H 36 4.150 4.708 -0.558 1 1 316 . 16 1 1 A 30 30 LEU C C 36 174.707 176.158 -1.451 1 1 317 . 16 1 1 A 30 30 LEU CA C 36 53.789 54.543 -0.754 1 1 318 . 16 1 1 A 30 30 LEU CB C 36 40.562 41.071 -0.509 1 1 322 . 16 1 1 A 30 30 LEU N N 36 128.365 128.264 0.101 1 1 323 . 16 1 1 A 31 31 ASP H H 37 8.500 8.818 -0.318 1 1 324 . 16 1 1 A 31 31 ASP HA H 37 4.837 4.851 -0.014 1 1 327 . 16 1 1 A 31 31 ASP CA C 37 54.657 54.493 0.164 1 1 328 . 16 1 1 A 31 31 ASP CB C 37 43.089 41.762 1.327 1 1 329 . 16 1 1 A 31 31 ASP N N 37 123.194 125.639 -2.445 1 1 330 . 16 1 1 A 32 32 GLN H H 38 10.453 8.075 2.378 1 1 331 . 16 1 1 A 32 32 GLN HA H 38 3.808 4.701 -0.893 1 1 338 . 16 1 1 A 32 32 GLN C C 38 178.535 177.559 0.976 1 1 339 . 16 1 1 A 32 32 GLN CA C 38 56.284 57.243 -0.959 1 1 340 . 16 1 1 A 32 32 GLN CB C 38 28.175 31.761 -3.586 1 1 342 . 16 1 1 A 32 32 GLN N N 38 120.692 119.785 0.907 1 1 344 . 16 1 1 A 33 33 SER H H 39 8.523 8.133 0.390 1 1 345 . 16 1 1 A 33 33 SER HA H 39 4.081 4.397 -0.316 1 1 348 . 16 1 1 A 33 33 SER C C 39 171.792 173.616 -1.824 1 1 349 . 16 1 1 A 33 33 SER CA C 39 61.436 61.389 0.047 1 1 350 . 16 1 1 A 33 33 SER CB C 39 63.008 63.624 -0.616 1 1 351 . 16 1 1 A 33 33 SER N N 39 111.712 114.549 -2.837 1 1 352 . 16 1 1 A 34 34 VAL H H 40 6.691 7.875 -1.184 1 1 353 . 16 1 1 A 34 34 VAL HA H 40 3.890 4.736 -0.846 1 1 361 . 16 1 1 A 34 34 VAL C C 40 172.251 174.054 -1.803 1 1 362 . 16 1 1 A 34 34 VAL CA C 40 60.415 59.505 0.910 1 1 363 . 16 1 1 A 34 34 VAL CB C 40 32.306 35.656 -3.350 1 1 366 . 16 1 1 A 34 34 VAL N N 40 115.971 118.631 -2.660 1 1 367 . 16 1 1 A 35 35 ARG H H 41 8.184 8.519 -0.335 1 1 368 . 16 1 1 A 35 35 ARG HA H 41 4.176 4.715 -0.539 1 1 375 . 16 1 1 A 35 35 ARG C C 41 176.886 177.771 -0.885 1 1 376 . 16 1 1 A 35 35 ARG CA C 41 55.599 54.247 1.352 1 1 377 . 16 1 1 A 35 35 ARG CB C 41 30.569 32.420 -1.851 1 1 380 . 16 1 1 A 35 35 ARG N N 41 125.397 124.051 1.346 1 1 381 . 16 1 1 A 36 36 LYS H H 42 8.493 8.565 -0.072 1 1 382 . 16 1 1 A 36 36 LYS HA H 42 3.778 3.996 -0.218 1 1 391 . 16 1 1 A 36 36 LYS C C 42 176.596 177.026 -0.430 1 1 392 . 16 1 1 A 36 36 LYS CA C 42 58.687 58.882 -0.195 1 1 393 . 16 1 1 A 36 36 LYS CB C 42 31.959 32.490 -0.531 1 1 397 . 16 1 1 A 36 36 LYS N N 42 119.360 119.262 0.098 1 1 398 . 16 1 1 A 37 37 ASN H H 43 8.513 8.064 0.449 1 1 399 . 16 1 1 A 37 37 ASN HA H 43 4.438 4.984 -0.546 1 1 404 . 16 1 1 A 37 37 ASN C C 43 173.867 173.433 0.434 1 1 405 . 16 1 1 A 37 37 ASN CA C 43 55.127 52.248 2.879 1 1 406 . 16 1 1 A 37 37 ASN CB C 43 37.071 38.444 -1.373 1 1 407 . 16 1 1 A 37 37 ASN N N 43 115.488 114.136 1.352 1 1 409 . 16 1 1 A 38 38 GLU H H 44 7.793 8.729 -0.936 1 1 410 . 16 1 1 A 38 38 GLU HA H 44 4.772 5.101 -0.329 1 1 413 . 16 1 1 A 38 38 GLU C C 44 175.262 173.891 1.371 1 1 414 . 16 1 1 A 38 38 GLU CA C 44 54.808 54.887 -0.079 1 1 415 . 16 1 1 A 38 38 GLU CB C 44 32.321 33.642 -1.321 1 1 416 . 16 1 1 A 38 38 GLU N N 44 118.734 124.545 -5.811 1 1 417 . 16 1 1 A 39 39 LYS H H 45 8.706 8.740 -0.034 1 1 418 . 16 1 1 A 39 39 LYS HA H 45 4.606 5.217 -0.611 1 1 427 . 16 1 1 A 39 39 LYS C C 45 174.312 174.761 -0.449 1 1 428 . 16 1 1 A 39 39 LYS CA C 45 52.782 54.617 -1.835 1 1 429 . 16 1 1 A 39 39 LYS CB C 45 35.174 36.074 -0.900 1 1 433 . 16 1 1 A 39 39 LYS N N 45 117.132 126.786 -9.654 1 1 434 . 16 1 1 A 40 40 LEU H H 46 9.085 8.718 0.367 1 1 435 . 16 1 1 A 40 40 LEU HA H 46 5.044 5.072 -0.028 1 1 442 . 16 1 1 A 40 40 LEU C C 46 173.778 174.062 -0.284 1 1 443 . 16 1 1 A 40 40 LEU CA C 46 52.590 52.954 -0.364 1 1 444 . 16 1 1 A 40 40 LEU CB C 46 44.855 45.256 -0.401 1 1 447 . 16 1 1 A 40 40 LEU N N 46 125.335 121.364 3.971 1 1 448 . 16 1 1 A 41 41 LYS H H 47 9.263 8.377 0.886 1 1 449 . 16 1 1 A 41 41 LYS HA H 47 5.049 4.670 0.379 1 1 458 . 16 1 1 A 41 41 LYS C C 47 175.616 174.568 1.048 1 1 459 . 16 1 1 A 41 41 LYS CA C 47 53.864 55.216 -1.352 1 1 460 . 16 1 1 A 41 41 LYS CB C 47 32.986 33.906 -0.920 1 1 464 . 16 1 1 A 41 41 LYS N N 47 129.833 121.422 8.411 1 1 465 . 16 1 1 A 42 42 LEU H H 48 8.954 8.925 0.029 1 1 466 . 16 1 1 A 42 42 LEU HA H 48 5.458 5.460 -0.002 1 1 476 . 16 1 1 A 42 42 LEU C C 48 175.565 175.016 0.549 1 1 477 . 16 1 1 A 42 42 LEU CA C 48 51.964 53.389 -1.425 1 1 478 . 16 1 1 A 42 42 LEU CB C 48 44.393 45.450 -1.057 1 1 482 . 16 1 1 A 42 42 LEU N N 48 126.292 126.912 -0.620 1 1 483 . 16 1 1 A 43 43 ALA H H 49 8.804 8.693 0.111 1 1 484 . 16 1 1 A 43 43 ALA HA H 49 5.304 5.131 0.173 1 1 488 . 16 1 1 A 43 43 ALA C C 49 176.301 175.757 0.544 1 1 489 . 16 1 1 A 43 43 ALA CA C 49 51.004 51.496 -0.492 1 1 490 . 16 1 1 A 43 43 ALA CB C 49 23.453 23.573 -0.120 1 1 491 . 16 1 1 A 43 43 ALA N N 49 120.789 127.180 -6.391 1 1 492 . 16 1 1 A 44 44 ALA H H 50 8.117 8.422 -0.305 1 1 493 . 16 1 1 A 44 44 ALA HA H 50 4.485 4.587 -0.102 1 1 497 . 16 1 1 A 44 44 ALA C C 50 176.254 176.708 -0.454 1 1 498 . 16 1 1 A 44 44 ALA CA C 50 53.021 51.568 1.453 1 1 499 . 16 1 1 A 44 44 ALA CB C 50 23.682 22.397 1.285 1 1 500 . 16 1 1 A 44 44 ALA N N 50 120.678 120.486 0.192 1 1 501 . 16 1 1 A 45 45 GLN H H 51 9.035 9.390 -0.355 1 1 502 . 16 1 1 A 45 45 GLN HA H 51 3.774 3.935 -0.161 1 1 509 . 16 1 1 A 45 45 GLN C C 51 175.259 174.989 0.270 1 1 510 . 16 1 1 A 45 45 GLN CA C 51 56.074 56.764 -0.690 1 1 511 . 16 1 1 A 45 45 GLN CB C 51 27.339 27.585 -0.246 1 1 513 . 16 1 1 A 45 45 GLN N N 51 116.299 121.554 -5.255 1 1 515 . 16 1 1 A 46 46 GLY H H 52 8.441 8.658 -0.217 1 1 516 . 16 1 1 A 46 46 GLY HA2 H 52 4.066 3.827 0.239 1 1 517 . 16 1 1 A 46 46 GLY HA3 H 52 3.510 3.829 -0.319 1 1 518 . 16 1 1 A 46 46 GLY C C 52 173.050 173.795 -0.745 1 1 519 . 16 1 1 A 46 46 GLY CA C 52 44.998 45.383 -0.385 1 1 520 . 16 1 1 A 46 46 GLY N N 52 105.419 105.432 -0.013 1 1 521 . 16 1 1 A 47 47 ALA H H 53 8.152 7.600 0.552 1 1 522 . 16 1 1 A 47 47 ALA HA H 53 4.767 4.872 -0.105 1 1 526 . 16 1 1 A 47 47 ALA C C 53 175.989 176.265 -0.276 1 1 527 . 16 1 1 A 47 47 ALA CA C 53 49.918 50.846 -0.928 1 1 528 . 16 1 1 A 47 47 ALA CB C 53 22.720 22.259 0.461 1 1 529 . 16 1 1 A 47 47 ALA N N 53 124.355 122.892 1.463 1 1 530 . 16 1 1 A 48 48 GLU H H 54 8.156 9.249 -1.093 1 1 531 . 16 1 1 A 48 48 GLU HA H 54 5.488 5.348 0.140 1 1 536 . 16 1 1 A 48 48 GLU C C 54 174.224 173.772 0.452 1 1 537 . 16 1 1 A 48 48 GLU CA C 54 54.346 55.055 -0.709 1 1 538 . 16 1 1 A 48 48 GLU CB C 54 34.305 33.568 0.737 1 1 540 . 16 1 1 A 48 48 GLU N N 54 116.655 116.301 0.354 1 1 541 . 16 1 1 A 49 49 LYS H H 55 8.852 9.572 -0.720 1 1 542 . 16 1 1 A 49 49 LYS HA H 55 4.190 5.077 -0.887 1 1 549 . 16 1 1 A 49 49 LYS C C 55 172.887 174.935 -2.048 1 1 550 . 16 1 1 A 49 49 LYS CA C 55 56.414 54.555 1.859 1 1 551 . 16 1 1 A 49 49 LYS CB C 55 34.723 35.052 -0.329 1 1 554 . 16 1 1 A 49 49 LYS N N 55 122.922 124.111 -1.189 1 1 555 . 16 1 1 A 50 50 THR H H 56 7.910 8.950 -1.040 1 1 556 . 16 1 1 A 50 50 THR HA H 56 4.908 4.729 0.179 1 1 561 . 16 1 1 A 50 50 THR C C 56 173.112 173.481 -0.369 1 1 562 . 16 1 1 A 50 50 THR CA C 56 61.998 62.240 -0.242 1 1 563 . 16 1 1 A 50 50 THR CB C 56 68.596 68.894 -0.298 1 1 565 . 16 1 1 A 50 50 THR N N 56 120.811 123.287 -2.476 1 1 566 . 16 1 1 A 51 51 TYR H H 57 9.432 8.833 0.599 1 1 567 . 16 1 1 A 51 51 TYR HA H 57 4.493 5.272 -0.779 1 1 574 . 16 1 1 A 51 51 TYR C C 57 174.156 173.581 0.575 1 1 575 . 16 1 1 A 51 51 TYR CA C 57 57.375 55.785 1.590 1 1 576 . 16 1 1 A 51 51 TYR CB C 57 41.895 41.642 0.253 1 1 577 . 16 1 1 A 51 51 TYR N N 57 127.372 124.661 2.711 1 1 578 . 16 1 1 A 52 52 GLY H H 58 9.154 8.605 0.549 1 1 579 . 16 1 1 A 52 52 GLY HA2 H 58 3.543 4.283 -0.740 1 1 580 . 16 1 1 A 52 52 GLY HA3 H 58 3.543 4.305 -0.762 1 1 581 . 16 1 1 A 52 52 GLY C C 58 172.527 172.434 0.093 1 1 582 . 16 1 1 A 52 52 GLY CA C 58 42.304 45.991 -3.687 1 1 583 . 16 1 1 A 52 52 GLY N N 58 108.920 107.020 1.900 1 1 584 . 16 1 1 A 53 53 ASN H H 59 8.877 8.511 0.366 1 1 585 . 16 1 1 A 53 53 ASN HA H 59 4.034 4.503 -0.469 1 1 588 . 16 1 1 A 53 53 ASN C C 59 176.319 176.301 0.018 1 1 589 . 16 1 1 A 53 53 ASN CA C 59 57.108 54.928 2.180 1 1 590 . 16 1 1 A 53 53 ASN CB C 59 39.672 38.047 1.625 1 1 591 . 16 1 1 A 53 53 ASN N N 59 117.281 120.429 -3.148 1 1 592 . 16 1 1 A 54 54 GLY H H 60 8.949 8.813 0.136 1 1 593 . 16 1 1 A 54 54 GLY HA2 H 60 4.222 3.895 0.327 1 1 594 . 16 1 1 A 54 54 GLY HA3 H 60 3.348 3.896 -0.548 1 1 595 . 16 1 1 A 54 54 GLY C C 60 174.096 173.488 0.608 1 1 596 . 16 1 1 A 54 54 GLY CA C 60 44.931 45.588 -0.657 1 1 597 . 16 1 1 A 54 54 GLY N N 60 114.860 113.492 1.368 1 1 598 . 16 1 1 A 55 55 ASP H H 61 7.991 7.977 0.014 1 1 599 . 16 1 1 A 55 55 ASP HA H 61 4.493 4.816 -0.323 1 1 602 . 16 1 1 A 55 55 ASP C C 61 174.727 175.093 -0.366 1 1 603 . 16 1 1 A 55 55 ASP CA C 61 54.408 52.742 1.666 1 1 604 . 16 1 1 A 55 55 ASP CB C 61 41.780 42.535 -0.755 1 1 605 . 16 1 1 A 55 55 ASP N N 61 121.974 121.409 0.565 1 1 606 . 16 1 1 A 56 56 SER H H 62 8.485 8.407 0.078 1 1 607 . 16 1 1 A 56 56 SER HA H 62 4.959 5.151 -0.192 1 1 610 . 16 1 1 A 56 56 SER C C 62 173.099 172.298 0.801 1 1 611 . 16 1 1 A 56 56 SER CA C 62 57.154 57.023 0.131 1 1 612 . 16 1 1 A 56 56 SER CB C 62 64.522 66.422 -1.900 1 1 613 . 16 1 1 A 56 56 SER N N 62 113.088 113.700 -0.612 1 1 614 . 16 1 1 A 57 57 LEU H H 63 9.004 8.243 0.761 1 1 615 . 16 1 1 A 57 57 LEU HA H 63 4.500 4.290 0.210 1 1 625 . 16 1 1 A 57 57 LEU C C 63 175.943 176.100 -0.157 1 1 626 . 16 1 1 A 57 57 LEU CA C 63 53.070 55.835 -2.765 1 1 627 . 16 1 1 A 57 57 LEU CB C 63 43.800 42.481 1.319 1 1 630 . 16 1 1 A 57 57 LEU N N 63 126.423 127.173 -0.750 1 1 631 . 16 1 1 A 58 58 ASN H H 64 8.484 8.650 -0.166 1 1 632 . 16 1 1 A 58 58 ASN HA H 64 4.752 4.755 -0.003 1 1 635 . 16 1 1 A 58 58 ASN C C 64 173.916 175.071 -1.155 1 1 636 . 16 1 1 A 58 58 ASN CA C 64 50.587 53.619 -3.032 1 1 637 . 16 1 1 A 58 58 ASN CB C 64 35.153 38.337 -3.184 1 1 638 . 16 1 1 A 58 58 ASN N N 64 125.624 125.444 0.180 1 1 639 . 16 1 1 A 59 59 THR H H 65 7.747 8.455 -0.708 1 1 640 . 16 1 1 A 59 59 THR HA H 65 4.770 4.617 0.153 1 1 645 . 16 1 1 A 59 59 THR C C 65 177.245 174.287 2.958 1 1 646 . 16 1 1 A 59 59 THR CA C 65 63.213 61.189 2.024 1 1 647 . 16 1 1 A 59 59 THR CB C 65 63.510 70.232 -6.722 1 1 649 . 16 1 1 A 59 59 THR N N 65 113.770 120.300 -6.530 1 1 650 . 16 1 1 A 60 60 GLY H H 66 8.869 8.214 0.655 1 1 651 . 16 1 1 A 60 60 GLY HA2 H 66 3.839 3.919 -0.080 1 1 652 . 16 1 1 A 60 60 GLY HA3 H 66 3.724 3.920 -0.196 1 1 653 . 16 1 1 A 60 60 GLY C C 66 173.279 175.090 -1.811 1 1 654 . 16 1 1 A 60 60 GLY CA C 66 44.892 45.527 -0.635 1 1 655 . 16 1 1 A 60 60 GLY N N 66 114.430 110.412 4.018 1 1 656 . 16 1 1 A 61 61 LYS H H 67 6.376 8.513 -2.137 1 1 657 . 16 1 1 A 61 61 LYS HA H 67 4.021 3.919 0.102 1 1 666 . 16 1 1 A 61 61 LYS C C 67 176.315 175.095 1.220 1 1 667 . 16 1 1 A 61 61 LYS CA C 67 54.298 57.208 -2.910 1 1 668 . 16 1 1 A 61 61 LYS CB C 67 32.200 31.210 0.990 1 1 672 . 16 1 1 A 61 61 LYS N N 67 112.620 121.350 -8.730 1 1 673 . 16 1 1 A 62 62 LEU H H 68 7.335 7.605 -0.270 1 1 674 . 16 1 1 A 62 62 LEU HA H 68 4.275 4.834 -0.559 1 1 684 . 16 1 1 A 62 62 LEU C C 68 176.306 175.981 0.325 1 1 685 . 16 1 1 A 62 62 LEU CA C 68 52.479 53.338 -0.859 1 1 686 . 16 1 1 A 62 62 LEU CB C 68 40.600 45.838 -5.238 1 1 689 . 16 1 1 A 62 62 LEU N N 68 116.704 119.052 -2.348 1 1 690 . 16 1 1 A 63 63 LYS H H 69 8.506 8.266 0.240 1 1 691 . 16 1 1 A 63 63 LYS HA H 69 3.992 4.418 -0.426 1 1 700 . 16 1 1 A 63 63 LYS C C 69 175.886 175.873 0.013 1 1 701 . 16 1 1 A 63 63 LYS CA C 69 54.986 56.132 -1.146 1 1 702 . 16 1 1 A 63 63 LYS CB C 69 32.447 32.671 -0.224 1 1 706 . 16 1 1 A 63 63 LYS N N 69 119.841 121.668 -1.827 1 1 707 . 16 1 1 A 64 64 ASN H H 70 8.080 8.651 -0.571 1 1 708 . 16 1 1 A 64 64 ASN HA H 70 3.839 5.072 -1.233 1 1 713 . 16 1 1 A 64 64 ASN C C 70 174.449 175.130 -0.681 1 1 714 . 16 1 1 A 64 64 ASN CA C 70 54.417 52.040 2.377 1 1 715 . 16 1 1 A 64 64 ASN CB C 70 38.129 40.136 -2.007 1 1 716 . 16 1 1 A 64 64 ASN N N 70 121.515 122.880 -1.365 1 1 718 . 16 1 1 A 65 65 ASP H H 71 9.218 9.026 0.192 1 1 719 . 16 1 1 A 65 65 ASP HA H 71 3.690 4.257 -0.567 1 1 722 . 16 1 1 A 65 65 ASP C C 71 173.016 174.933 -1.917 1 1 723 . 16 1 1 A 65 65 ASP CA C 71 54.726 55.003 -0.277 1 1 724 . 16 1 1 A 65 65 ASP CB C 71 38.534 39.828 -1.294 1 1 725 . 16 1 1 A 65 65 ASP N N 71 113.370 121.324 -7.954 1 1 726 . 16 1 1 A 66 66 LYS H H 72 6.443 7.440 -0.997 1 1 727 . 16 1 1 A 66 66 LYS HA H 72 4.411 4.617 -0.206 1 1 734 . 16 1 1 A 66 66 LYS C C 72 174.745 174.145 0.600 1 1 735 . 16 1 1 A 66 66 LYS CA C 72 53.094 54.948 -1.854 1 1 736 . 16 1 1 A 66 66 LYS CB C 72 36.099 34.750 1.349 1 1 739 . 16 1 1 A 66 66 LYS N N 72 113.415 114.486 -1.071 1 1 740 . 16 1 1 A 67 67 VAL H H 73 8.679 8.574 0.105 1 1 741 . 16 1 1 A 67 67 VAL HA H 73 4.189 4.384 -0.195 1 1 749 . 16 1 1 A 67 67 VAL C C 73 176.630 175.077 1.553 1 1 750 . 16 1 1 A 67 67 VAL CA C 73 62.135 60.737 1.398 1 1 751 . 16 1 1 A 67 67 VAL CB C 73 32.001 32.868 -0.867 1 1 753 . 16 1 1 A 67 67 VAL N N 73 122.098 122.418 -0.320 1 1 754 . 16 1 1 A 68 68 SER H H 74 9.497 9.061 0.436 1 1 755 . 16 1 1 A 68 68 SER HA H 74 4.507 4.654 -0.147 1 1 758 . 16 1 1 A 68 68 SER C C 74 172.249 174.229 -1.980 1 1 759 . 16 1 1 A 68 68 SER CA C 74 58.323 58.275 0.048 1 1 760 . 16 1 1 A 68 68 SER CB C 74 64.028 64.012 0.016 1 1 761 . 16 1 1 A 68 68 SER N N 74 127.048 123.615 3.433 1 1 762 . 16 1 1 A 69 69 ARG H H 75 7.848 8.117 -0.269 1 1 763 . 16 1 1 A 69 69 ARG HA H 75 5.031 4.845 0.186 1 1 770 . 16 1 1 A 69 69 ARG C C 75 173.300 175.441 -2.141 1 1 771 . 16 1 1 A 69 69 ARG CA C 75 55.337 55.383 -0.046 1 1 772 . 16 1 1 A 69 69 ARG CB C 75 31.871 31.612 0.259 1 1 775 . 16 1 1 A 69 69 ARG N N 75 122.621 123.096 -0.475 1 1 776 . 16 1 1 A 70 70 PHE H H 76 9.246 8.710 0.536 1 1 777 . 16 1 1 A 70 70 PHE HA H 76 4.808 4.962 -0.154 1 1 784 . 16 1 1 A 70 70 PHE C C 76 175.788 174.324 1.464 1 1 785 . 16 1 1 A 70 70 PHE CA C 76 55.245 56.661 -1.416 1 1 786 . 16 1 1 A 70 70 PHE CB C 76 43.645 43.077 0.568 1 1 787 . 16 1 1 A 70 70 PHE N N 76 118.087 119.511 -1.424 1 1 788 . 16 1 1 A 71 71 ASP H H 77 9.144 9.266 -0.122 1 1 789 . 16 1 1 A 71 71 ASP HA H 77 5.360 5.030 0.330 1 1 792 . 16 1 1 A 71 71 ASP C C 77 176.477 175.425 1.052 1 1 793 . 16 1 1 A 71 71 ASP CA C 77 55.131 53.975 1.156 1 1 794 . 16 1 1 A 71 71 ASP CB C 77 41.301 42.102 -0.801 1 1 795 . 16 1 1 A 71 71 ASP N N 77 123.565 123.821 -0.256 1 1 796 . 16 1 1 A 72 72 PHE H H 78 9.094 8.566 0.528 1 1 797 . 16 1 1 A 72 72 PHE HA H 78 6.431 5.198 1.233 1 1 805 . 16 1 1 A 72 72 PHE C C 78 174.014 173.361 0.653 1 1 806 . 16 1 1 A 72 72 PHE CA C 78 54.934 57.093 -2.159 1 1 807 . 16 1 1 A 72 72 PHE CB C 78 42.491 42.709 -0.218 1 1 808 . 16 1 1 A 72 72 PHE N N 78 119.663 124.810 -5.147 1 1 809 . 16 1 1 A 73 73 ILE H H 79 8.623 8.618 0.005 1 1 810 . 16 1 1 A 73 73 ILE HA H 79 4.334 4.948 -0.614 1 1 820 . 16 1 1 A 73 73 ILE C C 79 173.961 174.115 -0.154 1 1 821 . 16 1 1 A 73 73 ILE CA C 79 61.222 60.639 0.583 1 1 822 . 16 1 1 A 73 73 ILE CB C 79 41.918 40.615 1.303 1 1 826 . 16 1 1 A 73 73 ILE N N 79 119.750 126.494 -6.744 1 1 827 . 16 1 1 A 74 74 ARG H H 80 9.052 9.100 -0.048 1 1 828 . 16 1 1 A 74 74 ARG HA H 80 5.311 4.998 0.313 1 1 835 . 16 1 1 A 74 74 ARG C C 80 174.870 174.965 -0.095 1 1 836 . 16 1 1 A 74 74 ARG CA C 80 54.449 54.408 0.041 1 1 837 . 16 1 1 A 74 74 ARG CB C 80 33.740 33.029 0.711 1 1 840 . 16 1 1 A 74 74 ARG N N 80 128.407 129.551 -1.144 1 1 841 . 16 1 1 A 75 75 GLN H H 81 9.304 8.856 0.448 1 1 842 . 16 1 1 A 75 75 GLN HA H 81 5.562 4.960 0.602 1 1 849 . 16 1 1 A 75 75 GLN C C 81 173.678 173.758 -0.080 1 1 850 . 16 1 1 A 75 75 GLN CA C 81 53.745 54.706 -0.961 1 1 851 . 16 1 1 A 75 75 GLN CB C 81 34.013 32.622 1.391 1 1 853 . 16 1 1 A 75 75 GLN N N 81 125.481 126.309 -0.828 1 1 855 . 16 1 1 A 76 76 ILE H H 82 8.592 8.814 -0.222 1 1 856 . 16 1 1 A 76 76 ILE HA H 82 4.576 4.737 -0.161 1 1 866 . 16 1 1 A 76 76 ILE C C 82 172.511 175.206 -2.695 1 1 867 . 16 1 1 A 76 76 ILE CA C 82 59.622 59.417 0.205 1 1 868 . 16 1 1 A 76 76 ILE CB C 82 42.248 41.917 0.331 1 1 872 . 16 1 1 A 76 76 ILE N N 82 115.536 124.903 -9.367 1 1 873 . 16 1 1 A 77 77 GLU H H 83 8.433 8.406 0.027 1 1 874 . 16 1 1 A 77 77 GLU HA H 83 4.936 4.485 0.451 1 1 879 . 16 1 1 A 77 77 GLU C C 83 175.614 175.786 -0.172 1 1 880 . 16 1 1 A 77 77 GLU CA C 83 54.812 56.682 -1.870 1 1 881 . 16 1 1 A 77 77 GLU CB C 83 30.465 30.144 0.321 1 1 883 . 16 1 1 A 77 77 GLU N N 83 124.858 125.222 -0.364 1 1 884 . 16 1 1 A 78 78 VAL H H 84 8.879 8.338 0.541 1 1 885 . 16 1 1 A 78 78 VAL HA H 84 4.076 4.341 -0.265 1 1 893 . 16 1 1 A 78 78 VAL C C 84 175.694 176.304 -0.610 1 1 894 . 16 1 1 A 78 78 VAL CA C 84 61.382 60.976 0.406 1 1 895 . 16 1 1 A 78 78 VAL CB C 84 34.014 31.110 2.904 1 1 897 . 16 1 1 A 78 78 VAL N N 84 126.973 126.174 0.799 1 1 898 . 16 1 1 A 79 79 ASP H H 85 9.329 9.188 0.141 1 1 899 . 16 1 1 A 79 79 ASP HA H 85 4.156 4.262 -0.106 1 1 902 . 16 1 1 A 79 79 ASP C C 85 175.774 175.635 0.139 1 1 903 . 16 1 1 A 79 79 ASP CA C 85 55.125 55.166 -0.041 1 1 904 . 16 1 1 A 79 79 ASP CB C 85 38.926 39.715 -0.789 1 1 905 . 16 1 1 A 79 79 ASP N N 85 129.387 128.042 1.345 1 1 906 . 16 1 1 A 80 80 GLY H H 86 8.575 8.595 -0.020 1 1 907 . 16 1 1 A 80 80 GLY HA2 H 86 3.992 3.850 0.142 1 1 908 . 16 1 1 A 80 80 GLY HA3 H 86 3.507 3.852 -0.345 1 1 909 . 16 1 1 A 80 80 GLY C C 86 173.366 173.843 -0.477 1 1 910 . 16 1 1 A 80 80 GLY CA C 86 44.759 45.458 -0.699 1 1 911 . 16 1 1 A 80 80 GLY N N 86 103.293 104.070 -0.777 1 1 912 . 16 1 1 A 81 81 GLN H H 87 7.751 8.095 -0.344 1 1 913 . 16 1 1 A 81 81 GLN HA H 87 4.482 4.606 -0.124 1 1 918 . 16 1 1 A 81 81 GLN C C 87 173.874 174.957 -1.083 1 1 919 . 16 1 1 A 81 81 GLN CA C 87 53.328 54.583 -1.255 1 1 920 . 16 1 1 A 81 81 GLN CB C 87 30.670 30.616 0.054 1 1 922 . 16 1 1 A 81 81 GLN N N 87 119.688 119.044 0.644 1 1 923 . 16 1 1 A 82 82 LEU H H 88 8.418 9.062 -0.644 1 1 924 . 16 1 1 A 82 82 LEU HA H 88 4.630 4.706 -0.076 1 1 934 . 16 1 1 A 82 82 LEU C C 88 176.289 175.878 0.411 1 1 935 . 16 1 1 A 82 82 LEU CA C 88 53.834 53.825 0.009 1 1 936 . 16 1 1 A 82 82 LEU CB C 88 41.737 41.312 0.425 1 1 940 . 16 1 1 A 82 82 LEU N N 88 123.523 123.753 -0.230 1 1 941 . 16 1 1 A 83 83 ILE H H 89 9.146 8.243 0.903 1 1 942 . 16 1 1 A 83 83 ILE HA H 89 4.249 4.447 -0.198 1 1 952 . 16 1 1 A 83 83 ILE C C 89 175.698 175.811 -0.113 1 1 953 . 16 1 1 A 83 83 ILE CA C 89 59.363 61.189 -1.826 1 1 954 . 16 1 1 A 83 83 ILE CB C 89 39.633 38.371 1.262 1 1 958 . 16 1 1 A 83 83 ILE N N 89 127.151 123.746 3.405 1 1 959 . 16 1 1 A 84 84 THR H H 90 8.656 8.463 0.193 1 1 960 . 16 1 1 A 84 84 THR HA H 90 4.203 5.224 -1.021 1 1 965 . 16 1 1 A 84 84 THR C C 90 172.890 174.877 -1.987 1 1 966 . 16 1 1 A 84 84 THR CA C 90 62.641 59.745 2.896 1 1 967 . 16 1 1 A 84 84 THR CB C 90 68.634 70.294 -1.660 1 1 969 . 16 1 1 A 84 84 THR N N 90 123.099 117.529 5.570 1 1 970 . 16 1 1 A 85 85 LEU H H 91 8.967 8.835 0.132 1 1 971 . 16 1 1 A 85 85 LEU HA H 91 4.256 4.691 -0.435 1 1 980 . 16 1 1 A 85 85 LEU C C 91 177.371 176.261 1.110 1 1 981 . 16 1 1 A 85 85 LEU CA C 91 55.527 55.024 0.503 1 1 982 . 16 1 1 A 85 85 LEU CB C 91 44.315 44.128 0.187 1 1 984 . 16 1 1 A 85 85 LEU N N 91 125.333 122.314 3.019 1 1 985 . 16 1 1 A 86 86 GLU H H 92 7.503 7.781 -0.278 1 1 986 . 16 1 1 A 86 86 GLU HA H 92 5.026 4.827 0.199 1 1 991 . 16 1 1 A 86 86 GLU C C 92 172.723 175.141 -2.418 1 1 992 . 16 1 1 A 86 86 GLU CA C 92 54.670 55.351 -0.681 1 1 993 . 16 1 1 A 86 86 GLU CB C 92 33.717 32.964 0.753 1 1 995 . 16 1 1 A 86 86 GLU N N 92 116.655 117.581 -0.926 1 1 996 . 16 1 1 A 87 87 SER H H 93 8.954 8.730 0.224 1 1 997 . 16 1 1 A 87 87 SER HA H 93 4.245 5.888 -1.643 1 1 1000 . 16 1 1 A 87 87 SER C C 93 172.763 173.493 -0.730 1 1 1001 . 16 1 1 A 87 87 SER CA C 93 57.328 57.589 -0.261 1 1 1002 . 16 1 1 A 87 87 SER CB C 93 65.493 66.888 -1.395 1 1 1003 . 16 1 1 A 87 87 SER N N 93 117.941 118.986 -1.045 1 1 1004 . 16 1 1 A 88 88 GLY H H 94 6.932 8.482 -1.550 1 1 1005 . 16 1 1 A 88 88 GLY HA2 H 94 3.694 4.248 -0.554 1 1 1006 . 16 1 1 A 88 88 GLY HA3 H 94 3.694 4.250 -0.556 1 1 1007 . 16 1 1 A 88 88 GLY C C 94 171.117 171.695 -0.578 1 1 1008 . 16 1 1 A 88 88 GLY CA C 94 46.575 45.979 0.596 1 1 1009 . 16 1 1 A 88 88 GLY N N 94 108.625 109.997 -1.372 1 1 1010 . 16 1 1 A 89 89 GLU H H 95 9.669 8.861 0.808 1 1 1011 . 16 1 1 A 89 89 GLU HA H 95 5.642 4.860 0.782 1 1 1016 . 16 1 1 A 89 89 GLU C C 95 173.226 175.216 -1.990 1 1 1017 . 16 1 1 A 89 89 GLU CA C 95 54.786 56.121 -1.335 1 1 1018 . 16 1 1 A 89 89 GLU CB C 95 34.334 30.097 4.237 1 1 1020 . 16 1 1 A 89 89 GLU N N 95 128.231 121.719 6.512 1 1 1021 . 16 1 1 A 90 90 PHE H H 96 10.365 8.666 1.699 1 1 1022 . 16 1 1 A 90 90 PHE HA H 96 5.048 4.292 0.756 1 1 1029 . 16 1 1 A 90 90 PHE C C 96 173.039 173.944 -0.905 1 1 1030 . 16 1 1 A 90 90 PHE CA C 96 54.616 57.031 -2.415 1 1 1031 . 16 1 1 A 90 90 PHE CB C 96 42.090 39.025 3.065 1 1 1032 . 16 1 1 A 90 90 PHE N N 96 131.583 126.872 4.711 1 1 1033 . 16 1 1 A 91 91 GLN H H 97 8.685 8.690 -0.005 1 1 1034 . 16 1 1 A 91 91 GLN HA H 97 4.959 4.816 0.143 1 1 1041 . 16 1 1 A 91 91 GLN C C 97 174.151 174.726 -0.575 1 1 1042 . 16 1 1 A 91 91 GLN CA C 97 53.174 54.576 -1.402 1 1 1043 . 16 1 1 A 91 91 GLN CB C 97 28.812 29.878 -1.066 1 1 1045 . 16 1 1 A 91 91 GLN N N 97 126.465 127.808 -1.343 1 1 1047 . 16 1 1 A 92 92 VAL H H 98 8.675 9.119 -0.444 1 1 1048 . 16 1 1 A 92 92 VAL HA H 98 4.569 4.530 0.039 1 1 1056 . 16 1 1 A 92 92 VAL C C 98 173.802 174.490 -0.688 1 1 1057 . 16 1 1 A 92 92 VAL CA C 98 59.715 61.349 -1.634 1 1 1058 . 16 1 1 A 92 92 VAL CB C 98 35.074 33.124 1.950 1 1 1061 . 16 1 1 A 92 92 VAL N N 98 118.841 126.911 -8.070 1 1 1062 . 16 1 1 A 93 93 TYR H H 99 8.896 9.066 -0.170 1 1 1063 . 16 1 1 A 93 93 TYR HA H 99 4.940 4.711 0.229 1 1 1070 . 16 1 1 A 93 93 TYR C C 99 173.330 174.936 -1.606 1 1 1071 . 16 1 1 A 93 93 TYR CA C 99 56.948 58.345 -1.397 1 1 1072 . 16 1 1 A 93 93 TYR CB C 99 40.780 39.588 1.192 1 1 1073 . 16 1 1 A 93 93 TYR N N 99 127.563 128.348 -0.785 1 1 1074 . 16 1 1 A 94 94 LYS H H 100 5.813 8.963 -3.150 1 1 1075 . 16 1 1 A 94 94 LYS HA H 100 4.248 5.135 -0.887 1 1 1082 . 16 1 1 A 94 94 LYS CA C 100 55.660 55.063 0.597 1 1 1083 . 16 1 1 A 94 94 LYS CB C 100 35.870 34.633 1.237 1 1 1084 . 16 1 1 A 94 94 LYS N N 100 128.378 124.901 3.477 1 1 1085 . 16 1 1 A 95 95 GLN H H 101 8.438 8.635 -0.197 1 1 1086 . 16 1 1 A 95 95 GLN HA H 101 5.028 4.793 0.235 1 1 1091 . 16 1 1 A 95 95 GLN C C 101 174.080 175.967 -1.887 1 1 1092 . 16 1 1 A 95 95 GLN CA C 101 54.043 54.460 -0.417 1 1 1093 . 16 1 1 A 95 95 GLN CB C 101 27.209 29.952 -2.743 1 1 1095 . 16 1 1 A 95 95 GLN N N 101 125.809 122.853 2.956 1 1 1096 . 16 1 1 A 96 96 SER H H 102 9.057 8.214 0.843 1 1 1097 . 16 1 1 A 96 96 SER HA H 102 3.041 3.893 -0.852 1 1 1100 . 16 1 1 A 96 96 SER CA C 102 62.985 62.315 0.670 1 1 1101 . 16 1 1 A 96 96 SER CB C 102 63.242 63.256 -0.014 1 1 1102 . 16 1 1 A 96 96 SER N N 102 117.650 113.695 3.955 1 1 1103 . 16 1 1 A 97 97 HIS H H 103 10.115 7.941 2.174 1 1 1104 . 16 1 1 A 97 97 HIS HA H 103 4.406 4.697 -0.291 1 1 1109 . 16 1 1 A 97 97 HIS CA C 103 53.809 55.786 -1.977 1 1 1110 . 16 1 1 A 97 97 HIS CB C 103 30.329 30.586 -0.257 1 1 1111 . 16 1 1 A 97 97 HIS N N 103 118.385 114.029 4.356 1 1 1112 . 16 1 1 A 98 98 SER H H 104 7.241 7.350 -0.109 1 1 1113 . 16 1 1 A 98 98 SER HA H 104 4.406 4.902 -0.496 1 1 1116 . 16 1 1 A 98 98 SER CA C 104 56.712 57.292 -0.580 1 1 1117 . 16 1 1 A 98 98 SER CB C 104 65.461 66.895 -1.434 1 1 1118 . 16 1 1 A 98 98 SER N N 104 112.298 114.146 -1.848 1 1 1119 . 16 1 1 A 99 99 ALA H H 105 8.418 8.706 -0.288 1 1 1120 . 16 1 1 A 99 99 ALA HA H 105 4.753 5.106 -0.353 1 1 1124 . 16 1 1 A 99 99 ALA C C 105 173.181 176.056 -2.875 1 1 1125 . 16 1 1 A 99 99 ALA CA C 105 51.363 51.621 -0.258 1 1 1126 . 16 1 1 A 99 99 ALA CB C 105 22.271 23.601 -1.330 1 1 1127 . 16 1 1 A 99 99 ALA N N 105 116.790 123.050 -6.260 1 1 1128 . 16 1 1 A 100 100 LEU H H 106 8.376 8.370 0.006 1 1 1129 . 16 1 1 A 100 100 LEU HA H 106 5.549 5.345 0.204 1 1 1139 . 16 1 1 A 100 100 LEU C C 106 175.338 174.901 0.437 1 1 1140 . 16 1 1 A 100 100 LEU CA C 106 53.753 53.330 0.423 1 1 1141 . 16 1 1 A 100 100 LEU CB C 106 46.393 46.436 -0.043 1 1 1145 . 16 1 1 A 100 100 LEU N N 106 115.214 117.070 -1.856 1 1 1146 . 16 1 1 A 101 101 THR H H 107 8.685 8.759 -0.074 1 1 1147 . 16 1 1 A 101 101 THR HA H 107 5.287 5.152 0.135 1 1 1152 . 16 1 1 A 101 101 THR C C 107 172.493 172.793 -0.300 1 1 1153 . 16 1 1 A 101 101 THR CA C 107 57.069 59.715 -2.646 1 1 1154 . 16 1 1 A 101 101 THR CB C 107 71.308 71.680 -0.372 1 1 1156 . 16 1 1 A 101 101 THR N N 107 109.441 116.516 -7.075 1 1 1157 . 16 1 1 A 102 102 ALA H H 108 8.459 8.190 0.269 1 1 1158 . 16 1 1 A 102 102 ALA HA H 108 4.366 5.296 -0.930 1 1 1162 . 16 1 1 A 102 102 ALA C C 108 173.439 176.095 -2.656 1 1 1163 . 16 1 1 A 102 102 ALA CA C 108 51.015 50.980 0.035 1 1 1164 . 16 1 1 A 102 102 ALA CB C 108 23.424 23.746 -0.322 1 1 1165 . 16 1 1 A 102 102 ALA N N 108 120.716 126.436 -5.720 1 1 1166 . 16 1 1 A 103 103 PHE H H 109 8.510 9.098 -0.588 1 1 1167 . 16 1 1 A 103 103 PHE HA H 109 4.715 5.128 -0.413 1 1 1175 . 16 1 1 A 103 103 PHE C C 109 174.173 175.241 -1.068 1 1 1176 . 16 1 1 A 103 103 PHE CA C 109 56.640 56.342 0.298 1 1 1177 . 16 1 1 A 103 103 PHE CB C 109 41.926 41.562 0.364 1 1 1178 . 16 1 1 A 103 103 PHE N N 109 115.041 118.916 -3.875 1 1 1179 . 16 1 1 A 104 104 GLN H H 110 9.832 8.929 0.903 1 1 1180 . 16 1 1 A 104 104 GLN HA H 110 5.226 5.049 0.177 1 1 1187 . 16 1 1 A 104 104 GLN C C 110 175.186 174.565 0.621 1 1 1188 . 16 1 1 A 104 104 GLN CA C 110 53.213 54.980 -1.767 1 1 1189 . 16 1 1 A 104 104 GLN CB C 110 29.161 30.017 -0.856 1 1 1191 . 16 1 1 A 104 104 GLN N N 110 124.526 121.080 3.446 1 1 1193 . 16 1 1 A 105 105 THR H H 111 9.566 8.909 0.657 1 1 1194 . 16 1 1 A 105 105 THR HA H 111 4.186 4.752 -0.566 1 1 1199 . 16 1 1 A 105 105 THR C C 111 174.538 174.184 0.354 1 1 1200 . 16 1 1 A 105 105 THR CA C 111 66.408 60.817 5.591 1 1 1201 . 16 1 1 A 105 105 THR CB C 111 69.385 70.416 -1.031 1 1 1203 . 16 1 1 A 105 105 THR N N 111 126.760 118.899 7.861 1 1 1204 . 16 1 1 A 106 106 GLU H H 112 9.303 8.856 0.447 1 1 1205 . 16 1 1 A 106 106 GLU HA H 112 4.811 4.682 0.129 1 1 1210 . 16 1 1 A 106 106 GLU C C 112 177.397 176.561 0.836 1 1 1211 . 16 1 1 A 106 106 GLU CA C 112 56.227 57.456 -1.229 1 1 1212 . 16 1 1 A 106 106 GLU CB C 112 31.283 32.082 -0.799 1 1 1214 . 16 1 1 A 106 106 GLU N N 112 121.685 124.619 -2.934 1 1 1215 . 16 1 1 A 107 107 GLN H H 113 7.954 7.838 0.116 1 1 1216 . 16 1 1 A 107 107 GLN HA H 113 5.233 4.939 0.294 1 1 1221 . 16 1 1 A 107 107 GLN C C 113 173.999 173.677 0.322 1 1 1222 . 16 1 1 A 107 107 GLN CA C 113 53.837 54.955 -1.118 1 1 1223 . 16 1 1 A 107 107 GLN CB C 113 32.543 32.114 0.429 1 1 1225 . 16 1 1 A 107 107 GLN N N 113 117.612 114.300 3.312 1 1 1226 . 16 1 1 A 108 108 ILE H H 114 8.969 8.788 0.181 1 1 1227 . 16 1 1 A 108 108 ILE HA H 114 4.907 4.888 0.019 1 1 1237 . 16 1 1 A 108 108 ILE C C 114 174.089 174.576 -0.487 1 1 1238 . 16 1 1 A 108 108 ILE CA C 114 58.954 58.651 0.303 1 1 1239 . 16 1 1 A 108 108 ILE CB C 114 42.799 42.094 0.705 1 1 1243 . 16 1 1 A 108 108 ILE N N 114 115.049 119.359 -4.310 1 1 1244 . 16 1 1 A 109 109 GLN H H 115 7.421 8.425 -1.004 1 1 1245 . 16 1 1 A 109 109 GLN HA H 115 4.405 4.455 -0.050 1 1 1252 . 16 1 1 A 109 109 GLN C C 115 175.654 174.488 1.166 1 1 1253 . 16 1 1 A 109 109 GLN CA C 115 56.086 54.999 1.087 1 1 1254 . 16 1 1 A 109 109 GLN CB C 115 28.483 30.988 -2.505 1 1 1256 . 16 1 1 A 109 109 GLN N N 115 121.959 121.665 0.294 1 1 1258 . 16 1 1 A 110 110 ASP H H 116 8.569 8.689 -0.120 1 1 1259 . 16 1 1 A 110 110 ASP HA H 116 4.377 5.458 -1.081 1 1 1262 . 16 1 1 A 110 110 ASP C C 116 176.662 174.616 2.046 1 1 1263 . 16 1 1 A 110 110 ASP CA C 116 53.511 52.779 0.732 1 1 1264 . 16 1 1 A 110 110 ASP CB C 116 41.187 44.980 -3.793 1 1 1265 . 16 1 1 A 110 110 ASP N N 116 125.621 120.974 4.647 1 1 1266 . 16 1 1 A 111 111 SER H H 117 8.445 8.773 -0.328 1 1 1267 . 16 1 1 A 111 111 SER HA H 117 4.024 4.820 -0.796 1 1 1270 . 16 1 1 A 111 111 SER C C 117 174.783 174.119 0.664 1 1 1271 . 16 1 1 A 111 111 SER CA C 117 60.782 56.776 4.006 1 1 1272 . 16 1 1 A 111 111 SER CB C 117 62.560 63.617 -1.057 1 1 1273 . 16 1 1 A 111 111 SER N N 117 120.732 117.084 3.648 1 1 1274 . 16 1 1 A 112 112 GLU H H 118 8.246 8.105 0.141 1 1 1275 . 16 1 1 A 112 112 GLU HA H 118 4.044 4.540 -0.496 1 1 1280 . 16 1 1 A 112 112 GLU C C 118 175.899 177.335 -1.436 1 1 1281 . 16 1 1 A 112 112 GLU CA C 118 56.016 57.218 -1.202 1 1 1282 . 16 1 1 A 112 112 GLU CB C 118 29.853 30.892 -1.039 1 1 1284 . 16 1 1 A 112 112 GLU N N 118 119.367 122.144 -2.777 1 1 1285 . 16 1 1 A 113 113 HIS H H 119 7.418 8.091 -0.673 1 1 1286 . 16 1 1 A 113 113 HIS HA H 119 4.607 4.574 0.033 1 1 1291 . 16 1 1 A 113 113 HIS C C 119 173.527 174.512 -0.985 1 1 1292 . 16 1 1 A 113 113 HIS CA C 119 54.515 58.022 -3.507 1 1 1293 . 16 1 1 A 113 113 HIS CB C 119 28.667 30.198 -1.531 1 1 1294 . 16 1 1 A 113 113 HIS N N 119 117.287 119.924 -2.637 1 1 1295 . 16 1 1 A 114 114 SER H H 120 8.398 8.209 0.189 1 1 1296 . 16 1 1 A 114 114 SER HA H 120 4.183 4.115 0.068 1 1 1299 . 16 1 1 A 114 114 SER C C 120 175.690 174.544 1.146 1 1 1300 . 16 1 1 A 114 114 SER CA C 120 59.149 60.057 -0.908 1 1 1301 . 16 1 1 A 114 114 SER CB C 120 62.820 61.746 1.074 1 1 1302 . 16 1 1 A 114 114 SER N N 120 116.771 112.596 4.175 1 1 1303 . 16 1 1 A 115 115 GLY H H 121 8.733 7.973 0.760 1 1 1304 . 16 1 1 A 115 115 GLY HA2 H 121 4.052 4.174 -0.122 1 1 1305 . 16 1 1 A 115 115 GLY HA3 H 121 3.724 4.184 -0.460 1 1 1306 . 16 1 1 A 115 115 GLY C C 121 173.540 173.842 -0.302 1 1 1307 . 16 1 1 A 115 115 GLY CA C 121 44.692 45.769 -1.077 1 1 1308 . 16 1 1 A 115 115 GLY N N 121 112.197 106.867 5.330 1 1 1309 . 16 1 1 A 116 116 LYS H H 122 7.796 7.971 -0.175 1 1 1310 . 16 1 1 A 116 116 LYS HA H 122 4.465 4.432 0.033 1 1 1317 . 16 1 1 A 116 116 LYS C C 122 175.090 175.678 -0.588 1 1 1318 . 16 1 1 A 116 116 LYS CA C 122 55.122 56.140 -1.018 1 1 1319 . 16 1 1 A 116 116 LYS CB C 122 33.861 33.801 0.060 1 1 1322 . 16 1 1 A 116 116 LYS N N 122 120.212 119.167 1.045 1 1 1323 . 16 1 1 A 117 117 MET H H 123 8.348 8.609 -0.261 1 1 1324 . 16 1 1 A 117 117 MET HA H 123 5.082 4.978 0.104 1 1 1332 . 16 1 1 A 117 117 MET C C 123 176.210 174.019 2.191 1 1 1333 . 16 1 1 A 117 117 MET CA C 123 52.928 54.541 -1.613 1 1 1334 . 16 1 1 A 117 117 MET CB C 123 33.841 35.657 -1.816 1 1 1337 . 16 1 1 A 117 117 MET N N 123 119.755 119.170 0.585 1 1 1338 . 16 1 1 A 118 118 VAL H H 124 9.242 8.967 0.275 1 1 1339 . 16 1 1 A 118 118 VAL HA H 124 4.469 4.649 -0.180 1 1 1347 . 16 1 1 A 118 118 VAL C C 124 173.967 173.692 0.275 1 1 1348 . 16 1 1 A 118 118 VAL CA C 124 59.056 60.473 -1.417 1 1 1349 . 16 1 1 A 118 118 VAL CB C 124 34.376 35.472 -1.096 1 1 1351 . 16 1 1 A 118 118 VAL N N 124 118.546 122.981 -4.435 1 1 1352 . 16 1 1 A 119 119 ALA H H 125 8.327 8.524 -0.197 1 1 1353 . 16 1 1 A 119 119 ALA HA H 125 4.624 4.432 0.192 1 1 1357 . 16 1 1 A 119 119 ALA C C 125 177.165 176.313 0.852 1 1 1358 . 16 1 1 A 119 119 ALA CA C 125 52.043 51.570 0.473 1 1 1359 . 16 1 1 A 119 119 ALA CB C 125 18.232 17.551 0.681 1 1 1360 . 16 1 1 A 119 119 ALA N N 125 125.947 129.599 -3.652 1 1 1361 . 16 1 1 A 120 120 LYS H H 126 7.604 7.491 0.113 1 1 1362 . 16 1 1 A 120 120 LYS HA H 126 4.046 4.652 -0.606 1 1 1371 . 16 1 1 A 120 120 LYS C C 126 172.631 175.660 -3.029 1 1 1372 . 16 1 1 A 120 120 LYS CA C 126 56.023 55.563 0.460 1 1 1373 . 16 1 1 A 120 120 LYS CB C 126 34.482 32.053 2.429 1 1 1377 . 16 1 1 A 120 120 LYS N N 126 126.149 120.684 5.465 1 1 1378 . 16 1 1 A 121 121 ARG H H 127 8.308 8.636 -0.328 1 1 1379 . 16 1 1 A 121 121 ARG HA H 127 4.901 4.745 0.156 1 1 1384 . 16 1 1 A 121 121 ARG C C 127 176.253 175.188 1.065 1 1 1385 . 16 1 1 A 121 121 ARG CA C 127 55.564 55.457 0.107 1 1 1386 . 16 1 1 A 121 121 ARG CB C 127 28.273 28.774 -0.501 1 1 1388 . 16 1 1 A 121 121 ARG N N 127 122.760 125.269 -2.509 1 1 1389 . 16 1 1 A 122 122 GLN H H 128 7.529 8.900 -1.371 1 1 1390 . 16 1 1 A 122 122 GLN HA H 128 4.541 4.687 -0.146 1 1 1397 . 16 1 1 A 122 122 GLN C C 128 172.163 175.456 -3.293 1 1 1398 . 16 1 1 A 122 122 GLN CA C 128 54.218 55.203 -0.985 1 1 1399 . 16 1 1 A 122 122 GLN CB C 128 32.064 29.188 2.876 1 1 1401 . 16 1 1 A 122 122 GLN N N 128 121.022 124.196 -3.174 1 1 1403 . 16 1 1 A 123 123 PHE H H 129 8.620 8.938 -0.318 1 1 1404 . 16 1 1 A 123 123 PHE HA H 129 6.040 5.982 0.058 1 1 1411 . 16 1 1 A 123 123 PHE C C 129 174.530 173.963 0.567 1 1 1412 . 16 1 1 A 123 123 PHE CA C 129 56.026 55.002 1.024 1 1 1413 . 16 1 1 A 123 123 PHE CB C 129 42.143 42.465 -0.322 1 1 1414 . 16 1 1 A 123 123 PHE N N 129 125.540 123.653 1.887 1 1 1415 . 16 1 1 A 124 124 ARG H H 130 8.018 8.461 -0.443 1 1 1416 . 16 1 1 A 124 124 ARG HA H 130 4.366 4.261 0.105 1 1 1423 . 16 1 1 A 124 124 ARG C C 130 172.139 174.299 -2.160 1 1 1424 . 16 1 1 A 124 124 ARG CA C 130 53.422 54.412 -0.990 1 1 1425 . 16 1 1 A 124 124 ARG CB C 130 32.310 34.477 -2.167 1 1 1428 . 16 1 1 A 124 124 ARG N N 130 125.264 119.632 5.632 1 1 1429 . 16 1 1 A 125 125 ILE H H 131 8.462 8.144 0.318 1 1 1430 . 16 1 1 A 125 125 ILE HA H 131 3.883 4.365 -0.482 1 1 1440 . 16 1 1 A 125 125 ILE C C 131 175.487 175.036 0.451 1 1 1441 . 16 1 1 A 125 125 ILE CA C 131 58.339 61.856 -3.517 1 1 1442 . 16 1 1 A 125 125 ILE CB C 131 35.673 38.793 -3.120 1 1 1446 . 16 1 1 A 125 125 ILE N N 131 121.887 124.250 -2.363 1 1 1447 . 16 1 1 A 126 126 GLY H H 132 8.814 8.077 0.737 1 1 1448 . 16 1 1 A 126 126 GLY HA2 H 132 4.062 4.343 -0.281 1 1 1449 . 16 1 1 A 126 126 GLY HA3 H 132 4.062 4.368 -0.306 1 1 1450 . 16 1 1 A 126 126 GLY C C 132 171.583 173.026 -1.443 1 1 1451 . 16 1 1 A 126 126 GLY CA C 132 44.157 44.591 -0.434 1 1 1452 . 16 1 1 A 126 126 GLY N N 132 115.675 114.270 1.405 1 1 1453 . 16 1 1 A 127 127 ASP H H 133 7.914 8.644 -0.730 1 1 1454 . 16 1 1 A 127 127 ASP HA H 133 4.584 4.843 -0.259 1 1 1457 . 16 1 1 A 127 127 ASP C C 133 174.132 175.919 -1.787 1 1 1458 . 16 1 1 A 127 127 ASP CA C 133 54.822 54.689 0.133 1 1 1459 . 16 1 1 A 127 127 ASP CB C 133 45.407 41.916 3.491 1 1 1460 . 16 1 1 A 127 127 ASP N N 133 123.737 120.801 2.936 1 1 1461 . 16 1 1 A 128 128 ILE H H 134 8.258 8.926 -0.668 1 1 1462 . 16 1 1 A 128 128 ILE HA H 134 4.392 4.754 -0.362 1 1 1472 . 16 1 1 A 128 128 ILE C C 134 174.799 175.305 -0.506 1 1 1473 . 16 1 1 A 128 128 ILE CA C 134 61.596 60.385 1.211 1 1 1474 . 16 1 1 A 128 128 ILE CB C 134 37.549 38.577 -1.028 1 1 1478 . 16 1 1 A 128 128 ILE N N 134 119.105 123.837 -4.732 1 1 1479 . 16 1 1 A 129 129 ALA H H 135 8.607 8.971 -0.364 1 1 1480 . 16 1 1 A 129 129 ALA HA H 135 4.757 5.423 -0.666 1 1 1484 . 16 1 1 A 129 129 ALA C C 135 173.358 176.084 -2.726 1 1 1485 . 16 1 1 A 129 129 ALA CA C 135 50.608 50.495 0.113 1 1 1486 . 16 1 1 A 129 129 ALA CB C 135 23.348 22.568 0.780 1 1 1487 . 16 1 1 A 129 129 ALA N N 135 129.336 131.028 -1.692 1 1 1488 . 16 1 1 A 130 130 GLY H H 136 7.514 8.172 -0.658 1 1 1489 . 16 1 1 A 130 130 GLY HA2 H 136 3.551 2.785 0.766 1 1 1490 . 16 1 1 A 130 130 GLY HA3 H 136 4.422 3.782 0.640 1 1 1491 . 16 1 1 A 130 130 GLY C C 136 172.609 171.251 1.358 1 1 1492 . 16 1 1 A 130 130 GLY CA C 136 44.315 44.908 -0.593 1 1 1493 . 16 1 1 A 130 130 GLY N N 136 101.232 106.798 -5.566 1 1 1494 . 16 1 1 A 131 131 GLU H H 137 8.225 7.955 0.270 1 1 1495 . 16 1 1 A 131 131 GLU HA H 137 4.540 4.946 -0.406 1 1 1500 . 16 1 1 A 131 131 GLU C C 137 174.864 175.248 -0.384 1 1 1501 . 16 1 1 A 131 131 GLU CA C 137 53.120 54.558 -1.438 1 1 1502 . 16 1 1 A 131 131 GLU CB C 137 28.254 33.642 -5.388 1 1 1504 . 16 1 1 A 131 131 GLU N N 137 121.002 119.517 1.485 1 1 1505 . 16 1 1 A 132 132 HIS H H 138 8.054 8.549 -0.495 1 1 1506 . 16 1 1 A 132 132 HIS HA H 138 4.771 5.868 -1.097 1 1 1511 . 16 1 1 A 132 132 HIS C C 138 175.411 173.158 2.253 1 1 1512 . 16 1 1 A 132 132 HIS CA C 138 57.942 53.741 4.201 1 1 1513 . 16 1 1 A 132 132 HIS CB C 138 27.710 33.090 -5.380 1 1 1514 . 16 1 1 A 132 132 HIS N N 138 124.204 118.291 5.913 1 1 1515 . 16 1 1 A 133 133 THR H H 139 9.056 8.888 0.168 1 1 1516 . 16 1 1 A 133 133 THR HA H 139 3.864 4.897 -1.033 1 1 1521 . 16 1 1 A 133 133 THR C C 139 174.178 174.907 -0.729 1 1 1522 . 16 1 1 A 133 133 THR CA C 139 63.225 60.275 2.950 1 1 1523 . 16 1 1 A 133 133 THR CB C 139 68.127 70.877 -2.750 1 1 1525 . 16 1 1 A 133 133 THR N N 139 125.345 113.488 11.857 1 1 1526 . 16 1 1 A 134 134 SER H H 140 8.834 8.733 0.101 1 1 1527 . 16 1 1 A 134 134 SER HA H 140 4.560 4.674 -0.114 1 1 1530 . 16 1 1 A 134 134 SER C C 140 176.713 175.873 0.840 1 1 1531 . 16 1 1 A 134 134 SER CA C 140 57.961 58.845 -0.884 1 1 1532 . 16 1 1 A 134 134 SER CB C 140 63.030 64.094 -1.064 1 1 1533 . 16 1 1 A 134 134 SER N N 140 121.791 118.751 3.040 1 1 1534 . 16 1 1 A 135 135 PHE H H 141 9.597 8.955 0.642 1 1 1535 . 16 1 1 A 135 135 PHE HA H 141 3.953 4.313 -0.360 1 1 1542 . 16 1 1 A 135 135 PHE C C 141 175.375 176.277 -0.902 1 1 1543 . 16 1 1 A 135 135 PHE CA C 141 61.339 60.586 0.753 1 1 1544 . 16 1 1 A 135 135 PHE CB C 141 39.394 38.301 1.093 1 1 1545 . 16 1 1 A 135 135 PHE N N 141 128.822 122.995 5.827 1 1 1546 . 16 1 1 A 136 136 ASP H H 142 8.017 7.006 1.011 1 1 1547 . 16 1 1 A 136 136 ASP HA H 142 4.352 4.498 -0.146 1 1 1550 . 16 1 1 A 136 136 ASP C C 142 175.358 176.810 -1.452 1 1 1551 . 16 1 1 A 136 136 ASP CA C 142 55.223 53.841 1.382 1 1 1552 . 16 1 1 A 136 136 ASP CB C 142 40.968 40.488 0.480 1 1 1553 . 16 1 1 A 136 136 ASP N N 142 113.108 120.231 -7.123 1 1 1554 . 16 1 1 A 137 137 LYS H H 143 7.340 8.001 -0.661 1 1 1555 . 16 1 1 A 137 137 LYS HA H 143 4.439 4.388 0.051 1 1 1564 . 16 1 1 A 137 137 LYS C C 143 175.571 176.193 -0.622 1 1 1565 . 16 1 1 A 137 137 LYS CA C 143 54.096 57.180 -3.084 1 1 1566 . 16 1 1 A 137 137 LYS CB C 143 32.545 35.357 -2.812 1 1 1570 . 16 1 1 A 137 137 LYS N N 143 117.716 119.615 -1.899 1 1 1571 . 16 1 1 A 138 138 LEU H H 144 6.698 7.536 -0.838 1 1 1572 . 16 1 1 A 138 138 LEU HA H 144 3.903 4.442 -0.539 1 1 1582 . 16 1 1 A 138 138 LEU C C 144 174.123 175.648 -1.525 1 1 1583 . 16 1 1 A 138 138 LEU CA C 144 52.843 53.685 -0.842 1 1 1584 . 16 1 1 A 138 138 LEU CB C 144 40.993 41.018 -0.025 1 1 1588 . 16 1 1 A 138 138 LEU N N 144 120.536 120.058 0.478 1 1 1589 . 16 1 1 A 139 139 PRO HA H 145 4.040 4.775 -0.735 1 1 1596 . 16 1 1 A 139 139 PRO C C 145 172.700 176.193 -3.493 1 1 1597 . 16 1 1 A 139 139 PRO CA C 145 62.654 62.337 0.317 1 1 1598 . 16 1 1 A 139 139 PRO CB C 145 30.086 32.642 -2.556 1 1 1601 . 16 1 1 A 140 140 GLU H H 146 8.343 8.743 -0.400 1 1 1602 . 16 1 1 A 140 140 GLU HA H 146 3.970 4.905 -0.935 1 1 1607 . 16 1 1 A 140 140 GLU C C 146 176.009 175.658 0.351 1 1 1608 . 16 1 1 A 140 140 GLU CA C 146 56.119 56.054 0.065 1 1 1609 . 16 1 1 A 140 140 GLU CB C 146 30.086 30.354 -0.268 1 1 1611 . 16 1 1 A 140 140 GLU N N 146 119.063 119.523 -0.460 1 1 1612 . 16 1 1 A 141 141 GLY H H 147 7.241 8.179 -0.938 1 1 1613 . 16 1 1 A 141 141 GLY HA2 H 147 3.918 4.361 -0.443 1 1 1614 . 16 1 1 A 141 141 GLY HA3 H 147 3.814 4.406 -0.592 1 1 1615 . 16 1 1 A 141 141 GLY C C 147 171.657 173.570 -1.913 1 1 1616 . 16 1 1 A 141 141 GLY CA C 147 43.929 44.918 -0.989 1 1 1617 . 16 1 1 A 141 141 GLY N N 147 104.270 109.563 -5.293 1 1 1618 . 16 1 1 A 142 142 GLY H H 148 8.241 8.444 -0.203 1 1 1619 . 16 1 1 A 142 142 GLY HA2 H 148 3.710 4.029 -0.319 1 1 1620 . 16 1 1 A 142 142 GLY HA3 H 148 4.350 4.056 0.294 1 1 1621 . 16 1 1 A 142 142 GLY C C 148 171.767 173.129 -1.362 1 1 1622 . 16 1 1 A 142 142 GLY CA C 148 43.649 45.155 -1.506 1 1 1623 . 16 1 1 A 142 142 GLY N N 148 106.996 109.934 -2.938 1 1 1624 . 16 1 1 A 143 143 ARG H H 149 8.214 8.249 -0.035 1 1 1625 . 16 1 1 A 143 143 ARG HA H 149 5.376 5.687 -0.311 1 1 1632 . 16 1 1 A 143 143 ARG C C 149 174.981 174.134 0.847 1 1 1633 . 16 1 1 A 143 143 ARG CA C 149 54.235 54.035 0.200 1 1 1634 . 16 1 1 A 143 143 ARG CB C 149 32.988 34.459 -1.471 1 1 1637 . 16 1 1 A 143 143 ARG N N 149 117.762 117.299 0.463 1 1 1638 . 16 1 1 A 144 144 ALA H H 150 9.030 8.650 0.380 1 1 1639 . 16 1 1 A 144 144 ALA HA H 150 4.730 5.120 -0.390 1 1 1643 . 16 1 1 A 144 144 ALA C C 150 175.012 175.295 -0.283 1 1 1644 . 16 1 1 A 144 144 ALA CA C 150 50.732 50.579 0.153 1 1 1645 . 16 1 1 A 144 144 ALA CB C 150 23.448 21.976 1.472 1 1 1646 . 16 1 1 A 144 144 ALA N N 150 126.630 121.975 4.655 1 1 1647 . 16 1 1 A 145 145 THR H H 151 8.560 8.445 0.115 1 1 1648 . 16 1 1 A 145 145 THR HA H 151 4.846 4.619 0.227 1 1 1653 . 16 1 1 A 145 145 THR C C 151 171.870 173.304 -1.434 1 1 1654 . 16 1 1 A 145 145 THR CA C 151 61.997 62.513 -0.516 1 1 1655 . 16 1 1 A 145 145 THR CB C 151 69.746 69.863 -0.117 1 1 1657 . 16 1 1 A 145 145 THR N N 151 117.942 118.653 -0.711 1 1 1658 . 16 1 1 A 146 146 TYR H H 152 10.008 8.771 1.237 1 1 1659 . 16 1 1 A 146 146 TYR HA H 152 4.580 5.215 -0.635 1 1 1666 . 16 1 1 A 146 146 TYR C C 152 174.627 174.423 0.204 1 1 1667 . 16 1 1 A 146 146 TYR CA C 152 55.835 56.354 -0.519 1 1 1668 . 16 1 1 A 146 146 TYR CB C 152 40.094 43.489 -3.395 1 1 1669 . 16 1 1 A 146 146 TYR N N 152 126.097 125.039 1.058 1 1 1670 . 16 1 1 A 147 147 ARG H H 153 8.860 8.711 0.149 1 1 1671 . 16 1 1 A 147 147 ARG HA H 153 5.404 5.424 -0.020 1 1 1678 . 16 1 1 A 147 147 ARG C C 153 177.446 175.384 2.062 1 1 1679 . 16 1 1 A 147 147 ARG CA C 153 54.024 54.705 -0.681 1 1 1680 . 16 1 1 A 147 147 ARG CB C 153 33.539 34.127 -0.588 1 1 1683 . 16 1 1 A 147 147 ARG N N 153 121.042 122.840 -1.798 1 1 1684 . 16 1 1 A 148 148 GLY H H 154 8.916 8.848 0.068 1 1 1685 . 16 1 1 A 148 148 GLY HA2 H 154 4.816 4.435 0.381 1 1 1686 . 16 1 1 A 148 148 GLY HA3 H 154 4.422 4.452 -0.030 1 1 1687 . 16 1 1 A 148 148 GLY C C 154 173.831 171.877 1.954 1 1 1688 . 16 1 1 A 148 148 GLY CA C 154 46.752 45.345 1.407 1 1 1689 . 16 1 1 A 148 148 GLY N N 154 114.154 112.177 1.977 1 1 1690 . 16 1 1 A 149 149 THR H H 155 9.063 8.864 0.199 1 1 1691 . 16 1 1 A 149 149 THR HA H 155 4.711 5.269 -0.558 1 1 1696 . 16 1 1 A 149 149 THR C C 155 170.370 173.592 -3.222 1 1 1697 . 16 1 1 A 149 149 THR CA C 155 62.316 61.429 0.887 1 1 1698 . 16 1 1 A 149 149 THR CB C 155 72.596 71.313 1.283 1 1 1700 . 16 1 1 A 149 149 THR N N 155 126.410 115.552 10.858 1 1 1701 . 16 1 1 A 150 150 ALA H H 156 7.091 9.039 -1.948 1 1 1702 . 16 1 1 A 150 150 ALA HA H 156 5.289 5.487 -0.198 1 1 1706 . 16 1 1 A 150 150 ALA C C 156 173.965 176.691 -2.726 1 1 1707 . 16 1 1 A 150 150 ALA CA C 156 48.843 49.861 -1.018 1 1 1708 . 16 1 1 A 150 150 ALA CB C 156 22.573 21.536 1.037 1 1 1709 . 16 1 1 A 150 150 ALA N N 156 127.540 128.711 -1.171 1 1 1710 . 16 1 1 A 151 151 PHE H H 157 8.536 8.168 0.368 1 1 1711 . 16 1 1 A 151 151 PHE HA H 157 5.442 5.775 -0.333 1 1 1718 . 16 1 1 A 151 151 PHE C C 157 171.891 174.216 -2.325 1 1 1719 . 16 1 1 A 151 151 PHE CA C 157 53.282 55.303 -2.021 1 1 1720 . 16 1 1 A 151 151 PHE CB C 157 41.020 42.175 -1.155 1 1 1721 . 16 1 1 A 151 151 PHE N N 157 117.013 118.352 -1.339 1 1 1722 . 16 1 1 A 152 152 GLY H H 158 8.548 8.571 -0.023 1 1 1723 . 16 1 1 A 152 152 GLY HA2 H 158 4.003 4.384 -0.381 1 1 1724 . 16 1 1 A 152 152 GLY HA3 H 158 3.124 4.452 -1.328 1 1 1725 . 16 1 1 A 152 152 GLY C C 158 173.148 172.285 0.863 1 1 1726 . 16 1 1 A 152 152 GLY CA C 158 42.630 45.826 -3.196 1 1 1727 . 16 1 1 A 152 152 GLY N N 158 108.356 107.208 1.148 1 1 1728 . 16 1 1 A 153 153 SER H H 159 7.610 8.061 -0.451 1 1 1729 . 16 1 1 A 153 153 SER HA H 159 3.421 4.272 -0.851 1 1 1732 . 16 1 1 A 153 153 SER C C 159 176.057 173.679 2.378 1 1 1733 . 16 1 1 A 153 153 SER CA C 159 58.787 56.928 1.859 1 1 1734 . 16 1 1 A 153 153 SER CB C 159 61.886 60.939 0.947 1 1 1735 . 16 1 1 A 153 153 SER N N 159 115.173 115.411 -0.238 1 1 1736 . 16 1 1 A 154 154 ASP H H 160 9.894 8.282 1.612 1 1 1737 . 16 1 1 A 154 154 ASP HA H 160 4.168 4.838 -0.670 1 1 1740 . 16 1 1 A 154 154 ASP C C 160 175.191 176.795 -1.604 1 1 1741 . 16 1 1 A 154 154 ASP CA C 160 55.398 55.246 0.152 1 1 1742 . 16 1 1 A 154 154 ASP CB C 160 39.212 43.765 -4.553 1 1 1743 . 16 1 1 A 154 154 ASP N N 160 124.828 124.717 0.111 1 1 1744 . 16 1 1 A 155 155 ASP H H 161 7.520 8.112 -0.592 1 1 1745 . 16 1 1 A 155 155 ASP HA H 161 4.568 4.735 -0.167 1 1 1748 . 16 1 1 A 155 155 ASP C C 161 172.658 176.109 -3.451 1 1 1749 . 16 1 1 A 155 155 ASP CA C 161 54.342 55.847 -1.505 1 1 1750 . 16 1 1 A 155 155 ASP CB C 161 40.619 42.214 -1.595 1 1 1751 . 16 1 1 A 155 155 ASP N N 161 116.749 119.459 -2.710 1 1 1752 . 16 1 1 A 156 156 ALA H H 162 8.544 8.021 0.523 1 1 1753 . 16 1 1 A 156 156 ALA HA H 162 4.916 4.348 0.568 1 1 1757 . 16 1 1 A 156 156 ALA C C 162 177.708 177.724 -0.016 1 1 1758 . 16 1 1 A 156 156 ALA CA C 162 49.878 53.690 -3.812 1 1 1759 . 16 1 1 A 156 156 ALA CB C 162 17.473 18.173 -0.700 1 1 1760 . 16 1 1 A 156 156 ALA N N 162 128.246 120.472 7.774 1 1 1761 . 16 1 1 A 157 157 GLY H H 163 8.406 8.507 -0.101 1 1 1762 . 16 1 1 A 157 157 GLY HA2 H 163 4.286 3.912 0.374 1 1 1763 . 16 1 1 A 157 157 GLY HA3 H 163 3.894 3.989 -0.095 1 1 1764 . 16 1 1 A 157 157 GLY C C 163 174.344 174.625 -0.281 1 1 1765 . 16 1 1 A 157 157 GLY CA C 163 45.049 45.415 -0.366 1 1 1766 . 16 1 1 A 157 157 GLY N N 163 106.545 104.941 1.604 1 1 1767 . 16 1 1 A 158 158 GLY H H 164 7.128 8.131 -1.003 1 1 1768 . 16 1 1 A 158 158 GLY HA2 H 164 4.118 3.923 0.195 1 1 1769 . 16 1 1 A 158 158 GLY HA3 H 164 3.641 3.945 -0.304 1 1 1770 . 16 1 1 A 158 158 GLY C C 164 173.903 173.614 0.289 1 1 1771 . 16 1 1 A 158 158 GLY CA C 164 45.225 47.011 -1.786 1 1 1772 . 16 1 1 A 158 158 GLY N N 164 106.404 108.149 -1.745 1 1 1773 . 16 1 1 A 159 159 LYS H H 165 9.647 8.271 1.376 1 1 1774 . 16 1 1 A 159 159 LYS HA H 165 5.052 4.394 0.658 1 1 1781 . 16 1 1 A 159 159 LYS C C 165 174.390 176.266 -1.876 1 1 1782 . 16 1 1 A 159 159 LYS CA C 165 53.501 55.970 -2.469 1 1 1783 . 16 1 1 A 159 159 LYS CB C 165 34.622 33.720 0.902 1 1 1786 . 16 1 1 A 159 159 LYS N N 165 123.930 123.226 0.704 1 1 1787 . 16 1 1 A 160 160 LEU H H 166 7.706 8.778 -1.072 1 1 1788 . 16 1 1 A 160 160 LEU HA H 166 4.873 5.132 -0.259 1 1 1798 . 16 1 1 A 160 160 LEU C C 166 174.825 174.881 -0.056 1 1 1799 . 16 1 1 A 160 160 LEU CA C 166 52.677 53.335 -0.658 1 1 1800 . 16 1 1 A 160 160 LEU CB C 166 44.629 45.848 -1.219 1 1 1804 . 16 1 1 A 160 160 LEU N N 166 126.271 118.225 8.046 1 1 1805 . 16 1 1 A 161 161 THR H H 167 8.374 8.688 -0.314 1 1 1806 . 16 1 1 A 161 161 THR HA H 167 4.949 5.184 -0.235 1 1 1811 . 16 1 1 A 161 161 THR C C 167 172.102 172.928 -0.826 1 1 1812 . 16 1 1 A 161 161 THR CA C 167 61.761 61.418 0.343 1 1 1813 . 16 1 1 A 161 161 THR CB C 167 70.169 71.178 -1.009 1 1 1815 . 16 1 1 A 161 161 THR N N 167 122.977 115.451 7.526 1 1 1816 . 16 1 1 A 162 162 TYR H H 168 9.174 9.137 0.037 1 1 1817 . 16 1 1 A 162 162 TYR HA H 168 4.766 5.437 -0.671 1 1 1824 . 16 1 1 A 162 162 TYR C C 168 172.249 174.907 -2.658 1 1 1825 . 16 1 1 A 162 162 TYR CA C 168 58.162 56.411 1.751 1 1 1826 . 16 1 1 A 162 162 TYR CB C 168 43.746 43.202 0.544 1 1 1827 . 16 1 1 A 162 162 TYR N N 168 128.112 124.178 3.934 1 1 1828 . 16 1 1 A 163 163 THR H H 169 8.711 8.941 -0.230 1 1 1829 . 16 1 1 A 163 163 THR HA H 169 5.402 5.216 0.186 1 1 1834 . 16 1 1 A 163 163 THR C C 169 172.520 171.924 0.596 1 1 1835 . 16 1 1 A 163 163 THR CA C 169 60.804 60.266 0.538 1 1 1836 . 16 1 1 A 163 163 THR CB C 169 70.818 71.700 -0.882 1 1 1838 . 16 1 1 A 163 163 THR N N 169 124.549 115.181 9.368 1 1 1839 . 16 1 1 A 164 164 ILE H H 170 8.927 8.796 0.131 1 1 1840 . 16 1 1 A 164 164 ILE HA H 170 4.313 4.783 -0.470 1 1 1850 . 16 1 1 A 164 164 ILE C C 170 173.105 173.994 -0.889 1 1 1851 . 16 1 1 A 164 164 ILE CA C 170 60.595 60.017 0.578 1 1 1852 . 16 1 1 A 164 164 ILE CB C 170 41.274 40.530 0.744 1 1 1856 . 16 1 1 A 164 164 ILE N N 170 123.685 127.344 -3.659 1 1 1857 . 16 1 1 A 165 165 ASP H H 171 8.372 8.523 -0.151 1 1 1858 . 16 1 1 A 165 165 ASP HA H 171 4.750 4.762 -0.012 1 1 1861 . 16 1 1 A 165 165 ASP C C 171 177.213 176.044 1.169 1 1 1862 . 16 1 1 A 165 165 ASP CA C 171 51.669 54.099 -2.430 1 1 1863 . 16 1 1 A 165 165 ASP CB C 171 41.730 39.398 2.332 1 1 1864 . 16 1 1 A 165 165 ASP N N 171 125.168 129.435 -4.267 1 1 1865 . 16 1 1 A 166 166 PHE H H 172 8.968 8.081 0.887 1 1 1866 . 16 1 1 A 166 166 PHE HA H 172 3.879 4.180 -0.301 1 1 1874 . 16 1 1 A 166 166 PHE C C 172 176.940 178.356 -1.416 1 1 1875 . 16 1 1 A 166 166 PHE CA C 172 61.543 60.253 1.290 1 1 1876 . 16 1 1 A 166 166 PHE CB C 172 37.424 38.565 -1.141 1 1 1877 . 16 1 1 A 166 166 PHE N N 172 123.597 121.773 1.824 1 1 1878 . 16 1 1 A 167 167 ALA H H 173 8.266 7.969 0.297 1 1 1879 . 16 1 1 A 167 167 ALA HA H 173 4.322 4.391 -0.069 1 1 1883 . 16 1 1 A 167 167 ALA C C 173 178.888 178.107 0.781 1 1 1884 . 16 1 1 A 167 167 ALA CA C 173 54.458 53.762 0.696 1 1 1885 . 16 1 1 A 167 167 ALA CB C 173 17.591 18.459 -0.868 1 1 1886 . 16 1 1 A 167 167 ALA N N 173 122.113 121.571 0.542 1 1 1887 . 16 1 1 A 168 168 ALA H H 174 7.405 7.751 -0.346 1 1 1888 . 16 1 1 A 168 168 ALA HA H 174 4.096 4.366 -0.270 1 1 1892 . 16 1 1 A 168 168 ALA C C 174 176.605 177.316 -0.711 1 1 1893 . 16 1 1 A 168 168 ALA CA C 174 51.225 51.414 -0.189 1 1 1894 . 16 1 1 A 168 168 ALA CB C 174 18.307 19.777 -1.470 1 1 1895 . 16 1 1 A 168 168 ALA N N 174 118.760 120.373 -1.613 1 1 1896 . 16 1 1 A 169 169 LYS H H 175 7.906 7.862 0.044 1 1 1897 . 16 1 1 A 169 169 LYS HA H 175 3.391 3.872 -0.481 1 1 1904 . 16 1 1 A 169 169 LYS C C 175 174.608 174.875 -0.267 1 1 1905 . 16 1 1 A 169 169 LYS CA C 175 57.049 57.338 -0.289 1 1 1906 . 16 1 1 A 169 169 LYS CB C 175 30.051 31.207 -1.156 1 1 1909 . 16 1 1 A 169 169 LYS N N 175 114.394 117.658 -3.264 1 1 1910 . 16 1 1 A 170 170 GLN H H 176 7.629 7.066 0.563 1 1 1911 . 16 1 1 A 170 170 GLN HA H 176 5.414 4.894 0.520 1 1 1918 . 16 1 1 A 170 170 GLN C C 176 174.325 174.518 -0.193 1 1 1919 . 16 1 1 A 170 170 GLN CA C 176 54.393 54.170 0.223 1 1 1920 . 16 1 1 A 170 170 GLN CB C 176 34.771 31.142 3.629 1 1 1922 . 16 1 1 A 170 170 GLN N N 176 116.433 117.979 -1.546 1 1 1924 . 16 1 1 A 171 171 GLY H H 177 8.854 9.353 -0.499 1 1 1925 . 16 1 1 A 171 171 GLY HA2 H 177 5.205 4.174 1.031 1 1 1926 . 16 1 1 A 171 171 GLY HA3 H 177 3.526 4.213 -0.687 1 1 1927 . 16 1 1 A 171 171 GLY C C 177 170.842 172.168 -1.326 1 1 1928 . 16 1 1 A 171 171 GLY CA C 177 44.621 45.282 -0.661 1 1 1929 . 16 1 1 A 171 171 GLY N N 177 110.189 112.213 -2.024 1 1 1930 . 16 1 1 A 172 172 ASN H H 178 7.637 8.780 -1.143 1 1 1931 . 16 1 1 A 172 172 ASN HA H 178 4.224 5.658 -1.434 1 1 1936 . 16 1 1 A 172 172 ASN C C 178 171.546 174.029 -2.483 1 1 1937 . 16 1 1 A 172 172 ASN CA C 178 53.729 51.023 2.706 1 1 1938 . 16 1 1 A 172 172 ASN CB C 178 41.543 41.692 -0.149 1 1 1939 . 16 1 1 A 172 172 ASN N N 178 112.667 122.708 -10.041 1 1 1941 . 16 1 1 A 173 173 GLY H H 179 9.103 8.241 0.862 1 1 1942 . 16 1 1 A 173 173 GLY HA2 H 179 4.491 3.575 0.916 1 1 1943 . 16 1 1 A 173 173 GLY HA3 H 179 4.084 4.049 0.035 1 1 1944 . 16 1 1 A 173 173 GLY C C 179 172.400 171.397 1.003 1 1 1945 . 16 1 1 A 173 173 GLY CA C 179 47.199 45.642 1.557 1 1 1946 . 16 1 1 A 173 173 GLY N N 179 106.686 108.279 -1.593 1 1 1947 . 16 1 1 A 174 174 LYS H H 180 9.179 8.234 0.945 1 1 1948 . 16 1 1 A 174 174 LYS HA H 180 4.821 4.891 -0.070 1 1 1957 . 16 1 1 A 174 174 LYS C C 180 172.518 174.669 -2.151 1 1 1958 . 16 1 1 A 174 174 LYS CA C 180 56.617 54.969 1.648 1 1 1959 . 16 1 1 A 174 174 LYS CB C 180 35.373 35.651 -0.278 1 1 1963 . 16 1 1 A 174 174 LYS N N 180 121.816 115.893 5.923 1 1 1964 . 16 1 1 A 175 175 ILE H H 181 8.351 8.441 -0.090 1 1 1965 . 16 1 1 A 175 175 ILE HA H 181 4.581 4.568 0.013 1 1 1973 . 16 1 1 A 175 175 ILE C C 181 173.997 175.603 -1.606 1 1 1974 . 16 1 1 A 175 175 ILE CA C 181 60.490 60.048 0.442 1 1 1975 . 16 1 1 A 175 175 ILE CB C 181 39.573 38.137 1.436 1 1 1978 . 16 1 1 A 175 175 ILE N N 181 123.400 123.046 0.354 1 1 1979 . 16 1 1 A 176 176 GLU H H 182 8.492 8.717 -0.225 1 1 1980 . 16 1 1 A 176 176 GLU HA H 182 4.471 4.780 -0.309 1 1 1985 . 16 1 1 A 176 176 GLU C C 182 175.392 175.251 0.141 1 1 1986 . 16 1 1 A 176 176 GLU CA C 182 53.410 56.186 -2.776 1 1 1987 . 16 1 1 A 176 176 GLU CB C 182 35.479 32.207 3.272 1 1 1989 . 16 1 1 A 176 176 GLU N N 182 122.287 125.491 -3.204 1 1 1990 . 16 1 1 A 177 177 HIS H H 183 8.431 8.409 0.022 1 1 1991 . 16 1 1 A 177 177 HIS HA H 183 3.975 4.714 -0.739 1 1 1996 . 16 1 1 A 177 177 HIS C C 183 176.008 174.866 1.142 1 1 1997 . 16 1 1 A 177 177 HIS CA C 183 57.533 56.138 1.395 1 1 1998 . 16 1 1 A 177 177 HIS CB C 183 27.362 32.799 -5.437 1 1 1999 . 16 1 1 A 177 177 HIS N N 183 109.605 126.336 -16.731 1 1 2000 . 16 1 1 A 178 178 LEU H H 184 9.603 7.770 1.833 1 1 2001 . 16 1 1 A 178 178 LEU HA H 184 4.276 4.236 0.040 1 1 2011 . 16 1 1 A 178 178 LEU C C 184 178.805 178.244 0.561 1 1 2012 . 16 1 1 A 178 178 LEU CA C 184 56.034 54.860 1.174 1 1 2013 . 16 1 1 A 178 178 LEU CB C 184 39.882 42.204 -2.322 1 1 2017 . 16 1 1 A 178 178 LEU N N 184 124.374 120.807 3.567 1 1 2018 . 16 1 1 A 179 179 LYS H H 185 10.002 8.785 1.217 1 1 2019 . 16 1 1 A 179 179 LYS HA H 185 3.682 4.075 -0.393 1 1 2028 . 16 1 1 A 179 179 LYS C C 185 177.660 176.542 1.118 1 1 2029 . 16 1 1 A 179 179 LYS CA C 185 57.721 58.937 -1.216 1 1 2030 . 16 1 1 A 179 179 LYS CB C 185 31.949 32.096 -0.147 1 1 2034 . 16 1 1 A 179 179 LYS N N 185 122.880 121.408 1.472 1 1 2035 . 16 1 1 A 180 180 SER H H 186 7.262 7.739 -0.477 1 1 2036 . 16 1 1 A 180 180 SER HA H 186 4.672 4.962 -0.290 1 1 2039 . 16 1 1 A 180 180 SER C C 186 173.086 173.601 -0.515 1 1 2040 . 16 1 1 A 180 180 SER CA C 186 54.576 55.189 -0.613 1 1 2041 . 16 1 1 A 180 180 SER CB C 186 62.715 65.404 -2.689 1 1 2042 . 16 1 1 A 180 180 SER N N 186 115.187 112.493 2.694 1 1 2043 . 16 1 1 A 181 181 PRO HA H 187 3.956 4.265 -0.309 1 1 2050 . 16 1 1 A 181 181 PRO CA C 187 65.359 65.173 0.186 1 1 2051 . 16 1 1 A 181 181 PRO CB C 187 32.061 31.939 0.122 1 1 2054 . 16 1 1 A 182 182 GLU H H 188 8.076 8.444 -0.368 1 1 2055 . 16 1 1 A 182 182 GLU HA H 188 3.011 4.134 -1.123 1 1 2060 . 16 1 1 A 182 182 GLU C C 188 173.944 177.955 -4.011 1 1 2061 . 16 1 1 A 182 182 GLU CA C 188 56.597 58.676 -2.079 1 1 2062 . 16 1 1 A 182 182 GLU CB C 188 29.581 28.956 0.625 1 1 2064 . 16 1 1 A 182 182 GLU N N 188 113.034 116.919 -3.885 1 1 2065 . 16 1 1 A 183 183 LEU H H 189 7.126 7.408 -0.282 1 1 2066 . 16 1 1 A 183 183 LEU HA H 189 3.970 4.361 -0.391 1 1 2076 . 16 1 1 A 183 183 LEU C C 189 175.597 177.352 -1.755 1 1 2077 . 16 1 1 A 183 183 LEU CA C 189 53.849 56.063 -2.214 1 1 2078 . 16 1 1 A 183 183 LEU CB C 189 41.152 42.961 -1.809 1 1 2082 . 16 1 1 A 183 183 LEU N N 189 112.896 118.058 -5.162 1 1 2083 . 16 1 1 A 184 184 ASN H H 190 6.952 7.950 -0.998 1 1 2084 . 16 1 1 A 184 184 ASN HA H 190 4.596 4.700 -0.104 1 1 2089 . 16 1 1 A 184 184 ASN C C 190 175.694 174.927 0.767 1 1 2090 . 16 1 1 A 184 184 ASN CA C 190 53.200 53.953 -0.753 1 1 2091 . 16 1 1 A 184 184 ASN CB C 190 36.466 38.807 -2.341 1 1 2092 . 16 1 1 A 184 184 ASN N N 190 117.865 116.820 1.045 1 1 2094 . 16 1 1 A 185 185 VAL H H 191 7.178 8.779 -1.601 1 1 2095 . 16 1 1 A 185 185 VAL HA H 191 4.480 4.778 -0.298 1 1 2103 . 16 1 1 A 185 185 VAL C C 191 174.874 175.161 -0.287 1 1 2104 . 16 1 1 A 185 185 VAL CA C 191 59.753 59.306 0.447 1 1 2105 . 16 1 1 A 185 185 VAL CB C 191 33.035 34.610 -1.575 1 1 2108 . 16 1 1 A 185 185 VAL N N 191 113.276 117.793 -4.517 1 1 2109 . 16 1 1 A 186 186 ASP H H 192 8.827 8.546 0.281 1 1 2110 . 16 1 1 A 186 186 ASP HA H 192 4.779 4.798 -0.019 1 1 2113 . 16 1 1 A 186 186 ASP C C 192 174.919 175.347 -0.428 1 1 2114 . 16 1 1 A 186 186 ASP CA C 192 54.058 54.691 -0.633 1 1 2115 . 16 1 1 A 186 186 ASP CB C 192 41.635 41.876 -0.241 1 1 2116 . 16 1 1 A 186 186 ASP N N 192 118.111 122.164 -4.053 1 1 2117 . 16 1 1 A 187 187 LEU H H 193 8.375 8.055 0.320 1 1 2118 . 16 1 1 A 187 187 LEU HA H 193 4.146 5.083 -0.937 1 1 2127 . 16 1 1 A 187 187 LEU CA C 193 52.331 53.406 -1.075 1 1 2128 . 16 1 1 A 187 187 LEU CB C 193 38.187 45.475 -7.288 1 1 2131 . 16 1 1 A 187 187 LEU N N 193 123.130 124.743 -1.613 1 1 2132 . 16 1 1 A 188 188 ALA H H 194 8.225 8.764 -0.539 1 1 2133 . 16 1 1 A 188 188 ALA HA H 194 4.098 4.502 -0.404 1 1 2137 . 16 1 1 A 188 188 ALA C C 194 176.239 176.958 -0.719 1 1 2138 . 16 1 1 A 188 188 ALA CA C 194 52.498 51.951 0.547 1 1 2139 . 16 1 1 A 188 188 ALA CB C 194 20.030 18.937 1.093 1 1 2140 . 16 1 1 A 188 188 ALA N N 194 126.289 128.727 -2.438 1 1 2141 . 16 1 1 A 189 189 ALA H H 195 8.275 8.274 0.001 1 1 2142 . 16 1 1 A 189 189 ALA HA H 195 4.862 4.335 0.527 1 1 2146 . 16 1 1 A 189 189 ALA C C 195 178.131 177.989 0.142 1 1 2147 . 16 1 1 A 189 189 ALA CA C 195 51.822 53.205 -1.383 1 1 2148 . 16 1 1 A 189 189 ALA CB C 195 17.367 19.033 -1.666 1 1 2149 . 16 1 1 A 189 189 ALA N N 195 122.010 125.729 -3.719 1 1 2150 . 16 1 1 A 190 190 ALA H H 196 8.823 8.894 -0.071 1 1 2151 . 16 1 1 A 190 190 ALA HA H 196 4.634 5.094 -0.460 1 1 2155 . 16 1 1 A 190 190 ALA C C 196 175.141 175.410 -0.269 1 1 2156 . 16 1 1 A 190 190 ALA CA C 196 50.420 50.714 -0.294 1 1 2157 . 16 1 1 A 190 190 ALA CB C 196 23.461 23.740 -0.279 1 1 2158 . 16 1 1 A 190 190 ALA N N 196 126.018 124.299 1.719 1 1 2159 . 16 1 1 A 191 191 ASP H H 197 8.365 8.636 -0.271 1 1 2160 . 16 1 1 A 191 191 ASP HA H 197 5.160 5.171 -0.011 1 1 2163 . 16 1 1 A 191 191 ASP C C 197 176.028 175.522 0.506 1 1 2164 . 16 1 1 A 191 191 ASP CA C 197 54.034 52.614 1.420 1 1 2165 . 16 1 1 A 191 191 ASP CB C 197 41.691 42.770 -1.079 1 1 2166 . 16 1 1 A 191 191 ASP N N 197 118.646 119.232 -0.586 1 1 2167 . 16 1 1 A 192 192 ILE H H 198 7.915 8.280 -0.365 1 1 2168 . 16 1 1 A 192 192 ILE HA H 198 4.315 4.576 -0.261 1 1 2178 . 16 1 1 A 192 192 ILE C C 198 174.684 175.232 -0.548 1 1 2179 . 16 1 1 A 192 192 ILE CA C 198 60.951 60.538 0.413 1 1 2180 . 16 1 1 A 192 192 ILE CB C 198 41.989 38.788 3.201 1 1 2184 . 16 1 1 A 192 192 ILE N N 198 119.664 118.352 1.312 1 1 2185 . 16 1 1 A 193 193 LYS H H 199 9.175 8.350 0.825 1 1 2186 . 16 1 1 A 193 193 LYS HA H 199 4.530 4.699 -0.169 1 1 2195 . 16 1 1 A 193 193 LYS C C 199 172.639 176.365 -3.726 1 1 2196 . 16 1 1 A 193 193 LYS CA C 199 53.361 52.921 0.440 1 1 2197 . 16 1 1 A 193 193 LYS CB C 199 34.758 33.799 0.959 1 1 2201 . 16 1 1 A 193 193 LYS N N 199 127.122 122.722 4.400 1 1 2202 . 16 1 1 A 195 195 ASP H H 201 8.390 7.680 0.710 1 1 2203 . 16 1 1 A 195 195 ASP HA H 201 4.550 4.547 0.003 1 1 2206 . 16 1 1 A 195 195 ASP C C 201 179.300 176.464 2.836 1 1 2207 . 16 1 1 A 195 195 ASP CA C 201 51.354 54.608 -3.254 1 1 2208 . 16 1 1 A 195 195 ASP CB C 201 40.324 41.732 -1.408 1 1 2209 . 16 1 1 A 195 195 ASP N N 201 123.239 122.047 1.192 1 1 2210 . 16 1 1 A 196 196 GLY HA2 H 202 3.718 4.108 -0.390 1 1 2211 . 16 1 1 A 196 196 GLY HA3 H 202 3.437 4.116 -0.679 1 1 2212 . 16 1 1 A 196 196 GLY CA C 202 46.527 44.672 1.855 1 1 2213 . 16 1 1 A 197 197 LYS H H 203 7.740 8.434 -0.694 1 1 2214 . 16 1 1 A 197 197 LYS HA H 203 4.118 4.743 -0.625 1 1 2221 . 16 1 1 A 197 197 LYS C C 203 174.941 176.974 -2.033 1 1 2222 . 16 1 1 A 197 197 LYS CA C 203 55.054 55.750 -0.696 1 1 2223 . 16 1 1 A 197 197 LYS CB C 203 31.192 33.456 -2.264 1 1 2226 . 16 1 1 A 197 197 LYS N N 203 120.305 116.931 3.374 1 1 2227 . 16 1 1 A 198 198 ARG H H 204 8.059 8.182 -0.123 1 1 2228 . 16 1 1 A 198 198 ARG HA H 204 3.441 4.540 -1.099 1 1 2235 . 16 1 1 A 198 198 ARG C C 204 175.152 175.763 -0.611 1 1 2236 . 16 1 1 A 198 198 ARG CA C 204 56.911 56.900 0.011 1 1 2237 . 16 1 1 A 198 198 ARG CB C 204 26.584 33.408 -6.824 1 1 2240 . 16 1 1 A 198 198 ARG N N 204 111.796 118.138 -6.342 1 1 2241 . 16 1 1 A 199 199 HIS H H 205 8.531 8.095 0.436 1 1 2242 . 16 1 1 A 199 199 HIS HA H 205 4.812 5.077 -0.265 1 1 2247 . 16 1 1 A 199 199 HIS C C 205 174.866 173.778 1.088 1 1 2248 . 16 1 1 A 199 199 HIS CA C 205 53.700 54.432 -0.732 1 1 2249 . 16 1 1 A 199 199 HIS CB C 205 27.838 31.295 -3.457 1 1 2250 . 16 1 1 A 199 199 HIS N N 205 120.255 114.996 5.259 1 1 2251 . 16 1 1 A 200 200 ALA H H 206 8.492 8.377 0.115 1 1 2252 . 16 1 1 A 200 200 ALA HA H 206 4.615 4.422 0.193 1 1 2256 . 16 1 1 A 200 200 ALA C C 206 175.840 176.109 -0.269 1 1 2257 . 16 1 1 A 200 200 ALA CA C 206 52.247 50.920 1.327 1 1 2258 . 16 1 1 A 200 200 ALA CB C 206 19.838 19.538 0.300 1 1 2259 . 16 1 1 A 200 200 ALA N N 206 123.237 122.338 0.899 1 1 2260 . 16 1 1 A 201 201 VAL H H 207 9.174 8.202 0.972 1 1 2261 . 16 1 1 A 201 201 VAL HA H 207 4.976 4.363 0.613 1 1 2269 . 16 1 1 A 201 201 VAL C C 207 173.390 174.630 -1.240 1 1 2270 . 16 1 1 A 201 201 VAL CA C 207 60.775 60.334 0.441 1 1 2271 . 16 1 1 A 201 201 VAL CB C 207 35.488 35.994 -0.506 1 1 2274 . 16 1 1 A 201 201 VAL N N 207 123.250 115.336 7.914 1 1 2275 . 16 1 1 A 202 202 ILE H H 208 8.887 8.510 0.377 1 1 2276 . 16 1 1 A 202 202 ILE HA H 208 4.312 4.837 -0.525 1 1 2286 . 16 1 1 A 202 202 ILE C C 208 174.670 174.814 -0.144 1 1 2287 . 16 1 1 A 202 202 ILE CA C 208 60.815 59.910 0.905 1 1 2288 . 16 1 1 A 202 202 ILE CB C 208 41.576 39.995 1.581 1 1 2292 . 16 1 1 A 202 202 ILE N N 208 122.699 126.090 -3.391 1 1 2293 . 16 1 1 A 203 203 SER H H 209 8.416 8.518 -0.102 1 1 2294 . 16 1 1 A 203 203 SER HA H 209 4.913 5.036 -0.123 1 1 2297 . 16 1 1 A 203 203 SER C C 209 172.984 172.652 0.332 1 1 2298 . 16 1 1 A 203 203 SER CA C 209 55.676 56.461 -0.785 1 1 2299 . 16 1 1 A 203 203 SER CB C 209 64.355 65.415 -1.060 1 1 2300 . 16 1 1 A 203 203 SER N N 209 122.067 121.598 0.469 1 1 2301 . 16 1 1 A 204 204 GLY H H 210 7.292 7.723 -0.431 1 1 2302 . 16 1 1 A 204 204 GLY HA2 H 210 4.432 4.236 0.196 1 1 2303 . 16 1 1 A 204 204 GLY HA3 H 210 3.352 4.304 -0.952 1 1 2304 . 16 1 1 A 204 204 GLY C C 210 172.482 172.484 -0.002 1 1 2305 . 16 1 1 A 204 204 GLY CA C 210 45.167 45.128 0.039 1 1 2306 . 16 1 1 A 204 204 GLY N N 210 110.488 113.131 -2.643 1 1 2307 . 16 1 1 A 205 205 SER H H 211 8.652 8.799 -0.147 1 1 2308 . 16 1 1 A 205 205 SER HA H 211 5.027 5.425 -0.398 1 1 2311 . 16 1 1 A 205 205 SER C C 211 172.852 173.293 -0.441 1 1 2312 . 16 1 1 A 205 205 SER CA C 211 58.806 57.490 1.316 1 1 2313 . 16 1 1 A 205 205 SER CB C 211 64.384 66.366 -1.982 1 1 2314 . 16 1 1 A 205 205 SER N N 211 116.497 117.010 -0.513 1 1 2315 . 16 1 1 A 206 206 VAL H H 212 7.400 8.523 -1.123 1 1 2316 . 16 1 1 A 206 206 VAL HA H 212 5.032 4.609 0.423 1 1 2324 . 16 1 1 A 206 206 VAL C C 212 174.500 175.353 -0.853 1 1 2325 . 16 1 1 A 206 206 VAL CA C 212 58.764 61.353 -2.589 1 1 2326 . 16 1 1 A 206 206 VAL CB C 212 30.512 35.369 -4.857 1 1 2329 . 16 1 1 A 206 206 VAL N N 212 117.101 123.028 -5.927 1 1 2330 . 16 1 1 A 207 207 LEU H H 213 8.961 8.736 0.225 1 1 2331 . 16 1 1 A 207 207 LEU HA H 213 5.312 4.610 0.702 1 1 2341 . 16 1 1 A 207 207 LEU C C 213 175.520 175.848 -0.328 1 1 2342 . 16 1 1 A 207 207 LEU CA C 213 52.630 54.600 -1.970 1 1 2343 . 16 1 1 A 207 207 LEU CB C 213 45.567 42.554 3.013 1 1 2347 . 16 1 1 A 207 207 LEU N N 213 124.185 127.978 -3.793 1 1 2348 . 16 1 1 A 208 208 TYR H H 214 8.836 8.840 -0.004 1 1 2349 . 16 1 1 A 208 208 TYR HA H 214 4.766 4.889 -0.123 1 1 2356 . 16 1 1 A 208 208 TYR C C 214 175.964 174.760 1.204 1 1 2357 . 16 1 1 A 208 208 TYR CA C 214 56.943 57.666 -0.723 1 1 2358 . 16 1 1 A 208 208 TYR CB C 214 41.736 41.902 -0.166 1 1 2359 . 16 1 1 A 208 208 TYR N N 214 120.202 119.496 0.706 1 1 2360 . 16 1 1 A 209 209 ASN H H 215 9.292 9.336 -0.044 1 1 2361 . 16 1 1 A 209 209 ASN HA H 215 4.001 4.294 -0.293 1 1 2366 . 16 1 1 A 209 209 ASN C C 215 174.336 174.308 0.028 1 1 2367 . 16 1 1 A 209 209 ASN CA C 215 53.923 54.107 -0.184 1 1 2368 . 16 1 1 A 209 209 ASN CB C 215 36.468 37.108 -0.640 1 1 2369 . 16 1 1 A 209 209 ASN N N 215 129.805 125.997 3.808 1 1 2371 . 16 1 1 A 210 210 GLN H H 216 8.614 8.452 0.162 1 1 2372 . 16 1 1 A 210 210 GLN HA H 216 3.453 3.829 -0.376 1 1 2379 . 16 1 1 A 210 210 GLN C C 216 173.521 174.658 -1.137 1 1 2380 . 16 1 1 A 210 210 GLN CA C 216 57.881 57.061 0.820 1 1 2381 . 16 1 1 A 210 210 GLN CB C 216 26.089 26.311 -0.222 1 1 2383 . 16 1 1 A 210 210 GLN N N 216 106.396 110.251 -3.855 1 1 2385 . 16 1 1 A 211 211 ALA H H 217 7.657 7.433 0.224 1 1 2386 . 16 1 1 A 211 211 ALA HA H 217 4.608 4.458 0.150 1 1 2390 . 16 1 1 A 211 211 ALA C C 217 176.432 176.579 -0.147 1 1 2391 . 16 1 1 A 211 211 ALA CA C 217 50.786 50.972 -0.186 1 1 2392 . 16 1 1 A 211 211 ALA CB C 217 20.499 21.059 -0.560 1 1 2393 . 16 1 1 A 211 211 ALA N N 217 123.338 118.431 4.907 1 1 2394 . 16 1 1 A 212 212 GLU H H 218 8.712 8.751 -0.039 1 1 2395 . 16 1 1 A 212 212 GLU HA H 218 4.525 4.178 0.347 1 1 2400 . 16 1 1 A 212 212 GLU C C 218 177.924 174.285 3.639 1 1 2401 . 16 1 1 A 212 212 GLU CA C 218 57.550 58.724 -1.174 1 1 2402 . 16 1 1 A 212 212 GLU CB C 218 28.811 28.695 0.116 1 1 2404 . 16 1 1 A 212 212 GLU N N 218 122.631 116.580 6.051 1 1 2405 . 16 1 1 A 213 213 LYS H H 219 8.835 8.722 0.113 1 1 2406 . 16 1 1 A 213 213 LYS HA H 219 4.612 4.958 -0.346 1 1 2415 . 16 1 1 A 213 213 LYS C C 219 173.786 175.204 -1.418 1 1 2416 . 16 1 1 A 213 213 LYS CA C 219 53.115 55.449 -2.334 1 1 2417 . 16 1 1 A 213 213 LYS CB C 219 34.180 35.675 -1.495 1 1 2421 . 16 1 1 A 213 213 LYS N N 219 126.870 121.016 5.854 1 1 2422 . 16 1 1 A 214 214 GLY H H 220 7.929 9.383 -1.454 1 1 2423 . 16 1 1 A 214 214 GLY HA2 H 220 5.469 4.227 1.242 1 1 2424 . 16 1 1 A 214 214 GLY HA3 H 220 3.719 4.230 -0.511 1 1 2425 . 16 1 1 A 214 214 GLY C C 220 173.926 172.772 1.154 1 1 2426 . 16 1 1 A 214 214 GLY CA C 220 44.536 44.570 -0.034 1 1 2427 . 16 1 1 A 214 214 GLY N N 220 107.019 112.384 -5.365 1 1 2428 . 16 1 1 A 215 215 SER H H 221 8.678 8.858 -0.180 1 1 2429 . 16 1 1 A 215 215 SER HA H 221 5.460 5.524 -0.064 1 1 2432 . 16 1 1 A 215 215 SER C C 221 171.043 173.158 -2.115 1 1 2433 . 16 1 1 A 215 215 SER CA C 221 56.810 56.933 -0.123 1 1 2434 . 16 1 1 A 215 215 SER CB C 221 66.671 66.432 0.239 1 1 2435 . 16 1 1 A 215 215 SER N N 221 117.334 113.752 3.582 1 1 2436 . 16 1 1 A 216 216 TYR H H 222 8.958 9.153 -0.195 1 1 2437 . 16 1 1 A 216 216 TYR HA H 222 5.389 5.781 -0.392 1 1 2445 . 16 1 1 A 216 216 TYR C C 222 172.789 174.012 -1.223 1 1 2446 . 16 1 1 A 216 216 TYR CA C 222 55.819 55.509 0.310 1 1 2447 . 16 1 1 A 216 216 TYR CB C 222 41.681 42.239 -0.558 1 1 2448 . 16 1 1 A 216 216 TYR N N 222 117.645 118.922 -1.277 1 1 2449 . 16 1 1 A 217 217 SER H H 223 8.837 8.876 -0.039 1 1 2450 . 16 1 1 A 217 217 SER HA H 223 5.165 5.185 -0.020 1 1 2453 . 16 1 1 A 217 217 SER C C 223 173.125 172.973 0.152 1 1 2454 . 16 1 1 A 217 217 SER CA C 223 56.600 57.360 -0.760 1 1 2455 . 16 1 1 A 217 217 SER CB C 223 64.500 65.838 -1.338 1 1 2456 . 16 1 1 A 217 217 SER N N 223 115.593 116.354 -0.761 1 1 2457 . 16 1 1 A 218 218 LEU H H 224 9.299 8.633 0.666 1 1 2458 . 16 1 1 A 218 218 LEU HA H 224 4.748 4.821 -0.073 1 1 2468 . 16 1 1 A 218 218 LEU C C 224 175.567 174.689 0.878 1 1 2469 . 16 1 1 A 218 218 LEU CA C 224 53.138 53.745 -0.607 1 1 2470 . 16 1 1 A 218 218 LEU CB C 224 46.255 45.035 1.220 1 1 2474 . 16 1 1 A 218 218 LEU N N 224 123.523 121.583 1.940 1 1 2475 . 16 1 1 A 219 219 GLY H H 225 9.041 8.138 0.903 1 1 2476 . 16 1 1 A 219 219 GLY HA2 H 225 4.620 4.270 0.350 1 1 2477 . 16 1 1 A 219 219 GLY HA3 H 225 3.413 4.338 -0.925 1 1 2478 . 16 1 1 A 219 219 GLY C C 225 171.514 171.873 -0.359 1 1 2479 . 16 1 1 A 219 219 GLY CA C 225 43.777 43.922 -0.145 1 1 2480 . 16 1 1 A 219 219 GLY N N 225 108.999 105.986 3.013 1 1 2481 . 16 1 1 A 220 220 ILE H H 226 6.853 8.876 -2.023 1 1 2482 . 16 1 1 A 220 220 ILE HA H 226 4.615 4.434 0.181 1 1 2492 . 16 1 1 A 220 220 ILE C C 226 174.750 175.797 -1.047 1 1 2493 . 16 1 1 A 220 220 ILE CA C 226 60.421 61.518 -1.097 1 1 2494 . 16 1 1 A 220 220 ILE CB C 226 38.213 37.899 0.314 1 1 2498 . 16 1 1 A 220 220 ILE N N 226 120.223 121.736 -1.513 1 1 2499 . 16 1 1 A 221 221 PHE H H 227 9.392 9.126 0.266 1 1 2500 . 16 1 1 A 221 221 PHE HA H 227 4.770 5.169 -0.399 1 1 2507 . 16 1 1 A 221 221 PHE C C 227 175.093 175.699 -0.606 1 1 2508 . 16 1 1 A 221 221 PHE CA C 227 58.053 56.641 1.412 1 1 2509 . 16 1 1 A 221 221 PHE CB C 227 42.505 41.696 0.809 1 1 2510 . 16 1 1 A 221 221 PHE N N 227 128.229 127.145 1.084 1 1 2511 . 16 1 1 A 222 222 GLY H H 228 8.675 8.841 -0.166 1 1 2512 . 16 1 1 A 222 222 GLY HA2 H 228 3.174 4.127 -0.953 1 1 2513 . 16 1 1 A 222 222 GLY HA3 H 228 4.311 4.196 0.115 1 1 2514 . 16 1 1 A 222 222 GLY CA C 228 42.438 44.720 -2.282 1 1 2515 . 16 1 1 A 222 222 GLY N N 228 104.634 110.891 -6.257 1 1 2516 . 16 1 1 A 223 223 GLY CA C 229 46.870 45.729 1.141 1 1 2517 . 16 1 1 A 224 224 LYS H H 230 8.366 7.954 0.412 1 1 2518 . 16 1 1 A 224 224 LYS HA H 230 4.305 4.536 -0.231 1 1 2523 . 16 1 1 A 224 224 LYS C C 230 174.717 175.898 -1.181 1 1 2524 . 16 1 1 A 224 224 LYS CA C 230 54.119 55.090 -0.971 1 1 2525 . 16 1 1 A 224 224 LYS CB C 230 30.821 33.575 -2.754 1 1 2527 . 16 1 1 A 224 224 LYS N N 230 118.720 118.102 0.618 1 1 2528 . 16 1 1 A 225 225 ALA H H 231 7.633 8.232 -0.599 1 1 2529 . 16 1 1 A 225 225 ALA HA H 231 3.810 4.214 -0.404 1 1 2533 . 16 1 1 A 225 225 ALA C C 231 176.702 177.488 -0.786 1 1 2534 . 16 1 1 A 225 225 ALA CA C 231 51.868 53.225 -1.357 1 1 2535 . 16 1 1 A 225 225 ALA CB C 231 16.117 17.346 -1.229 1 1 2536 . 16 1 1 A 225 225 ALA N N 231 118.077 120.572 -2.495 1 1 2537 . 16 1 1 A 226 226 GLN H H 232 9.387 8.064 1.323 1 1 2538 . 16 1 1 A 226 226 GLN HA H 232 3.877 4.328 -0.451 1 1 2543 . 16 1 1 A 226 226 GLN C C 232 175.992 175.706 0.286 1 1 2544 . 16 1 1 A 226 226 GLN CA C 232 60.989 57.749 3.240 1 1 2545 . 16 1 1 A 226 226 GLN CB C 232 28.695 30.184 -1.489 1 1 2547 . 16 1 1 A 226 226 GLN N N 232 117.991 118.061 -0.070 1 1 2548 . 16 1 1 A 227 227 GLU H H 233 8.825 7.387 1.438 1 1 2549 . 16 1 1 A 227 227 GLU HA H 233 5.411 4.374 1.037 1 1 2554 . 16 1 1 A 227 227 GLU C C 233 174.939 173.571 1.368 1 1 2555 . 16 1 1 A 227 227 GLU CA C 233 54.289 55.272 -0.983 1 1 2556 . 16 1 1 A 227 227 GLU CB C 233 33.797 31.910 1.887 1 1 2558 . 16 1 1 A 227 227 GLU N N 233 116.638 115.043 1.595 1 1 2559 . 16 1 1 A 228 228 VAL H H 234 8.343 8.478 -0.135 1 1 2560 . 16 1 1 A 228 228 VAL HA H 234 5.544 4.814 0.730 1 1 2568 . 16 1 1 A 228 228 VAL C C 234 174.839 174.033 0.806 1 1 2569 . 16 1 1 A 228 228 VAL CA C 234 57.867 59.816 -1.949 1 1 2570 . 16 1 1 A 228 228 VAL CB C 234 35.379 34.208 1.171 1 1 2573 . 16 1 1 A 228 228 VAL N N 234 109.304 115.041 -5.737 1 1 2574 . 16 1 1 A 229 229 ALA H H 235 8.475 8.387 0.088 1 1 2575 . 16 1 1 A 229 229 ALA HA H 235 4.937 5.168 -0.231 1 1 2579 . 16 1 1 A 229 229 ALA C C 235 176.417 175.737 0.680 1 1 2580 . 16 1 1 A 229 229 ALA CA C 235 51.303 51.310 -0.007 1 1 2581 . 16 1 1 A 229 229 ALA CB C 235 20.301 23.960 -3.659 1 1 2582 . 16 1 1 A 229 229 ALA N N 235 120.653 124.675 -4.022 1 1 2583 . 16 1 1 A 230 230 GLY H H 236 9.361 8.216 1.145 1 1 2584 . 16 1 1 A 230 230 GLY HA2 H 236 5.075 4.193 0.882 1 1 2585 . 16 1 1 A 230 230 GLY HA3 H 236 4.017 4.222 -0.205 1 1 2586 . 16 1 1 A 230 230 GLY C C 236 170.130 171.998 -1.868 1 1 2587 . 16 1 1 A 230 230 GLY CA C 236 46.221 45.938 0.283 1 1 2588 . 16 1 1 A 230 230 GLY N N 236 111.104 106.699 4.405 1 1 2589 . 16 1 1 A 231 231 SER H H 237 8.889 8.868 0.021 1 1 2590 . 16 1 1 A 231 231 SER HA H 237 5.276 5.289 -0.013 1 1 2593 . 16 1 1 A 231 231 SER C C 237 171.360 172.750 -1.390 1 1 2594 . 16 1 1 A 231 231 SER CA C 237 56.498 57.328 -0.830 1 1 2595 . 16 1 1 A 231 231 SER CB C 237 66.398 66.203 0.195 1 1 2596 . 16 1 1 A 231 231 SER N N 237 115.308 116.167 -0.859 1 1 2597 . 16 1 1 A 232 232 ALA H H 238 9.083 9.033 0.050 1 1 2598 . 16 1 1 A 232 232 ALA HA H 238 5.148 5.422 -0.274 1 1 2602 . 16 1 1 A 232 232 ALA C C 238 174.537 174.929 -0.392 1 1 2603 . 16 1 1 A 232 232 ALA CA C 238 49.904 50.637 -0.733 1 1 2604 . 16 1 1 A 232 232 ALA CB C 238 21.729 23.374 -1.645 1 1 2605 . 16 1 1 A 232 232 ALA N N 238 119.911 123.201 -3.290 1 1 2606 . 16 1 1 A 233 233 GLU H H 239 9.015 8.994 0.021 1 1 2607 . 16 1 1 A 233 233 GLU HA H 239 4.631 5.151 -0.520 1 1 2612 . 16 1 1 A 233 233 GLU C C 239 174.122 174.283 -0.161 1 1 2613 . 16 1 1 A 233 233 GLU CA C 239 54.786 54.793 -0.007 1 1 2614 . 16 1 1 A 233 233 GLU CB C 239 31.355 33.401 -2.046 1 1 2616 . 16 1 1 A 233 233 GLU N N 239 122.744 121.757 0.987 1 1 2617 . 16 1 1 A 234 234 VAL H H 240 8.792 8.874 -0.082 1 1 2618 . 16 1 1 A 234 234 VAL HA H 240 4.394 4.761 -0.367 1 1 2623 . 16 1 1 A 234 234 VAL C C 240 174.833 173.611 1.222 1 1 2624 . 16 1 1 A 234 234 VAL CA C 240 61.427 59.483 1.944 1 1 2625 . 16 1 1 A 234 234 VAL CB C 240 33.863 35.401 -1.538 1 1 2627 . 16 1 1 A 234 234 VAL N N 240 124.203 122.681 1.522 1 1 2628 . 16 1 1 A 235 235 LYS H H 241 8.841 8.238 0.603 1 1 2629 . 16 1 1 A 235 235 LYS HA H 241 3.981 4.606 -0.625 1 1 2638 . 16 1 1 A 235 235 LYS C C 241 174.548 176.387 -1.839 1 1 2639 . 16 1 1 A 235 235 LYS CA C 241 55.955 54.784 1.171 1 1 2640 . 16 1 1 A 235 235 LYS CB C 241 32.100 32.397 -0.297 1 1 2644 . 16 1 1 A 235 235 LYS N N 241 127.554 127.747 -0.193 1 1 2645 . 16 1 1 A 236 236 THR H H 242 7.212 8.565 -1.353 1 1 2646 . 16 1 1 A 236 236 THR HA H 242 4.355 4.584 -0.229 1 1 2651 . 16 1 1 A 236 236 THR C C 242 176.482 176.405 0.077 1 1 2652 . 16 1 1 A 236 236 THR CA C 242 61.054 61.129 -0.075 1 1 2653 . 16 1 1 A 236 236 THR CB C 242 72.642 71.132 1.510 1 1 2655 . 16 1 1 A 236 236 THR N N 242 114.463 117.661 -3.198 1 1 2656 . 16 1 1 A 237 237 VAL H H 243 9.582 9.100 0.482 1 1 2657 . 16 1 1 A 237 237 VAL HA H 243 3.849 3.708 0.141 1 1 2665 . 16 1 1 A 237 237 VAL C C 243 176.201 177.478 -1.277 1 1 2666 . 16 1 1 A 237 237 VAL CA C 243 64.701 66.411 -1.710 1 1 2667 . 16 1 1 A 237 237 VAL CB C 243 31.028 32.182 -1.154 1 1 2669 . 16 1 1 A 237 237 VAL N N 243 120.670 122.383 -1.713 1 1 2670 . 16 1 1 A 238 238 ASN H H 244 7.572 7.808 -0.236 1 1 2671 . 16 1 1 A 238 238 ASN HA H 244 4.882 4.818 0.064 1 1 2676 . 16 1 1 A 238 238 ASN C C 244 173.835 175.506 -1.671 1 1 2677 . 16 1 1 A 238 238 ASN CA C 244 52.022 53.214 -1.192 1 1 2678 . 16 1 1 A 238 238 ASN CB C 244 39.176 39.342 -0.166 1 1 2679 . 16 1 1 A 238 238 ASN N N 244 115.638 116.778 -1.140 1 1 2681 . 16 1 1 A 239 239 GLY H H 245 7.362 7.645 -0.283 1 1 2682 . 16 1 1 A 239 239 GLY HA2 H 245 4.539 4.044 0.495 1 1 2683 . 16 1 1 A 239 239 GLY HA3 H 245 3.728 4.059 -0.331 1 1 2684 . 16 1 1 A 239 239 GLY C C 245 174.343 172.710 1.633 1 1 2685 . 16 1 1 A 239 239 GLY CA C 245 43.316 43.732 -0.416 1 1 2686 . 16 1 1 A 239 239 GLY N N 245 107.650 105.991 1.659 1 1 2687 . 16 1 1 A 240 240 ILE H H 246 8.672 8.284 0.388 1 1 2688 . 16 1 1 A 240 240 ILE HA H 246 4.351 4.399 -0.048 1 1 2698 . 16 1 1 A 240 240 ILE C C 246 176.899 174.657 2.242 1 1 2699 . 16 1 1 A 240 240 ILE CA C 246 61.120 61.513 -0.393 1 1 2700 . 16 1 1 A 240 240 ILE CB C 246 36.906 38.503 -1.597 1 1 2704 . 16 1 1 A 240 240 ILE N N 246 122.673 121.193 1.480 1 1 2705 . 16 1 1 A 241 241 ARG H H 247 9.233 8.616 0.617 1 1 2706 . 16 1 1 A 241 241 ARG HA H 247 4.370 4.930 -0.560 1 1 2713 . 16 1 1 A 241 241 ARG C C 247 173.925 174.935 -1.010 1 1 2714 . 16 1 1 A 241 241 ARG CA C 247 53.461 54.538 -1.077 1 1 2715 . 16 1 1 A 241 241 ARG CB C 247 31.910 34.178 -2.268 1 1 2718 . 16 1 1 A 241 241 ARG N N 247 128.497 126.914 1.583 1 1 2719 . 16 1 1 A 242 242 HIS H H 248 8.519 8.701 -0.182 1 1 2720 . 16 1 1 A 242 242 HIS HA H 248 5.323 4.971 0.352 1 1 2725 . 16 1 1 A 242 242 HIS C C 248 174.635 175.204 -0.569 1 1 2726 . 16 1 1 A 242 242 HIS CA C 248 55.759 55.958 -0.199 1 1 2727 . 16 1 1 A 242 242 HIS CB C 248 32.921 31.436 1.485 1 1 2728 . 16 1 1 A 242 242 HIS N N 248 121.131 125.251 -4.120 1 1 2729 . 16 1 1 A 243 243 ILE H H 249 8.723 8.986 -0.263 1 1 2730 . 16 1 1 A 243 243 ILE HA H 249 4.522 4.709 -0.187 1 1 2740 . 16 1 1 A 243 243 ILE C C 249 176.188 175.341 0.847 1 1 2741 . 16 1 1 A 243 243 ILE CA C 249 58.524 59.918 -1.394 1 1 2742 . 16 1 1 A 243 243 ILE CB C 249 41.977 42.609 -0.632 1 1 2746 . 16 1 1 A 243 243 ILE N N 249 119.438 121.964 -2.526 1 1 2747 . 16 1 1 A 244 244 GLY H H 250 9.351 8.699 0.652 1 1 2748 . 16 1 1 A 244 244 GLY HA2 H 250 3.707 2.990 0.717 1 1 2749 . 16 1 1 A 244 244 GLY HA3 H 250 2.119 3.836 -1.717 1 1 2750 . 16 1 1 A 244 244 GLY C C 250 170.981 171.828 -0.847 1 1 2751 . 16 1 1 A 244 244 GLY CA C 250 44.178 43.991 0.187 1 1 2752 . 16 1 1 A 244 244 GLY N N 250 113.700 113.882 -0.182 1 1 2753 . 16 1 1 A 245 245 LEU H H 251 7.833 8.382 -0.549 1 1 2754 . 16 1 1 A 245 245 LEU HA H 251 4.717 5.015 -0.298 1 1 2764 . 16 1 1 A 245 245 LEU C C 251 174.501 176.283 -1.782 1 1 2765 . 16 1 1 A 245 245 LEU CA C 251 52.508 53.484 -0.976 1 1 2766 . 16 1 1 A 245 245 LEU CB C 251 46.764 44.376 2.388 1 1 2770 . 16 1 1 A 245 245 LEU N N 251 120.798 124.041 -3.243 1 1 2771 . 16 1 1 A 246 246 ALA H H 252 7.906 8.705 -0.799 1 1 2772 . 16 1 1 A 246 246 ALA HA H 252 4.589 4.855 -0.266 1 1 2776 . 16 1 1 A 246 246 ALA C C 252 173.363 176.066 -2.703 1 1 2777 . 16 1 1 A 246 246 ALA CA C 252 51.546 51.739 -0.193 1 1 2778 . 16 1 1 A 246 246 ALA CB C 252 21.524 19.790 1.734 1 1 2779 . 16 1 1 A 246 246 ALA N N 252 122.885 124.533 -1.648 1 1 2780 . 16 1 1 A 247 247 ALA H H 253 9.041 8.672 0.369 1 1 2781 . 16 1 1 A 247 247 ALA HA H 253 4.726 5.369 -0.643 1 1 2785 . 16 1 1 A 247 247 ALA C C 253 174.897 175.451 -0.554 1 1 2786 . 16 1 1 A 247 247 ALA CA C 253 51.723 50.827 0.896 1 1 2787 . 16 1 1 A 247 247 ALA CB C 253 22.967 21.384 1.583 1 1 2788 . 16 1 1 A 247 247 ALA N N 253 122.967 126.071 -3.104 1 1 2789 . 16 1 1 A 248 248 LYS H H 254 8.171 8.667 -0.496 1 1 2790 . 16 1 1 A 248 248 LYS HA H 254 5.731 4.969 0.762 1 1 2797 . 16 1 1 A 248 248 LYS C C 254 175.094 175.075 0.019 1 1 2798 . 16 1 1 A 248 248 LYS CA C 254 53.866 54.264 -0.398 1 1 2799 . 16 1 1 A 248 248 LYS CB C 254 36.312 36.179 0.133 1 1 2802 . 16 1 1 A 248 248 LYS N N 254 115.734 123.950 -8.216 1 1 60 . 17 1 1 A 9 9 GLY H H 15 8.346 8.305 0.041 1 1 61 . 17 1 1 A 9 9 GLY HA2 H 15 4.021 3.959 0.062 1 1 62 . 17 1 1 A 9 9 GLY HA3 H 15 3.772 3.961 -0.189 1 1 63 . 17 1 1 A 9 9 GLY C C 15 174.259 175.210 -0.951 1 1 64 . 17 1 1 A 9 9 GLY CA C 15 45.581 45.988 -0.407 1 1 65 . 17 1 1 A 9 9 GLY N N 15 107.368 107.561 -0.193 1 1 66 . 17 1 1 A 10 10 LEU H H 16 7.224 8.092 -0.868 1 1 67 . 17 1 1 A 10 10 LEU HA H 16 3.736 4.127 -0.391 1 1 77 . 17 1 1 A 10 10 LEU C C 16 178.202 179.121 -0.919 1 1 78 . 17 1 1 A 10 10 LEU CA C 16 57.915 57.307 0.608 1 1 79 . 17 1 1 A 10 10 LEU CB C 16 40.686 41.170 -0.484 1 1 83 . 17 1 1 A 10 10 LEU N N 16 117.616 120.844 -3.228 1 1 84 . 17 1 1 A 11 11 ALA H H 17 7.860 7.815 0.045 1 1 85 . 17 1 1 A 11 11 ALA HA H 17 3.937 4.022 -0.085 1 1 89 . 17 1 1 A 11 11 ALA C C 17 181.090 178.837 2.253 1 1 90 . 17 1 1 A 11 11 ALA CA C 17 54.860 55.274 -0.414 1 1 91 . 17 1 1 A 11 11 ALA CB C 17 17.248 17.983 -0.735 1 1 92 . 17 1 1 A 11 11 ALA N N 17 117.757 121.979 -4.222 1 1 93 . 17 1 1 A 12 12 ASP H H 18 8.017 8.269 -0.252 1 1 94 . 17 1 1 A 12 12 ASP HA H 18 4.223 4.331 -0.108 1 1 97 . 17 1 1 A 12 12 ASP C C 18 177.941 178.267 -0.326 1 1 98 . 17 1 1 A 12 12 ASP CA C 18 56.341 57.257 -0.916 1 1 99 . 17 1 1 A 12 12 ASP CB C 18 39.312 41.276 -1.964 1 1 100 . 17 1 1 A 12 12 ASP N N 18 118.410 118.902 -0.492 1 1 101 . 17 1 1 A 13 13 ALA H H 19 8.205 7.875 0.330 1 1 102 . 17 1 1 A 13 13 ALA HA H 19 3.952 4.189 -0.237 1 1 106 . 17 1 1 A 13 13 ALA C C 19 178.856 179.578 -0.722 1 1 107 . 17 1 1 A 13 13 ALA CA C 19 55.039 55.098 -0.059 1 1 108 . 17 1 1 A 13 13 ALA CB C 19 17.779 18.424 -0.645 1 1 109 . 17 1 1 A 13 13 ALA N N 19 121.480 121.584 -0.104 1 1 110 . 17 1 1 A 14 14 LEU H H 20 7.217 7.876 -0.659 1 1 111 . 17 1 1 A 14 14 LEU HA H 20 4.258 4.256 0.002 1 1 121 . 17 1 1 A 14 14 LEU C C 20 177.544 177.867 -0.323 1 1 122 . 17 1 1 A 14 14 LEU CA C 20 55.511 56.223 -0.712 1 1 123 . 17 1 1 A 14 14 LEU CB C 20 42.176 41.805 0.371 1 1 126 . 17 1 1 A 14 14 LEU N N 20 113.410 118.620 -5.210 1 1 127 . 17 1 1 A 15 15 THR H H 21 7.624 7.518 0.106 1 1 128 . 17 1 1 A 15 15 THR HA H 21 4.394 4.542 -0.148 1 1 133 . 17 1 1 A 15 15 THR C C 21 174.959 175.140 -0.181 1 1 134 . 17 1 1 A 15 15 THR CA C 21 61.733 62.322 -0.589 1 1 135 . 17 1 1 A 15 15 THR CB C 21 71.514 69.747 1.767 1 1 137 . 17 1 1 A 15 15 THR N N 21 106.072 107.349 -1.277 1 1 138 . 17 1 1 A 16 16 ALA H H 22 8.932 7.859 1.073 1 1 139 . 17 1 1 A 16 16 ALA HA H 22 4.624 4.722 -0.098 1 1 143 . 17 1 1 A 16 16 ALA C C 22 175.978 175.034 0.944 1 1 144 . 17 1 1 A 16 16 ALA CA C 22 50.681 49.907 0.774 1 1 145 . 17 1 1 A 16 16 ALA CB C 22 18.728 21.989 -3.261 1 1 146 . 17 1 1 A 16 16 ALA N N 22 127.789 121.563 6.226 1 1 147 . 17 1 1 A 17 17 PRO HA H 23 4.430 4.842 -0.412 1 1 154 . 17 1 1 A 17 17 PRO CA C 23 61.497 62.820 -1.323 1 1 155 . 17 1 1 A 17 17 PRO CB C 23 31.775 33.712 -1.937 1 1 158 . 17 1 1 A 18 18 LEU H H 24 8.154 8.352 -0.198 1 1 159 . 17 1 1 A 18 18 LEU HA H 24 3.894 4.608 -0.714 1 1 169 . 17 1 1 A 18 18 LEU C C 24 176.447 177.577 -1.130 1 1 170 . 17 1 1 A 18 18 LEU CA C 24 55.510 54.934 0.576 1 1 171 . 17 1 1 A 18 18 LEU CB C 24 40.921 43.913 -2.992 1 1 175 . 17 1 1 A 18 18 LEU N N 24 121.010 118.113 2.897 1 1 176 . 17 1 1 A 19 19 ASP H H 25 8.758 8.289 0.469 1 1 177 . 17 1 1 A 19 19 ASP HA H 25 4.626 4.265 0.361 1 1 180 . 17 1 1 A 19 19 ASP C C 25 176.425 175.721 0.704 1 1 181 . 17 1 1 A 19 19 ASP CA C 25 52.688 56.221 -3.533 1 1 182 . 17 1 1 A 19 19 ASP CB C 25 42.819 39.509 3.310 1 1 183 . 17 1 1 A 19 19 ASP N N 25 124.654 115.179 9.475 1 1 184 . 17 1 1 A 20 20 HIS HA H 26 4.272 4.488 -0.216 1 1 189 . 17 1 1 A 20 20 HIS CA C 26 58.100 57.705 0.395 1 1 190 . 17 1 1 A 20 20 HIS CB C 26 29.200 29.477 -0.277 1 1 191 . 17 1 1 A 21 21 LYS H H 27 8.348 8.121 0.227 1 1 192 . 17 1 1 A 21 21 LYS HA H 27 3.970 3.765 0.205 1 1 201 . 17 1 1 A 21 21 LYS C C 27 177.393 175.670 1.723 1 1 202 . 17 1 1 A 21 21 LYS CA C 27 56.320 59.125 -2.805 1 1 203 . 17 1 1 A 21 21 LYS CB C 27 30.950 32.430 -1.480 1 1 206 . 17 1 1 A 21 21 LYS N N 27 118.419 116.359 2.060 1 1 207 . 17 1 1 A 22 22 ASP H H 28 7.451 8.040 -0.589 1 1 208 . 17 1 1 A 22 22 ASP HA H 28 4.307 4.572 -0.265 1 1 211 . 17 1 1 A 22 22 ASP C C 28 176.212 175.158 1.054 1 1 212 . 17 1 1 A 22 22 ASP CA C 28 54.164 56.344 -2.180 1 1 213 . 17 1 1 A 22 22 ASP CB C 28 40.091 39.551 0.540 1 1 214 . 17 1 1 A 22 22 ASP N N 28 120.045 115.907 4.138 1 1 215 . 17 1 1 A 23 23 LYS H H 29 8.416 8.900 -0.484 1 1 216 . 17 1 1 A 23 23 LYS HA H 29 3.962 3.874 0.088 1 1 225 . 17 1 1 A 23 23 LYS C C 29 177.409 175.954 1.455 1 1 226 . 17 1 1 A 23 23 LYS CA C 29 56.254 57.642 -1.388 1 1 227 . 17 1 1 A 23 23 LYS CB C 29 31.950 30.629 1.321 1 1 231 . 17 1 1 A 23 23 LYS N N 29 121.925 116.800 5.125 1 1 232 . 17 1 1 A 24 24 GLY H H 30 8.612 7.814 0.798 1 1 233 . 17 1 1 A 24 24 GLY HA2 H 30 3.655 4.061 -0.406 1 1 234 . 17 1 1 A 24 24 GLY HA3 H 30 3.519 4.076 -0.557 1 1 235 . 17 1 1 A 24 24 GLY CA C 30 44.788 45.803 -1.015 1 1 236 . 17 1 1 A 24 24 GLY N N 30 111.487 107.397 4.090 1 1 237 . 17 1 1 A 25 25 LEU H H 31 8.054 8.268 -0.214 1 1 238 . 17 1 1 A 25 25 LEU HA H 31 3.770 4.370 -0.600 1 1 248 . 17 1 1 A 25 25 LEU CA C 31 55.906 55.944 -0.038 1 1 249 . 17 1 1 A 25 25 LEU CB C 31 44.428 42.266 2.162 1 1 253 . 17 1 1 A 25 25 LEU N N 31 127.196 121.960 5.236 1 1 254 . 17 1 1 A 26 26 GLN H H 32 9.184 8.886 0.298 1 1 255 . 17 1 1 A 26 26 GLN HA H 32 3.437 4.662 -1.225 1 1 262 . 17 1 1 A 26 26 GLN C C 32 174.347 174.729 -0.382 1 1 263 . 17 1 1 A 26 26 GLN CA C 32 57.926 55.441 2.485 1 1 264 . 17 1 1 A 26 26 GLN CB C 32 27.721 30.549 -2.828 1 1 266 . 17 1 1 A 26 26 GLN N N 32 131.782 125.166 6.616 1 1 268 . 17 1 1 A 27 27 SER H H 33 7.240 7.726 -0.486 1 1 269 . 17 1 1 A 27 27 SER HA H 33 4.981 5.150 -0.169 1 1 272 . 17 1 1 A 27 27 SER C C 33 171.111 172.099 -0.988 1 1 273 . 17 1 1 A 27 27 SER CA C 33 56.782 57.495 -0.713 1 1 274 . 17 1 1 A 27 27 SER CB C 33 64.611 65.839 -1.228 1 1 275 . 17 1 1 A 27 27 SER N N 33 108.936 113.683 -4.747 1 1 276 . 17 1 1 A 28 28 LEU H H 34 8.010 8.730 -0.720 1 1 277 . 17 1 1 A 28 28 LEU HA H 34 4.372 5.362 -0.990 1 1 287 . 17 1 1 A 28 28 LEU C C 34 174.697 175.706 -1.009 1 1 288 . 17 1 1 A 28 28 LEU CA C 34 53.332 53.570 -0.238 1 1 289 . 17 1 1 A 28 28 LEU CB C 34 45.636 45.508 0.128 1 1 293 . 17 1 1 A 28 28 LEU N N 34 121.826 119.847 1.979 1 1 294 . 17 1 1 A 29 29 THR H H 35 8.810 8.759 0.051 1 1 295 . 17 1 1 A 29 29 THR HA H 35 4.046 4.975 -0.929 1 1 300 . 17 1 1 A 29 29 THR C C 35 172.792 173.247 -0.455 1 1 301 . 17 1 1 A 29 29 THR CA C 35 62.565 61.870 0.695 1 1 302 . 17 1 1 A 29 29 THR CB C 35 68.233 71.037 -2.804 1 1 304 . 17 1 1 A 29 29 THR N N 35 123.892 117.729 6.163 1 1 305 . 17 1 1 A 30 30 LEU H H 36 8.662 8.519 0.143 1 1 306 . 17 1 1 A 30 30 LEU HA H 36 4.150 4.699 -0.549 1 1 316 . 17 1 1 A 30 30 LEU C C 36 174.707 176.084 -1.377 1 1 317 . 17 1 1 A 30 30 LEU CA C 36 53.789 54.136 -0.347 1 1 318 . 17 1 1 A 30 30 LEU CB C 36 40.562 41.448 -0.886 1 1 322 . 17 1 1 A 30 30 LEU N N 36 128.365 126.952 1.413 1 1 323 . 17 1 1 A 31 31 ASP H H 37 8.500 9.023 -0.523 1 1 324 . 17 1 1 A 31 31 ASP HA H 37 4.837 4.933 -0.096 1 1 327 . 17 1 1 A 31 31 ASP CA C 37 54.657 54.267 0.390 1 1 328 . 17 1 1 A 31 31 ASP CB C 37 43.089 43.794 -0.705 1 1 329 . 17 1 1 A 31 31 ASP N N 37 123.194 126.333 -3.139 1 1 330 . 17 1 1 A 32 32 GLN H H 38 10.453 8.244 2.209 1 1 331 . 17 1 1 A 32 32 GLN HA H 38 3.808 4.200 -0.392 1 1 338 . 17 1 1 A 32 32 GLN C C 38 178.535 177.964 0.571 1 1 339 . 17 1 1 A 32 32 GLN CA C 38 56.284 57.591 -1.307 1 1 340 . 17 1 1 A 32 32 GLN CB C 38 28.175 28.758 -0.583 1 1 342 . 17 1 1 A 32 32 GLN N N 38 120.692 117.483 3.209 1 1 344 . 17 1 1 A 33 33 SER H H 39 8.523 7.856 0.667 1 1 345 . 17 1 1 A 33 33 SER HA H 39 4.081 4.450 -0.369 1 1 348 . 17 1 1 A 33 33 SER C C 39 171.792 174.553 -2.761 1 1 349 . 17 1 1 A 33 33 SER CA C 39 61.436 60.006 1.430 1 1 350 . 17 1 1 A 33 33 SER CB C 39 63.008 64.066 -1.058 1 1 351 . 17 1 1 A 33 33 SER N N 39 111.712 112.658 -0.946 1 1 352 . 17 1 1 A 34 34 VAL H H 40 6.691 7.737 -1.046 1 1 353 . 17 1 1 A 34 34 VAL HA H 40 3.890 4.720 -0.830 1 1 361 . 17 1 1 A 34 34 VAL C C 40 172.251 173.987 -1.736 1 1 362 . 17 1 1 A 34 34 VAL CA C 40 60.415 59.992 0.423 1 1 363 . 17 1 1 A 34 34 VAL CB C 40 32.306 36.433 -4.127 1 1 366 . 17 1 1 A 34 34 VAL N N 40 115.971 117.804 -1.833 1 1 367 . 17 1 1 A 35 35 ARG H H 41 8.184 8.248 -0.064 1 1 368 . 17 1 1 A 35 35 ARG HA H 41 4.176 4.674 -0.498 1 1 375 . 17 1 1 A 35 35 ARG C C 41 176.886 177.624 -0.738 1 1 376 . 17 1 1 A 35 35 ARG CA C 41 55.599 54.227 1.372 1 1 377 . 17 1 1 A 35 35 ARG CB C 41 30.569 31.699 -1.130 1 1 380 . 17 1 1 A 35 35 ARG N N 41 125.397 123.830 1.567 1 1 381 . 17 1 1 A 36 36 LYS H H 42 8.493 8.836 -0.343 1 1 382 . 17 1 1 A 36 36 LYS HA H 42 3.778 3.941 -0.163 1 1 391 . 17 1 1 A 36 36 LYS C C 42 176.596 178.085 -1.489 1 1 392 . 17 1 1 A 36 36 LYS CA C 42 58.687 60.091 -1.404 1 1 393 . 17 1 1 A 36 36 LYS CB C 42 31.959 32.271 -0.312 1 1 397 . 17 1 1 A 36 36 LYS N N 42 119.360 119.688 -0.328 1 1 398 . 17 1 1 A 37 37 ASN H H 43 8.513 8.398 0.115 1 1 399 . 17 1 1 A 37 37 ASN HA H 43 4.438 4.711 -0.273 1 1 404 . 17 1 1 A 37 37 ASN C C 43 173.867 174.338 -0.471 1 1 405 . 17 1 1 A 37 37 ASN CA C 43 55.127 52.664 2.463 1 1 406 . 17 1 1 A 37 37 ASN CB C 43 37.071 37.575 -0.504 1 1 407 . 17 1 1 A 37 37 ASN N N 43 115.488 113.940 1.548 1 1 409 . 17 1 1 A 38 38 GLU H H 44 7.793 7.738 0.055 1 1 410 . 17 1 1 A 38 38 GLU HA H 44 4.772 4.968 -0.196 1 1 413 . 17 1 1 A 38 38 GLU C C 44 175.262 174.304 0.958 1 1 414 . 17 1 1 A 38 38 GLU CA C 44 54.808 54.932 -0.124 1 1 415 . 17 1 1 A 38 38 GLU CB C 44 32.321 32.635 -0.314 1 1 416 . 17 1 1 A 38 38 GLU N N 44 118.734 121.281 -2.547 1 1 417 . 17 1 1 A 39 39 LYS H H 45 8.706 9.251 -0.545 1 1 418 . 17 1 1 A 39 39 LYS HA H 45 4.606 5.034 -0.428 1 1 427 . 17 1 1 A 39 39 LYS C C 45 174.312 175.829 -1.517 1 1 428 . 17 1 1 A 39 39 LYS CA C 45 52.782 54.815 -2.033 1 1 429 . 17 1 1 A 39 39 LYS CB C 45 35.174 33.941 1.233 1 1 433 . 17 1 1 A 39 39 LYS N N 45 117.132 128.599 -11.467 1 1 434 . 17 1 1 A 40 40 LEU H H 46 9.085 8.767 0.318 1 1 435 . 17 1 1 A 40 40 LEU HA H 46 5.044 4.997 0.047 1 1 442 . 17 1 1 A 40 40 LEU C C 46 173.778 175.171 -1.393 1 1 443 . 17 1 1 A 40 40 LEU CA C 46 52.590 53.098 -0.508 1 1 444 . 17 1 1 A 40 40 LEU CB C 46 44.855 43.122 1.733 1 1 447 . 17 1 1 A 40 40 LEU N N 46 125.335 123.821 1.514 1 1 448 . 17 1 1 A 41 41 LYS H H 47 9.263 8.633 0.630 1 1 449 . 17 1 1 A 41 41 LYS HA H 47 5.049 4.890 0.159 1 1 458 . 17 1 1 A 41 41 LYS C C 47 175.616 173.686 1.930 1 1 459 . 17 1 1 A 41 41 LYS CA C 47 53.864 54.488 -0.624 1 1 460 . 17 1 1 A 41 41 LYS CB C 47 32.986 35.486 -2.500 1 1 464 . 17 1 1 A 41 41 LYS N N 47 129.833 119.980 9.853 1 1 465 . 17 1 1 A 42 42 LEU H H 48 8.954 8.926 0.028 1 1 466 . 17 1 1 A 42 42 LEU HA H 48 5.458 5.050 0.408 1 1 476 . 17 1 1 A 42 42 LEU C C 48 175.565 174.777 0.788 1 1 477 . 17 1 1 A 42 42 LEU CA C 48 51.964 53.111 -1.147 1 1 478 . 17 1 1 A 42 42 LEU CB C 48 44.393 44.808 -0.415 1 1 482 . 17 1 1 A 42 42 LEU N N 48 126.292 128.492 -2.200 1 1 483 . 17 1 1 A 43 43 ALA H H 49 8.804 8.457 0.347 1 1 484 . 17 1 1 A 43 43 ALA HA H 49 5.304 5.038 0.266 1 1 488 . 17 1 1 A 43 43 ALA C C 49 176.301 175.727 0.574 1 1 489 . 17 1 1 A 43 43 ALA CA C 49 51.004 51.451 -0.447 1 1 490 . 17 1 1 A 43 43 ALA CB C 49 23.453 23.433 0.020 1 1 491 . 17 1 1 A 43 43 ALA N N 49 120.789 126.938 -6.149 1 1 492 . 17 1 1 A 44 44 ALA H H 50 8.117 8.392 -0.275 1 1 493 . 17 1 1 A 44 44 ALA HA H 50 4.485 4.582 -0.097 1 1 497 . 17 1 1 A 44 44 ALA C C 50 176.254 175.587 0.667 1 1 498 . 17 1 1 A 44 44 ALA CA C 50 53.021 51.615 1.406 1 1 499 . 17 1 1 A 44 44 ALA CB C 50 23.682 22.419 1.263 1 1 500 . 17 1 1 A 44 44 ALA N N 50 120.678 120.755 -0.077 1 1 501 . 17 1 1 A 45 45 GLN H H 51 9.035 9.226 -0.191 1 1 502 . 17 1 1 A 45 45 GLN HA H 51 3.774 3.968 -0.194 1 1 509 . 17 1 1 A 45 45 GLN C C 51 175.259 175.970 -0.711 1 1 510 . 17 1 1 A 45 45 GLN CA C 51 56.074 57.033 -0.959 1 1 511 . 17 1 1 A 45 45 GLN CB C 51 27.339 27.100 0.239 1 1 513 . 17 1 1 A 45 45 GLN N N 51 116.299 122.408 -6.109 1 1 515 . 17 1 1 A 46 46 GLY H H 52 8.441 8.550 -0.109 1 1 516 . 17 1 1 A 46 46 GLY HA2 H 52 4.066 3.801 0.265 1 1 517 . 17 1 1 A 46 46 GLY HA3 H 52 3.510 3.803 -0.293 1 1 518 . 17 1 1 A 46 46 GLY C C 52 173.050 173.788 -0.738 1 1 519 . 17 1 1 A 46 46 GLY CA C 52 44.998 45.418 -0.420 1 1 520 . 17 1 1 A 46 46 GLY N N 52 105.419 104.811 0.608 1 1 521 . 17 1 1 A 47 47 ALA H H 53 8.152 7.530 0.622 1 1 522 . 17 1 1 A 47 47 ALA HA H 53 4.767 4.857 -0.090 1 1 526 . 17 1 1 A 47 47 ALA C C 53 175.989 175.806 0.183 1 1 527 . 17 1 1 A 47 47 ALA CA C 53 49.918 50.742 -0.824 1 1 528 . 17 1 1 A 47 47 ALA CB C 53 22.720 22.707 0.013 1 1 529 . 17 1 1 A 47 47 ALA N N 53 124.355 122.962 1.393 1 1 530 . 17 1 1 A 48 48 GLU H H 54 8.156 9.216 -1.060 1 1 531 . 17 1 1 A 48 48 GLU HA H 54 5.488 5.275 0.213 1 1 536 . 17 1 1 A 48 48 GLU C C 54 174.224 173.918 0.306 1 1 537 . 17 1 1 A 48 48 GLU CA C 54 54.346 54.600 -0.254 1 1 538 . 17 1 1 A 48 48 GLU CB C 54 34.305 33.660 0.645 1 1 540 . 17 1 1 A 48 48 GLU N N 54 116.655 116.448 0.207 1 1 541 . 17 1 1 A 49 49 LYS H H 55 8.852 9.018 -0.166 1 1 542 . 17 1 1 A 49 49 LYS HA H 55 4.190 4.757 -0.567 1 1 549 . 17 1 1 A 49 49 LYS C C 55 172.887 174.366 -1.479 1 1 550 . 17 1 1 A 49 49 LYS CA C 55 56.414 54.897 1.517 1 1 551 . 17 1 1 A 49 49 LYS CB C 55 34.723 36.034 -1.311 1 1 554 . 17 1 1 A 49 49 LYS N N 55 122.922 120.925 1.997 1 1 555 . 17 1 1 A 50 50 THR H H 56 7.910 8.631 -0.721 1 1 556 . 17 1 1 A 50 50 THR HA H 56 4.908 4.514 0.394 1 1 561 . 17 1 1 A 50 50 THR C C 56 173.112 173.683 -0.571 1 1 562 . 17 1 1 A 50 50 THR CA C 56 61.998 62.125 -0.127 1 1 563 . 17 1 1 A 50 50 THR CB C 56 68.596 69.341 -0.745 1 1 565 . 17 1 1 A 50 50 THR N N 56 120.811 122.602 -1.791 1 1 566 . 17 1 1 A 51 51 TYR H H 57 9.432 9.275 0.157 1 1 567 . 17 1 1 A 51 51 TYR HA H 57 4.493 5.516 -1.023 1 1 574 . 17 1 1 A 51 51 TYR C C 57 174.156 175.358 -1.202 1 1 575 . 17 1 1 A 51 51 TYR CA C 57 57.375 55.607 1.768 1 1 576 . 17 1 1 A 51 51 TYR CB C 57 41.895 40.973 0.922 1 1 577 . 17 1 1 A 51 51 TYR N N 57 127.372 126.843 0.529 1 1 578 . 17 1 1 A 52 52 GLY H H 58 9.154 8.906 0.248 1 1 579 . 17 1 1 A 52 52 GLY HA2 H 58 3.543 4.088 -0.545 1 1 580 . 17 1 1 A 52 52 GLY HA3 H 58 3.543 4.092 -0.549 1 1 581 . 17 1 1 A 52 52 GLY C C 58 172.527 173.984 -1.457 1 1 582 . 17 1 1 A 52 52 GLY CA C 58 42.304 45.756 -3.452 1 1 583 . 17 1 1 A 52 52 GLY N N 58 108.920 110.289 -1.369 1 1 584 . 17 1 1 A 53 53 ASN H H 59 8.877 8.972 -0.095 1 1 585 . 17 1 1 A 53 53 ASN HA H 59 4.034 4.649 -0.615 1 1 588 . 17 1 1 A 53 53 ASN C C 59 176.319 174.981 1.338 1 1 589 . 17 1 1 A 53 53 ASN CA C 59 57.108 53.851 3.257 1 1 590 . 17 1 1 A 53 53 ASN CB C 59 39.672 38.346 1.326 1 1 591 . 17 1 1 A 53 53 ASN N N 59 117.281 120.303 -3.022 1 1 592 . 17 1 1 A 54 54 GLY H H 60 8.949 8.717 0.232 1 1 593 . 17 1 1 A 54 54 GLY HA2 H 60 4.222 3.861 0.361 1 1 594 . 17 1 1 A 54 54 GLY HA3 H 60 3.348 3.868 -0.520 1 1 595 . 17 1 1 A 54 54 GLY C C 60 174.096 173.503 0.593 1 1 596 . 17 1 1 A 54 54 GLY CA C 60 44.931 45.667 -0.736 1 1 597 . 17 1 1 A 54 54 GLY N N 60 114.860 112.027 2.833 1 1 598 . 17 1 1 A 55 55 ASP H H 61 7.991 8.011 -0.020 1 1 599 . 17 1 1 A 55 55 ASP HA H 61 4.493 5.032 -0.539 1 1 602 . 17 1 1 A 55 55 ASP C C 61 174.727 174.855 -0.128 1 1 603 . 17 1 1 A 55 55 ASP CA C 61 54.408 53.495 0.913 1 1 604 . 17 1 1 A 55 55 ASP CB C 61 41.780 42.957 -1.177 1 1 605 . 17 1 1 A 55 55 ASP N N 61 121.974 120.807 1.167 1 1 606 . 17 1 1 A 56 56 SER H H 62 8.485 8.549 -0.064 1 1 607 . 17 1 1 A 56 56 SER HA H 62 4.959 5.074 -0.115 1 1 610 . 17 1 1 A 56 56 SER C C 62 173.099 172.620 0.479 1 1 611 . 17 1 1 A 56 56 SER CA C 62 57.154 57.466 -0.312 1 1 612 . 17 1 1 A 56 56 SER CB C 62 64.522 66.322 -1.800 1 1 613 . 17 1 1 A 56 56 SER N N 62 113.088 112.403 0.685 1 1 614 . 17 1 1 A 57 57 LEU H H 63 9.004 8.928 0.076 1 1 615 . 17 1 1 A 57 57 LEU HA H 63 4.500 4.872 -0.372 1 1 625 . 17 1 1 A 57 57 LEU C C 63 175.943 175.063 0.880 1 1 626 . 17 1 1 A 57 57 LEU CA C 63 53.070 54.310 -1.240 1 1 627 . 17 1 1 A 57 57 LEU CB C 63 43.800 45.038 -1.238 1 1 630 . 17 1 1 A 57 57 LEU N N 63 126.423 123.073 3.350 1 1 631 . 17 1 1 A 58 58 ASN H H 64 8.484 8.974 -0.490 1 1 632 . 17 1 1 A 58 58 ASN HA H 64 4.752 5.053 -0.301 1 1 635 . 17 1 1 A 58 58 ASN C C 64 173.916 175.480 -1.564 1 1 636 . 17 1 1 A 58 58 ASN CA C 64 50.587 53.290 -2.703 1 1 637 . 17 1 1 A 58 58 ASN CB C 64 35.153 39.151 -3.998 1 1 638 . 17 1 1 A 58 58 ASN N N 64 125.624 125.374 0.250 1 1 639 . 17 1 1 A 59 59 THR H H 65 7.747 8.803 -1.056 1 1 640 . 17 1 1 A 59 59 THR HA H 65 4.770 4.676 0.094 1 1 645 . 17 1 1 A 59 59 THR C C 65 177.245 175.239 2.006 1 1 646 . 17 1 1 A 59 59 THR CA C 65 63.213 61.123 2.090 1 1 647 . 17 1 1 A 59 59 THR CB C 65 63.510 70.478 -6.968 1 1 649 . 17 1 1 A 59 59 THR N N 65 113.770 116.567 -2.797 1 1 650 . 17 1 1 A 60 60 GLY H H 66 8.869 8.533 0.336 1 1 651 . 17 1 1 A 60 60 GLY HA2 H 66 3.839 3.754 0.085 1 1 652 . 17 1 1 A 60 60 GLY HA3 H 66 3.724 3.766 -0.042 1 1 653 . 17 1 1 A 60 60 GLY C C 66 173.279 175.689 -2.410 1 1 654 . 17 1 1 A 60 60 GLY CA C 66 44.892 47.063 -2.171 1 1 655 . 17 1 1 A 60 60 GLY N N 66 114.430 111.300 3.130 1 1 656 . 17 1 1 A 61 61 LYS H H 67 6.376 7.891 -1.515 1 1 657 . 17 1 1 A 61 61 LYS HA H 67 4.021 4.391 -0.370 1 1 666 . 17 1 1 A 61 61 LYS C C 67 176.315 175.784 0.531 1 1 667 . 17 1 1 A 61 61 LYS CA C 67 54.298 55.143 -0.845 1 1 668 . 17 1 1 A 61 61 LYS CB C 67 32.200 30.981 1.219 1 1 672 . 17 1 1 A 61 61 LYS N N 67 112.620 121.879 -9.259 1 1 673 . 17 1 1 A 62 62 LEU H H 68 7.335 8.049 -0.714 1 1 674 . 17 1 1 A 62 62 LEU HA H 68 4.275 4.544 -0.269 1 1 684 . 17 1 1 A 62 62 LEU C C 68 176.306 176.352 -0.046 1 1 685 . 17 1 1 A 62 62 LEU CA C 68 52.479 53.254 -0.775 1 1 686 . 17 1 1 A 62 62 LEU CB C 68 40.600 42.569 -1.969 1 1 689 . 17 1 1 A 62 62 LEU N N 68 116.704 126.477 -9.773 1 1 690 . 17 1 1 A 63 63 LYS H H 69 8.506 7.946 0.560 1 1 691 . 17 1 1 A 63 63 LYS HA H 69 3.992 4.240 -0.248 1 1 700 . 17 1 1 A 63 63 LYS C C 69 175.886 174.686 1.200 1 1 701 . 17 1 1 A 63 63 LYS CA C 69 54.986 58.123 -3.137 1 1 702 . 17 1 1 A 63 63 LYS CB C 69 32.447 31.851 0.596 1 1 706 . 17 1 1 A 63 63 LYS N N 69 119.841 124.389 -4.548 1 1 707 . 17 1 1 A 64 64 ASN H H 70 8.080 8.653 -0.573 1 1 708 . 17 1 1 A 64 64 ASN HA H 70 3.839 5.124 -1.285 1 1 713 . 17 1 1 A 64 64 ASN C C 70 174.449 174.963 -0.514 1 1 714 . 17 1 1 A 64 64 ASN CA C 70 54.417 51.496 2.921 1 1 715 . 17 1 1 A 64 64 ASN CB C 70 38.129 42.072 -3.943 1 1 716 . 17 1 1 A 64 64 ASN N N 70 121.515 118.146 3.369 1 1 718 . 17 1 1 A 65 65 ASP H H 71 9.218 9.129 0.089 1 1 719 . 17 1 1 A 65 65 ASP HA H 71 3.690 4.324 -0.634 1 1 722 . 17 1 1 A 65 65 ASP C C 71 173.016 174.744 -1.728 1 1 723 . 17 1 1 A 65 65 ASP CA C 71 54.726 54.990 -0.264 1 1 724 . 17 1 1 A 65 65 ASP CB C 71 38.534 39.746 -1.212 1 1 725 . 17 1 1 A 65 65 ASP N N 71 113.370 121.945 -8.575 1 1 726 . 17 1 1 A 66 66 LYS H H 72 6.443 7.573 -1.130 1 1 727 . 17 1 1 A 66 66 LYS HA H 72 4.411 4.633 -0.222 1 1 734 . 17 1 1 A 66 66 LYS C C 72 174.745 174.495 0.250 1 1 735 . 17 1 1 A 66 66 LYS CA C 72 53.094 54.139 -1.045 1 1 736 . 17 1 1 A 66 66 LYS CB C 72 36.099 35.668 0.431 1 1 739 . 17 1 1 A 66 66 LYS N N 72 113.415 113.746 -0.331 1 1 740 . 17 1 1 A 67 67 VAL H H 73 8.679 7.950 0.729 1 1 741 . 17 1 1 A 67 67 VAL HA H 73 4.189 4.176 0.013 1 1 749 . 17 1 1 A 67 67 VAL C C 73 176.630 175.176 1.454 1 1 750 . 17 1 1 A 67 67 VAL CA C 73 62.135 60.930 1.205 1 1 751 . 17 1 1 A 67 67 VAL CB C 73 32.001 32.400 -0.399 1 1 753 . 17 1 1 A 67 67 VAL N N 73 122.098 117.969 4.129 1 1 754 . 17 1 1 A 68 68 SER H H 74 9.497 8.666 0.831 1 1 755 . 17 1 1 A 68 68 SER HA H 74 4.507 4.723 -0.216 1 1 758 . 17 1 1 A 68 68 SER C C 74 172.249 174.085 -1.836 1 1 759 . 17 1 1 A 68 68 SER CA C 74 58.323 57.974 0.349 1 1 760 . 17 1 1 A 68 68 SER CB C 74 64.028 63.857 0.171 1 1 761 . 17 1 1 A 68 68 SER N N 74 127.048 123.685 3.363 1 1 762 . 17 1 1 A 69 69 ARG H H 75 7.848 8.223 -0.375 1 1 763 . 17 1 1 A 69 69 ARG HA H 75 5.031 4.622 0.409 1 1 770 . 17 1 1 A 69 69 ARG C C 75 173.300 175.472 -2.172 1 1 771 . 17 1 1 A 69 69 ARG CA C 75 55.337 55.568 -0.231 1 1 772 . 17 1 1 A 69 69 ARG CB C 75 31.871 30.903 0.968 1 1 775 . 17 1 1 A 69 69 ARG N N 75 122.621 125.303 -2.682 1 1 776 . 17 1 1 A 70 70 PHE H H 76 9.246 8.751 0.495 1 1 777 . 17 1 1 A 70 70 PHE HA H 76 4.808 4.921 -0.113 1 1 784 . 17 1 1 A 70 70 PHE C C 76 175.788 174.204 1.584 1 1 785 . 17 1 1 A 70 70 PHE CA C 76 55.245 56.764 -1.519 1 1 786 . 17 1 1 A 70 70 PHE CB C 76 43.645 43.385 0.260 1 1 787 . 17 1 1 A 70 70 PHE N N 76 118.087 120.003 -1.916 1 1 788 . 17 1 1 A 71 71 ASP H H 77 9.144 8.934 0.210 1 1 789 . 17 1 1 A 71 71 ASP HA H 77 5.360 5.433 -0.073 1 1 792 . 17 1 1 A 71 71 ASP C C 77 176.477 175.159 1.318 1 1 793 . 17 1 1 A 71 71 ASP CA C 77 55.131 53.173 1.958 1 1 794 . 17 1 1 A 71 71 ASP CB C 77 41.301 43.170 -1.869 1 1 795 . 17 1 1 A 71 71 ASP N N 77 123.565 122.188 1.377 1 1 796 . 17 1 1 A 72 72 PHE H H 78 9.094 8.628 0.466 1 1 797 . 17 1 1 A 72 72 PHE HA H 78 6.431 5.271 1.160 1 1 805 . 17 1 1 A 72 72 PHE C C 78 174.014 173.300 0.714 1 1 806 . 17 1 1 A 72 72 PHE CA C 78 54.934 57.046 -2.112 1 1 807 . 17 1 1 A 72 72 PHE CB C 78 42.491 43.038 -0.547 1 1 808 . 17 1 1 A 72 72 PHE N N 78 119.663 124.019 -4.356 1 1 809 . 17 1 1 A 73 73 ILE H H 79 8.623 8.537 0.086 1 1 810 . 17 1 1 A 73 73 ILE HA H 79 4.334 5.035 -0.701 1 1 820 . 17 1 1 A 73 73 ILE C C 79 173.961 174.782 -0.821 1 1 821 . 17 1 1 A 73 73 ILE CA C 79 61.222 59.993 1.229 1 1 822 . 17 1 1 A 73 73 ILE CB C 79 41.918 42.421 -0.503 1 1 826 . 17 1 1 A 73 73 ILE N N 79 119.750 125.784 -6.034 1 1 827 . 17 1 1 A 74 74 ARG H H 80 9.052 9.171 -0.119 1 1 828 . 17 1 1 A 74 74 ARG HA H 80 5.311 5.006 0.305 1 1 835 . 17 1 1 A 74 74 ARG C C 80 174.870 175.433 -0.563 1 1 836 . 17 1 1 A 74 74 ARG CA C 80 54.449 55.066 -0.617 1 1 837 . 17 1 1 A 74 74 ARG CB C 80 33.740 32.522 1.218 1 1 840 . 17 1 1 A 74 74 ARG N N 80 128.407 126.478 1.929 1 1 841 . 17 1 1 A 75 75 GLN H H 81 9.304 9.013 0.291 1 1 842 . 17 1 1 A 75 75 GLN HA H 81 5.562 5.178 0.384 1 1 849 . 17 1 1 A 75 75 GLN C C 81 173.678 174.514 -0.836 1 1 850 . 17 1 1 A 75 75 GLN CA C 81 53.745 54.437 -0.692 1 1 851 . 17 1 1 A 75 75 GLN CB C 81 34.013 32.456 1.557 1 1 853 . 17 1 1 A 75 75 GLN N N 81 125.481 123.571 1.910 1 1 855 . 17 1 1 A 76 76 ILE H H 82 8.592 8.969 -0.377 1 1 856 . 17 1 1 A 76 76 ILE HA H 82 4.576 4.896 -0.320 1 1 866 . 17 1 1 A 76 76 ILE C C 82 172.511 174.806 -2.295 1 1 867 . 17 1 1 A 76 76 ILE CA C 82 59.622 59.308 0.314 1 1 868 . 17 1 1 A 76 76 ILE CB C 82 42.248 42.020 0.228 1 1 872 . 17 1 1 A 76 76 ILE N N 82 115.536 121.688 -6.152 1 1 873 . 17 1 1 A 77 77 GLU H H 83 8.433 8.780 -0.347 1 1 874 . 17 1 1 A 77 77 GLU HA H 83 4.936 4.825 0.111 1 1 879 . 17 1 1 A 77 77 GLU C C 83 175.614 174.986 0.628 1 1 880 . 17 1 1 A 77 77 GLU CA C 83 54.812 55.397 -0.585 1 1 881 . 17 1 1 A 77 77 GLU CB C 83 30.465 29.963 0.502 1 1 883 . 17 1 1 A 77 77 GLU N N 83 124.858 127.123 -2.265 1 1 884 . 17 1 1 A 78 78 VAL H H 84 8.879 8.592 0.287 1 1 885 . 17 1 1 A 78 78 VAL HA H 84 4.076 4.313 -0.237 1 1 893 . 17 1 1 A 78 78 VAL C C 84 175.694 176.400 -0.706 1 1 894 . 17 1 1 A 78 78 VAL CA C 84 61.382 61.427 -0.045 1 1 895 . 17 1 1 A 78 78 VAL CB C 84 34.014 31.487 2.527 1 1 897 . 17 1 1 A 78 78 VAL N N 84 126.973 126.643 0.330 1 1 898 . 17 1 1 A 79 79 ASP H H 85 9.329 9.312 0.017 1 1 899 . 17 1 1 A 79 79 ASP HA H 85 4.156 4.285 -0.129 1 1 902 . 17 1 1 A 79 79 ASP C C 85 175.774 175.479 0.295 1 1 903 . 17 1 1 A 79 79 ASP CA C 85 55.125 55.213 -0.088 1 1 904 . 17 1 1 A 79 79 ASP CB C 85 38.926 39.743 -0.817 1 1 905 . 17 1 1 A 79 79 ASP N N 85 129.387 127.737 1.650 1 1 906 . 17 1 1 A 80 80 GLY H H 86 8.575 8.695 -0.120 1 1 907 . 17 1 1 A 80 80 GLY HA2 H 86 3.992 3.878 0.114 1 1 908 . 17 1 1 A 80 80 GLY HA3 H 86 3.507 3.878 -0.371 1 1 909 . 17 1 1 A 80 80 GLY C C 86 173.366 173.720 -0.354 1 1 910 . 17 1 1 A 80 80 GLY CA C 86 44.759 45.501 -0.742 1 1 911 . 17 1 1 A 80 80 GLY N N 86 103.293 103.509 -0.216 1 1 912 . 17 1 1 A 81 81 GLN H H 87 7.751 8.114 -0.363 1 1 913 . 17 1 1 A 81 81 GLN HA H 87 4.482 4.767 -0.285 1 1 918 . 17 1 1 A 81 81 GLN C C 87 173.874 174.979 -1.105 1 1 919 . 17 1 1 A 81 81 GLN CA C 87 53.328 54.375 -1.047 1 1 920 . 17 1 1 A 81 81 GLN CB C 87 30.670 31.206 -0.536 1 1 922 . 17 1 1 A 81 81 GLN N N 87 119.688 119.419 0.269 1 1 923 . 17 1 1 A 82 82 LEU H H 88 8.418 8.815 -0.397 1 1 924 . 17 1 1 A 82 82 LEU HA H 88 4.630 5.212 -0.582 1 1 934 . 17 1 1 A 82 82 LEU C C 88 176.289 176.095 0.194 1 1 935 . 17 1 1 A 82 82 LEU CA C 88 53.834 53.483 0.351 1 1 936 . 17 1 1 A 82 82 LEU CB C 88 41.737 44.807 -3.070 1 1 940 . 17 1 1 A 82 82 LEU N N 88 123.523 122.163 1.360 1 1 941 . 17 1 1 A 83 83 ILE H H 89 9.146 8.976 0.170 1 1 942 . 17 1 1 A 83 83 ILE HA H 89 4.249 5.051 -0.802 1 1 952 . 17 1 1 A 83 83 ILE C C 89 175.698 175.053 0.645 1 1 953 . 17 1 1 A 83 83 ILE CA C 89 59.363 59.844 -0.481 1 1 954 . 17 1 1 A 83 83 ILE CB C 89 39.633 40.993 -1.360 1 1 958 . 17 1 1 A 83 83 ILE N N 89 127.151 122.418 4.733 1 1 959 . 17 1 1 A 84 84 THR H H 90 8.656 8.787 -0.131 1 1 960 . 17 1 1 A 84 84 THR HA H 90 4.203 4.720 -0.517 1 1 965 . 17 1 1 A 84 84 THR C C 90 172.890 174.756 -1.866 1 1 966 . 17 1 1 A 84 84 THR CA C 90 62.641 60.406 2.235 1 1 967 . 17 1 1 A 84 84 THR CB C 90 68.634 68.561 0.073 1 1 969 . 17 1 1 A 84 84 THR N N 90 123.099 119.083 4.016 1 1 970 . 17 1 1 A 85 85 LEU H H 91 8.967 7.710 1.257 1 1 971 . 17 1 1 A 85 85 LEU HA H 91 4.256 4.669 -0.413 1 1 980 . 17 1 1 A 85 85 LEU C C 91 177.371 175.841 1.530 1 1 981 . 17 1 1 A 85 85 LEU CA C 91 55.527 54.179 1.348 1 1 982 . 17 1 1 A 85 85 LEU CB C 91 44.315 43.395 0.920 1 1 984 . 17 1 1 A 85 85 LEU N N 91 125.333 121.910 3.423 1 1 985 . 17 1 1 A 86 86 GLU H H 92 7.503 7.940 -0.437 1 1 986 . 17 1 1 A 86 86 GLU HA H 92 5.026 4.892 0.134 1 1 991 . 17 1 1 A 86 86 GLU C C 92 172.723 176.415 -3.692 1 1 992 . 17 1 1 A 86 86 GLU CA C 92 54.670 55.039 -0.369 1 1 993 . 17 1 1 A 86 86 GLU CB C 92 33.717 31.437 2.280 1 1 995 . 17 1 1 A 86 86 GLU N N 92 116.655 120.060 -3.405 1 1 996 . 17 1 1 A 87 87 SER H H 93 8.954 8.700 0.254 1 1 997 . 17 1 1 A 87 87 SER HA H 93 4.245 5.145 -0.900 1 1 1000 . 17 1 1 A 87 87 SER C C 93 172.763 174.174 -1.411 1 1 1001 . 17 1 1 A 87 87 SER CA C 93 57.328 57.331 -0.003 1 1 1002 . 17 1 1 A 87 87 SER CB C 93 65.493 64.948 0.545 1 1 1003 . 17 1 1 A 87 87 SER N N 93 117.941 118.019 -0.078 1 1 1004 . 17 1 1 A 88 88 GLY H H 94 6.932 8.436 -1.504 1 1 1005 . 17 1 1 A 88 88 GLY HA2 H 94 3.694 4.215 -0.521 1 1 1006 . 17 1 1 A 88 88 GLY HA3 H 94 3.694 4.222 -0.528 1 1 1007 . 17 1 1 A 88 88 GLY C C 94 171.117 171.543 -0.426 1 1 1008 . 17 1 1 A 88 88 GLY CA C 94 46.575 45.900 0.675 1 1 1009 . 17 1 1 A 88 88 GLY N N 94 108.625 107.391 1.234 1 1 1010 . 17 1 1 A 89 89 GLU H H 95 9.669 8.838 0.831 1 1 1011 . 17 1 1 A 89 89 GLU HA H 95 5.642 5.270 0.372 1 1 1016 . 17 1 1 A 89 89 GLU C C 95 173.226 174.492 -1.266 1 1 1017 . 17 1 1 A 89 89 GLU CA C 95 54.786 55.404 -0.618 1 1 1018 . 17 1 1 A 89 89 GLU CB C 95 34.334 33.823 0.511 1 1 1020 . 17 1 1 A 89 89 GLU N N 95 128.231 119.895 8.336 1 1 1021 . 17 1 1 A 90 90 PHE H H 96 10.365 8.961 1.404 1 1 1022 . 17 1 1 A 90 90 PHE HA H 96 5.048 4.808 0.240 1 1 1029 . 17 1 1 A 90 90 PHE C C 96 173.039 173.351 -0.312 1 1 1030 . 17 1 1 A 90 90 PHE CA C 96 54.616 57.591 -2.975 1 1 1031 . 17 1 1 A 90 90 PHE CB C 96 42.090 41.184 0.906 1 1 1032 . 17 1 1 A 90 90 PHE N N 96 131.583 125.660 5.923 1 1 1033 . 17 1 1 A 91 91 GLN H H 97 8.685 8.655 0.030 1 1 1034 . 17 1 1 A 91 91 GLN HA H 97 4.959 4.576 0.383 1 1 1041 . 17 1 1 A 91 91 GLN C C 97 174.151 174.115 0.036 1 1 1042 . 17 1 1 A 91 91 GLN CA C 97 53.174 54.495 -1.321 1 1 1043 . 17 1 1 A 91 91 GLN CB C 97 28.812 28.246 0.566 1 1 1045 . 17 1 1 A 91 91 GLN N N 97 126.465 127.900 -1.435 1 1 1047 . 17 1 1 A 92 92 VAL H H 98 8.675 7.958 0.717 1 1 1048 . 17 1 1 A 92 92 VAL HA H 98 4.569 4.328 0.241 1 1 1056 . 17 1 1 A 92 92 VAL C C 98 173.802 174.785 -0.983 1 1 1057 . 17 1 1 A 92 92 VAL CA C 98 59.715 61.941 -2.226 1 1 1058 . 17 1 1 A 92 92 VAL CB C 98 35.074 32.094 2.980 1 1 1061 . 17 1 1 A 92 92 VAL N N 98 118.841 124.944 -6.103 1 1 1062 . 17 1 1 A 93 93 TYR H H 99 8.896 9.092 -0.196 1 1 1063 . 17 1 1 A 93 93 TYR HA H 99 4.940 5.141 -0.201 1 1 1070 . 17 1 1 A 93 93 TYR C C 99 173.330 173.715 -0.385 1 1 1071 . 17 1 1 A 93 93 TYR CA C 99 56.948 56.358 0.590 1 1 1072 . 17 1 1 A 93 93 TYR CB C 99 40.780 42.414 -1.634 1 1 1073 . 17 1 1 A 93 93 TYR N N 99 127.563 126.432 1.131 1 1 1074 . 17 1 1 A 94 94 LYS H H 100 5.813 8.959 -3.146 1 1 1075 . 17 1 1 A 94 94 LYS HA H 100 4.248 5.130 -0.882 1 1 1082 . 17 1 1 A 94 94 LYS CA C 100 55.660 54.862 0.798 1 1 1083 . 17 1 1 A 94 94 LYS CB C 100 35.870 35.909 -0.039 1 1 1084 . 17 1 1 A 94 94 LYS N N 100 128.378 125.415 2.963 1 1 1085 . 17 1 1 A 95 95 GLN H H 101 8.438 9.154 -0.716 1 1 1086 . 17 1 1 A 95 95 GLN HA H 101 5.028 4.729 0.299 1 1 1091 . 17 1 1 A 95 95 GLN C C 101 174.080 177.058 -2.978 1 1 1092 . 17 1 1 A 95 95 GLN CA C 101 54.043 54.359 -0.316 1 1 1093 . 17 1 1 A 95 95 GLN CB C 101 27.209 30.713 -3.504 1 1 1095 . 17 1 1 A 95 95 GLN N N 101 125.809 126.692 -0.883 1 1 1096 . 17 1 1 A 96 96 SER H H 102 9.057 8.759 0.298 1 1 1097 . 17 1 1 A 96 96 SER HA H 102 3.041 4.250 -1.209 1 1 1100 . 17 1 1 A 96 96 SER CA C 102 62.985 61.092 1.893 1 1 1101 . 17 1 1 A 96 96 SER CB C 102 63.242 63.223 0.019 1 1 1102 . 17 1 1 A 96 96 SER N N 102 117.650 118.663 -1.013 1 1 1103 . 17 1 1 A 97 97 HIS H H 103 10.115 8.412 1.703 1 1 1104 . 17 1 1 A 97 97 HIS HA H 103 4.406 4.873 -0.467 1 1 1109 . 17 1 1 A 97 97 HIS CA C 103 53.809 56.275 -2.466 1 1 1110 . 17 1 1 A 97 97 HIS CB C 103 30.329 31.700 -1.371 1 1 1111 . 17 1 1 A 97 97 HIS N N 103 118.385 117.076 1.309 1 1 1112 . 17 1 1 A 98 98 SER H H 104 7.241 8.063 -0.822 1 1 1113 . 17 1 1 A 98 98 SER HA H 104 4.406 5.261 -0.855 1 1 1116 . 17 1 1 A 98 98 SER CA C 104 56.712 55.705 1.007 1 1 1117 . 17 1 1 A 98 98 SER CB C 104 65.461 66.230 -0.769 1 1 1118 . 17 1 1 A 98 98 SER N N 104 112.298 112.509 -0.211 1 1 1119 . 17 1 1 A 99 99 ALA H H 105 8.418 8.809 -0.391 1 1 1120 . 17 1 1 A 99 99 ALA HA H 105 4.753 5.295 -0.542 1 1 1124 . 17 1 1 A 99 99 ALA C C 105 173.181 175.883 -2.702 1 1 1125 . 17 1 1 A 99 99 ALA CA C 105 51.363 51.554 -0.191 1 1 1126 . 17 1 1 A 99 99 ALA CB C 105 22.271 23.307 -1.036 1 1 1127 . 17 1 1 A 99 99 ALA N N 105 116.790 121.936 -5.146 1 1 1128 . 17 1 1 A 100 100 LEU H H 106 8.376 8.454 -0.078 1 1 1129 . 17 1 1 A 100 100 LEU HA H 106 5.549 5.283 0.266 1 1 1139 . 17 1 1 A 100 100 LEU C C 106 175.338 174.705 0.633 1 1 1140 . 17 1 1 A 100 100 LEU CA C 106 53.753 53.245 0.508 1 1 1141 . 17 1 1 A 100 100 LEU CB C 106 46.393 46.498 -0.105 1 1 1145 . 17 1 1 A 100 100 LEU N N 106 115.214 117.501 -2.287 1 1 1146 . 17 1 1 A 101 101 THR H H 107 8.685 8.605 0.080 1 1 1147 . 17 1 1 A 101 101 THR HA H 107 5.287 4.978 0.309 1 1 1152 . 17 1 1 A 101 101 THR C C 107 172.493 172.530 -0.037 1 1 1153 . 17 1 1 A 101 101 THR CA C 107 57.069 59.729 -2.660 1 1 1154 . 17 1 1 A 101 101 THR CB C 107 71.308 71.750 -0.442 1 1 1156 . 17 1 1 A 101 101 THR N N 107 109.441 115.366 -5.925 1 1 1157 . 17 1 1 A 102 102 ALA H H 108 8.459 8.725 -0.266 1 1 1158 . 17 1 1 A 102 102 ALA HA H 108 4.366 5.263 -0.897 1 1 1162 . 17 1 1 A 102 102 ALA C C 108 173.439 175.552 -2.113 1 1 1163 . 17 1 1 A 102 102 ALA CA C 108 51.015 50.288 0.727 1 1 1164 . 17 1 1 A 102 102 ALA CB C 108 23.424 23.317 0.107 1 1 1165 . 17 1 1 A 102 102 ALA N N 108 120.716 129.396 -8.680 1 1 1166 . 17 1 1 A 103 103 PHE H H 109 8.510 9.190 -0.680 1 1 1167 . 17 1 1 A 103 103 PHE HA H 109 4.715 5.242 -0.527 1 1 1175 . 17 1 1 A 103 103 PHE C C 109 174.173 174.881 -0.708 1 1 1176 . 17 1 1 A 103 103 PHE CA C 109 56.640 56.913 -0.273 1 1 1177 . 17 1 1 A 103 103 PHE CB C 109 41.926 41.630 0.296 1 1 1178 . 17 1 1 A 103 103 PHE N N 109 115.041 120.245 -5.204 1 1 1179 . 17 1 1 A 104 104 GLN H H 110 9.832 8.755 1.077 1 1 1180 . 17 1 1 A 104 104 GLN HA H 110 5.226 5.190 0.036 1 1 1187 . 17 1 1 A 104 104 GLN C C 110 175.186 174.020 1.166 1 1 1188 . 17 1 1 A 104 104 GLN CA C 110 53.213 55.003 -1.790 1 1 1189 . 17 1 1 A 104 104 GLN CB C 110 29.161 33.076 -3.915 1 1 1191 . 17 1 1 A 104 104 GLN N N 110 124.526 120.547 3.979 1 1 1193 . 17 1 1 A 105 105 THR H H 111 9.566 8.620 0.946 1 1 1194 . 17 1 1 A 105 105 THR HA H 111 4.186 4.992 -0.806 1 1 1199 . 17 1 1 A 105 105 THR C C 111 174.538 173.031 1.507 1 1 1200 . 17 1 1 A 105 105 THR CA C 111 66.408 60.202 6.206 1 1 1201 . 17 1 1 A 105 105 THR CB C 111 69.385 69.888 -0.503 1 1 1203 . 17 1 1 A 105 105 THR N N 111 126.760 117.915 8.845 1 1 1204 . 17 1 1 A 106 106 GLU H H 112 9.303 9.112 0.191 1 1 1205 . 17 1 1 A 106 106 GLU HA H 112 4.811 4.783 0.028 1 1 1210 . 17 1 1 A 106 106 GLU C C 112 177.397 176.684 0.713 1 1 1211 . 17 1 1 A 106 106 GLU CA C 112 56.227 56.904 -0.677 1 1 1212 . 17 1 1 A 106 106 GLU CB C 112 31.283 32.420 -1.137 1 1 1214 . 17 1 1 A 106 106 GLU N N 112 121.685 123.565 -1.880 1 1 1215 . 17 1 1 A 107 107 GLN H H 113 7.954 7.920 0.034 1 1 1216 . 17 1 1 A 107 107 GLN HA H 113 5.233 4.971 0.262 1 1 1221 . 17 1 1 A 107 107 GLN C C 113 173.999 174.054 -0.055 1 1 1222 . 17 1 1 A 107 107 GLN CA C 113 53.837 55.311 -1.474 1 1 1223 . 17 1 1 A 107 107 GLN CB C 113 32.543 32.290 0.253 1 1 1225 . 17 1 1 A 107 107 GLN N N 113 117.612 118.907 -1.295 1 1 1226 . 17 1 1 A 108 108 ILE H H 114 8.969 8.406 0.563 1 1 1227 . 17 1 1 A 108 108 ILE HA H 114 4.907 4.970 -0.063 1 1 1237 . 17 1 1 A 108 108 ILE C C 114 174.089 174.201 -0.112 1 1 1238 . 17 1 1 A 108 108 ILE CA C 114 58.954 58.583 0.371 1 1 1239 . 17 1 1 A 108 108 ILE CB C 114 42.799 42.385 0.414 1 1 1243 . 17 1 1 A 108 108 ILE N N 114 115.049 120.099 -5.050 1 1 1244 . 17 1 1 A 109 109 GLN H H 115 7.421 8.767 -1.346 1 1 1245 . 17 1 1 A 109 109 GLN HA H 115 4.405 5.283 -0.878 1 1 1252 . 17 1 1 A 109 109 GLN C C 115 175.654 173.767 1.887 1 1 1253 . 17 1 1 A 109 109 GLN CA C 115 56.086 53.443 2.643 1 1 1254 . 17 1 1 A 109 109 GLN CB C 115 28.483 32.451 -3.968 1 1 1256 . 17 1 1 A 109 109 GLN N N 115 121.959 120.468 1.491 1 1 1258 . 17 1 1 A 110 110 ASP H H 116 8.569 8.948 -0.379 1 1 1259 . 17 1 1 A 110 110 ASP HA H 116 4.377 5.173 -0.796 1 1 1262 . 17 1 1 A 110 110 ASP C C 116 176.662 177.324 -0.662 1 1 1263 . 17 1 1 A 110 110 ASP CA C 116 53.511 53.112 0.399 1 1 1264 . 17 1 1 A 110 110 ASP CB C 116 41.187 43.301 -2.114 1 1 1265 . 17 1 1 A 110 110 ASP N N 116 125.621 121.919 3.702 1 1 1266 . 17 1 1 A 111 111 SER H H 117 8.445 9.032 -0.587 1 1 1267 . 17 1 1 A 111 111 SER HA H 117 4.024 4.491 -0.467 1 1 1270 . 17 1 1 A 111 111 SER C C 117 174.783 176.540 -1.757 1 1 1271 . 17 1 1 A 111 111 SER CA C 117 60.782 60.596 0.186 1 1 1272 . 17 1 1 A 111 111 SER CB C 117 62.560 63.335 -0.775 1 1 1273 . 17 1 1 A 111 111 SER N N 117 120.732 119.278 1.454 1 1 1274 . 17 1 1 A 112 112 GLU H H 118 8.246 9.132 -0.886 1 1 1275 . 17 1 1 A 112 112 GLU HA H 118 4.044 4.192 -0.148 1 1 1280 . 17 1 1 A 112 112 GLU C C 118 175.899 177.014 -1.115 1 1 1281 . 17 1 1 A 112 112 GLU CA C 118 56.016 58.606 -2.590 1 1 1282 . 17 1 1 A 112 112 GLU CB C 118 29.853 28.527 1.326 1 1 1284 . 17 1 1 A 112 112 GLU N N 118 119.367 121.911 -2.544 1 1 1285 . 17 1 1 A 113 113 HIS H H 119 7.418 7.889 -0.471 1 1 1286 . 17 1 1 A 113 113 HIS HA H 119 4.607 4.712 -0.105 1 1 1291 . 17 1 1 A 113 113 HIS C C 119 173.527 174.982 -1.455 1 1 1292 . 17 1 1 A 113 113 HIS CA C 119 54.515 56.018 -1.503 1 1 1293 . 17 1 1 A 113 113 HIS CB C 119 28.667 30.346 -1.679 1 1 1294 . 17 1 1 A 113 113 HIS N N 119 117.287 119.355 -2.068 1 1 1295 . 17 1 1 A 114 114 SER H H 120 8.398 8.152 0.246 1 1 1296 . 17 1 1 A 114 114 SER HA H 120 4.183 4.096 0.087 1 1 1299 . 17 1 1 A 114 114 SER C C 120 175.690 174.639 1.051 1 1 1300 . 17 1 1 A 114 114 SER CA C 120 59.149 59.288 -0.139 1 1 1301 . 17 1 1 A 114 114 SER CB C 120 62.820 62.386 0.434 1 1 1302 . 17 1 1 A 114 114 SER N N 120 116.771 115.132 1.639 1 1 1303 . 17 1 1 A 115 115 GLY H H 121 8.733 8.025 0.708 1 1 1304 . 17 1 1 A 115 115 GLY HA2 H 121 4.052 4.043 0.009 1 1 1305 . 17 1 1 A 115 115 GLY HA3 H 121 3.724 4.058 -0.334 1 1 1306 . 17 1 1 A 115 115 GLY C C 121 173.540 174.177 -0.637 1 1 1307 . 17 1 1 A 115 115 GLY CA C 121 44.692 45.538 -0.846 1 1 1308 . 17 1 1 A 115 115 GLY N N 121 112.197 106.373 5.824 1 1 1309 . 17 1 1 A 116 116 LYS H H 122 7.796 7.690 0.106 1 1 1310 . 17 1 1 A 116 116 LYS HA H 122 4.465 4.908 -0.443 1 1 1317 . 17 1 1 A 116 116 LYS C C 122 175.090 175.368 -0.278 1 1 1318 . 17 1 1 A 116 116 LYS CA C 122 55.122 54.962 0.160 1 1 1319 . 17 1 1 A 116 116 LYS CB C 122 33.861 35.112 -1.251 1 1 1322 . 17 1 1 A 116 116 LYS N N 122 120.212 116.288 3.924 1 1 1323 . 17 1 1 A 117 117 MET H H 123 8.348 9.152 -0.804 1 1 1324 . 17 1 1 A 117 117 MET HA H 123 5.082 5.689 -0.607 1 1 1332 . 17 1 1 A 117 117 MET C C 123 176.210 175.171 1.039 1 1 1333 . 17 1 1 A 117 117 MET CA C 123 52.928 53.120 -0.192 1 1 1334 . 17 1 1 A 117 117 MET CB C 123 33.841 35.632 -1.791 1 1 1337 . 17 1 1 A 117 117 MET N N 123 119.755 121.288 -1.533 1 1 1338 . 17 1 1 A 118 118 VAL H H 124 9.242 8.897 0.345 1 1 1339 . 17 1 1 A 118 118 VAL HA H 124 4.469 4.796 -0.327 1 1 1347 . 17 1 1 A 118 118 VAL C C 124 173.967 174.587 -0.620 1 1 1348 . 17 1 1 A 118 118 VAL CA C 124 59.056 59.462 -0.406 1 1 1349 . 17 1 1 A 118 118 VAL CB C 124 34.376 35.710 -1.334 1 1 1351 . 17 1 1 A 118 118 VAL N N 124 118.546 114.758 3.788 1 1 1352 . 17 1 1 A 119 119 ALA H H 125 8.327 8.510 -0.183 1 1 1353 . 17 1 1 A 119 119 ALA HA H 125 4.624 4.498 0.126 1 1 1357 . 17 1 1 A 119 119 ALA C C 125 177.165 176.656 0.509 1 1 1358 . 17 1 1 A 119 119 ALA CA C 125 52.043 51.577 0.466 1 1 1359 . 17 1 1 A 119 119 ALA CB C 125 18.232 17.581 0.651 1 1 1360 . 17 1 1 A 119 119 ALA N N 125 125.947 124.410 1.537 1 1 1361 . 17 1 1 A 120 120 LYS H H 126 7.604 7.506 0.098 1 1 1362 . 17 1 1 A 120 120 LYS HA H 126 4.046 4.651 -0.605 1 1 1371 . 17 1 1 A 120 120 LYS C C 126 172.631 175.301 -2.670 1 1 1372 . 17 1 1 A 120 120 LYS CA C 126 56.023 55.234 0.789 1 1 1373 . 17 1 1 A 120 120 LYS CB C 126 34.482 31.548 2.934 1 1 1377 . 17 1 1 A 120 120 LYS N N 126 126.149 119.908 6.241 1 1 1378 . 17 1 1 A 121 121 ARG H H 127 8.308 8.597 -0.289 1 1 1379 . 17 1 1 A 121 121 ARG HA H 127 4.901 4.579 0.322 1 1 1384 . 17 1 1 A 121 121 ARG C C 127 176.253 174.732 1.521 1 1 1385 . 17 1 1 A 121 121 ARG CA C 127 55.564 55.241 0.323 1 1 1386 . 17 1 1 A 121 121 ARG CB C 127 28.273 28.627 -0.354 1 1 1388 . 17 1 1 A 121 121 ARG N N 127 122.760 126.222 -3.462 1 1 1389 . 17 1 1 A 122 122 GLN H H 128 7.529 8.622 -1.093 1 1 1390 . 17 1 1 A 122 122 GLN HA H 128 4.541 4.785 -0.244 1 1 1397 . 17 1 1 A 122 122 GLN C C 128 172.163 175.761 -3.598 1 1 1398 . 17 1 1 A 122 122 GLN CA C 128 54.218 55.557 -1.339 1 1 1399 . 17 1 1 A 122 122 GLN CB C 128 32.064 29.314 2.750 1 1 1401 . 17 1 1 A 122 122 GLN N N 128 121.022 123.811 -2.789 1 1 1403 . 17 1 1 A 123 123 PHE H H 129 8.620 9.278 -0.658 1 1 1404 . 17 1 1 A 123 123 PHE HA H 129 6.040 6.082 -0.042 1 1 1411 . 17 1 1 A 123 123 PHE C C 129 174.530 173.826 0.704 1 1 1412 . 17 1 1 A 123 123 PHE CA C 129 56.026 55.392 0.634 1 1 1413 . 17 1 1 A 123 123 PHE CB C 129 42.143 42.812 -0.669 1 1 1414 . 17 1 1 A 123 123 PHE N N 129 125.540 121.888 3.652 1 1 1415 . 17 1 1 A 124 124 ARG H H 130 8.018 8.833 -0.815 1 1 1416 . 17 1 1 A 124 124 ARG HA H 130 4.366 4.869 -0.503 1 1 1423 . 17 1 1 A 124 124 ARG C C 130 172.139 173.871 -1.732 1 1 1424 . 17 1 1 A 124 124 ARG CA C 130 53.422 54.518 -1.096 1 1 1425 . 17 1 1 A 124 124 ARG CB C 130 32.310 33.801 -1.491 1 1 1428 . 17 1 1 A 124 124 ARG N N 130 125.264 118.885 6.379 1 1 1429 . 17 1 1 A 125 125 ILE H H 131 8.462 8.106 0.356 1 1 1430 . 17 1 1 A 125 125 ILE HA H 131 3.883 4.523 -0.640 1 1 1440 . 17 1 1 A 125 125 ILE C C 131 175.487 176.443 -0.956 1 1 1441 . 17 1 1 A 125 125 ILE CA C 131 58.339 60.332 -1.993 1 1 1442 . 17 1 1 A 125 125 ILE CB C 131 35.673 39.606 -3.933 1 1 1446 . 17 1 1 A 125 125 ILE N N 131 121.887 123.468 -1.581 1 1 1447 . 17 1 1 A 126 126 GLY H H 132 8.814 8.400 0.414 1 1 1448 . 17 1 1 A 126 126 GLY HA2 H 132 4.062 4.202 -0.140 1 1 1449 . 17 1 1 A 126 126 GLY HA3 H 132 4.062 4.240 -0.178 1 1 1450 . 17 1 1 A 126 126 GLY C C 132 171.583 173.643 -2.060 1 1 1451 . 17 1 1 A 126 126 GLY CA C 132 44.157 45.530 -1.373 1 1 1452 . 17 1 1 A 126 126 GLY N N 132 115.675 116.372 -0.697 1 1 1453 . 17 1 1 A 127 127 ASP H H 133 7.914 7.471 0.443 1 1 1454 . 17 1 1 A 127 127 ASP HA H 133 4.584 5.337 -0.753 1 1 1457 . 17 1 1 A 127 127 ASP C C 133 174.132 174.238 -0.106 1 1 1458 . 17 1 1 A 127 127 ASP CA C 133 54.822 53.233 1.589 1 1 1459 . 17 1 1 A 127 127 ASP CB C 133 45.407 44.871 0.536 1 1 1460 . 17 1 1 A 127 127 ASP N N 133 123.737 119.814 3.923 1 1 1461 . 17 1 1 A 128 128 ILE H H 134 8.258 8.820 -0.562 1 1 1462 . 17 1 1 A 128 128 ILE HA H 134 4.392 4.811 -0.419 1 1 1472 . 17 1 1 A 128 128 ILE C C 134 174.799 174.703 0.096 1 1 1473 . 17 1 1 A 128 128 ILE CA C 134 61.596 60.892 0.704 1 1 1474 . 17 1 1 A 128 128 ILE CB C 134 37.549 40.277 -2.728 1 1 1478 . 17 1 1 A 128 128 ILE N N 134 119.105 124.565 -5.460 1 1 1479 . 17 1 1 A 129 129 ALA H H 135 8.607 8.810 -0.203 1 1 1480 . 17 1 1 A 129 129 ALA HA H 135 4.757 5.281 -0.524 1 1 1484 . 17 1 1 A 129 129 ALA C C 135 173.358 176.279 -2.921 1 1 1485 . 17 1 1 A 129 129 ALA CA C 135 50.608 50.801 -0.193 1 1 1486 . 17 1 1 A 129 129 ALA CB C 135 23.348 22.680 0.668 1 1 1487 . 17 1 1 A 129 129 ALA N N 135 129.336 131.029 -1.693 1 1 1488 . 17 1 1 A 130 130 GLY H H 136 7.514 8.449 -0.935 1 1 1489 . 17 1 1 A 130 130 GLY HA2 H 136 3.551 4.270 -0.719 1 1 1490 . 17 1 1 A 130 130 GLY HA3 H 136 4.422 4.506 -0.084 1 1 1491 . 17 1 1 A 130 130 GLY C C 136 172.609 172.336 0.273 1 1 1492 . 17 1 1 A 130 130 GLY CA C 136 44.315 44.477 -0.162 1 1 1493 . 17 1 1 A 130 130 GLY N N 136 101.232 107.490 -6.258 1 1 1494 . 17 1 1 A 131 131 GLU H H 137 8.225 8.525 -0.300 1 1 1495 . 17 1 1 A 131 131 GLU HA H 137 4.540 4.425 0.115 1 1 1500 . 17 1 1 A 131 131 GLU C C 137 174.864 176.016 -1.152 1 1 1501 . 17 1 1 A 131 131 GLU CA C 137 53.120 56.187 -3.067 1 1 1502 . 17 1 1 A 131 131 GLU CB C 137 28.254 30.501 -2.247 1 1 1504 . 17 1 1 A 131 131 GLU N N 137 121.002 120.059 0.943 1 1 1505 . 17 1 1 A 132 132 HIS H H 138 8.054 7.986 0.068 1 1 1506 . 17 1 1 A 132 132 HIS HA H 138 4.771 5.212 -0.441 1 1 1511 . 17 1 1 A 132 132 HIS C C 138 175.411 173.150 2.261 1 1 1512 . 17 1 1 A 132 132 HIS CA C 138 57.942 53.644 4.298 1 1 1513 . 17 1 1 A 132 132 HIS CB C 138 27.710 31.588 -3.878 1 1 1514 . 17 1 1 A 132 132 HIS N N 138 124.204 118.498 5.706 1 1 1515 . 17 1 1 A 133 133 THR H H 139 9.056 8.788 0.268 1 1 1516 . 17 1 1 A 133 133 THR HA H 139 3.864 4.824 -0.960 1 1 1521 . 17 1 1 A 133 133 THR C C 139 174.178 172.951 1.227 1 1 1522 . 17 1 1 A 133 133 THR CA C 139 63.225 60.339 2.886 1 1 1523 . 17 1 1 A 133 133 THR CB C 139 68.127 71.209 -3.082 1 1 1525 . 17 1 1 A 133 133 THR N N 139 125.345 116.024 9.321 1 1 1526 . 17 1 1 A 134 134 SER H H 140 8.834 8.802 0.032 1 1 1527 . 17 1 1 A 134 134 SER HA H 140 4.560 4.101 0.459 1 1 1530 . 17 1 1 A 134 134 SER C C 140 176.713 174.151 2.562 1 1 1531 . 17 1 1 A 134 134 SER CA C 140 57.961 58.876 -0.915 1 1 1532 . 17 1 1 A 134 134 SER CB C 140 63.030 61.740 1.290 1 1 1533 . 17 1 1 A 134 134 SER N N 140 121.791 121.460 0.331 1 1 1534 . 17 1 1 A 135 135 PHE H H 141 9.597 8.195 1.402 1 1 1535 . 17 1 1 A 135 135 PHE HA H 141 3.953 4.253 -0.300 1 1 1542 . 17 1 1 A 135 135 PHE C C 141 175.375 177.690 -2.315 1 1 1543 . 17 1 1 A 135 135 PHE CA C 141 61.339 60.560 0.779 1 1 1544 . 17 1 1 A 135 135 PHE CB C 141 39.394 39.218 0.176 1 1 1545 . 17 1 1 A 135 135 PHE N N 141 128.822 120.319 8.503 1 1 1546 . 17 1 1 A 136 136 ASP H H 142 8.017 8.305 -0.288 1 1 1547 . 17 1 1 A 136 136 ASP HA H 142 4.352 4.572 -0.220 1 1 1550 . 17 1 1 A 136 136 ASP C C 142 175.358 176.828 -1.470 1 1 1551 . 17 1 1 A 136 136 ASP CA C 142 55.223 55.826 -0.603 1 1 1552 . 17 1 1 A 136 136 ASP CB C 142 40.968 40.060 0.908 1 1 1553 . 17 1 1 A 136 136 ASP N N 142 113.108 118.909 -5.801 1 1 1554 . 17 1 1 A 137 137 LYS H H 143 7.340 7.651 -0.311 1 1 1555 . 17 1 1 A 137 137 LYS HA H 143 4.439 4.459 -0.020 1 1 1564 . 17 1 1 A 137 137 LYS C C 143 175.571 176.243 -0.672 1 1 1565 . 17 1 1 A 137 137 LYS CA C 143 54.096 55.763 -1.667 1 1 1566 . 17 1 1 A 137 137 LYS CB C 143 32.545 33.658 -1.113 1 1 1570 . 17 1 1 A 137 137 LYS N N 143 117.716 118.097 -0.381 1 1 1571 . 17 1 1 A 138 138 LEU H H 144 6.698 6.988 -0.290 1 1 1572 . 17 1 1 A 138 138 LEU HA H 144 3.903 4.351 -0.448 1 1 1582 . 17 1 1 A 138 138 LEU C C 144 174.123 175.328 -1.205 1 1 1583 . 17 1 1 A 138 138 LEU CA C 144 52.843 53.040 -0.197 1 1 1584 . 17 1 1 A 138 138 LEU CB C 144 40.993 42.443 -1.450 1 1 1588 . 17 1 1 A 138 138 LEU N N 144 120.536 121.829 -1.293 1 1 1589 . 17 1 1 A 139 139 PRO HA H 145 4.040 4.797 -0.757 1 1 1596 . 17 1 1 A 139 139 PRO C C 145 172.700 176.665 -3.965 1 1 1597 . 17 1 1 A 139 139 PRO CA C 145 62.654 62.327 0.327 1 1 1598 . 17 1 1 A 139 139 PRO CB C 145 30.086 32.817 -2.731 1 1 1601 . 17 1 1 A 140 140 GLU H H 146 8.343 9.036 -0.693 1 1 1602 . 17 1 1 A 140 140 GLU HA H 146 3.970 4.707 -0.737 1 1 1607 . 17 1 1 A 140 140 GLU C C 146 176.009 177.197 -1.188 1 1 1608 . 17 1 1 A 140 140 GLU CA C 146 56.119 56.424 -0.305 1 1 1609 . 17 1 1 A 140 140 GLU CB C 146 30.086 30.416 -0.330 1 1 1611 . 17 1 1 A 140 140 GLU N N 146 119.063 120.050 -0.987 1 1 1612 . 17 1 1 A 141 141 GLY H H 147 7.241 8.564 -1.323 1 1 1613 . 17 1 1 A 141 141 GLY HA2 H 147 3.918 3.802 0.116 1 1 1614 . 17 1 1 A 141 141 GLY HA3 H 147 3.814 3.805 0.009 1 1 1615 . 17 1 1 A 141 141 GLY C C 147 171.657 174.682 -3.025 1 1 1616 . 17 1 1 A 141 141 GLY CA C 147 43.929 47.047 -3.118 1 1 1617 . 17 1 1 A 141 141 GLY N N 147 104.270 109.545 -5.275 1 1 1618 . 17 1 1 A 142 142 GLY H H 148 8.241 7.684 0.557 1 1 1619 . 17 1 1 A 142 142 GLY HA2 H 148 3.710 4.044 -0.334 1 1 1620 . 17 1 1 A 142 142 GLY HA3 H 148 4.350 4.076 0.274 1 1 1621 . 17 1 1 A 142 142 GLY C C 148 171.767 172.538 -0.771 1 1 1622 . 17 1 1 A 142 142 GLY CA C 148 43.649 45.033 -1.384 1 1 1623 . 17 1 1 A 142 142 GLY N N 148 106.996 105.530 1.466 1 1 1624 . 17 1 1 A 143 143 ARG H H 149 8.214 8.673 -0.459 1 1 1625 . 17 1 1 A 143 143 ARG HA H 149 5.376 5.187 0.189 1 1 1632 . 17 1 1 A 143 143 ARG C C 149 174.981 173.799 1.182 1 1 1633 . 17 1 1 A 143 143 ARG CA C 149 54.235 53.788 0.447 1 1 1634 . 17 1 1 A 143 143 ARG CB C 149 32.988 34.017 -1.029 1 1 1637 . 17 1 1 A 143 143 ARG N N 149 117.762 120.366 -2.604 1 1 1638 . 17 1 1 A 144 144 ALA H H 150 9.030 8.806 0.224 1 1 1639 . 17 1 1 A 144 144 ALA HA H 150 4.730 4.747 -0.017 1 1 1643 . 17 1 1 A 144 144 ALA C C 150 175.012 176.014 -1.002 1 1 1644 . 17 1 1 A 144 144 ALA CA C 150 50.732 50.151 0.581 1 1 1645 . 17 1 1 A 144 144 ALA CB C 150 23.448 20.375 3.073 1 1 1646 . 17 1 1 A 144 144 ALA N N 150 126.630 122.149 4.481 1 1 1647 . 17 1 1 A 145 145 THR H H 151 8.560 8.533 0.027 1 1 1648 . 17 1 1 A 145 145 THR HA H 151 4.846 4.647 0.199 1 1 1653 . 17 1 1 A 145 145 THR C C 151 171.870 173.259 -1.389 1 1 1654 . 17 1 1 A 145 145 THR CA C 151 61.997 62.426 -0.429 1 1 1655 . 17 1 1 A 145 145 THR CB C 151 69.746 69.845 -0.099 1 1 1657 . 17 1 1 A 145 145 THR N N 151 117.942 118.257 -0.315 1 1 1658 . 17 1 1 A 146 146 TYR H H 152 10.008 9.085 0.923 1 1 1659 . 17 1 1 A 146 146 TYR HA H 152 4.580 5.163 -0.583 1 1 1666 . 17 1 1 A 146 146 TYR C C 152 174.627 174.393 0.234 1 1 1667 . 17 1 1 A 146 146 TYR CA C 152 55.835 56.318 -0.483 1 1 1668 . 17 1 1 A 146 146 TYR CB C 152 40.094 43.317 -3.223 1 1 1669 . 17 1 1 A 146 146 TYR N N 152 126.097 123.427 2.670 1 1 1670 . 17 1 1 A 147 147 ARG H H 153 8.860 8.903 -0.043 1 1 1671 . 17 1 1 A 147 147 ARG HA H 153 5.404 5.310 0.094 1 1 1678 . 17 1 1 A 147 147 ARG C C 153 177.446 175.353 2.093 1 1 1679 . 17 1 1 A 147 147 ARG CA C 153 54.024 54.759 -0.735 1 1 1680 . 17 1 1 A 147 147 ARG CB C 153 33.539 33.964 -0.425 1 1 1683 . 17 1 1 A 147 147 ARG N N 153 121.042 122.306 -1.264 1 1 1684 . 17 1 1 A 148 148 GLY H H 154 8.916 8.760 0.156 1 1 1685 . 17 1 1 A 148 148 GLY HA2 H 154 4.816 4.342 0.474 1 1 1686 . 17 1 1 A 148 148 GLY HA3 H 154 4.422 4.367 0.055 1 1 1687 . 17 1 1 A 148 148 GLY C C 154 173.831 171.744 2.087 1 1 1688 . 17 1 1 A 148 148 GLY CA C 154 46.752 45.211 1.541 1 1 1689 . 17 1 1 A 148 148 GLY N N 154 114.154 112.107 2.047 1 1 1690 . 17 1 1 A 149 149 THR H H 155 9.063 8.898 0.165 1 1 1691 . 17 1 1 A 149 149 THR HA H 155 4.711 4.934 -0.223 1 1 1696 . 17 1 1 A 149 149 THR C C 155 170.370 174.065 -3.695 1 1 1697 . 17 1 1 A 149 149 THR CA C 155 62.316 61.851 0.465 1 1 1698 . 17 1 1 A 149 149 THR CB C 155 72.596 70.444 2.152 1 1 1700 . 17 1 1 A 149 149 THR N N 155 126.410 115.712 10.698 1 1 1701 . 17 1 1 A 150 150 ALA H H 156 7.091 9.081 -1.990 1 1 1702 . 17 1 1 A 150 150 ALA HA H 156 5.289 5.384 -0.095 1 1 1706 . 17 1 1 A 150 150 ALA C C 156 173.965 176.686 -2.721 1 1 1707 . 17 1 1 A 150 150 ALA CA C 156 48.843 50.352 -1.509 1 1 1708 . 17 1 1 A 150 150 ALA CB C 156 22.573 21.514 1.059 1 1 1709 . 17 1 1 A 150 150 ALA N N 156 127.540 128.872 -1.332 1 1 1710 . 17 1 1 A 151 151 PHE H H 157 8.536 8.050 0.486 1 1 1711 . 17 1 1 A 151 151 PHE HA H 157 5.442 5.661 -0.219 1 1 1718 . 17 1 1 A 151 151 PHE C C 157 171.891 173.673 -1.782 1 1 1719 . 17 1 1 A 151 151 PHE CA C 157 53.282 55.439 -2.157 1 1 1720 . 17 1 1 A 151 151 PHE CB C 157 41.020 41.875 -0.855 1 1 1721 . 17 1 1 A 151 151 PHE N N 157 117.013 116.669 0.344 1 1 1722 . 17 1 1 A 152 152 GLY H H 158 8.548 8.745 -0.197 1 1 1723 . 17 1 1 A 152 152 GLY HA2 H 158 4.003 4.422 -0.419 1 1 1724 . 17 1 1 A 152 152 GLY HA3 H 158 3.124 4.441 -1.317 1 1 1725 . 17 1 1 A 152 152 GLY C C 158 173.148 175.002 -1.854 1 1 1726 . 17 1 1 A 152 152 GLY CA C 158 42.630 45.173 -2.543 1 1 1727 . 17 1 1 A 152 152 GLY N N 158 108.356 108.162 0.194 1 1 1728 . 17 1 1 A 153 153 SER H H 159 7.610 8.919 -1.309 1 1 1729 . 17 1 1 A 153 153 SER HA H 159 3.421 3.863 -0.442 1 1 1732 . 17 1 1 A 153 153 SER C C 159 176.057 174.999 1.058 1 1 1733 . 17 1 1 A 153 153 SER CA C 159 58.787 61.078 -2.291 1 1 1734 . 17 1 1 A 153 153 SER CB C 159 61.886 62.055 -0.169 1 1 1735 . 17 1 1 A 153 153 SER N N 159 115.173 115.777 -0.604 1 1 1736 . 17 1 1 A 154 154 ASP H H 160 9.894 8.049 1.845 1 1 1737 . 17 1 1 A 154 154 ASP HA H 160 4.168 4.857 -0.689 1 1 1740 . 17 1 1 A 154 154 ASP C C 160 175.191 176.498 -1.307 1 1 1741 . 17 1 1 A 154 154 ASP CA C 160 55.398 52.789 2.609 1 1 1742 . 17 1 1 A 154 154 ASP CB C 160 39.212 41.727 -2.515 1 1 1743 . 17 1 1 A 154 154 ASP N N 160 124.828 119.298 5.530 1 1 1744 . 17 1 1 A 155 155 ASP H H 161 7.520 8.133 -0.613 1 1 1745 . 17 1 1 A 155 155 ASP HA H 161 4.568 4.939 -0.371 1 1 1748 . 17 1 1 A 155 155 ASP C C 161 172.658 176.937 -4.279 1 1 1749 . 17 1 1 A 155 155 ASP CA C 161 54.342 54.453 -0.111 1 1 1750 . 17 1 1 A 155 155 ASP CB C 161 40.619 43.718 -3.099 1 1 1751 . 17 1 1 A 155 155 ASP N N 161 116.749 122.014 -5.265 1 1 1752 . 17 1 1 A 156 156 ALA H H 162 8.544 7.782 0.762 1 1 1753 . 17 1 1 A 156 156 ALA HA H 162 4.916 4.460 0.456 1 1 1757 . 17 1 1 A 156 156 ALA C C 162 177.708 179.277 -1.569 1 1 1758 . 17 1 1 A 156 156 ALA CA C 162 49.878 54.185 -4.307 1 1 1759 . 17 1 1 A 156 156 ALA CB C 162 17.473 18.370 -0.897 1 1 1760 . 17 1 1 A 156 156 ALA N N 162 128.246 122.398 5.848 1 1 1761 . 17 1 1 A 157 157 GLY H H 163 8.406 8.366 0.040 1 1 1762 . 17 1 1 A 157 157 GLY HA2 H 163 4.286 3.946 0.340 1 1 1763 . 17 1 1 A 157 157 GLY HA3 H 163 3.894 3.968 -0.074 1 1 1764 . 17 1 1 A 157 157 GLY C C 163 174.344 174.940 -0.596 1 1 1765 . 17 1 1 A 157 157 GLY CA C 163 45.049 46.733 -1.684 1 1 1766 . 17 1 1 A 157 157 GLY N N 163 106.545 107.246 -0.701 1 1 1767 . 17 1 1 A 158 158 GLY H H 164 7.128 7.928 -0.800 1 1 1768 . 17 1 1 A 158 158 GLY HA2 H 164 4.118 3.994 0.124 1 1 1769 . 17 1 1 A 158 158 GLY HA3 H 164 3.641 3.999 -0.358 1 1 1770 . 17 1 1 A 158 158 GLY C C 164 173.903 172.835 1.068 1 1 1771 . 17 1 1 A 158 158 GLY CA C 164 45.225 45.276 -0.051 1 1 1772 . 17 1 1 A 158 158 GLY N N 164 106.404 107.339 -0.935 1 1 1773 . 17 1 1 A 159 159 LYS H H 165 9.647 8.443 1.204 1 1 1774 . 17 1 1 A 159 159 LYS HA H 165 5.052 4.935 0.117 1 1 1781 . 17 1 1 A 159 159 LYS C C 165 174.390 175.974 -1.584 1 1 1782 . 17 1 1 A 159 159 LYS CA C 165 53.501 54.440 -0.939 1 1 1783 . 17 1 1 A 159 159 LYS CB C 165 34.622 35.849 -1.227 1 1 1786 . 17 1 1 A 159 159 LYS N N 165 123.930 122.531 1.399 1 1 1787 . 17 1 1 A 160 160 LEU H H 166 7.706 8.865 -1.159 1 1 1788 . 17 1 1 A 160 160 LEU HA H 166 4.873 5.393 -0.520 1 1 1798 . 17 1 1 A 160 160 LEU C C 166 174.825 175.401 -0.576 1 1 1799 . 17 1 1 A 160 160 LEU CA C 166 52.677 52.838 -0.161 1 1 1800 . 17 1 1 A 160 160 LEU CB C 166 44.629 46.317 -1.688 1 1 1804 . 17 1 1 A 160 160 LEU N N 166 126.271 118.802 7.469 1 1 1805 . 17 1 1 A 161 161 THR H H 167 8.374 8.817 -0.443 1 1 1806 . 17 1 1 A 161 161 THR HA H 167 4.949 5.263 -0.314 1 1 1811 . 17 1 1 A 161 161 THR C C 167 172.102 172.970 -0.868 1 1 1812 . 17 1 1 A 161 161 THR CA C 167 61.761 61.811 -0.050 1 1 1813 . 17 1 1 A 161 161 THR CB C 167 70.169 70.956 -0.787 1 1 1815 . 17 1 1 A 161 161 THR N N 167 122.977 115.643 7.334 1 1 1816 . 17 1 1 A 162 162 TYR H H 168 9.174 9.114 0.060 1 1 1817 . 17 1 1 A 162 162 TYR HA H 168 4.766 5.525 -0.759 1 1 1824 . 17 1 1 A 162 162 TYR C C 168 172.249 173.717 -1.468 1 1 1825 . 17 1 1 A 162 162 TYR CA C 168 58.162 56.888 1.274 1 1 1826 . 17 1 1 A 162 162 TYR CB C 168 43.746 42.648 1.098 1 1 1827 . 17 1 1 A 162 162 TYR N N 168 128.112 127.139 0.973 1 1 1828 . 17 1 1 A 163 163 THR H H 169 8.711 8.364 0.347 1 1 1829 . 17 1 1 A 163 163 THR HA H 169 5.402 5.305 0.097 1 1 1834 . 17 1 1 A 163 163 THR C C 169 172.520 171.672 0.848 1 1 1835 . 17 1 1 A 163 163 THR CA C 169 60.804 59.901 0.903 1 1 1836 . 17 1 1 A 163 163 THR CB C 169 70.818 71.685 -0.867 1 1 1838 . 17 1 1 A 163 163 THR N N 169 124.549 120.372 4.177 1 1 1839 . 17 1 1 A 164 164 ILE H H 170 8.927 9.176 -0.249 1 1 1840 . 17 1 1 A 164 164 ILE HA H 170 4.313 5.052 -0.739 1 1 1850 . 17 1 1 A 164 164 ILE C C 170 173.105 174.190 -1.085 1 1 1851 . 17 1 1 A 164 164 ILE CA C 170 60.595 59.971 0.624 1 1 1852 . 17 1 1 A 164 164 ILE CB C 170 41.274 41.207 0.067 1 1 1856 . 17 1 1 A 164 164 ILE N N 170 123.685 127.976 -4.291 1 1 1857 . 17 1 1 A 165 165 ASP H H 171 8.372 9.242 -0.870 1 1 1858 . 17 1 1 A 165 165 ASP HA H 171 4.750 4.875 -0.125 1 1 1861 . 17 1 1 A 165 165 ASP C C 171 177.213 176.234 0.979 1 1 1862 . 17 1 1 A 165 165 ASP CA C 171 51.669 53.878 -2.209 1 1 1863 . 17 1 1 A 165 165 ASP CB C 171 41.730 39.000 2.730 1 1 1864 . 17 1 1 A 165 165 ASP N N 171 125.168 129.706 -4.538 1 1 1865 . 17 1 1 A 166 166 PHE H H 172 8.968 7.975 0.993 1 1 1866 . 17 1 1 A 166 166 PHE HA H 172 3.879 4.214 -0.335 1 1 1874 . 17 1 1 A 166 166 PHE C C 172 176.940 178.323 -1.383 1 1 1875 . 17 1 1 A 166 166 PHE CA C 172 61.543 60.397 1.146 1 1 1876 . 17 1 1 A 166 166 PHE CB C 172 37.424 38.611 -1.187 1 1 1877 . 17 1 1 A 166 166 PHE N N 172 123.597 121.844 1.753 1 1 1878 . 17 1 1 A 167 167 ALA H H 173 8.266 8.303 -0.037 1 1 1879 . 17 1 1 A 167 167 ALA HA H 173 4.322 4.205 0.117 1 1 1883 . 17 1 1 A 167 167 ALA C C 173 178.888 178.069 0.819 1 1 1884 . 17 1 1 A 167 167 ALA CA C 173 54.458 54.247 0.211 1 1 1885 . 17 1 1 A 167 167 ALA CB C 173 17.591 18.417 -0.826 1 1 1886 . 17 1 1 A 167 167 ALA N N 173 122.113 121.777 0.336 1 1 1887 . 17 1 1 A 168 168 ALA H H 174 7.405 7.899 -0.494 1 1 1888 . 17 1 1 A 168 168 ALA HA H 174 4.096 4.394 -0.298 1 1 1892 . 17 1 1 A 168 168 ALA C C 174 176.605 176.776 -0.171 1 1 1893 . 17 1 1 A 168 168 ALA CA C 174 51.225 51.406 -0.181 1 1 1894 . 17 1 1 A 168 168 ALA CB C 174 18.307 19.552 -1.245 1 1 1895 . 17 1 1 A 168 168 ALA N N 174 118.760 120.213 -1.453 1 1 1896 . 17 1 1 A 169 169 LYS H H 175 7.906 7.803 0.103 1 1 1897 . 17 1 1 A 169 169 LYS HA H 175 3.391 3.894 -0.503 1 1 1904 . 17 1 1 A 169 169 LYS C C 175 174.608 174.827 -0.219 1 1 1905 . 17 1 1 A 169 169 LYS CA C 175 57.049 57.363 -0.314 1 1 1906 . 17 1 1 A 169 169 LYS CB C 175 30.051 29.405 0.646 1 1 1909 . 17 1 1 A 169 169 LYS N N 175 114.394 115.298 -0.904 1 1 1910 . 17 1 1 A 170 170 GLN H H 176 7.629 7.268 0.361 1 1 1911 . 17 1 1 A 170 170 GLN HA H 176 5.414 4.813 0.601 1 1 1918 . 17 1 1 A 170 170 GLN C C 176 174.325 174.670 -0.345 1 1 1919 . 17 1 1 A 170 170 GLN CA C 176 54.393 54.396 -0.003 1 1 1920 . 17 1 1 A 170 170 GLN CB C 176 34.771 31.060 3.711 1 1 1922 . 17 1 1 A 170 170 GLN N N 176 116.433 116.802 -0.369 1 1 1924 . 17 1 1 A 171 171 GLY H H 177 8.854 9.532 -0.678 1 1 1925 . 17 1 1 A 171 171 GLY HA2 H 177 5.205 4.099 1.106 1 1 1926 . 17 1 1 A 171 171 GLY HA3 H 177 3.526 4.324 -0.798 1 1 1927 . 17 1 1 A 171 171 GLY C C 177 170.842 172.015 -1.173 1 1 1928 . 17 1 1 A 171 171 GLY CA C 177 44.621 45.043 -0.422 1 1 1929 . 17 1 1 A 171 171 GLY N N 177 110.189 113.026 -2.837 1 1 1930 . 17 1 1 A 172 172 ASN H H 178 7.637 8.873 -1.236 1 1 1931 . 17 1 1 A 172 172 ASN HA H 178 4.224 5.527 -1.303 1 1 1936 . 17 1 1 A 172 172 ASN C C 178 171.546 173.766 -2.220 1 1 1937 . 17 1 1 A 172 172 ASN CA C 178 53.729 51.185 2.544 1 1 1938 . 17 1 1 A 172 172 ASN CB C 178 41.543 42.514 -0.971 1 1 1939 . 17 1 1 A 172 172 ASN N N 178 112.667 121.942 -9.275 1 1 1941 . 17 1 1 A 173 173 GLY H H 179 9.103 8.408 0.695 1 1 1942 . 17 1 1 A 173 173 GLY HA2 H 179 4.491 4.285 0.206 1 1 1943 . 17 1 1 A 173 173 GLY HA3 H 179 4.084 4.348 -0.264 1 1 1944 . 17 1 1 A 173 173 GLY C C 179 172.400 171.659 0.741 1 1 1945 . 17 1 1 A 173 173 GLY CA C 179 47.199 46.013 1.186 1 1 1946 . 17 1 1 A 173 173 GLY N N 179 106.686 108.359 -1.673 1 1 1947 . 17 1 1 A 174 174 LYS H H 180 9.179 8.536 0.643 1 1 1948 . 17 1 1 A 174 174 LYS HA H 180 4.821 5.052 -0.231 1 1 1957 . 17 1 1 A 174 174 LYS C C 180 172.518 174.648 -2.130 1 1 1958 . 17 1 1 A 174 174 LYS CA C 180 56.617 55.179 1.438 1 1 1959 . 17 1 1 A 174 174 LYS CB C 180 35.373 35.648 -0.275 1 1 1963 . 17 1 1 A 174 174 LYS N N 180 121.816 116.655 5.161 1 1 1964 . 17 1 1 A 175 175 ILE H H 181 8.351 8.209 0.142 1 1 1965 . 17 1 1 A 175 175 ILE HA H 181 4.581 4.775 -0.194 1 1 1973 . 17 1 1 A 175 175 ILE C C 181 173.997 175.368 -1.371 1 1 1974 . 17 1 1 A 175 175 ILE CA C 181 60.490 59.616 0.874 1 1 1975 . 17 1 1 A 175 175 ILE CB C 181 39.573 38.717 0.856 1 1 1978 . 17 1 1 A 175 175 ILE N N 181 123.400 122.817 0.583 1 1 1979 . 17 1 1 A 176 176 GLU H H 182 8.492 8.592 -0.100 1 1 1980 . 17 1 1 A 176 176 GLU HA H 182 4.471 4.868 -0.397 1 1 1985 . 17 1 1 A 176 176 GLU C C 182 175.392 175.519 -0.127 1 1 1986 . 17 1 1 A 176 176 GLU CA C 182 53.410 56.010 -2.600 1 1 1987 . 17 1 1 A 176 176 GLU CB C 182 35.479 33.161 2.318 1 1 1989 . 17 1 1 A 176 176 GLU N N 182 122.287 124.620 -2.333 1 1 1990 . 17 1 1 A 177 177 HIS H H 183 8.431 8.491 -0.060 1 1 1991 . 17 1 1 A 177 177 HIS HA H 183 3.975 4.644 -0.669 1 1 1996 . 17 1 1 A 177 177 HIS C C 183 176.008 175.073 0.935 1 1 1997 . 17 1 1 A 177 177 HIS CA C 183 57.533 55.886 1.647 1 1 1998 . 17 1 1 A 177 177 HIS CB C 183 27.362 32.769 -5.407 1 1 1999 . 17 1 1 A 177 177 HIS N N 183 109.605 124.352 -14.747 1 1 2000 . 17 1 1 A 178 178 LEU H H 184 9.603 7.640 1.963 1 1 2001 . 17 1 1 A 178 178 LEU HA H 184 4.276 4.260 0.016 1 1 2011 . 17 1 1 A 178 178 LEU C C 184 178.805 178.091 0.714 1 1 2012 . 17 1 1 A 178 178 LEU CA C 184 56.034 54.843 1.191 1 1 2013 . 17 1 1 A 178 178 LEU CB C 184 39.882 42.170 -2.288 1 1 2017 . 17 1 1 A 178 178 LEU N N 184 124.374 121.239 3.135 1 1 2018 . 17 1 1 A 179 179 LYS H H 185 10.002 8.767 1.235 1 1 2019 . 17 1 1 A 179 179 LYS HA H 185 3.682 4.080 -0.398 1 1 2028 . 17 1 1 A 179 179 LYS C C 185 177.660 176.498 1.162 1 1 2029 . 17 1 1 A 179 179 LYS CA C 185 57.721 58.822 -1.101 1 1 2030 . 17 1 1 A 179 179 LYS CB C 185 31.949 32.135 -0.186 1 1 2034 . 17 1 1 A 179 179 LYS N N 185 122.880 121.230 1.650 1 1 2035 . 17 1 1 A 180 180 SER H H 186 7.262 7.725 -0.463 1 1 2036 . 17 1 1 A 180 180 SER HA H 186 4.672 4.988 -0.316 1 1 2039 . 17 1 1 A 180 180 SER C C 186 173.086 173.528 -0.442 1 1 2040 . 17 1 1 A 180 180 SER CA C 186 54.576 55.318 -0.742 1 1 2041 . 17 1 1 A 180 180 SER CB C 186 62.715 65.401 -2.686 1 1 2042 . 17 1 1 A 180 180 SER N N 186 115.187 112.237 2.950 1 1 2043 . 17 1 1 A 181 181 PRO HA H 187 3.956 4.670 -0.714 1 1 2050 . 17 1 1 A 181 181 PRO CA C 187 65.359 64.646 0.713 1 1 2051 . 17 1 1 A 181 181 PRO CB C 187 32.061 32.050 0.011 1 1 2054 . 17 1 1 A 182 182 GLU H H 188 8.076 8.398 -0.322 1 1 2055 . 17 1 1 A 182 182 GLU HA H 188 3.011 4.205 -1.194 1 1 2060 . 17 1 1 A 182 182 GLU C C 188 173.944 177.459 -3.515 1 1 2061 . 17 1 1 A 182 182 GLU CA C 188 56.597 58.525 -1.928 1 1 2062 . 17 1 1 A 182 182 GLU CB C 188 29.581 29.400 0.181 1 1 2064 . 17 1 1 A 182 182 GLU N N 188 113.034 117.855 -4.821 1 1 2065 . 17 1 1 A 183 183 LEU H H 189 7.126 7.361 -0.235 1 1 2066 . 17 1 1 A 183 183 LEU HA H 189 3.970 4.344 -0.374 1 1 2076 . 17 1 1 A 183 183 LEU C C 189 175.597 176.609 -1.012 1 1 2077 . 17 1 1 A 183 183 LEU CA C 189 53.849 54.163 -0.314 1 1 2078 . 17 1 1 A 183 183 LEU CB C 189 41.152 42.123 -0.971 1 1 2082 . 17 1 1 A 183 183 LEU N N 189 112.896 118.761 -5.865 1 1 2083 . 17 1 1 A 184 184 ASN H H 190 6.952 7.970 -1.018 1 1 2084 . 17 1 1 A 184 184 ASN HA H 190 4.596 4.885 -0.289 1 1 2089 . 17 1 1 A 184 184 ASN C C 190 175.694 174.757 0.937 1 1 2090 . 17 1 1 A 184 184 ASN CA C 190 53.200 52.863 0.337 1 1 2091 . 17 1 1 A 184 184 ASN CB C 190 36.466 39.837 -3.371 1 1 2092 . 17 1 1 A 184 184 ASN N N 190 117.865 117.483 0.382 1 1 2094 . 17 1 1 A 185 185 VAL H H 191 7.178 8.687 -1.509 1 1 2095 . 17 1 1 A 185 185 VAL HA H 191 4.480 4.988 -0.508 1 1 2103 . 17 1 1 A 185 185 VAL C C 191 174.874 174.716 0.158 1 1 2104 . 17 1 1 A 185 185 VAL CA C 191 59.753 58.679 1.074 1 1 2105 . 17 1 1 A 185 185 VAL CB C 191 33.035 35.529 -2.494 1 1 2108 . 17 1 1 A 185 185 VAL N N 191 113.276 117.697 -4.421 1 1 2109 . 17 1 1 A 186 186 ASP H H 192 8.827 8.537 0.290 1 1 2110 . 17 1 1 A 186 186 ASP HA H 192 4.779 4.816 -0.037 1 1 2113 . 17 1 1 A 186 186 ASP C C 192 174.919 175.330 -0.411 1 1 2114 . 17 1 1 A 186 186 ASP CA C 192 54.058 54.679 -0.621 1 1 2115 . 17 1 1 A 186 186 ASP CB C 192 41.635 41.636 -0.001 1 1 2116 . 17 1 1 A 186 186 ASP N N 192 118.111 121.583 -3.472 1 1 2117 . 17 1 1 A 187 187 LEU H H 193 8.375 8.719 -0.344 1 1 2118 . 17 1 1 A 187 187 LEU HA H 193 4.146 5.246 -1.100 1 1 2127 . 17 1 1 A 187 187 LEU CA C 193 52.331 53.421 -1.090 1 1 2128 . 17 1 1 A 187 187 LEU CB C 193 38.187 45.323 -7.136 1 1 2131 . 17 1 1 A 187 187 LEU N N 193 123.130 124.592 -1.462 1 1 2132 . 17 1 1 A 188 188 ALA H H 194 8.225 8.635 -0.410 1 1 2133 . 17 1 1 A 188 188 ALA HA H 194 4.098 4.572 -0.474 1 1 2137 . 17 1 1 A 188 188 ALA C C 194 176.239 177.004 -0.765 1 1 2138 . 17 1 1 A 188 188 ALA CA C 194 52.498 51.817 0.681 1 1 2139 . 17 1 1 A 188 188 ALA CB C 194 20.030 19.148 0.882 1 1 2140 . 17 1 1 A 188 188 ALA N N 194 126.289 129.143 -2.854 1 1 2141 . 17 1 1 A 189 189 ALA H H 195 8.275 8.346 -0.071 1 1 2142 . 17 1 1 A 189 189 ALA HA H 195 4.862 4.416 0.446 1 1 2146 . 17 1 1 A 189 189 ALA C C 195 178.131 177.796 0.335 1 1 2147 . 17 1 1 A 189 189 ALA CA C 195 51.822 53.200 -1.378 1 1 2148 . 17 1 1 A 189 189 ALA CB C 195 17.367 19.059 -1.692 1 1 2149 . 17 1 1 A 189 189 ALA N N 195 122.010 125.944 -3.934 1 1 2150 . 17 1 1 A 190 190 ALA H H 196 8.823 8.938 -0.115 1 1 2151 . 17 1 1 A 190 190 ALA HA H 196 4.634 5.077 -0.443 1 1 2155 . 17 1 1 A 190 190 ALA C C 196 175.141 175.994 -0.853 1 1 2156 . 17 1 1 A 190 190 ALA CA C 196 50.420 50.973 -0.553 1 1 2157 . 17 1 1 A 190 190 ALA CB C 196 23.461 23.136 0.325 1 1 2158 . 17 1 1 A 190 190 ALA N N 196 126.018 124.859 1.159 1 1 2159 . 17 1 1 A 191 191 ASP H H 197 8.365 8.594 -0.229 1 1 2160 . 17 1 1 A 191 191 ASP HA H 197 5.160 5.017 0.143 1 1 2163 . 17 1 1 A 191 191 ASP C C 197 176.028 176.039 -0.011 1 1 2164 . 17 1 1 A 191 191 ASP CA C 197 54.034 52.511 1.523 1 1 2165 . 17 1 1 A 191 191 ASP CB C 197 41.691 41.289 0.402 1 1 2166 . 17 1 1 A 191 191 ASP N N 197 118.646 121.147 -2.501 1 1 2167 . 17 1 1 A 192 192 ILE H H 198 7.915 8.401 -0.486 1 1 2168 . 17 1 1 A 192 192 ILE HA H 198 4.315 4.073 0.242 1 1 2178 . 17 1 1 A 192 192 ILE C C 198 174.684 175.824 -1.140 1 1 2179 . 17 1 1 A 192 192 ILE CA C 198 60.951 61.797 -0.846 1 1 2180 . 17 1 1 A 192 192 ILE CB C 198 41.989 38.036 3.953 1 1 2184 . 17 1 1 A 192 192 ILE N N 198 119.664 120.795 -1.131 1 1 2185 . 17 1 1 A 193 193 LYS H H 199 9.175 8.593 0.582 1 1 2186 . 17 1 1 A 193 193 LYS HA H 199 4.530 4.585 -0.055 1 1 2195 . 17 1 1 A 193 193 LYS C C 199 172.639 176.248 -3.609 1 1 2196 . 17 1 1 A 193 193 LYS CA C 199 53.361 53.371 -0.010 1 1 2197 . 17 1 1 A 193 193 LYS CB C 199 34.758 32.057 2.701 1 1 2201 . 17 1 1 A 193 193 LYS N N 199 127.122 126.840 0.282 1 1 2202 . 17 1 1 A 195 195 ASP H H 201 8.390 7.616 0.774 1 1 2203 . 17 1 1 A 195 195 ASP HA H 201 4.550 4.817 -0.267 1 1 2206 . 17 1 1 A 195 195 ASP C C 201 179.300 175.841 3.459 1 1 2207 . 17 1 1 A 195 195 ASP CA C 201 51.354 53.402 -2.048 1 1 2208 . 17 1 1 A 195 195 ASP CB C 201 40.324 42.549 -2.225 1 1 2209 . 17 1 1 A 195 195 ASP N N 201 123.239 122.005 1.234 1 1 2210 . 17 1 1 A 196 196 GLY HA2 H 202 3.718 3.455 0.263 1 1 2211 . 17 1 1 A 196 196 GLY HA3 H 202 3.437 3.775 -0.338 1 1 2212 . 17 1 1 A 196 196 GLY CA C 202 46.527 44.382 2.145 1 1 2213 . 17 1 1 A 197 197 LYS H H 203 7.740 8.613 -0.873 1 1 2214 . 17 1 1 A 197 197 LYS HA H 203 4.118 4.137 -0.019 1 1 2221 . 17 1 1 A 197 197 LYS C C 203 174.941 176.912 -1.971 1 1 2222 . 17 1 1 A 197 197 LYS CA C 203 55.054 58.236 -3.182 1 1 2223 . 17 1 1 A 197 197 LYS CB C 203 31.192 32.529 -1.337 1 1 2226 . 17 1 1 A 197 197 LYS N N 203 120.305 121.444 -1.139 1 1 2227 . 17 1 1 A 198 198 ARG H H 204 8.059 7.990 0.069 1 1 2228 . 17 1 1 A 198 198 ARG HA H 204 3.441 4.674 -1.233 1 1 2235 . 17 1 1 A 198 198 ARG C C 204 175.152 175.150 0.002 1 1 2236 . 17 1 1 A 198 198 ARG CA C 204 56.911 55.928 0.983 1 1 2237 . 17 1 1 A 198 198 ARG CB C 204 26.584 32.087 -5.503 1 1 2240 . 17 1 1 A 198 198 ARG N N 204 111.796 114.909 -3.113 1 1 2241 . 17 1 1 A 199 199 HIS H H 205 8.531 7.693 0.838 1 1 2242 . 17 1 1 A 199 199 HIS HA H 205 4.812 5.120 -0.308 1 1 2247 . 17 1 1 A 199 199 HIS C C 205 174.866 172.709 2.157 1 1 2248 . 17 1 1 A 199 199 HIS CA C 205 53.700 54.094 -0.394 1 1 2249 . 17 1 1 A 199 199 HIS CB C 205 27.838 32.557 -4.719 1 1 2250 . 17 1 1 A 199 199 HIS N N 205 120.255 114.969 5.286 1 1 2251 . 17 1 1 A 200 200 ALA H H 206 8.492 8.792 -0.300 1 1 2252 . 17 1 1 A 200 200 ALA HA H 206 4.615 4.992 -0.377 1 1 2256 . 17 1 1 A 200 200 ALA C C 206 175.840 175.308 0.532 1 1 2257 . 17 1 1 A 200 200 ALA CA C 206 52.247 50.744 1.503 1 1 2258 . 17 1 1 A 200 200 ALA CB C 206 19.838 22.286 -2.448 1 1 2259 . 17 1 1 A 200 200 ALA N N 206 123.237 120.856 2.381 1 1 2260 . 17 1 1 A 201 201 VAL H H 207 9.174 8.219 0.955 1 1 2261 . 17 1 1 A 201 201 VAL HA H 207 4.976 4.678 0.298 1 1 2269 . 17 1 1 A 201 201 VAL C C 207 173.390 174.670 -1.280 1 1 2270 . 17 1 1 A 201 201 VAL CA C 207 60.775 60.471 0.304 1 1 2271 . 17 1 1 A 201 201 VAL CB C 207 35.488 36.090 -0.602 1 1 2274 . 17 1 1 A 201 201 VAL N N 207 123.250 116.324 6.926 1 1 2275 . 17 1 1 A 202 202 ILE H H 208 8.887 8.610 0.277 1 1 2276 . 17 1 1 A 202 202 ILE HA H 208 4.312 4.861 -0.549 1 1 2286 . 17 1 1 A 202 202 ILE C C 208 174.670 174.405 0.265 1 1 2287 . 17 1 1 A 202 202 ILE CA C 208 60.815 59.921 0.894 1 1 2288 . 17 1 1 A 202 202 ILE CB C 208 41.576 39.837 1.739 1 1 2292 . 17 1 1 A 202 202 ILE N N 208 122.699 126.791 -4.092 1 1 2293 . 17 1 1 A 203 203 SER H H 209 8.416 8.875 -0.459 1 1 2294 . 17 1 1 A 203 203 SER HA H 209 4.913 4.898 0.015 1 1 2297 . 17 1 1 A 203 203 SER C C 209 172.984 172.965 0.019 1 1 2298 . 17 1 1 A 203 203 SER CA C 209 55.676 56.426 -0.750 1 1 2299 . 17 1 1 A 203 203 SER CB C 209 64.355 64.876 -0.521 1 1 2300 . 17 1 1 A 203 203 SER N N 209 122.067 122.641 -0.574 1 1 2301 . 17 1 1 A 204 204 GLY H H 210 7.292 8.063 -0.771 1 1 2302 . 17 1 1 A 204 204 GLY HA2 H 210 4.432 3.992 0.440 1 1 2303 . 17 1 1 A 204 204 GLY HA3 H 210 3.352 4.157 -0.805 1 1 2304 . 17 1 1 A 204 204 GLY C C 210 172.482 172.535 -0.053 1 1 2305 . 17 1 1 A 204 204 GLY CA C 210 45.167 44.858 0.309 1 1 2306 . 17 1 1 A 204 204 GLY N N 210 110.488 113.511 -3.023 1 1 2307 . 17 1 1 A 205 205 SER H H 211 8.652 8.799 -0.147 1 1 2308 . 17 1 1 A 205 205 SER HA H 211 5.027 5.547 -0.520 1 1 2311 . 17 1 1 A 205 205 SER C C 211 172.852 173.180 -0.328 1 1 2312 . 17 1 1 A 205 205 SER CA C 211 58.806 57.460 1.346 1 1 2313 . 17 1 1 A 205 205 SER CB C 211 64.384 66.350 -1.966 1 1 2314 . 17 1 1 A 205 205 SER N N 211 116.497 116.689 -0.192 1 1 2315 . 17 1 1 A 206 206 VAL H H 212 7.400 9.053 -1.653 1 1 2316 . 17 1 1 A 206 206 VAL HA H 212 5.032 4.832 0.200 1 1 2324 . 17 1 1 A 206 206 VAL C C 212 174.500 173.849 0.651 1 1 2325 . 17 1 1 A 206 206 VAL CA C 212 58.764 61.099 -2.335 1 1 2326 . 17 1 1 A 206 206 VAL CB C 212 30.512 34.876 -4.364 1 1 2329 . 17 1 1 A 206 206 VAL N N 212 117.101 123.562 -6.461 1 1 2330 . 17 1 1 A 207 207 LEU H H 213 8.961 8.990 -0.029 1 1 2331 . 17 1 1 A 207 207 LEU HA H 213 5.312 5.081 0.231 1 1 2341 . 17 1 1 A 207 207 LEU C C 213 175.520 174.401 1.119 1 1 2342 . 17 1 1 A 207 207 LEU CA C 213 52.630 53.292 -0.662 1 1 2343 . 17 1 1 A 207 207 LEU CB C 213 45.567 44.020 1.547 1 1 2347 . 17 1 1 A 207 207 LEU N N 213 124.185 130.018 -5.833 1 1 2348 . 17 1 1 A 208 208 TYR H H 214 8.836 8.908 -0.072 1 1 2349 . 17 1 1 A 208 208 TYR HA H 214 4.766 4.844 -0.078 1 1 2356 . 17 1 1 A 208 208 TYR C C 214 175.964 175.288 0.676 1 1 2357 . 17 1 1 A 208 208 TYR CA C 214 56.943 57.519 -0.576 1 1 2358 . 17 1 1 A 208 208 TYR CB C 214 41.736 40.881 0.855 1 1 2359 . 17 1 1 A 208 208 TYR N N 214 120.202 128.189 -7.987 1 1 2360 . 17 1 1 A 209 209 ASN H H 215 9.292 9.235 0.057 1 1 2361 . 17 1 1 A 209 209 ASN HA H 215 4.001 4.309 -0.308 1 1 2366 . 17 1 1 A 209 209 ASN C C 215 174.336 174.287 0.049 1 1 2367 . 17 1 1 A 209 209 ASN CA C 215 53.923 54.159 -0.236 1 1 2368 . 17 1 1 A 209 209 ASN CB C 215 36.468 37.098 -0.630 1 1 2369 . 17 1 1 A 209 209 ASN N N 215 129.805 125.839 3.966 1 1 2371 . 17 1 1 A 210 210 GLN H H 216 8.614 8.531 0.083 1 1 2372 . 17 1 1 A 210 210 GLN HA H 216 3.453 3.878 -0.425 1 1 2379 . 17 1 1 A 210 210 GLN C C 216 173.521 174.661 -1.140 1 1 2380 . 17 1 1 A 210 210 GLN CA C 216 57.881 57.213 0.668 1 1 2381 . 17 1 1 A 210 210 GLN CB C 216 26.089 26.556 -0.467 1 1 2383 . 17 1 1 A 210 210 GLN N N 216 106.396 109.502 -3.106 1 1 2385 . 17 1 1 A 211 211 ALA H H 217 7.657 7.522 0.135 1 1 2386 . 17 1 1 A 211 211 ALA HA H 217 4.608 4.572 0.036 1 1 2390 . 17 1 1 A 211 211 ALA C C 217 176.432 176.675 -0.243 1 1 2391 . 17 1 1 A 211 211 ALA CA C 217 50.786 51.008 -0.222 1 1 2392 . 17 1 1 A 211 211 ALA CB C 217 20.499 20.798 -0.299 1 1 2393 . 17 1 1 A 211 211 ALA N N 217 123.338 118.569 4.769 1 1 2394 . 17 1 1 A 212 212 GLU H H 218 8.712 8.783 -0.071 1 1 2395 . 17 1 1 A 212 212 GLU HA H 218 4.525 4.191 0.334 1 1 2400 . 17 1 1 A 212 212 GLU C C 218 177.924 174.772 3.152 1 1 2401 . 17 1 1 A 212 212 GLU CA C 218 57.550 58.727 -1.177 1 1 2402 . 17 1 1 A 212 212 GLU CB C 218 28.811 28.684 0.127 1 1 2404 . 17 1 1 A 212 212 GLU N N 218 122.631 116.673 5.958 1 1 2405 . 17 1 1 A 213 213 LYS H H 219 8.835 8.848 -0.013 1 1 2406 . 17 1 1 A 213 213 LYS HA H 219 4.612 4.911 -0.299 1 1 2415 . 17 1 1 A 213 213 LYS C C 219 173.786 175.499 -1.713 1 1 2416 . 17 1 1 A 213 213 LYS CA C 219 53.115 55.417 -2.302 1 1 2417 . 17 1 1 A 213 213 LYS CB C 219 34.180 35.716 -1.536 1 1 2421 . 17 1 1 A 213 213 LYS N N 219 126.870 120.694 6.176 1 1 2422 . 17 1 1 A 214 214 GLY H H 220 7.929 8.883 -0.954 1 1 2423 . 17 1 1 A 214 214 GLY HA2 H 220 5.469 4.215 1.254 1 1 2424 . 17 1 1 A 214 214 GLY HA3 H 220 3.719 4.217 -0.498 1 1 2425 . 17 1 1 A 214 214 GLY C C 220 173.926 172.662 1.264 1 1 2426 . 17 1 1 A 214 214 GLY CA C 220 44.536 44.457 0.079 1 1 2427 . 17 1 1 A 214 214 GLY N N 220 107.019 112.464 -5.445 1 1 2428 . 17 1 1 A 215 215 SER H H 221 8.678 9.063 -0.385 1 1 2429 . 17 1 1 A 215 215 SER HA H 221 5.460 5.417 0.043 1 1 2432 . 17 1 1 A 215 215 SER C C 221 171.043 173.243 -2.200 1 1 2433 . 17 1 1 A 215 215 SER CA C 221 56.810 57.511 -0.701 1 1 2434 . 17 1 1 A 215 215 SER CB C 221 66.671 66.016 0.655 1 1 2435 . 17 1 1 A 215 215 SER N N 221 117.334 116.020 1.314 1 1 2436 . 17 1 1 A 216 216 TYR H H 222 8.958 9.065 -0.107 1 1 2437 . 17 1 1 A 216 216 TYR HA H 222 5.389 5.832 -0.443 1 1 2445 . 17 1 1 A 216 216 TYR C C 222 172.789 174.102 -1.313 1 1 2446 . 17 1 1 A 216 216 TYR CA C 222 55.819 55.431 0.388 1 1 2447 . 17 1 1 A 216 216 TYR CB C 222 41.681 42.069 -0.388 1 1 2448 . 17 1 1 A 216 216 TYR N N 222 117.645 120.487 -2.842 1 1 2449 . 17 1 1 A 217 217 SER H H 223 8.837 8.956 -0.119 1 1 2450 . 17 1 1 A 217 217 SER HA H 223 5.165 5.152 0.013 1 1 2453 . 17 1 1 A 217 217 SER C C 223 173.125 173.146 -0.021 1 1 2454 . 17 1 1 A 217 217 SER CA C 223 56.600 57.565 -0.965 1 1 2455 . 17 1 1 A 217 217 SER CB C 223 64.500 65.844 -1.344 1 1 2456 . 17 1 1 A 217 217 SER N N 223 115.593 116.560 -0.967 1 1 2457 . 17 1 1 A 218 218 LEU H H 224 9.299 8.563 0.736 1 1 2458 . 17 1 1 A 218 218 LEU HA H 224 4.748 5.037 -0.289 1 1 2468 . 17 1 1 A 218 218 LEU C C 224 175.567 175.039 0.528 1 1 2469 . 17 1 1 A 218 218 LEU CA C 224 53.138 53.491 -0.353 1 1 2470 . 17 1 1 A 218 218 LEU CB C 224 46.255 45.141 1.114 1 1 2474 . 17 1 1 A 218 218 LEU N N 224 123.523 121.835 1.688 1 1 2475 . 17 1 1 A 219 219 GLY H H 225 9.041 8.327 0.714 1 1 2476 . 17 1 1 A 219 219 GLY HA2 H 225 4.620 4.503 0.117 1 1 2477 . 17 1 1 A 219 219 GLY HA3 H 225 3.413 4.540 -1.127 1 1 2478 . 17 1 1 A 219 219 GLY C C 225 171.514 172.021 -0.507 1 1 2479 . 17 1 1 A 219 219 GLY CA C 225 43.777 44.168 -0.391 1 1 2480 . 17 1 1 A 219 219 GLY N N 225 108.999 106.206 2.793 1 1 2481 . 17 1 1 A 220 220 ILE H H 226 6.853 8.860 -2.007 1 1 2482 . 17 1 1 A 220 220 ILE HA H 226 4.615 4.765 -0.150 1 1 2492 . 17 1 1 A 220 220 ILE C C 226 174.750 175.680 -0.930 1 1 2493 . 17 1 1 A 220 220 ILE CA C 226 60.421 61.215 -0.794 1 1 2494 . 17 1 1 A 220 220 ILE CB C 226 38.213 38.249 -0.036 1 1 2498 . 17 1 1 A 220 220 ILE N N 226 120.223 121.816 -1.593 1 1 2499 . 17 1 1 A 221 221 PHE H H 227 9.392 9.039 0.353 1 1 2500 . 17 1 1 A 221 221 PHE HA H 227 4.770 5.175 -0.405 1 1 2507 . 17 1 1 A 221 221 PHE C C 227 175.093 175.465 -0.372 1 1 2508 . 17 1 1 A 221 221 PHE CA C 227 58.053 56.557 1.496 1 1 2509 . 17 1 1 A 221 221 PHE CB C 227 42.505 42.338 0.167 1 1 2510 . 17 1 1 A 221 221 PHE N N 227 128.229 125.871 2.358 1 1 2511 . 17 1 1 A 222 222 GLY H H 228 8.675 8.998 -0.323 1 1 2512 . 17 1 1 A 222 222 GLY HA2 H 228 3.174 3.915 -0.741 1 1 2513 . 17 1 1 A 222 222 GLY HA3 H 228 4.311 3.957 0.354 1 1 2514 . 17 1 1 A 222 222 GLY CA C 228 42.438 44.724 -2.286 1 1 2515 . 17 1 1 A 222 222 GLY N N 228 104.634 110.416 -5.782 1 1 2516 . 17 1 1 A 223 223 GLY CA C 229 46.870 47.071 -0.201 1 1 2517 . 17 1 1 A 224 224 LYS H H 230 8.366 7.523 0.843 1 1 2518 . 17 1 1 A 224 224 LYS HA H 230 4.305 4.624 -0.319 1 1 2523 . 17 1 1 A 224 224 LYS C C 230 174.717 175.551 -0.834 1 1 2524 . 17 1 1 A 224 224 LYS CA C 230 54.119 54.989 -0.870 1 1 2525 . 17 1 1 A 224 224 LYS CB C 230 30.821 32.763 -1.942 1 1 2527 . 17 1 1 A 224 224 LYS N N 230 118.720 115.726 2.994 1 1 2528 . 17 1 1 A 225 225 ALA H H 231 7.633 9.013 -1.380 1 1 2529 . 17 1 1 A 225 225 ALA HA H 231 3.810 4.334 -0.524 1 1 2533 . 17 1 1 A 225 225 ALA C C 231 176.702 177.689 -0.987 1 1 2534 . 17 1 1 A 225 225 ALA CA C 231 51.868 53.210 -1.342 1 1 2535 . 17 1 1 A 225 225 ALA CB C 231 16.117 18.052 -1.935 1 1 2536 . 17 1 1 A 225 225 ALA N N 231 118.077 120.818 -2.741 1 1 2537 . 17 1 1 A 226 226 GLN H H 232 9.387 7.618 1.769 1 1 2538 . 17 1 1 A 226 226 GLN HA H 232 3.877 4.130 -0.253 1 1 2543 . 17 1 1 A 226 226 GLN C C 232 175.992 176.025 -0.033 1 1 2544 . 17 1 1 A 226 226 GLN CA C 232 60.989 58.344 2.645 1 1 2545 . 17 1 1 A 226 226 GLN CB C 232 28.695 29.337 -0.642 1 1 2547 . 17 1 1 A 226 226 GLN N N 232 117.991 117.768 0.223 1 1 2548 . 17 1 1 A 227 227 GLU H H 233 8.825 7.456 1.369 1 1 2549 . 17 1 1 A 227 227 GLU HA H 233 5.411 4.820 0.591 1 1 2554 . 17 1 1 A 227 227 GLU C C 233 174.939 173.826 1.113 1 1 2555 . 17 1 1 A 227 227 GLU CA C 233 54.289 55.521 -1.232 1 1 2556 . 17 1 1 A 227 227 GLU CB C 233 33.797 32.460 1.337 1 1 2558 . 17 1 1 A 227 227 GLU N N 233 116.638 114.174 2.464 1 1 2559 . 17 1 1 A 228 228 VAL H H 234 8.343 8.624 -0.281 1 1 2560 . 17 1 1 A 228 228 VAL HA H 234 5.544 4.843 0.701 1 1 2568 . 17 1 1 A 228 228 VAL C C 234 174.839 173.899 0.940 1 1 2569 . 17 1 1 A 228 228 VAL CA C 234 57.867 59.855 -1.988 1 1 2570 . 17 1 1 A 228 228 VAL CB C 234 35.379 35.285 0.094 1 1 2573 . 17 1 1 A 228 228 VAL N N 234 109.304 115.947 -6.643 1 1 2574 . 17 1 1 A 229 229 ALA H H 235 8.475 8.101 0.374 1 1 2575 . 17 1 1 A 229 229 ALA HA H 235 4.937 5.072 -0.135 1 1 2579 . 17 1 1 A 229 229 ALA C C 235 176.417 175.734 0.683 1 1 2580 . 17 1 1 A 229 229 ALA CA C 235 51.303 50.941 0.362 1 1 2581 . 17 1 1 A 229 229 ALA CB C 235 20.301 23.368 -3.067 1 1 2582 . 17 1 1 A 229 229 ALA N N 235 120.653 124.175 -3.522 1 1 2583 . 17 1 1 A 230 230 GLY H H 236 9.361 8.130 1.231 1 1 2584 . 17 1 1 A 230 230 GLY HA2 H 236 5.075 4.198 0.877 1 1 2585 . 17 1 1 A 230 230 GLY HA3 H 236 4.017 4.200 -0.183 1 1 2586 . 17 1 1 A 230 230 GLY C C 236 170.130 171.885 -1.755 1 1 2587 . 17 1 1 A 230 230 GLY CA C 236 46.221 46.147 0.074 1 1 2588 . 17 1 1 A 230 230 GLY N N 236 111.104 106.310 4.794 1 1 2589 . 17 1 1 A 231 231 SER H H 237 8.889 8.786 0.103 1 1 2590 . 17 1 1 A 231 231 SER HA H 237 5.276 5.344 -0.068 1 1 2593 . 17 1 1 A 231 231 SER C C 237 171.360 172.913 -1.553 1 1 2594 . 17 1 1 A 231 231 SER CA C 237 56.498 57.236 -0.738 1 1 2595 . 17 1 1 A 231 231 SER CB C 237 66.398 66.546 -0.148 1 1 2596 . 17 1 1 A 231 231 SER N N 237 115.308 115.170 0.138 1 1 2597 . 17 1 1 A 232 232 ALA H H 238 9.083 8.964 0.119 1 1 2598 . 17 1 1 A 232 232 ALA HA H 238 5.148 5.320 -0.172 1 1 2602 . 17 1 1 A 232 232 ALA C C 238 174.537 175.599 -1.062 1 1 2603 . 17 1 1 A 232 232 ALA CA C 238 49.904 50.684 -0.780 1 1 2604 . 17 1 1 A 232 232 ALA CB C 238 21.729 24.062 -2.333 1 1 2605 . 17 1 1 A 232 232 ALA N N 238 119.911 122.950 -3.039 1 1 2606 . 17 1 1 A 233 233 GLU H H 239 9.015 9.144 -0.129 1 1 2607 . 17 1 1 A 233 233 GLU HA H 239 4.631 4.907 -0.276 1 1 2612 . 17 1 1 A 233 233 GLU C C 239 174.122 173.912 0.210 1 1 2613 . 17 1 1 A 233 233 GLU CA C 239 54.786 54.380 0.406 1 1 2614 . 17 1 1 A 233 233 GLU CB C 239 31.355 32.862 -1.507 1 1 2616 . 17 1 1 A 233 233 GLU N N 239 122.744 116.798 5.946 1 1 2617 . 17 1 1 A 234 234 VAL H H 240 8.792 8.770 0.022 1 1 2618 . 17 1 1 A 234 234 VAL HA H 240 4.394 4.839 -0.445 1 1 2623 . 17 1 1 A 234 234 VAL C C 240 174.833 174.139 0.694 1 1 2624 . 17 1 1 A 234 234 VAL CA C 240 61.427 59.177 2.250 1 1 2625 . 17 1 1 A 234 234 VAL CB C 240 33.863 34.866 -1.003 1 1 2627 . 17 1 1 A 234 234 VAL N N 240 124.203 120.383 3.820 1 1 2628 . 17 1 1 A 235 235 LYS H H 241 8.841 8.139 0.702 1 1 2629 . 17 1 1 A 235 235 LYS HA H 241 3.981 4.955 -0.974 1 1 2638 . 17 1 1 A 235 235 LYS C C 241 174.548 174.793 -0.245 1 1 2639 . 17 1 1 A 235 235 LYS CA C 241 55.955 55.156 0.799 1 1 2640 . 17 1 1 A 235 235 LYS CB C 241 32.100 33.868 -1.768 1 1 2644 . 17 1 1 A 235 235 LYS N N 241 127.554 125.377 2.177 1 1 2645 . 17 1 1 A 236 236 THR H H 242 7.212 9.079 -1.867 1 1 2646 . 17 1 1 A 236 236 THR HA H 242 4.355 4.788 -0.433 1 1 2651 . 17 1 1 A 236 236 THR C C 242 176.482 175.939 0.543 1 1 2652 . 17 1 1 A 236 236 THR CA C 242 61.054 59.461 1.593 1 1 2653 . 17 1 1 A 236 236 THR CB C 242 72.642 71.482 1.160 1 1 2655 . 17 1 1 A 236 236 THR N N 242 114.463 119.935 -5.472 1 1 2656 . 17 1 1 A 237 237 VAL H H 243 9.582 8.818 0.764 1 1 2657 . 17 1 1 A 237 237 VAL HA H 243 3.849 3.859 -0.010 1 1 2665 . 17 1 1 A 237 237 VAL C C 243 176.201 176.803 -0.602 1 1 2666 . 17 1 1 A 237 237 VAL CA C 243 64.701 65.387 -0.686 1 1 2667 . 17 1 1 A 237 237 VAL CB C 243 31.028 31.455 -0.427 1 1 2669 . 17 1 1 A 237 237 VAL N N 243 120.670 123.995 -3.325 1 1 2670 . 17 1 1 A 238 238 ASN H H 244 7.572 7.581 -0.009 1 1 2671 . 17 1 1 A 238 238 ASN HA H 244 4.882 4.771 0.111 1 1 2676 . 17 1 1 A 238 238 ASN C C 244 173.835 175.873 -2.038 1 1 2677 . 17 1 1 A 238 238 ASN CA C 244 52.022 53.267 -1.245 1 1 2678 . 17 1 1 A 238 238 ASN CB C 244 39.176 38.884 0.292 1 1 2679 . 17 1 1 A 238 238 ASN N N 244 115.638 118.486 -2.848 1 1 2681 . 17 1 1 A 239 239 GLY H H 245 7.362 8.079 -0.717 1 1 2682 . 17 1 1 A 239 239 GLY HA2 H 245 4.539 4.081 0.458 1 1 2683 . 17 1 1 A 239 239 GLY HA3 H 245 3.728 4.093 -0.365 1 1 2684 . 17 1 1 A 239 239 GLY C C 245 174.343 173.460 0.883 1 1 2685 . 17 1 1 A 239 239 GLY CA C 245 43.316 45.337 -2.021 1 1 2686 . 17 1 1 A 239 239 GLY N N 245 107.650 106.549 1.101 1 1 2687 . 17 1 1 A 240 240 ILE H H 246 8.672 8.238 0.434 1 1 2688 . 17 1 1 A 240 240 ILE HA H 246 4.351 4.458 -0.107 1 1 2698 . 17 1 1 A 240 240 ILE C C 246 176.899 174.520 2.379 1 1 2699 . 17 1 1 A 240 240 ILE CA C 246 61.120 60.753 0.367 1 1 2700 . 17 1 1 A 240 240 ILE CB C 246 36.906 38.781 -1.875 1 1 2704 . 17 1 1 A 240 240 ILE N N 246 122.673 123.688 -1.015 1 1 2705 . 17 1 1 A 241 241 ARG H H 247 9.233 8.869 0.364 1 1 2706 . 17 1 1 A 241 241 ARG HA H 247 4.370 4.967 -0.597 1 1 2713 . 17 1 1 A 241 241 ARG C C 247 173.925 175.297 -1.372 1 1 2714 . 17 1 1 A 241 241 ARG CA C 247 53.461 54.739 -1.278 1 1 2715 . 17 1 1 A 241 241 ARG CB C 247 31.910 33.890 -1.980 1 1 2718 . 17 1 1 A 241 241 ARG N N 247 128.497 128.612 -0.115 1 1 2719 . 17 1 1 A 242 242 HIS H H 248 8.519 8.520 -0.001 1 1 2720 . 17 1 1 A 242 242 HIS HA H 248 5.323 4.903 0.420 1 1 2725 . 17 1 1 A 242 242 HIS C C 248 174.635 175.553 -0.918 1 1 2726 . 17 1 1 A 242 242 HIS CA C 248 55.759 56.691 -0.932 1 1 2727 . 17 1 1 A 242 242 HIS CB C 248 32.921 30.812 2.109 1 1 2728 . 17 1 1 A 242 242 HIS N N 248 121.131 125.292 -4.161 1 1 2729 . 17 1 1 A 243 243 ILE H H 249 8.723 8.826 -0.103 1 1 2730 . 17 1 1 A 243 243 ILE HA H 249 4.522 4.730 -0.208 1 1 2740 . 17 1 1 A 243 243 ILE C C 249 176.188 175.192 0.996 1 1 2741 . 17 1 1 A 243 243 ILE CA C 249 58.524 59.781 -1.257 1 1 2742 . 17 1 1 A 243 243 ILE CB C 249 41.977 42.623 -0.646 1 1 2746 . 17 1 1 A 243 243 ILE N N 249 119.438 121.759 -2.321 1 1 2747 . 17 1 1 A 244 244 GLY H H 250 9.351 8.836 0.515 1 1 2748 . 17 1 1 A 244 244 GLY HA2 H 250 3.707 2.552 1.155 1 1 2749 . 17 1 1 A 244 244 GLY HA3 H 250 2.119 3.756 -1.637 1 1 2750 . 17 1 1 A 244 244 GLY C C 250 170.981 171.671 -0.690 1 1 2751 . 17 1 1 A 244 244 GLY CA C 250 44.178 43.644 0.534 1 1 2752 . 17 1 1 A 244 244 GLY N N 250 113.700 113.909 -0.209 1 1 2753 . 17 1 1 A 245 245 LEU H H 251 7.833 8.144 -0.311 1 1 2754 . 17 1 1 A 245 245 LEU HA H 251 4.717 4.882 -0.165 1 1 2764 . 17 1 1 A 245 245 LEU C C 251 174.501 175.910 -1.409 1 1 2765 . 17 1 1 A 245 245 LEU CA C 251 52.508 53.541 -1.033 1 1 2766 . 17 1 1 A 245 245 LEU CB C 251 46.764 43.567 3.197 1 1 2770 . 17 1 1 A 245 245 LEU N N 251 120.798 124.048 -3.250 1 1 2771 . 17 1 1 A 246 246 ALA H H 252 7.906 8.617 -0.711 1 1 2772 . 17 1 1 A 246 246 ALA HA H 252 4.589 4.836 -0.247 1 1 2776 . 17 1 1 A 246 246 ALA C C 252 173.363 175.435 -2.072 1 1 2777 . 17 1 1 A 246 246 ALA CA C 252 51.546 51.511 0.035 1 1 2778 . 17 1 1 A 246 246 ALA CB C 252 21.524 20.433 1.091 1 1 2779 . 17 1 1 A 246 246 ALA N N 252 122.885 124.184 -1.299 1 1 2780 . 17 1 1 A 247 247 ALA H H 253 9.041 8.478 0.563 1 1 2781 . 17 1 1 A 247 247 ALA HA H 253 4.726 5.079 -0.353 1 1 2785 . 17 1 1 A 247 247 ALA C C 253 174.897 175.536 -0.639 1 1 2786 . 17 1 1 A 247 247 ALA CA C 253 51.723 50.988 0.735 1 1 2787 . 17 1 1 A 247 247 ALA CB C 253 22.967 24.171 -1.204 1 1 2788 . 17 1 1 A 247 247 ALA N N 253 122.967 124.452 -1.485 1 1 2789 . 17 1 1 A 248 248 LYS H H 254 8.171 8.602 -0.431 1 1 2790 . 17 1 1 A 248 248 LYS HA H 254 5.731 5.038 0.693 1 1 2797 . 17 1 1 A 248 248 LYS C C 254 175.094 174.670 0.424 1 1 2798 . 17 1 1 A 248 248 LYS CA C 254 53.866 54.992 -1.126 1 1 2799 . 17 1 1 A 248 248 LYS CB C 254 36.312 36.337 -0.025 1 1 2802 . 17 1 1 A 248 248 LYS N N 254 115.734 120.324 -4.590 1 1 60 . 18 1 1 A 9 9 GLY H H 15 8.346 8.919 -0.573 1 1 61 . 18 1 1 A 9 9 GLY HA2 H 15 4.021 3.862 0.159 1 1 62 . 18 1 1 A 9 9 GLY HA3 H 15 3.772 3.863 -0.091 1 1 63 . 18 1 1 A 9 9 GLY C C 15 174.259 175.796 -1.537 1 1 64 . 18 1 1 A 9 9 GLY CA C 15 45.581 46.913 -1.332 1 1 65 . 18 1 1 A 9 9 GLY N N 15 107.368 109.217 -1.849 1 1 66 . 18 1 1 A 10 10 LEU H H 16 7.224 7.875 -0.651 1 1 67 . 18 1 1 A 10 10 LEU HA H 16 3.736 4.095 -0.359 1 1 77 . 18 1 1 A 10 10 LEU C C 16 178.202 179.120 -0.918 1 1 78 . 18 1 1 A 10 10 LEU CA C 16 57.915 57.783 0.132 1 1 79 . 18 1 1 A 10 10 LEU CB C 16 40.686 41.816 -1.130 1 1 83 . 18 1 1 A 10 10 LEU N N 16 117.616 123.204 -5.588 1 1 84 . 18 1 1 A 11 11 ALA H H 17 7.860 8.486 -0.626 1 1 85 . 18 1 1 A 11 11 ALA HA H 17 3.937 4.083 -0.146 1 1 89 . 18 1 1 A 11 11 ALA C C 17 181.090 179.172 1.918 1 1 90 . 18 1 1 A 11 11 ALA CA C 17 54.860 55.132 -0.272 1 1 91 . 18 1 1 A 11 11 ALA CB C 17 17.248 17.966 -0.718 1 1 92 . 18 1 1 A 11 11 ALA N N 17 117.757 120.285 -2.528 1 1 93 . 18 1 1 A 12 12 ASP H H 18 8.017 8.348 -0.331 1 1 94 . 18 1 1 A 12 12 ASP HA H 18 4.223 4.350 -0.127 1 1 97 . 18 1 1 A 12 12 ASP C C 18 177.941 177.879 0.062 1 1 98 . 18 1 1 A 12 12 ASP CA C 18 56.341 57.176 -0.835 1 1 99 . 18 1 1 A 12 12 ASP CB C 18 39.312 41.196 -1.884 1 1 100 . 18 1 1 A 12 12 ASP N N 18 118.410 119.054 -0.644 1 1 101 . 18 1 1 A 13 13 ALA H H 19 8.205 7.892 0.313 1 1 102 . 18 1 1 A 13 13 ALA HA H 19 3.952 4.168 -0.216 1 1 106 . 18 1 1 A 13 13 ALA C C 19 178.856 179.165 -0.309 1 1 107 . 18 1 1 A 13 13 ALA CA C 19 55.039 54.012 1.027 1 1 108 . 18 1 1 A 13 13 ALA CB C 19 17.779 18.403 -0.624 1 1 109 . 18 1 1 A 13 13 ALA N N 19 121.480 121.663 -0.183 1 1 110 . 18 1 1 A 14 14 LEU H H 20 7.217 7.947 -0.730 1 1 111 . 18 1 1 A 14 14 LEU HA H 20 4.258 4.148 0.110 1 1 121 . 18 1 1 A 14 14 LEU C C 20 177.544 179.039 -1.495 1 1 122 . 18 1 1 A 14 14 LEU CA C 20 55.511 57.184 -1.673 1 1 123 . 18 1 1 A 14 14 LEU CB C 20 42.176 41.915 0.261 1 1 126 . 18 1 1 A 14 14 LEU N N 20 113.410 118.353 -4.943 1 1 127 . 18 1 1 A 15 15 THR H H 21 7.624 7.269 0.355 1 1 128 . 18 1 1 A 15 15 THR HA H 21 4.394 4.314 0.080 1 1 133 . 18 1 1 A 15 15 THR C C 21 174.959 174.712 0.247 1 1 134 . 18 1 1 A 15 15 THR CA C 21 61.733 63.853 -2.120 1 1 135 . 18 1 1 A 15 15 THR CB C 21 71.514 69.189 2.325 1 1 137 . 18 1 1 A 15 15 THR N N 21 106.072 108.619 -2.547 1 1 138 . 18 1 1 A 16 16 ALA H H 22 8.932 7.759 1.173 1 1 139 . 18 1 1 A 16 16 ALA HA H 22 4.624 4.648 -0.024 1 1 143 . 18 1 1 A 16 16 ALA C C 22 175.978 175.824 0.154 1 1 144 . 18 1 1 A 16 16 ALA CA C 22 50.681 49.915 0.766 1 1 145 . 18 1 1 A 16 16 ALA CB C 22 18.728 20.644 -1.916 1 1 146 . 18 1 1 A 16 16 ALA N N 22 127.789 124.015 3.774 1 1 147 . 18 1 1 A 17 17 PRO HA H 23 4.430 4.605 -0.175 1 1 154 . 18 1 1 A 17 17 PRO CA C 23 61.497 62.534 -1.037 1 1 155 . 18 1 1 A 17 17 PRO CB C 23 31.775 32.899 -1.124 1 1 158 . 18 1 1 A 18 18 LEU H H 24 8.154 8.433 -0.279 1 1 159 . 18 1 1 A 18 18 LEU HA H 24 3.894 4.907 -1.013 1 1 169 . 18 1 1 A 18 18 LEU C C 24 176.447 174.959 1.488 1 1 170 . 18 1 1 A 18 18 LEU CA C 24 55.510 53.398 2.112 1 1 171 . 18 1 1 A 18 18 LEU CB C 24 40.921 44.612 -3.691 1 1 175 . 18 1 1 A 18 18 LEU N N 24 121.010 120.884 0.126 1 1 176 . 18 1 1 A 19 19 ASP H H 25 8.758 8.755 0.003 1 1 177 . 18 1 1 A 19 19 ASP HA H 25 4.626 4.613 0.013 1 1 180 . 18 1 1 A 19 19 ASP C C 25 176.425 177.146 -0.721 1 1 181 . 18 1 1 A 19 19 ASP CA C 25 52.688 54.317 -1.629 1 1 182 . 18 1 1 A 19 19 ASP CB C 25 42.819 42.522 0.297 1 1 183 . 18 1 1 A 19 19 ASP N N 25 124.654 121.498 3.156 1 1 184 . 18 1 1 A 20 20 HIS HA H 26 4.272 4.100 0.172 1 1 189 . 18 1 1 A 20 20 HIS CA C 26 58.100 59.938 -1.838 1 1 190 . 18 1 1 A 20 20 HIS CB C 26 29.200 30.274 -1.074 1 1 191 . 18 1 1 A 21 21 LYS H H 27 8.348 7.255 1.093 1 1 192 . 18 1 1 A 21 21 LYS HA H 27 3.970 4.261 -0.291 1 1 201 . 18 1 1 A 21 21 LYS C C 27 177.393 175.863 1.530 1 1 202 . 18 1 1 A 21 21 LYS CA C 27 56.320 55.327 0.993 1 1 203 . 18 1 1 A 21 21 LYS CB C 27 30.950 33.378 -2.428 1 1 206 . 18 1 1 A 21 21 LYS N N 27 118.419 114.045 4.374 1 1 207 . 18 1 1 A 22 22 ASP H H 28 7.451 8.565 -1.114 1 1 208 . 18 1 1 A 22 22 ASP HA H 28 4.307 4.581 -0.274 1 1 211 . 18 1 1 A 22 22 ASP C C 28 176.212 176.176 0.036 1 1 212 . 18 1 1 A 22 22 ASP CA C 28 54.164 55.238 -1.074 1 1 213 . 18 1 1 A 22 22 ASP CB C 28 40.091 40.356 -0.265 1 1 214 . 18 1 1 A 22 22 ASP N N 28 120.045 120.130 -0.085 1 1 215 . 18 1 1 A 23 23 LYS H H 29 8.416 8.639 -0.223 1 1 216 . 18 1 1 A 23 23 LYS HA H 29 3.962 4.581 -0.619 1 1 225 . 18 1 1 A 23 23 LYS C C 29 177.409 176.162 1.247 1 1 226 . 18 1 1 A 23 23 LYS CA C 29 56.254 56.439 -0.185 1 1 227 . 18 1 1 A 23 23 LYS CB C 29 31.950 33.102 -1.152 1 1 231 . 18 1 1 A 23 23 LYS N N 29 121.925 123.484 -1.559 1 1 232 . 18 1 1 A 24 24 GLY H H 30 8.612 7.115 1.497 1 1 233 . 18 1 1 A 24 24 GLY HA2 H 30 3.655 4.054 -0.399 1 1 234 . 18 1 1 A 24 24 GLY HA3 H 30 3.519 4.077 -0.558 1 1 235 . 18 1 1 A 24 24 GLY CA C 30 44.788 45.301 -0.513 1 1 236 . 18 1 1 A 24 24 GLY N N 30 111.487 107.666 3.821 1 1 237 . 18 1 1 A 25 25 LEU H H 31 8.054 8.526 -0.472 1 1 238 . 18 1 1 A 25 25 LEU HA H 31 3.770 4.294 -0.524 1 1 248 . 18 1 1 A 25 25 LEU CA C 31 55.906 56.061 -0.155 1 1 249 . 18 1 1 A 25 25 LEU CB C 31 44.428 42.466 1.962 1 1 253 . 18 1 1 A 25 25 LEU N N 31 127.196 121.248 5.948 1 1 254 . 18 1 1 A 26 26 GLN H H 32 9.184 8.752 0.432 1 1 255 . 18 1 1 A 26 26 GLN HA H 32 3.437 4.651 -1.214 1 1 262 . 18 1 1 A 26 26 GLN C C 32 174.347 175.178 -0.831 1 1 263 . 18 1 1 A 26 26 GLN CA C 32 57.926 55.620 2.306 1 1 264 . 18 1 1 A 26 26 GLN CB C 32 27.721 31.107 -3.386 1 1 266 . 18 1 1 A 26 26 GLN N N 32 131.782 122.317 9.465 1 1 268 . 18 1 1 A 27 27 SER H H 33 7.240 7.809 -0.569 1 1 269 . 18 1 1 A 27 27 SER HA H 33 4.981 4.883 0.098 1 1 272 . 18 1 1 A 27 27 SER C C 33 171.111 172.083 -0.972 1 1 273 . 18 1 1 A 27 27 SER CA C 33 56.782 56.616 0.166 1 1 274 . 18 1 1 A 27 27 SER CB C 33 64.611 66.936 -2.325 1 1 275 . 18 1 1 A 27 27 SER N N 33 108.936 114.004 -5.068 1 1 276 . 18 1 1 A 28 28 LEU H H 34 8.010 8.750 -0.740 1 1 277 . 18 1 1 A 28 28 LEU HA H 34 4.372 5.110 -0.738 1 1 287 . 18 1 1 A 28 28 LEU C C 34 174.697 175.378 -0.681 1 1 288 . 18 1 1 A 28 28 LEU CA C 34 53.332 53.400 -0.068 1 1 289 . 18 1 1 A 28 28 LEU CB C 34 45.636 45.889 -0.253 1 1 293 . 18 1 1 A 28 28 LEU N N 34 121.826 122.550 -0.724 1 1 294 . 18 1 1 A 29 29 THR H H 35 8.810 8.739 0.071 1 1 295 . 18 1 1 A 29 29 THR HA H 35 4.046 4.814 -0.768 1 1 300 . 18 1 1 A 29 29 THR C C 35 172.792 173.721 -0.929 1 1 301 . 18 1 1 A 29 29 THR CA C 35 62.565 61.830 0.735 1 1 302 . 18 1 1 A 29 29 THR CB C 35 68.233 70.172 -1.939 1 1 304 . 18 1 1 A 29 29 THR N N 35 123.892 119.447 4.445 1 1 305 . 18 1 1 A 30 30 LEU H H 36 8.662 8.974 -0.312 1 1 306 . 18 1 1 A 30 30 LEU HA H 36 4.150 4.669 -0.519 1 1 316 . 18 1 1 A 30 30 LEU C C 36 174.707 176.035 -1.328 1 1 317 . 18 1 1 A 30 30 LEU CA C 36 53.789 54.347 -0.558 1 1 318 . 18 1 1 A 30 30 LEU CB C 36 40.562 41.167 -0.605 1 1 322 . 18 1 1 A 30 30 LEU N N 36 128.365 126.111 2.254 1 1 323 . 18 1 1 A 31 31 ASP H H 37 8.500 8.972 -0.472 1 1 324 . 18 1 1 A 31 31 ASP HA H 37 4.837 4.912 -0.075 1 1 327 . 18 1 1 A 31 31 ASP CA C 37 54.657 55.012 -0.355 1 1 328 . 18 1 1 A 31 31 ASP CB C 37 43.089 43.284 -0.195 1 1 329 . 18 1 1 A 31 31 ASP N N 37 123.194 125.892 -2.698 1 1 330 . 18 1 1 A 32 32 GLN H H 38 10.453 8.256 2.197 1 1 331 . 18 1 1 A 32 32 GLN HA H 38 3.808 4.385 -0.577 1 1 338 . 18 1 1 A 32 32 GLN C C 38 178.535 177.674 0.861 1 1 339 . 18 1 1 A 32 32 GLN CA C 38 56.284 56.844 -0.560 1 1 340 . 18 1 1 A 32 32 GLN CB C 38 28.175 30.069 -1.894 1 1 342 . 18 1 1 A 32 32 GLN N N 38 120.692 118.134 2.558 1 1 344 . 18 1 1 A 33 33 SER H H 39 8.523 7.998 0.525 1 1 345 . 18 1 1 A 33 33 SER HA H 39 4.081 4.150 -0.069 1 1 348 . 18 1 1 A 33 33 SER C C 39 171.792 174.115 -2.323 1 1 349 . 18 1 1 A 33 33 SER CA C 39 61.436 61.966 -0.530 1 1 350 . 18 1 1 A 33 33 SER CB C 39 63.008 63.161 -0.153 1 1 351 . 18 1 1 A 33 33 SER N N 39 111.712 113.377 -1.665 1 1 352 . 18 1 1 A 34 34 VAL H H 40 6.691 7.519 -0.828 1 1 353 . 18 1 1 A 34 34 VAL HA H 40 3.890 4.642 -0.752 1 1 361 . 18 1 1 A 34 34 VAL C C 40 172.251 174.214 -1.963 1 1 362 . 18 1 1 A 34 34 VAL CA C 40 60.415 59.922 0.493 1 1 363 . 18 1 1 A 34 34 VAL CB C 40 32.306 35.556 -3.250 1 1 366 . 18 1 1 A 34 34 VAL N N 40 115.971 118.383 -2.412 1 1 367 . 18 1 1 A 35 35 ARG H H 41 8.184 8.720 -0.536 1 1 368 . 18 1 1 A 35 35 ARG HA H 41 4.176 4.374 -0.198 1 1 375 . 18 1 1 A 35 35 ARG C C 41 176.886 177.668 -0.782 1 1 376 . 18 1 1 A 35 35 ARG CA C 41 55.599 55.880 -0.281 1 1 377 . 18 1 1 A 35 35 ARG CB C 41 30.569 31.308 -0.739 1 1 380 . 18 1 1 A 35 35 ARG N N 41 125.397 125.922 -0.525 1 1 381 . 18 1 1 A 36 36 LYS H H 42 8.493 8.880 -0.387 1 1 382 . 18 1 1 A 36 36 LYS HA H 42 3.778 4.270 -0.492 1 1 391 . 18 1 1 A 36 36 LYS C C 42 176.596 177.159 -0.563 1 1 392 . 18 1 1 A 36 36 LYS CA C 42 58.687 58.093 0.594 1 1 393 . 18 1 1 A 36 36 LYS CB C 42 31.959 32.013 -0.054 1 1 397 . 18 1 1 A 36 36 LYS N N 42 119.360 122.422 -3.062 1 1 398 . 18 1 1 A 37 37 ASN H H 43 8.513 8.036 0.477 1 1 399 . 18 1 1 A 37 37 ASN HA H 43 4.438 4.736 -0.298 1 1 404 . 18 1 1 A 37 37 ASN C C 43 173.867 175.531 -1.664 1 1 405 . 18 1 1 A 37 37 ASN CA C 43 55.127 54.116 1.011 1 1 406 . 18 1 1 A 37 37 ASN CB C 43 37.071 39.589 -2.518 1 1 407 . 18 1 1 A 37 37 ASN N N 43 115.488 115.229 0.259 1 1 409 . 18 1 1 A 38 38 GLU H H 44 7.793 7.616 0.177 1 1 410 . 18 1 1 A 38 38 GLU HA H 44 4.772 4.835 -0.063 1 1 413 . 18 1 1 A 38 38 GLU C C 44 175.262 174.763 0.499 1 1 414 . 18 1 1 A 38 38 GLU CA C 44 54.808 54.646 0.162 1 1 415 . 18 1 1 A 38 38 GLU CB C 44 32.321 31.586 0.735 1 1 416 . 18 1 1 A 38 38 GLU N N 44 118.734 117.367 1.367 1 1 417 . 18 1 1 A 39 39 LYS H H 45 8.706 8.665 0.041 1 1 418 . 18 1 1 A 39 39 LYS HA H 45 4.606 5.391 -0.785 1 1 427 . 18 1 1 A 39 39 LYS C C 45 174.312 175.213 -0.901 1 1 428 . 18 1 1 A 39 39 LYS CA C 45 52.782 54.635 -1.853 1 1 429 . 18 1 1 A 39 39 LYS CB C 45 35.174 35.986 -0.812 1 1 433 . 18 1 1 A 39 39 LYS N N 45 117.132 123.328 -6.196 1 1 434 . 18 1 1 A 40 40 LEU H H 46 9.085 8.975 0.110 1 1 435 . 18 1 1 A 40 40 LEU HA H 46 5.044 5.288 -0.244 1 1 442 . 18 1 1 A 40 40 LEU C C 46 173.778 174.422 -0.644 1 1 443 . 18 1 1 A 40 40 LEU CA C 46 52.590 52.887 -0.297 1 1 444 . 18 1 1 A 40 40 LEU CB C 46 44.855 46.496 -1.641 1 1 447 . 18 1 1 A 40 40 LEU N N 46 125.335 121.743 3.592 1 1 448 . 18 1 1 A 41 41 LYS H H 47 9.263 9.220 0.043 1 1 449 . 18 1 1 A 41 41 LYS HA H 47 5.049 5.159 -0.110 1 1 458 . 18 1 1 A 41 41 LYS C C 47 175.616 174.269 1.347 1 1 459 . 18 1 1 A 41 41 LYS CA C 47 53.864 54.736 -0.872 1 1 460 . 18 1 1 A 41 41 LYS CB C 47 32.986 35.043 -2.057 1 1 464 . 18 1 1 A 41 41 LYS N N 47 129.833 120.794 9.039 1 1 465 . 18 1 1 A 42 42 LEU H H 48 8.954 9.271 -0.317 1 1 466 . 18 1 1 A 42 42 LEU HA H 48 5.458 5.381 0.077 1 1 476 . 18 1 1 A 42 42 LEU C C 48 175.565 174.962 0.603 1 1 477 . 18 1 1 A 42 42 LEU CA C 48 51.964 53.487 -1.523 1 1 478 . 18 1 1 A 42 42 LEU CB C 48 44.393 45.667 -1.274 1 1 482 . 18 1 1 A 42 42 LEU N N 48 126.292 128.759 -2.467 1 1 483 . 18 1 1 A 43 43 ALA H H 49 8.804 9.138 -0.334 1 1 484 . 18 1 1 A 43 43 ALA HA H 49 5.304 5.182 0.122 1 1 488 . 18 1 1 A 43 43 ALA C C 49 176.301 175.798 0.503 1 1 489 . 18 1 1 A 43 43 ALA CA C 49 51.004 51.443 -0.439 1 1 490 . 18 1 1 A 43 43 ALA CB C 49 23.453 23.856 -0.403 1 1 491 . 18 1 1 A 43 43 ALA N N 49 120.789 127.186 -6.397 1 1 492 . 18 1 1 A 44 44 ALA H H 50 8.117 8.497 -0.380 1 1 493 . 18 1 1 A 44 44 ALA HA H 50 4.485 4.561 -0.076 1 1 497 . 18 1 1 A 44 44 ALA C C 50 176.254 176.653 -0.399 1 1 498 . 18 1 1 A 44 44 ALA CA C 50 53.021 51.663 1.358 1 1 499 . 18 1 1 A 44 44 ALA CB C 50 23.682 22.020 1.662 1 1 500 . 18 1 1 A 44 44 ALA N N 50 120.678 119.952 0.726 1 1 501 . 18 1 1 A 45 45 GLN H H 51 9.035 9.332 -0.297 1 1 502 . 18 1 1 A 45 45 GLN HA H 51 3.774 3.914 -0.140 1 1 509 . 18 1 1 A 45 45 GLN C C 51 175.259 174.852 0.407 1 1 510 . 18 1 1 A 45 45 GLN CA C 51 56.074 56.722 -0.648 1 1 511 . 18 1 1 A 45 45 GLN CB C 51 27.339 27.521 -0.182 1 1 513 . 18 1 1 A 45 45 GLN N N 51 116.299 122.622 -6.323 1 1 515 . 18 1 1 A 46 46 GLY H H 52 8.441 8.381 0.060 1 1 516 . 18 1 1 A 46 46 GLY HA2 H 52 4.066 3.835 0.231 1 1 517 . 18 1 1 A 46 46 GLY HA3 H 52 3.510 3.837 -0.327 1 1 518 . 18 1 1 A 46 46 GLY C C 52 173.050 173.986 -0.936 1 1 519 . 18 1 1 A 46 46 GLY CA C 52 44.998 45.045 -0.047 1 1 520 . 18 1 1 A 46 46 GLY N N 52 105.419 105.348 0.071 1 1 521 . 18 1 1 A 47 47 ALA H H 53 8.152 7.504 0.648 1 1 522 . 18 1 1 A 47 47 ALA HA H 53 4.767 4.612 0.155 1 1 526 . 18 1 1 A 47 47 ALA C C 53 175.989 176.603 -0.614 1 1 527 . 18 1 1 A 47 47 ALA CA C 53 49.918 51.533 -1.615 1 1 528 . 18 1 1 A 47 47 ALA CB C 53 22.720 20.751 1.969 1 1 529 . 18 1 1 A 47 47 ALA N N 53 124.355 123.968 0.387 1 1 530 . 18 1 1 A 48 48 GLU H H 54 8.156 9.027 -0.871 1 1 531 . 18 1 1 A 48 48 GLU HA H 54 5.488 5.273 0.215 1 1 536 . 18 1 1 A 48 48 GLU C C 54 174.224 173.741 0.483 1 1 537 . 18 1 1 A 48 48 GLU CA C 54 54.346 54.673 -0.327 1 1 538 . 18 1 1 A 48 48 GLU CB C 54 34.305 33.906 0.399 1 1 540 . 18 1 1 A 48 48 GLU N N 54 116.655 116.671 -0.016 1 1 541 . 18 1 1 A 49 49 LYS H H 55 8.852 9.134 -0.282 1 1 542 . 18 1 1 A 49 49 LYS HA H 55 4.190 4.921 -0.731 1 1 549 . 18 1 1 A 49 49 LYS C C 55 172.887 174.462 -1.575 1 1 550 . 18 1 1 A 49 49 LYS CA C 55 56.414 54.841 1.573 1 1 551 . 18 1 1 A 49 49 LYS CB C 55 34.723 36.138 -1.415 1 1 554 . 18 1 1 A 49 49 LYS N N 55 122.922 120.720 2.202 1 1 555 . 18 1 1 A 50 50 THR H H 56 7.910 8.663 -0.753 1 1 556 . 18 1 1 A 50 50 THR HA H 56 4.908 5.168 -0.260 1 1 561 . 18 1 1 A 50 50 THR C C 56 173.112 173.369 -0.257 1 1 562 . 18 1 1 A 50 50 THR CA C 56 61.998 60.195 1.803 1 1 563 . 18 1 1 A 50 50 THR CB C 56 68.596 70.412 -1.816 1 1 565 . 18 1 1 A 50 50 THR N N 56 120.811 114.899 5.912 1 1 566 . 18 1 1 A 51 51 TYR H H 57 9.432 9.148 0.284 1 1 567 . 18 1 1 A 51 51 TYR HA H 57 4.493 5.351 -0.858 1 1 574 . 18 1 1 A 51 51 TYR C C 57 174.156 175.970 -1.814 1 1 575 . 18 1 1 A 51 51 TYR CA C 57 57.375 55.678 1.697 1 1 576 . 18 1 1 A 51 51 TYR CB C 57 41.895 42.503 -0.608 1 1 577 . 18 1 1 A 51 51 TYR N N 57 127.372 121.027 6.345 1 1 578 . 18 1 1 A 52 52 GLY H H 58 9.154 8.426 0.728 1 1 579 . 18 1 1 A 52 52 GLY HA2 H 58 3.543 4.256 -0.713 1 1 580 . 18 1 1 A 52 52 GLY HA3 H 58 3.543 4.262 -0.719 1 1 581 . 18 1 1 A 52 52 GLY C C 58 172.527 173.023 -0.496 1 1 582 . 18 1 1 A 52 52 GLY CA C 58 42.304 45.966 -3.662 1 1 583 . 18 1 1 A 52 52 GLY N N 58 108.920 109.448 -0.528 1 1 584 . 18 1 1 A 53 53 ASN H H 59 8.877 9.336 -0.459 1 1 585 . 18 1 1 A 53 53 ASN HA H 59 4.034 4.434 -0.400 1 1 588 . 18 1 1 A 53 53 ASN C C 59 176.319 175.639 0.680 1 1 589 . 18 1 1 A 53 53 ASN CA C 59 57.108 54.344 2.764 1 1 590 . 18 1 1 A 53 53 ASN CB C 59 39.672 36.976 2.696 1 1 591 . 18 1 1 A 53 53 ASN N N 59 117.281 117.978 -0.697 1 1 592 . 18 1 1 A 54 54 GLY H H 60 8.949 8.580 0.369 1 1 593 . 18 1 1 A 54 54 GLY HA2 H 60 4.222 4.012 0.210 1 1 594 . 18 1 1 A 54 54 GLY HA3 H 60 3.348 4.026 -0.678 1 1 595 . 18 1 1 A 54 54 GLY C C 60 174.096 172.390 1.706 1 1 596 . 18 1 1 A 54 54 GLY CA C 60 44.931 44.621 0.310 1 1 597 . 18 1 1 A 54 54 GLY N N 60 114.860 104.967 9.893 1 1 598 . 18 1 1 A 55 55 ASP H H 61 7.991 7.936 0.055 1 1 599 . 18 1 1 A 55 55 ASP HA H 61 4.493 4.957 -0.464 1 1 602 . 18 1 1 A 55 55 ASP C C 61 174.727 174.391 0.336 1 1 603 . 18 1 1 A 55 55 ASP CA C 61 54.408 52.849 1.559 1 1 604 . 18 1 1 A 55 55 ASP CB C 61 41.780 42.315 -0.535 1 1 605 . 18 1 1 A 55 55 ASP N N 61 121.974 124.320 -2.346 1 1 606 . 18 1 1 A 56 56 SER H H 62 8.485 8.219 0.266 1 1 607 . 18 1 1 A 56 56 SER HA H 62 4.959 5.050 -0.091 1 1 610 . 18 1 1 A 56 56 SER C C 62 173.099 172.493 0.606 1 1 611 . 18 1 1 A 56 56 SER CA C 62 57.154 57.354 -0.200 1 1 612 . 18 1 1 A 56 56 SER CB C 62 64.522 66.104 -1.582 1 1 613 . 18 1 1 A 56 56 SER N N 62 113.088 115.457 -2.369 1 1 614 . 18 1 1 A 57 57 LEU H H 63 9.004 8.851 0.153 1 1 615 . 18 1 1 A 57 57 LEU HA H 63 4.500 4.752 -0.252 1 1 625 . 18 1 1 A 57 57 LEU C C 63 175.943 175.035 0.908 1 1 626 . 18 1 1 A 57 57 LEU CA C 63 53.070 54.199 -1.129 1 1 627 . 18 1 1 A 57 57 LEU CB C 63 43.800 44.395 -0.595 1 1 630 . 18 1 1 A 57 57 LEU N N 63 126.423 122.667 3.756 1 1 631 . 18 1 1 A 58 58 ASN H H 64 8.484 8.890 -0.406 1 1 632 . 18 1 1 A 58 58 ASN HA H 64 4.752 4.873 -0.121 1 1 635 . 18 1 1 A 58 58 ASN C C 64 173.916 176.445 -2.529 1 1 636 . 18 1 1 A 58 58 ASN CA C 64 50.587 53.642 -3.055 1 1 637 . 18 1 1 A 58 58 ASN CB C 64 35.153 38.840 -3.687 1 1 638 . 18 1 1 A 58 58 ASN N N 64 125.624 125.173 0.451 1 1 639 . 18 1 1 A 59 59 THR H H 65 7.747 8.597 -0.850 1 1 640 . 18 1 1 A 59 59 THR HA H 65 4.770 4.680 0.090 1 1 645 . 18 1 1 A 59 59 THR C C 65 177.245 174.978 2.267 1 1 646 . 18 1 1 A 59 59 THR CA C 65 63.213 61.070 2.143 1 1 647 . 18 1 1 A 59 59 THR CB C 65 63.510 69.802 -6.292 1 1 649 . 18 1 1 A 59 59 THR N N 65 113.770 113.646 0.124 1 1 650 . 18 1 1 A 60 60 GLY H H 66 8.869 7.894 0.975 1 1 651 . 18 1 1 A 60 60 GLY HA2 H 66 3.839 3.867 -0.028 1 1 652 . 18 1 1 A 60 60 GLY HA3 H 66 3.724 3.873 -0.149 1 1 653 . 18 1 1 A 60 60 GLY C C 66 173.279 174.409 -1.130 1 1 654 . 18 1 1 A 60 60 GLY CA C 66 44.892 46.502 -1.610 1 1 655 . 18 1 1 A 60 60 GLY N N 66 114.430 112.158 2.272 1 1 656 . 18 1 1 A 61 61 LYS H H 67 6.376 8.728 -2.352 1 1 657 . 18 1 1 A 61 61 LYS HA H 67 4.021 4.570 -0.549 1 1 666 . 18 1 1 A 61 61 LYS C C 67 176.315 176.783 -0.468 1 1 667 . 18 1 1 A 61 61 LYS CA C 67 54.298 55.471 -1.173 1 1 668 . 18 1 1 A 61 61 LYS CB C 67 32.200 32.964 -0.764 1 1 672 . 18 1 1 A 61 61 LYS N N 67 112.620 124.930 -12.310 1 1 673 . 18 1 1 A 62 62 LEU H H 68 7.335 7.494 -0.159 1 1 674 . 18 1 1 A 62 62 LEU HA H 68 4.275 4.177 0.098 1 1 684 . 18 1 1 A 62 62 LEU C C 68 176.306 176.789 -0.483 1 1 685 . 18 1 1 A 62 62 LEU CA C 68 52.479 56.663 -4.184 1 1 686 . 18 1 1 A 62 62 LEU CB C 68 40.600 42.852 -2.252 1 1 689 . 18 1 1 A 62 62 LEU N N 68 116.704 124.202 -7.498 1 1 690 . 18 1 1 A 63 63 LYS H H 69 8.506 7.789 0.717 1 1 691 . 18 1 1 A 63 63 LYS HA H 69 3.992 4.729 -0.737 1 1 700 . 18 1 1 A 63 63 LYS C C 69 175.886 175.768 0.118 1 1 701 . 18 1 1 A 63 63 LYS CA C 69 54.986 55.023 -0.037 1 1 702 . 18 1 1 A 63 63 LYS CB C 69 32.447 36.211 -3.764 1 1 706 . 18 1 1 A 63 63 LYS N N 69 119.841 117.395 2.446 1 1 707 . 18 1 1 A 64 64 ASN H H 70 8.080 8.471 -0.391 1 1 708 . 18 1 1 A 64 64 ASN HA H 70 3.839 4.615 -0.776 1 1 713 . 18 1 1 A 64 64 ASN C C 70 174.449 175.711 -1.262 1 1 714 . 18 1 1 A 64 64 ASN CA C 70 54.417 55.408 -0.991 1 1 715 . 18 1 1 A 64 64 ASN CB C 70 38.129 38.279 -0.150 1 1 716 . 18 1 1 A 64 64 ASN N N 70 121.515 121.046 0.469 1 1 718 . 18 1 1 A 65 65 ASP H H 71 9.218 7.766 1.452 1 1 719 . 18 1 1 A 65 65 ASP HA H 71 3.690 5.341 -1.651 1 1 722 . 18 1 1 A 65 65 ASP C C 71 173.016 175.633 -2.617 1 1 723 . 18 1 1 A 65 65 ASP CA C 71 54.726 53.224 1.502 1 1 724 . 18 1 1 A 65 65 ASP CB C 71 38.534 40.700 -2.166 1 1 725 . 18 1 1 A 65 65 ASP N N 71 113.370 113.367 0.003 1 1 726 . 18 1 1 A 66 66 LYS H H 72 6.443 8.210 -1.767 1 1 727 . 18 1 1 A 66 66 LYS HA H 72 4.411 4.777 -0.366 1 1 734 . 18 1 1 A 66 66 LYS C C 72 174.745 174.658 0.087 1 1 735 . 18 1 1 A 66 66 LYS CA C 72 53.094 54.509 -1.415 1 1 736 . 18 1 1 A 66 66 LYS CB C 72 36.099 35.835 0.264 1 1 739 . 18 1 1 A 66 66 LYS N N 72 113.415 117.393 -3.978 1 1 740 . 18 1 1 A 67 67 VAL H H 73 8.679 8.248 0.431 1 1 741 . 18 1 1 A 67 67 VAL HA H 73 4.189 3.673 0.516 1 1 749 . 18 1 1 A 67 67 VAL C C 73 176.630 175.628 1.002 1 1 750 . 18 1 1 A 67 67 VAL CA C 73 62.135 62.661 -0.526 1 1 751 . 18 1 1 A 67 67 VAL CB C 73 32.001 30.761 1.240 1 1 753 . 18 1 1 A 67 67 VAL N N 73 122.098 121.398 0.700 1 1 754 . 18 1 1 A 68 68 SER H H 74 9.497 8.861 0.636 1 1 755 . 18 1 1 A 68 68 SER HA H 74 4.507 4.816 -0.309 1 1 758 . 18 1 1 A 68 68 SER C C 74 172.249 174.211 -1.962 1 1 759 . 18 1 1 A 68 68 SER CA C 74 58.323 58.294 0.029 1 1 760 . 18 1 1 A 68 68 SER CB C 74 64.028 64.462 -0.434 1 1 761 . 18 1 1 A 68 68 SER N N 74 127.048 123.458 3.590 1 1 762 . 18 1 1 A 69 69 ARG H H 75 7.848 8.322 -0.474 1 1 763 . 18 1 1 A 69 69 ARG HA H 75 5.031 4.785 0.246 1 1 770 . 18 1 1 A 69 69 ARG C C 75 173.300 175.336 -2.036 1 1 771 . 18 1 1 A 69 69 ARG CA C 75 55.337 55.721 -0.384 1 1 772 . 18 1 1 A 69 69 ARG CB C 75 31.871 31.189 0.682 1 1 775 . 18 1 1 A 69 69 ARG N N 75 122.621 122.514 0.107 1 1 776 . 18 1 1 A 70 70 PHE H H 76 9.246 8.718 0.528 1 1 777 . 18 1 1 A 70 70 PHE HA H 76 4.808 4.958 -0.150 1 1 784 . 18 1 1 A 70 70 PHE C C 76 175.788 174.175 1.613 1 1 785 . 18 1 1 A 70 70 PHE CA C 76 55.245 56.598 -1.353 1 1 786 . 18 1 1 A 70 70 PHE CB C 76 43.645 43.595 0.050 1 1 787 . 18 1 1 A 70 70 PHE N N 76 118.087 119.456 -1.369 1 1 788 . 18 1 1 A 71 71 ASP H H 77 9.144 9.186 -0.042 1 1 789 . 18 1 1 A 71 71 ASP HA H 77 5.360 5.627 -0.267 1 1 792 . 18 1 1 A 71 71 ASP C C 77 176.477 175.699 0.778 1 1 793 . 18 1 1 A 71 71 ASP CA C 77 55.131 52.871 2.260 1 1 794 . 18 1 1 A 71 71 ASP CB C 77 41.301 43.433 -2.132 1 1 795 . 18 1 1 A 71 71 ASP N N 77 123.565 121.099 2.466 1 1 796 . 18 1 1 A 72 72 PHE H H 78 9.094 8.826 0.268 1 1 797 . 18 1 1 A 72 72 PHE HA H 78 6.431 5.495 0.936 1 1 805 . 18 1 1 A 72 72 PHE C C 78 174.014 173.007 1.007 1 1 806 . 18 1 1 A 72 72 PHE CA C 78 54.934 56.032 -1.098 1 1 807 . 18 1 1 A 72 72 PHE CB C 78 42.491 42.810 -0.319 1 1 808 . 18 1 1 A 72 72 PHE N N 78 119.663 117.679 1.984 1 1 809 . 18 1 1 A 73 73 ILE H H 79 8.623 9.029 -0.406 1 1 810 . 18 1 1 A 73 73 ILE HA H 79 4.334 4.869 -0.535 1 1 820 . 18 1 1 A 73 73 ILE C C 79 173.961 174.729 -0.768 1 1 821 . 18 1 1 A 73 73 ILE CA C 79 61.222 58.923 2.299 1 1 822 . 18 1 1 A 73 73 ILE CB C 79 41.918 42.046 -0.128 1 1 826 . 18 1 1 A 73 73 ILE N N 79 119.750 117.332 2.418 1 1 827 . 18 1 1 A 74 74 ARG H H 80 9.052 8.198 0.854 1 1 828 . 18 1 1 A 74 74 ARG HA H 80 5.311 5.008 0.303 1 1 835 . 18 1 1 A 74 74 ARG C C 80 174.870 175.445 -0.575 1 1 836 . 18 1 1 A 74 74 ARG CA C 80 54.449 55.292 -0.843 1 1 837 . 18 1 1 A 74 74 ARG CB C 80 33.740 32.617 1.123 1 1 840 . 18 1 1 A 74 74 ARG N N 80 128.407 122.522 5.885 1 1 841 . 18 1 1 A 75 75 GLN H H 81 9.304 8.702 0.602 1 1 842 . 18 1 1 A 75 75 GLN HA H 81 5.562 4.871 0.691 1 1 849 . 18 1 1 A 75 75 GLN C C 81 173.678 173.730 -0.052 1 1 850 . 18 1 1 A 75 75 GLN CA C 81 53.745 55.643 -1.898 1 1 851 . 18 1 1 A 75 75 GLN CB C 81 34.013 32.773 1.240 1 1 853 . 18 1 1 A 75 75 GLN N N 81 125.481 120.141 5.340 1 1 855 . 18 1 1 A 76 76 ILE H H 82 8.592 8.717 -0.125 1 1 856 . 18 1 1 A 76 76 ILE HA H 82 4.576 4.797 -0.221 1 1 866 . 18 1 1 A 76 76 ILE C C 82 172.511 173.560 -1.049 1 1 867 . 18 1 1 A 76 76 ILE CA C 82 59.622 59.701 -0.079 1 1 868 . 18 1 1 A 76 76 ILE CB C 82 42.248 41.891 0.357 1 1 872 . 18 1 1 A 76 76 ILE N N 82 115.536 125.662 -10.126 1 1 873 . 18 1 1 A 77 77 GLU H H 83 8.433 8.744 -0.311 1 1 874 . 18 1 1 A 77 77 GLU HA H 83 4.936 4.702 0.234 1 1 879 . 18 1 1 A 77 77 GLU C C 83 175.614 175.516 0.098 1 1 880 . 18 1 1 A 77 77 GLU CA C 83 54.812 55.242 -0.430 1 1 881 . 18 1 1 A 77 77 GLU CB C 83 30.465 28.029 2.436 1 1 883 . 18 1 1 A 77 77 GLU N N 83 124.858 129.738 -4.880 1 1 884 . 18 1 1 A 78 78 VAL H H 84 8.879 7.302 1.577 1 1 885 . 18 1 1 A 78 78 VAL HA H 84 4.076 3.990 0.086 1 1 893 . 18 1 1 A 78 78 VAL C C 84 175.694 175.504 0.190 1 1 894 . 18 1 1 A 78 78 VAL CA C 84 61.382 62.617 -1.235 1 1 895 . 18 1 1 A 78 78 VAL CB C 84 34.014 31.751 2.263 1 1 897 . 18 1 1 A 78 78 VAL N N 84 126.973 119.742 7.231 1 1 898 . 18 1 1 A 79 79 ASP H H 85 9.329 9.509 -0.180 1 1 899 . 18 1 1 A 79 79 ASP HA H 85 4.156 4.330 -0.174 1 1 902 . 18 1 1 A 79 79 ASP C C 85 175.774 176.315 -0.541 1 1 903 . 18 1 1 A 79 79 ASP CA C 85 55.125 55.467 -0.342 1 1 904 . 18 1 1 A 79 79 ASP CB C 85 38.926 39.548 -0.622 1 1 905 . 18 1 1 A 79 79 ASP N N 85 129.387 121.834 7.553 1 1 906 . 18 1 1 A 80 80 GLY H H 86 8.575 8.543 0.032 1 1 907 . 18 1 1 A 80 80 GLY HA2 H 86 3.992 3.857 0.135 1 1 908 . 18 1 1 A 80 80 GLY HA3 H 86 3.507 3.858 -0.351 1 1 909 . 18 1 1 A 80 80 GLY C C 86 173.366 173.775 -0.409 1 1 910 . 18 1 1 A 80 80 GLY CA C 86 44.759 45.503 -0.744 1 1 911 . 18 1 1 A 80 80 GLY N N 86 103.293 104.772 -1.479 1 1 912 . 18 1 1 A 81 81 GLN H H 87 7.751 7.993 -0.242 1 1 913 . 18 1 1 A 81 81 GLN HA H 87 4.482 4.851 -0.369 1 1 918 . 18 1 1 A 81 81 GLN C C 87 173.874 174.636 -0.762 1 1 919 . 18 1 1 A 81 81 GLN CA C 87 53.328 53.998 -0.670 1 1 920 . 18 1 1 A 81 81 GLN CB C 87 30.670 31.859 -1.189 1 1 922 . 18 1 1 A 81 81 GLN N N 87 119.688 118.908 0.780 1 1 923 . 18 1 1 A 82 82 LEU H H 88 8.418 9.106 -0.688 1 1 924 . 18 1 1 A 82 82 LEU HA H 88 4.630 5.101 -0.471 1 1 934 . 18 1 1 A 82 82 LEU C C 88 176.289 175.588 0.701 1 1 935 . 18 1 1 A 82 82 LEU CA C 88 53.834 53.676 0.158 1 1 936 . 18 1 1 A 82 82 LEU CB C 88 41.737 43.359 -1.622 1 1 940 . 18 1 1 A 82 82 LEU N N 88 123.523 122.253 1.270 1 1 941 . 18 1 1 A 83 83 ILE H H 89 9.146 9.200 -0.054 1 1 942 . 18 1 1 A 83 83 ILE HA H 89 4.249 4.675 -0.426 1 1 952 . 18 1 1 A 83 83 ILE C C 89 175.698 176.781 -1.083 1 1 953 . 18 1 1 A 83 83 ILE CA C 89 59.363 60.890 -1.527 1 1 954 . 18 1 1 A 83 83 ILE CB C 89 39.633 38.958 0.675 1 1 958 . 18 1 1 A 83 83 ILE N N 89 127.151 125.410 1.741 1 1 959 . 18 1 1 A 84 84 THR H H 90 8.656 8.632 0.024 1 1 960 . 18 1 1 A 84 84 THR HA H 90 4.203 4.738 -0.535 1 1 965 . 18 1 1 A 84 84 THR C C 90 172.890 174.933 -2.043 1 1 966 . 18 1 1 A 84 84 THR CA C 90 62.641 60.465 2.176 1 1 967 . 18 1 1 A 84 84 THR CB C 90 68.634 68.644 -0.010 1 1 969 . 18 1 1 A 84 84 THR N N 90 123.099 116.400 6.699 1 1 970 . 18 1 1 A 85 85 LEU H H 91 8.967 7.930 1.037 1 1 971 . 18 1 1 A 85 85 LEU HA H 91 4.256 4.612 -0.356 1 1 980 . 18 1 1 A 85 85 LEU C C 91 177.371 176.217 1.154 1 1 981 . 18 1 1 A 85 85 LEU CA C 91 55.527 54.261 1.266 1 1 982 . 18 1 1 A 85 85 LEU CB C 91 44.315 44.118 0.197 1 1 984 . 18 1 1 A 85 85 LEU N N 91 125.333 121.829 3.504 1 1 985 . 18 1 1 A 86 86 GLU H H 92 7.503 7.786 -0.283 1 1 986 . 18 1 1 A 86 86 GLU HA H 92 5.026 4.635 0.391 1 1 991 . 18 1 1 A 86 86 GLU C C 92 172.723 175.504 -2.781 1 1 992 . 18 1 1 A 86 86 GLU CA C 92 54.670 55.817 -1.147 1 1 993 . 18 1 1 A 86 86 GLU CB C 92 33.717 30.551 3.166 1 1 995 . 18 1 1 A 86 86 GLU N N 92 116.655 120.257 -3.602 1 1 996 . 18 1 1 A 87 87 SER H H 93 8.954 8.867 0.087 1 1 997 . 18 1 1 A 87 87 SER HA H 93 4.245 5.140 -0.895 1 1 1000 . 18 1 1 A 87 87 SER C C 93 172.763 172.864 -0.101 1 1 1001 . 18 1 1 A 87 87 SER CA C 93 57.328 56.331 0.997 1 1 1002 . 18 1 1 A 87 87 SER CB C 93 65.493 65.966 -0.473 1 1 1003 . 18 1 1 A 87 87 SER N N 93 117.941 119.525 -1.584 1 1 1004 . 18 1 1 A 88 88 GLY H H 94 6.932 8.007 -1.075 1 1 1005 . 18 1 1 A 88 88 GLY HA2 H 94 3.694 4.301 -0.607 1 1 1006 . 18 1 1 A 88 88 GLY HA3 H 94 3.694 4.344 -0.650 1 1 1007 . 18 1 1 A 88 88 GLY C C 94 171.117 172.016 -0.899 1 1 1008 . 18 1 1 A 88 88 GLY CA C 94 46.575 46.050 0.525 1 1 1009 . 18 1 1 A 88 88 GLY N N 94 108.625 111.651 -3.026 1 1 1010 . 18 1 1 A 89 89 GLU H H 95 9.669 8.948 0.721 1 1 1011 . 18 1 1 A 89 89 GLU HA H 95 5.642 5.630 0.012 1 1 1016 . 18 1 1 A 89 89 GLU C C 95 173.226 175.280 -2.054 1 1 1017 . 18 1 1 A 89 89 GLU CA C 95 54.786 54.842 -0.056 1 1 1018 . 18 1 1 A 89 89 GLU CB C 95 34.334 33.860 0.474 1 1 1020 . 18 1 1 A 89 89 GLU N N 95 128.231 120.022 8.209 1 1 1021 . 18 1 1 A 90 90 PHE H H 96 10.365 8.946 1.419 1 1 1022 . 18 1 1 A 90 90 PHE HA H 96 5.048 4.926 0.122 1 1 1029 . 18 1 1 A 90 90 PHE C C 96 173.039 173.238 -0.199 1 1 1030 . 18 1 1 A 90 90 PHE CA C 96 54.616 57.526 -2.910 1 1 1031 . 18 1 1 A 90 90 PHE CB C 96 42.090 42.532 -0.442 1 1 1032 . 18 1 1 A 90 90 PHE N N 96 131.583 122.957 8.626 1 1 1033 . 18 1 1 A 91 91 GLN H H 97 8.685 8.432 0.253 1 1 1034 . 18 1 1 A 91 91 GLN HA H 97 4.959 5.133 -0.174 1 1 1041 . 18 1 1 A 91 91 GLN C C 97 174.151 174.774 -0.623 1 1 1042 . 18 1 1 A 91 91 GLN CA C 97 53.174 54.291 -1.117 1 1 1043 . 18 1 1 A 91 91 GLN CB C 97 28.812 31.025 -2.213 1 1 1045 . 18 1 1 A 91 91 GLN N N 97 126.465 125.671 0.794 1 1 1047 . 18 1 1 A 92 92 VAL H H 98 8.675 8.953 -0.278 1 1 1048 . 18 1 1 A 92 92 VAL HA H 98 4.569 4.608 -0.039 1 1 1056 . 18 1 1 A 92 92 VAL C C 98 173.802 174.139 -0.337 1 1 1057 . 18 1 1 A 92 92 VAL CA C 98 59.715 61.479 -1.764 1 1 1058 . 18 1 1 A 92 92 VAL CB C 98 35.074 33.293 1.781 1 1 1061 . 18 1 1 A 92 92 VAL N N 98 118.841 125.523 -6.682 1 1 1062 . 18 1 1 A 93 93 TYR H H 99 8.896 9.152 -0.256 1 1 1063 . 18 1 1 A 93 93 TYR HA H 99 4.940 4.816 0.124 1 1 1070 . 18 1 1 A 93 93 TYR C C 99 173.330 175.087 -1.757 1 1 1071 . 18 1 1 A 93 93 TYR CA C 99 56.948 56.708 0.240 1 1 1072 . 18 1 1 A 93 93 TYR CB C 99 40.780 39.439 1.341 1 1 1073 . 18 1 1 A 93 93 TYR N N 99 127.563 129.727 -2.164 1 1 1074 . 18 1 1 A 94 94 LYS H H 100 5.813 9.366 -3.553 1 1 1075 . 18 1 1 A 94 94 LYS HA H 100 4.248 4.833 -0.585 1 1 1082 . 18 1 1 A 94 94 LYS CA C 100 55.660 56.387 -0.727 1 1 1083 . 18 1 1 A 94 94 LYS CB C 100 35.870 33.519 2.351 1 1 1084 . 18 1 1 A 94 94 LYS N N 100 128.378 126.978 1.400 1 1 1085 . 18 1 1 A 95 95 GLN H H 101 8.438 8.373 0.065 1 1 1086 . 18 1 1 A 95 95 GLN HA H 101 5.028 4.805 0.223 1 1 1091 . 18 1 1 A 95 95 GLN C C 101 174.080 175.661 -1.581 1 1 1092 . 18 1 1 A 95 95 GLN CA C 101 54.043 53.954 0.089 1 1 1093 . 18 1 1 A 95 95 GLN CB C 101 27.209 32.485 -5.276 1 1 1095 . 18 1 1 A 95 95 GLN N N 101 125.809 122.779 3.030 1 1 1096 . 18 1 1 A 96 96 SER H H 102 9.057 9.221 -0.164 1 1 1097 . 18 1 1 A 96 96 SER HA H 102 3.041 4.304 -1.263 1 1 1100 . 18 1 1 A 96 96 SER CA C 102 62.985 61.684 1.301 1 1 1101 . 18 1 1 A 96 96 SER CB C 102 63.242 63.624 -0.382 1 1 1102 . 18 1 1 A 96 96 SER N N 102 117.650 116.357 1.293 1 1 1103 . 18 1 1 A 97 97 HIS H H 103 10.115 8.212 1.903 1 1 1104 . 18 1 1 A 97 97 HIS HA H 103 4.406 4.783 -0.377 1 1 1109 . 18 1 1 A 97 97 HIS CA C 103 53.809 55.699 -1.890 1 1 1110 . 18 1 1 A 97 97 HIS CB C 103 30.329 31.144 -0.815 1 1 1111 . 18 1 1 A 97 97 HIS N N 103 118.385 114.478 3.907 1 1 1112 . 18 1 1 A 98 98 SER H H 104 7.241 7.756 -0.515 1 1 1113 . 18 1 1 A 98 98 SER HA H 104 4.406 4.706 -0.300 1 1 1116 . 18 1 1 A 98 98 SER CA C 104 56.712 57.287 -0.575 1 1 1117 . 18 1 1 A 98 98 SER CB C 104 65.461 65.916 -0.455 1 1 1118 . 18 1 1 A 98 98 SER N N 104 112.298 112.478 -0.180 1 1 1119 . 18 1 1 A 99 99 ALA H H 105 8.418 8.562 -0.144 1 1 1120 . 18 1 1 A 99 99 ALA HA H 105 4.753 5.178 -0.425 1 1 1124 . 18 1 1 A 99 99 ALA C C 105 173.181 175.985 -2.804 1 1 1125 . 18 1 1 A 99 99 ALA CA C 105 51.363 51.728 -0.365 1 1 1126 . 18 1 1 A 99 99 ALA CB C 105 22.271 23.366 -1.095 1 1 1127 . 18 1 1 A 99 99 ALA N N 105 116.790 121.424 -4.634 1 1 1128 . 18 1 1 A 100 100 LEU H H 106 8.376 8.743 -0.367 1 1 1129 . 18 1 1 A 100 100 LEU HA H 106 5.549 5.295 0.254 1 1 1139 . 18 1 1 A 100 100 LEU C C 106 175.338 174.757 0.581 1 1 1140 . 18 1 1 A 100 100 LEU CA C 106 53.753 53.006 0.747 1 1 1141 . 18 1 1 A 100 100 LEU CB C 106 46.393 46.345 0.048 1 1 1145 . 18 1 1 A 100 100 LEU N N 106 115.214 117.415 -2.201 1 1 1146 . 18 1 1 A 101 101 THR H H 107 8.685 8.979 -0.294 1 1 1147 . 18 1 1 A 101 101 THR HA H 107 5.287 5.203 0.084 1 1 1152 . 18 1 1 A 101 101 THR C C 107 172.493 172.878 -0.385 1 1 1153 . 18 1 1 A 101 101 THR CA C 107 57.069 59.510 -2.441 1 1 1154 . 18 1 1 A 101 101 THR CB C 107 71.308 71.771 -0.463 1 1 1156 . 18 1 1 A 101 101 THR N N 107 109.441 115.995 -6.554 1 1 1157 . 18 1 1 A 102 102 ALA H H 108 8.459 8.268 0.191 1 1 1158 . 18 1 1 A 102 102 ALA HA H 108 4.366 5.221 -0.855 1 1 1162 . 18 1 1 A 102 102 ALA C C 108 173.439 175.973 -2.534 1 1 1163 . 18 1 1 A 102 102 ALA CA C 108 51.015 50.452 0.563 1 1 1164 . 18 1 1 A 102 102 ALA CB C 108 23.424 23.694 -0.270 1 1 1165 . 18 1 1 A 102 102 ALA N N 108 120.716 127.074 -6.358 1 1 1166 . 18 1 1 A 103 103 PHE H H 109 8.510 8.898 -0.388 1 1 1167 . 18 1 1 A 103 103 PHE HA H 109 4.715 5.219 -0.504 1 1 1175 . 18 1 1 A 103 103 PHE C C 109 174.173 175.084 -0.911 1 1 1176 . 18 1 1 A 103 103 PHE CA C 109 56.640 56.420 0.220 1 1 1177 . 18 1 1 A 103 103 PHE CB C 109 41.926 41.790 0.136 1 1 1178 . 18 1 1 A 103 103 PHE N N 109 115.041 118.855 -3.814 1 1 1179 . 18 1 1 A 104 104 GLN H H 110 9.832 8.618 1.214 1 1 1180 . 18 1 1 A 104 104 GLN HA H 110 5.226 5.442 -0.216 1 1 1187 . 18 1 1 A 104 104 GLN C C 110 175.186 174.669 0.517 1 1 1188 . 18 1 1 A 104 104 GLN CA C 110 53.213 54.781 -1.568 1 1 1189 . 18 1 1 A 104 104 GLN CB C 110 29.161 32.318 -3.157 1 1 1191 . 18 1 1 A 104 104 GLN N N 110 124.526 120.415 4.111 1 1 1193 . 18 1 1 A 105 105 THR H H 111 9.566 8.614 0.952 1 1 1194 . 18 1 1 A 105 105 THR HA H 111 4.186 5.219 -1.033 1 1 1199 . 18 1 1 A 105 105 THR C C 111 174.538 173.401 1.137 1 1 1200 . 18 1 1 A 105 105 THR CA C 111 66.408 60.295 6.113 1 1 1201 . 18 1 1 A 105 105 THR CB C 111 69.385 71.690 -2.305 1 1 1203 . 18 1 1 A 105 105 THR N N 111 126.760 116.977 9.783 1 1 1204 . 18 1 1 A 106 106 GLU H H 112 9.303 8.781 0.522 1 1 1205 . 18 1 1 A 106 106 GLU HA H 112 4.811 4.482 0.329 1 1 1210 . 18 1 1 A 106 106 GLU C C 112 177.397 175.915 1.482 1 1 1211 . 18 1 1 A 106 106 GLU CA C 112 56.227 56.949 -0.722 1 1 1212 . 18 1 1 A 106 106 GLU CB C 112 31.283 30.899 0.384 1 1 1214 . 18 1 1 A 106 106 GLU N N 112 121.685 126.360 -4.675 1 1 1215 . 18 1 1 A 107 107 GLN H H 113 7.954 7.980 -0.026 1 1 1216 . 18 1 1 A 107 107 GLN HA H 113 5.233 4.993 0.240 1 1 1221 . 18 1 1 A 107 107 GLN C C 113 173.999 174.790 -0.791 1 1 1222 . 18 1 1 A 107 107 GLN CA C 113 53.837 54.783 -0.946 1 1 1223 . 18 1 1 A 107 107 GLN CB C 113 32.543 29.942 2.601 1 1 1225 . 18 1 1 A 107 107 GLN N N 113 117.612 115.131 2.481 1 1 1226 . 18 1 1 A 108 108 ILE H H 114 8.969 8.443 0.526 1 1 1227 . 18 1 1 A 108 108 ILE HA H 114 4.907 4.936 -0.029 1 1 1237 . 18 1 1 A 108 108 ILE C C 114 174.089 174.426 -0.337 1 1 1238 . 18 1 1 A 108 108 ILE CA C 114 58.954 58.720 0.234 1 1 1239 . 18 1 1 A 108 108 ILE CB C 114 42.799 41.900 0.899 1 1 1243 . 18 1 1 A 108 108 ILE N N 114 115.049 121.062 -6.013 1 1 1244 . 18 1 1 A 109 109 GLN H H 115 7.421 8.518 -1.097 1 1 1245 . 18 1 1 A 109 109 GLN HA H 115 4.405 4.828 -0.423 1 1 1252 . 18 1 1 A 109 109 GLN C C 115 175.654 174.748 0.906 1 1 1253 . 18 1 1 A 109 109 GLN CA C 115 56.086 55.655 0.431 1 1 1254 . 18 1 1 A 109 109 GLN CB C 115 28.483 29.823 -1.340 1 1 1256 . 18 1 1 A 109 109 GLN N N 115 121.959 124.033 -2.074 1 1 1258 . 18 1 1 A 110 110 ASP H H 116 8.569 8.250 0.319 1 1 1259 . 18 1 1 A 110 110 ASP HA H 116 4.377 4.992 -0.615 1 1 1262 . 18 1 1 A 110 110 ASP C C 116 176.662 177.228 -0.566 1 1 1263 . 18 1 1 A 110 110 ASP CA C 116 53.511 53.175 0.336 1 1 1264 . 18 1 1 A 110 110 ASP CB C 116 41.187 42.892 -1.705 1 1 1265 . 18 1 1 A 110 110 ASP N N 116 125.621 125.810 -0.189 1 1 1266 . 18 1 1 A 111 111 SER H H 117 8.445 9.140 -0.695 1 1 1267 . 18 1 1 A 111 111 SER HA H 117 4.024 4.165 -0.141 1 1 1270 . 18 1 1 A 111 111 SER C C 117 174.783 176.345 -1.562 1 1 1271 . 18 1 1 A 111 111 SER CA C 117 60.782 61.312 -0.530 1 1 1272 . 18 1 1 A 111 111 SER CB C 117 62.560 63.063 -0.503 1 1 1273 . 18 1 1 A 111 111 SER N N 117 120.732 121.722 -0.990 1 1 1274 . 18 1 1 A 112 112 GLU H H 118 8.246 8.139 0.107 1 1 1275 . 18 1 1 A 112 112 GLU HA H 118 4.044 4.218 -0.174 1 1 1280 . 18 1 1 A 112 112 GLU C C 118 175.899 176.572 -0.673 1 1 1281 . 18 1 1 A 112 112 GLU CA C 118 56.016 58.536 -2.520 1 1 1282 . 18 1 1 A 112 112 GLU CB C 118 29.853 29.601 0.252 1 1 1284 . 18 1 1 A 112 112 GLU N N 118 119.367 120.398 -1.031 1 1 1285 . 18 1 1 A 113 113 HIS H H 119 7.418 7.981 -0.563 1 1 1286 . 18 1 1 A 113 113 HIS HA H 119 4.607 4.871 -0.264 1 1 1291 . 18 1 1 A 113 113 HIS C C 119 173.527 174.982 -1.455 1 1 1292 . 18 1 1 A 113 113 HIS CA C 119 54.515 54.750 -0.235 1 1 1293 . 18 1 1 A 113 113 HIS CB C 119 28.667 30.820 -2.153 1 1 1294 . 18 1 1 A 113 113 HIS N N 119 117.287 120.064 -2.777 1 1 1295 . 18 1 1 A 114 114 SER H H 120 8.398 8.173 0.225 1 1 1296 . 18 1 1 A 114 114 SER HA H 120 4.183 4.087 0.096 1 1 1299 . 18 1 1 A 114 114 SER C C 120 175.690 174.716 0.974 1 1 1300 . 18 1 1 A 114 114 SER CA C 120 59.149 59.008 0.141 1 1 1301 . 18 1 1 A 114 114 SER CB C 120 62.820 60.931 1.889 1 1 1302 . 18 1 1 A 114 114 SER N N 120 116.771 115.784 0.987 1 1 1303 . 18 1 1 A 115 115 GLY H H 121 8.733 8.064 0.669 1 1 1304 . 18 1 1 A 115 115 GLY HA2 H 121 4.052 4.090 -0.038 1 1 1305 . 18 1 1 A 115 115 GLY HA3 H 121 3.724 4.119 -0.395 1 1 1306 . 18 1 1 A 115 115 GLY C C 121 173.540 175.003 -1.463 1 1 1307 . 18 1 1 A 115 115 GLY CA C 121 44.692 45.506 -0.814 1 1 1308 . 18 1 1 A 115 115 GLY N N 121 112.197 108.770 3.427 1 1 1309 . 18 1 1 A 116 116 LYS H H 122 7.796 7.894 -0.098 1 1 1310 . 18 1 1 A 116 116 LYS HA H 122 4.465 4.404 0.061 1 1 1317 . 18 1 1 A 116 116 LYS C C 122 175.090 175.225 -0.135 1 1 1318 . 18 1 1 A 116 116 LYS CA C 122 55.122 55.955 -0.833 1 1 1319 . 18 1 1 A 116 116 LYS CB C 122 33.861 34.116 -0.255 1 1 1322 . 18 1 1 A 116 116 LYS N N 122 120.212 120.567 -0.355 1 1 1323 . 18 1 1 A 117 117 MET H H 123 8.348 8.527 -0.179 1 1 1324 . 18 1 1 A 117 117 MET HA H 123 5.082 5.126 -0.044 1 1 1332 . 18 1 1 A 117 117 MET C C 123 176.210 174.177 2.033 1 1 1333 . 18 1 1 A 117 117 MET CA C 123 52.928 54.413 -1.485 1 1 1334 . 18 1 1 A 117 117 MET CB C 123 33.841 35.789 -1.948 1 1 1337 . 18 1 1 A 117 117 MET N N 123 119.755 119.713 0.042 1 1 1338 . 18 1 1 A 118 118 VAL H H 124 9.242 8.869 0.373 1 1 1339 . 18 1 1 A 118 118 VAL HA H 124 4.469 4.761 -0.292 1 1 1347 . 18 1 1 A 118 118 VAL C C 124 173.967 175.803 -1.836 1 1 1348 . 18 1 1 A 118 118 VAL CA C 124 59.056 61.355 -2.299 1 1 1349 . 18 1 1 A 118 118 VAL CB C 124 34.376 33.265 1.111 1 1 1351 . 18 1 1 A 118 118 VAL N N 124 118.546 126.077 -7.531 1 1 1352 . 18 1 1 A 119 119 ALA H H 125 8.327 8.696 -0.369 1 1 1353 . 18 1 1 A 119 119 ALA HA H 125 4.624 4.275 0.349 1 1 1357 . 18 1 1 A 119 119 ALA C C 125 177.165 177.100 0.065 1 1 1358 . 18 1 1 A 119 119 ALA CA C 125 52.043 52.427 -0.384 1 1 1359 . 18 1 1 A 119 119 ALA CB C 125 18.232 19.296 -1.064 1 1 1360 . 18 1 1 A 119 119 ALA N N 125 125.947 130.583 -4.636 1 1 1361 . 18 1 1 A 120 120 LYS H H 126 7.604 8.417 -0.813 1 1 1362 . 18 1 1 A 120 120 LYS HA H 126 4.046 4.498 -0.452 1 1 1371 . 18 1 1 A 120 120 LYS C C 126 172.631 176.857 -4.226 1 1 1372 . 18 1 1 A 120 120 LYS CA C 126 56.023 56.513 -0.490 1 1 1373 . 18 1 1 A 120 120 LYS CB C 126 34.482 32.562 1.920 1 1 1377 . 18 1 1 A 120 120 LYS N N 126 126.149 121.658 4.491 1 1 1378 . 18 1 1 A 121 121 ARG H H 127 8.308 8.668 -0.360 1 1 1379 . 18 1 1 A 121 121 ARG HA H 127 4.901 4.698 0.203 1 1 1384 . 18 1 1 A 121 121 ARG C C 127 176.253 175.611 0.642 1 1 1385 . 18 1 1 A 121 121 ARG CA C 127 55.564 55.791 -0.227 1 1 1386 . 18 1 1 A 121 121 ARG CB C 127 28.273 31.492 -3.219 1 1 1388 . 18 1 1 A 121 121 ARG N N 127 122.760 120.571 2.189 1 1 1389 . 18 1 1 A 122 122 GLN H H 128 7.529 7.343 0.186 1 1 1390 . 18 1 1 A 122 122 GLN HA H 128 4.541 4.597 -0.056 1 1 1397 . 18 1 1 A 122 122 GLN C C 128 172.163 174.633 -2.470 1 1 1398 . 18 1 1 A 122 122 GLN CA C 128 54.218 54.595 -0.377 1 1 1399 . 18 1 1 A 122 122 GLN CB C 128 32.064 28.836 3.228 1 1 1401 . 18 1 1 A 122 122 GLN N N 128 121.022 121.635 -0.613 1 1 1403 . 18 1 1 A 123 123 PHE H H 129 8.620 8.808 -0.188 1 1 1404 . 18 1 1 A 123 123 PHE HA H 129 6.040 5.096 0.944 1 1 1411 . 18 1 1 A 123 123 PHE C C 129 174.530 174.930 -0.400 1 1 1412 . 18 1 1 A 123 123 PHE CA C 129 56.026 58.617 -2.591 1 1 1413 . 18 1 1 A 123 123 PHE CB C 129 42.143 40.544 1.599 1 1 1414 . 18 1 1 A 123 123 PHE N N 129 125.540 128.639 -3.099 1 1 1415 . 18 1 1 A 124 124 ARG H H 130 8.018 7.689 0.329 1 1 1416 . 18 1 1 A 124 124 ARG HA H 130 4.366 4.211 0.155 1 1 1423 . 18 1 1 A 124 124 ARG C C 130 172.139 173.819 -1.680 1 1 1424 . 18 1 1 A 124 124 ARG CA C 130 53.422 54.104 -0.682 1 1 1425 . 18 1 1 A 124 124 ARG CB C 130 32.310 34.223 -1.913 1 1 1428 . 18 1 1 A 124 124 ARG N N 130 125.264 125.804 -0.540 1 1 1429 . 18 1 1 A 125 125 ILE H H 131 8.462 8.228 0.234 1 1 1430 . 18 1 1 A 125 125 ILE HA H 131 3.883 4.209 -0.326 1 1 1440 . 18 1 1 A 125 125 ILE C C 131 175.487 175.003 0.484 1 1 1441 . 18 1 1 A 125 125 ILE CA C 131 58.339 61.765 -3.426 1 1 1442 . 18 1 1 A 125 125 ILE CB C 131 35.673 38.810 -3.137 1 1 1446 . 18 1 1 A 125 125 ILE N N 131 121.887 124.830 -2.943 1 1 1447 . 18 1 1 A 126 126 GLY H H 132 8.814 8.035 0.779 1 1 1448 . 18 1 1 A 126 126 GLY HA2 H 132 4.062 4.283 -0.221 1 1 1449 . 18 1 1 A 126 126 GLY HA3 H 132 4.062 4.318 -0.256 1 1 1450 . 18 1 1 A 126 126 GLY C C 132 171.583 173.202 -1.619 1 1 1451 . 18 1 1 A 126 126 GLY CA C 132 44.157 44.709 -0.552 1 1 1452 . 18 1 1 A 126 126 GLY N N 132 115.675 114.241 1.434 1 1 1453 . 18 1 1 A 127 127 ASP H H 133 7.914 8.649 -0.735 1 1 1454 . 18 1 1 A 127 127 ASP HA H 133 4.584 4.716 -0.132 1 1 1457 . 18 1 1 A 127 127 ASP C C 133 174.132 175.995 -1.863 1 1 1458 . 18 1 1 A 127 127 ASP CA C 133 54.822 55.043 -0.221 1 1 1459 . 18 1 1 A 127 127 ASP CB C 133 45.407 41.343 4.064 1 1 1460 . 18 1 1 A 127 127 ASP N N 133 123.737 121.069 2.668 1 1 1461 . 18 1 1 A 128 128 ILE H H 134 8.258 8.668 -0.410 1 1 1462 . 18 1 1 A 128 128 ILE HA H 134 4.392 4.931 -0.539 1 1 1472 . 18 1 1 A 128 128 ILE C C 134 174.799 175.183 -0.384 1 1 1473 . 18 1 1 A 128 128 ILE CA C 134 61.596 59.887 1.709 1 1 1474 . 18 1 1 A 128 128 ILE CB C 134 37.549 40.949 -3.400 1 1 1478 . 18 1 1 A 128 128 ILE N N 134 119.105 122.813 -3.708 1 1 1479 . 18 1 1 A 129 129 ALA H H 135 8.607 8.677 -0.070 1 1 1480 . 18 1 1 A 129 129 ALA HA H 135 4.757 5.332 -0.575 1 1 1484 . 18 1 1 A 129 129 ALA C C 135 173.358 176.465 -3.107 1 1 1485 . 18 1 1 A 129 129 ALA CA C 135 50.608 50.431 0.177 1 1 1486 . 18 1 1 A 129 129 ALA CB C 135 23.348 22.721 0.627 1 1 1487 . 18 1 1 A 129 129 ALA N N 135 129.336 128.017 1.319 1 1 1488 . 18 1 1 A 130 130 GLY H H 136 7.514 8.205 -0.691 1 1 1489 . 18 1 1 A 130 130 GLY HA2 H 136 3.551 2.467 1.084 1 1 1490 . 18 1 1 A 130 130 GLY HA3 H 136 4.422 3.701 0.721 1 1 1491 . 18 1 1 A 130 130 GLY C C 136 172.609 171.390 1.219 1 1 1492 . 18 1 1 A 130 130 GLY CA C 136 44.315 45.349 -1.034 1 1 1493 . 18 1 1 A 130 130 GLY N N 136 101.232 107.424 -6.192 1 1 1494 . 18 1 1 A 131 131 GLU H H 137 8.225 8.440 -0.215 1 1 1495 . 18 1 1 A 131 131 GLU HA H 137 4.540 4.683 -0.143 1 1 1500 . 18 1 1 A 131 131 GLU C C 137 174.864 175.945 -1.081 1 1 1501 . 18 1 1 A 131 131 GLU CA C 137 53.120 55.866 -2.746 1 1 1502 . 18 1 1 A 131 131 GLU CB C 137 28.254 29.603 -1.349 1 1 1504 . 18 1 1 A 131 131 GLU N N 137 121.002 121.179 -0.177 1 1 1505 . 18 1 1 A 132 132 HIS H H 138 8.054 8.407 -0.353 1 1 1506 . 18 1 1 A 132 132 HIS HA H 138 4.771 4.876 -0.105 1 1 1511 . 18 1 1 A 132 132 HIS C C 138 175.411 174.996 0.415 1 1 1512 . 18 1 1 A 132 132 HIS CA C 138 57.942 57.515 0.427 1 1 1513 . 18 1 1 A 132 132 HIS CB C 138 27.710 31.001 -3.291 1 1 1514 . 18 1 1 A 132 132 HIS N N 138 124.204 125.149 -0.945 1 1 1515 . 18 1 1 A 133 133 THR H H 139 9.056 8.673 0.383 1 1 1516 . 18 1 1 A 133 133 THR HA H 139 3.864 5.124 -1.260 1 1 1521 . 18 1 1 A 133 133 THR C C 139 174.178 174.032 0.146 1 1 1522 . 18 1 1 A 133 133 THR CA C 139 63.225 60.773 2.452 1 1 1523 . 18 1 1 A 133 133 THR CB C 139 68.127 70.618 -2.491 1 1 1525 . 18 1 1 A 133 133 THR N N 139 125.345 114.812 10.533 1 1 1526 . 18 1 1 A 134 134 SER H H 140 8.834 8.771 0.063 1 1 1527 . 18 1 1 A 134 134 SER HA H 140 4.560 4.435 0.125 1 1 1530 . 18 1 1 A 134 134 SER C C 140 176.713 175.986 0.727 1 1 1531 . 18 1 1 A 134 134 SER CA C 140 57.961 59.261 -1.300 1 1 1532 . 18 1 1 A 134 134 SER CB C 140 63.030 63.568 -0.538 1 1 1533 . 18 1 1 A 134 134 SER N N 140 121.791 121.182 0.609 1 1 1534 . 18 1 1 A 135 135 PHE H H 141 9.597 8.269 1.328 1 1 1535 . 18 1 1 A 135 135 PHE HA H 141 3.953 4.437 -0.484 1 1 1542 . 18 1 1 A 135 135 PHE C C 141 175.375 175.694 -0.319 1 1 1543 . 18 1 1 A 135 135 PHE CA C 141 61.339 59.299 2.040 1 1 1544 . 18 1 1 A 135 135 PHE CB C 141 39.394 38.498 0.896 1 1 1545 . 18 1 1 A 135 135 PHE N N 141 128.822 122.613 6.209 1 1 1546 . 18 1 1 A 136 136 ASP H H 142 8.017 7.571 0.446 1 1 1547 . 18 1 1 A 136 136 ASP HA H 142 4.352 4.703 -0.351 1 1 1550 . 18 1 1 A 136 136 ASP C C 142 175.358 176.623 -1.265 1 1 1551 . 18 1 1 A 136 136 ASP CA C 142 55.223 53.981 1.242 1 1 1552 . 18 1 1 A 136 136 ASP CB C 142 40.968 41.321 -0.353 1 1 1553 . 18 1 1 A 136 136 ASP N N 142 113.108 120.343 -7.235 1 1 1554 . 18 1 1 A 137 137 LYS H H 143 7.340 7.873 -0.533 1 1 1555 . 18 1 1 A 137 137 LYS HA H 143 4.439 4.456 -0.017 1 1 1564 . 18 1 1 A 137 137 LYS C C 143 175.571 178.071 -2.500 1 1 1565 . 18 1 1 A 137 137 LYS CA C 143 54.096 57.140 -3.044 1 1 1566 . 18 1 1 A 137 137 LYS CB C 143 32.545 34.535 -1.990 1 1 1570 . 18 1 1 A 137 137 LYS N N 143 117.716 116.725 0.991 1 1 1571 . 18 1 1 A 138 138 LEU H H 144 6.698 8.068 -1.370 1 1 1572 . 18 1 1 A 138 138 LEU HA H 144 3.903 4.097 -0.194 1 1 1582 . 18 1 1 A 138 138 LEU C C 144 174.123 176.317 -2.194 1 1 1583 . 18 1 1 A 138 138 LEU CA C 144 52.843 59.717 -6.874 1 1 1584 . 18 1 1 A 138 138 LEU CB C 144 40.993 40.564 0.429 1 1 1588 . 18 1 1 A 138 138 LEU N N 144 120.536 121.319 -0.783 1 1 1589 . 18 1 1 A 139 139 PRO HA H 145 4.040 4.621 -0.581 1 1 1596 . 18 1 1 A 139 139 PRO C C 145 172.700 176.458 -3.758 1 1 1597 . 18 1 1 A 139 139 PRO CA C 145 62.654 62.331 0.323 1 1 1598 . 18 1 1 A 139 139 PRO CB C 145 30.086 32.397 -2.311 1 1 1601 . 18 1 1 A 140 140 GLU H H 146 8.343 8.681 -0.338 1 1 1602 . 18 1 1 A 140 140 GLU HA H 146 3.970 4.502 -0.532 1 1 1607 . 18 1 1 A 140 140 GLU C C 146 176.009 176.042 -0.033 1 1 1608 . 18 1 1 A 140 140 GLU CA C 146 56.119 55.762 0.357 1 1 1609 . 18 1 1 A 140 140 GLU CB C 146 30.086 31.506 -1.420 1 1 1611 . 18 1 1 A 140 140 GLU N N 146 119.063 121.041 -1.978 1 1 1612 . 18 1 1 A 141 141 GLY H H 147 7.241 8.052 -0.811 1 1 1613 . 18 1 1 A 141 141 GLY HA2 H 147 3.918 4.090 -0.172 1 1 1614 . 18 1 1 A 141 141 GLY HA3 H 147 3.814 4.090 -0.276 1 1 1615 . 18 1 1 A 141 141 GLY C C 147 171.657 173.621 -1.964 1 1 1616 . 18 1 1 A 141 141 GLY CA C 147 43.929 45.067 -1.138 1 1 1617 . 18 1 1 A 141 141 GLY N N 147 104.270 109.479 -5.209 1 1 1618 . 18 1 1 A 142 142 GLY H H 148 8.241 8.319 -0.078 1 1 1619 . 18 1 1 A 142 142 GLY HA2 H 148 3.710 4.148 -0.438 1 1 1620 . 18 1 1 A 142 142 GLY HA3 H 148 4.350 4.154 0.196 1 1 1621 . 18 1 1 A 142 142 GLY C C 148 171.767 173.116 -1.349 1 1 1622 . 18 1 1 A 142 142 GLY CA C 148 43.649 45.384 -1.735 1 1 1623 . 18 1 1 A 142 142 GLY N N 148 106.996 111.089 -4.093 1 1 1624 . 18 1 1 A 143 143 ARG H H 149 8.214 8.424 -0.210 1 1 1625 . 18 1 1 A 143 143 ARG HA H 149 5.376 5.357 0.019 1 1 1632 . 18 1 1 A 143 143 ARG C C 149 174.981 174.472 0.509 1 1 1633 . 18 1 1 A 143 143 ARG CA C 149 54.235 53.803 0.432 1 1 1634 . 18 1 1 A 143 143 ARG CB C 149 32.988 34.378 -1.390 1 1 1637 . 18 1 1 A 143 143 ARG N N 149 117.762 120.333 -2.571 1 1 1638 . 18 1 1 A 144 144 ALA H H 150 9.030 8.624 0.406 1 1 1639 . 18 1 1 A 144 144 ALA HA H 150 4.730 4.902 -0.172 1 1 1643 . 18 1 1 A 144 144 ALA C C 150 175.012 176.198 -1.186 1 1 1644 . 18 1 1 A 144 144 ALA CA C 150 50.732 51.484 -0.752 1 1 1645 . 18 1 1 A 144 144 ALA CB C 150 23.448 23.262 0.186 1 1 1646 . 18 1 1 A 144 144 ALA N N 150 126.630 121.002 5.628 1 1 1647 . 18 1 1 A 145 145 THR H H 151 8.560 8.537 0.023 1 1 1648 . 18 1 1 A 145 145 THR HA H 151 4.846 4.726 0.120 1 1 1653 . 18 1 1 A 145 145 THR C C 151 171.870 173.450 -1.580 1 1 1654 . 18 1 1 A 145 145 THR CA C 151 61.997 62.697 -0.700 1 1 1655 . 18 1 1 A 145 145 THR CB C 151 69.746 69.817 -0.071 1 1 1657 . 18 1 1 A 145 145 THR N N 151 117.942 116.356 1.586 1 1 1658 . 18 1 1 A 146 146 TYR H H 152 10.008 9.092 0.916 1 1 1659 . 18 1 1 A 146 146 TYR HA H 152 4.580 5.138 -0.558 1 1 1666 . 18 1 1 A 146 146 TYR C C 152 174.627 174.876 -0.249 1 1 1667 . 18 1 1 A 146 146 TYR CA C 152 55.835 56.291 -0.456 1 1 1668 . 18 1 1 A 146 146 TYR CB C 152 40.094 43.298 -3.204 1 1 1669 . 18 1 1 A 146 146 TYR N N 152 126.097 124.010 2.087 1 1 1670 . 18 1 1 A 147 147 ARG H H 153 8.860 8.649 0.211 1 1 1671 . 18 1 1 A 147 147 ARG HA H 153 5.404 5.281 0.123 1 1 1678 . 18 1 1 A 147 147 ARG C C 153 177.446 176.202 1.244 1 1 1679 . 18 1 1 A 147 147 ARG CA C 153 54.024 54.780 -0.756 1 1 1680 . 18 1 1 A 147 147 ARG CB C 153 33.539 34.278 -0.739 1 1 1683 . 18 1 1 A 147 147 ARG N N 153 121.042 120.842 0.200 1 1 1684 . 18 1 1 A 148 148 GLY H H 154 8.916 8.108 0.808 1 1 1685 . 18 1 1 A 148 148 GLY HA2 H 154 4.816 4.334 0.482 1 1 1686 . 18 1 1 A 148 148 GLY HA3 H 154 4.422 4.383 0.039 1 1 1687 . 18 1 1 A 148 148 GLY C C 154 173.831 171.765 2.066 1 1 1688 . 18 1 1 A 148 148 GLY CA C 154 46.752 45.752 1.000 1 1 1689 . 18 1 1 A 148 148 GLY N N 154 114.154 109.227 4.927 1 1 1690 . 18 1 1 A 149 149 THR H H 155 9.063 8.906 0.157 1 1 1691 . 18 1 1 A 149 149 THR HA H 155 4.711 5.180 -0.469 1 1 1696 . 18 1 1 A 149 149 THR C C 155 170.370 173.431 -3.061 1 1 1697 . 18 1 1 A 149 149 THR CA C 155 62.316 61.299 1.017 1 1 1698 . 18 1 1 A 149 149 THR CB C 155 72.596 72.233 0.363 1 1 1700 . 18 1 1 A 149 149 THR N N 155 126.410 115.287 11.123 1 1 1701 . 18 1 1 A 150 150 ALA H H 156 7.091 9.076 -1.985 1 1 1702 . 18 1 1 A 150 150 ALA HA H 156 5.289 5.335 -0.046 1 1 1706 . 18 1 1 A 150 150 ALA C C 156 173.965 176.345 -2.380 1 1 1707 . 18 1 1 A 150 150 ALA CA C 156 48.843 50.382 -1.539 1 1 1708 . 18 1 1 A 150 150 ALA CB C 156 22.573 21.980 0.593 1 1 1709 . 18 1 1 A 150 150 ALA N N 156 127.540 127.506 0.034 1 1 1710 . 18 1 1 A 151 151 PHE H H 157 8.536 8.155 0.381 1 1 1711 . 18 1 1 A 151 151 PHE HA H 157 5.442 5.621 -0.179 1 1 1718 . 18 1 1 A 151 151 PHE C C 157 171.891 173.689 -1.798 1 1 1719 . 18 1 1 A 151 151 PHE CA C 157 53.282 55.360 -2.078 1 1 1720 . 18 1 1 A 151 151 PHE CB C 157 41.020 42.058 -1.038 1 1 1721 . 18 1 1 A 151 151 PHE N N 157 117.013 117.647 -0.634 1 1 1722 . 18 1 1 A 152 152 GLY H H 158 8.548 8.402 0.146 1 1 1723 . 18 1 1 A 152 152 GLY HA2 H 158 4.003 2.896 1.107 1 1 1724 . 18 1 1 A 152 152 GLY HA3 H 158 3.124 3.920 -0.796 1 1 1725 . 18 1 1 A 152 152 GLY C C 158 173.148 173.566 -0.418 1 1 1726 . 18 1 1 A 152 152 GLY CA C 158 42.630 44.888 -2.258 1 1 1727 . 18 1 1 A 152 152 GLY N N 158 108.356 107.491 0.865 1 1 1728 . 18 1 1 A 153 153 SER H H 159 7.610 8.630 -1.020 1 1 1729 . 18 1 1 A 153 153 SER HA H 159 3.421 4.438 -1.017 1 1 1732 . 18 1 1 A 153 153 SER C C 159 176.057 174.649 1.408 1 1 1733 . 18 1 1 A 153 153 SER CA C 159 58.787 57.566 1.221 1 1 1734 . 18 1 1 A 153 153 SER CB C 159 61.886 62.269 -0.383 1 1 1735 . 18 1 1 A 153 153 SER N N 159 115.173 113.668 1.505 1 1 1736 . 18 1 1 A 154 154 ASP H H 160 9.894 8.488 1.406 1 1 1737 . 18 1 1 A 154 154 ASP HA H 160 4.168 4.809 -0.641 1 1 1740 . 18 1 1 A 154 154 ASP C C 160 175.191 175.516 -0.325 1 1 1741 . 18 1 1 A 154 154 ASP CA C 160 55.398 54.782 0.616 1 1 1742 . 18 1 1 A 154 154 ASP CB C 160 39.212 41.799 -2.587 1 1 1743 . 18 1 1 A 154 154 ASP N N 160 124.828 119.923 4.905 1 1 1744 . 18 1 1 A 155 155 ASP H H 161 7.520 8.137 -0.617 1 1 1745 . 18 1 1 A 155 155 ASP HA H 161 4.568 4.900 -0.332 1 1 1748 . 18 1 1 A 155 155 ASP C C 161 172.658 176.085 -3.427 1 1 1749 . 18 1 1 A 155 155 ASP CA C 161 54.342 54.883 -0.541 1 1 1750 . 18 1 1 A 155 155 ASP CB C 161 40.619 43.949 -3.330 1 1 1751 . 18 1 1 A 155 155 ASP N N 161 116.749 118.605 -1.856 1 1 1752 . 18 1 1 A 156 156 ALA H H 162 8.544 8.411 0.133 1 1 1753 . 18 1 1 A 156 156 ALA HA H 162 4.916 4.222 0.694 1 1 1757 . 18 1 1 A 156 156 ALA C C 162 177.708 177.752 -0.044 1 1 1758 . 18 1 1 A 156 156 ALA CA C 162 49.878 53.598 -3.720 1 1 1759 . 18 1 1 A 156 156 ALA CB C 162 17.473 18.223 -0.750 1 1 1760 . 18 1 1 A 156 156 ALA N N 162 128.246 120.488 7.758 1 1 1761 . 18 1 1 A 157 157 GLY H H 163 8.406 8.095 0.311 1 1 1762 . 18 1 1 A 157 157 GLY HA2 H 163 4.286 3.926 0.360 1 1 1763 . 18 1 1 A 157 157 GLY HA3 H 163 3.894 3.960 -0.066 1 1 1764 . 18 1 1 A 157 157 GLY C C 163 174.344 174.757 -0.413 1 1 1765 . 18 1 1 A 157 157 GLY CA C 163 45.049 45.968 -0.919 1 1 1766 . 18 1 1 A 157 157 GLY N N 163 106.545 106.312 0.233 1 1 1767 . 18 1 1 A 158 158 GLY H H 164 7.128 8.003 -0.875 1 1 1768 . 18 1 1 A 158 158 GLY HA2 H 164 4.118 3.931 0.187 1 1 1769 . 18 1 1 A 158 158 GLY HA3 H 164 3.641 3.962 -0.321 1 1 1770 . 18 1 1 A 158 158 GLY C C 164 173.903 173.438 0.465 1 1 1771 . 18 1 1 A 158 158 GLY CA C 164 45.225 46.874 -1.649 1 1 1772 . 18 1 1 A 158 158 GLY N N 164 106.404 108.159 -1.755 1 1 1773 . 18 1 1 A 159 159 LYS H H 165 9.647 8.192 1.455 1 1 1774 . 18 1 1 A 159 159 LYS HA H 165 5.052 4.291 0.761 1 1 1781 . 18 1 1 A 159 159 LYS C C 165 174.390 176.304 -1.914 1 1 1782 . 18 1 1 A 159 159 LYS CA C 165 53.501 56.029 -2.528 1 1 1783 . 18 1 1 A 159 159 LYS CB C 165 34.622 33.093 1.529 1 1 1786 . 18 1 1 A 159 159 LYS N N 165 123.930 124.156 -0.226 1 1 1787 . 18 1 1 A 160 160 LEU H H 166 7.706 8.501 -0.795 1 1 1788 . 18 1 1 A 160 160 LEU HA H 166 4.873 5.160 -0.287 1 1 1798 . 18 1 1 A 160 160 LEU C C 166 174.825 175.226 -0.401 1 1 1799 . 18 1 1 A 160 160 LEU CA C 166 52.677 53.086 -0.409 1 1 1800 . 18 1 1 A 160 160 LEU CB C 166 44.629 46.408 -1.779 1 1 1804 . 18 1 1 A 160 160 LEU N N 166 126.271 118.878 7.393 1 1 1805 . 18 1 1 A 161 161 THR H H 167 8.374 8.818 -0.444 1 1 1806 . 18 1 1 A 161 161 THR HA H 167 4.949 5.244 -0.295 1 1 1811 . 18 1 1 A 161 161 THR C C 167 172.102 174.000 -1.898 1 1 1812 . 18 1 1 A 161 161 THR CA C 167 61.761 61.623 0.138 1 1 1813 . 18 1 1 A 161 161 THR CB C 167 70.169 71.026 -0.857 1 1 1815 . 18 1 1 A 161 161 THR N N 167 122.977 114.055 8.922 1 1 1816 . 18 1 1 A 162 162 TYR H H 168 9.174 9.050 0.124 1 1 1817 . 18 1 1 A 162 162 TYR HA H 168 4.766 5.285 -0.519 1 1 1824 . 18 1 1 A 162 162 TYR C C 168 172.249 175.272 -3.023 1 1 1825 . 18 1 1 A 162 162 TYR CA C 168 58.162 56.565 1.597 1 1 1826 . 18 1 1 A 162 162 TYR CB C 168 43.746 41.145 2.601 1 1 1827 . 18 1 1 A 162 162 TYR N N 168 128.112 125.610 2.502 1 1 1828 . 18 1 1 A 163 163 THR H H 169 8.711 8.920 -0.209 1 1 1829 . 18 1 1 A 163 163 THR HA H 169 5.402 4.991 0.411 1 1 1834 . 18 1 1 A 163 163 THR C C 169 172.520 172.738 -0.218 1 1 1835 . 18 1 1 A 163 163 THR CA C 169 60.804 61.521 -0.717 1 1 1836 . 18 1 1 A 163 163 THR CB C 169 70.818 70.557 0.261 1 1 1838 . 18 1 1 A 163 163 THR N N 169 124.549 117.302 7.247 1 1 1839 . 18 1 1 A 164 164 ILE H H 170 8.927 8.909 0.018 1 1 1840 . 18 1 1 A 164 164 ILE HA H 170 4.313 4.966 -0.653 1 1 1850 . 18 1 1 A 164 164 ILE C C 170 173.105 172.963 0.142 1 1 1851 . 18 1 1 A 164 164 ILE CA C 170 60.595 59.197 1.398 1 1 1852 . 18 1 1 A 164 164 ILE CB C 170 41.274 41.075 0.199 1 1 1856 . 18 1 1 A 164 164 ILE N N 170 123.685 128.606 -4.921 1 1 1857 . 18 1 1 A 165 165 ASP H H 171 8.372 8.715 -0.343 1 1 1858 . 18 1 1 A 165 165 ASP HA H 171 4.750 5.027 -0.277 1 1 1861 . 18 1 1 A 165 165 ASP C C 171 177.213 175.470 1.743 1 1 1862 . 18 1 1 A 165 165 ASP CA C 171 51.669 52.234 -0.565 1 1 1863 . 18 1 1 A 165 165 ASP CB C 171 41.730 43.437 -1.707 1 1 1864 . 18 1 1 A 165 165 ASP N N 171 125.168 128.942 -3.774 1 1 1865 . 18 1 1 A 166 166 PHE H H 172 8.968 9.454 -0.486 1 1 1866 . 18 1 1 A 166 166 PHE HA H 172 3.879 4.432 -0.553 1 1 1874 . 18 1 1 A 166 166 PHE C C 172 176.940 178.167 -1.227 1 1 1875 . 18 1 1 A 166 166 PHE CA C 172 61.543 60.248 1.295 1 1 1876 . 18 1 1 A 166 166 PHE CB C 172 37.424 39.894 -2.470 1 1 1877 . 18 1 1 A 166 166 PHE N N 172 123.597 124.845 -1.248 1 1 1878 . 18 1 1 A 167 167 ALA H H 173 8.266 8.160 0.106 1 1 1879 . 18 1 1 A 167 167 ALA HA H 173 4.322 4.084 0.238 1 1 1883 . 18 1 1 A 167 167 ALA C C 173 178.888 179.025 -0.137 1 1 1884 . 18 1 1 A 167 167 ALA CA C 173 54.458 55.155 -0.697 1 1 1885 . 18 1 1 A 167 167 ALA CB C 173 17.591 18.152 -0.561 1 1 1886 . 18 1 1 A 167 167 ALA N N 173 122.113 122.378 -0.265 1 1 1887 . 18 1 1 A 168 168 ALA H H 174 7.405 8.188 -0.783 1 1 1888 . 18 1 1 A 168 168 ALA HA H 174 4.096 4.345 -0.249 1 1 1892 . 18 1 1 A 168 168 ALA C C 174 176.605 177.181 -0.576 1 1 1893 . 18 1 1 A 168 168 ALA CA C 174 51.225 51.583 -0.358 1 1 1894 . 18 1 1 A 168 168 ALA CB C 174 18.307 19.306 -0.999 1 1 1895 . 18 1 1 A 168 168 ALA N N 174 118.760 118.185 0.575 1 1 1896 . 18 1 1 A 169 169 LYS H H 175 7.906 8.068 -0.162 1 1 1897 . 18 1 1 A 169 169 LYS HA H 175 3.391 4.146 -0.755 1 1 1904 . 18 1 1 A 169 169 LYS C C 175 174.608 174.897 -0.289 1 1 1905 . 18 1 1 A 169 169 LYS CA C 175 57.049 57.333 -0.284 1 1 1906 . 18 1 1 A 169 169 LYS CB C 175 30.051 30.961 -0.910 1 1 1909 . 18 1 1 A 169 169 LYS N N 175 114.394 117.675 -3.281 1 1 1910 . 18 1 1 A 170 170 GLN H H 176 7.629 7.194 0.435 1 1 1911 . 18 1 1 A 170 170 GLN HA H 176 5.414 4.979 0.435 1 1 1918 . 18 1 1 A 170 170 GLN C C 176 174.325 174.594 -0.269 1 1 1919 . 18 1 1 A 170 170 GLN CA C 176 54.393 54.116 0.277 1 1 1920 . 18 1 1 A 170 170 GLN CB C 176 34.771 30.985 3.786 1 1 1922 . 18 1 1 A 170 170 GLN N N 176 116.433 117.966 -1.533 1 1 1924 . 18 1 1 A 171 171 GLY H H 177 8.854 9.169 -0.315 1 1 1925 . 18 1 1 A 171 171 GLY HA2 H 177 5.205 3.996 1.209 1 1 1926 . 18 1 1 A 171 171 GLY HA3 H 177 3.526 4.027 -0.501 1 1 1927 . 18 1 1 A 171 171 GLY C C 177 170.842 171.963 -1.121 1 1 1928 . 18 1 1 A 171 171 GLY CA C 177 44.621 44.761 -0.140 1 1 1929 . 18 1 1 A 171 171 GLY N N 177 110.189 111.561 -1.372 1 1 1930 . 18 1 1 A 172 172 ASN H H 178 7.637 8.946 -1.309 1 1 1931 . 18 1 1 A 172 172 ASN HA H 178 4.224 5.022 -0.798 1 1 1936 . 18 1 1 A 172 172 ASN C C 178 171.546 174.215 -2.669 1 1 1937 . 18 1 1 A 172 172 ASN CA C 178 53.729 51.032 2.697 1 1 1938 . 18 1 1 A 172 172 ASN CB C 178 41.543 40.512 1.031 1 1 1939 . 18 1 1 A 172 172 ASN N N 178 112.667 123.561 -10.894 1 1 1941 . 18 1 1 A 173 173 GLY H H 179 9.103 8.281 0.822 1 1 1942 . 18 1 1 A 173 173 GLY HA2 H 179 4.491 3.889 0.602 1 1 1943 . 18 1 1 A 173 173 GLY HA3 H 179 4.084 4.146 -0.062 1 1 1944 . 18 1 1 A 173 173 GLY C C 179 172.400 171.423 0.977 1 1 1945 . 18 1 1 A 173 173 GLY CA C 179 47.199 45.767 1.432 1 1 1946 . 18 1 1 A 173 173 GLY N N 179 106.686 108.478 -1.792 1 1 1947 . 18 1 1 A 174 174 LYS H H 180 9.179 8.773 0.406 1 1 1948 . 18 1 1 A 174 174 LYS HA H 180 4.821 4.969 -0.148 1 1 1957 . 18 1 1 A 174 174 LYS C C 180 172.518 174.879 -2.361 1 1 1958 . 18 1 1 A 174 174 LYS CA C 180 56.617 55.381 1.236 1 1 1959 . 18 1 1 A 174 174 LYS CB C 180 35.373 35.399 -0.026 1 1 1963 . 18 1 1 A 174 174 LYS N N 180 121.816 116.051 5.765 1 1 1964 . 18 1 1 A 175 175 ILE H H 181 8.351 8.723 -0.372 1 1 1965 . 18 1 1 A 175 175 ILE HA H 181 4.581 4.423 0.158 1 1 1973 . 18 1 1 A 175 175 ILE C C 181 173.997 175.628 -1.631 1 1 1974 . 18 1 1 A 175 175 ILE CA C 181 60.490 61.176 -0.686 1 1 1975 . 18 1 1 A 175 175 ILE CB C 181 39.573 38.406 1.167 1 1 1978 . 18 1 1 A 175 175 ILE N N 181 123.400 122.939 0.461 1 1 1979 . 18 1 1 A 176 176 GLU H H 182 8.492 8.594 -0.102 1 1 1980 . 18 1 1 A 176 176 GLU HA H 182 4.471 4.663 -0.192 1 1 1985 . 18 1 1 A 176 176 GLU C C 182 175.392 177.075 -1.683 1 1 1986 . 18 1 1 A 176 176 GLU CA C 182 53.410 55.795 -2.385 1 1 1987 . 18 1 1 A 176 176 GLU CB C 182 35.479 30.958 4.521 1 1 1989 . 18 1 1 A 176 176 GLU N N 182 122.287 125.571 -3.284 1 1 1990 . 18 1 1 A 177 177 HIS H H 183 8.431 8.128 0.303 1 1 1991 . 18 1 1 A 177 177 HIS HA H 183 3.975 4.762 -0.787 1 1 1996 . 18 1 1 A 177 177 HIS C C 183 176.008 174.936 1.072 1 1 1997 . 18 1 1 A 177 177 HIS CA C 183 57.533 55.752 1.781 1 1 1998 . 18 1 1 A 177 177 HIS CB C 183 27.362 29.442 -2.080 1 1 1999 . 18 1 1 A 177 177 HIS N N 183 109.605 120.984 -11.379 1 1 2000 . 18 1 1 A 178 178 LEU H H 184 9.603 7.664 1.939 1 1 2001 . 18 1 1 A 178 178 LEU HA H 184 4.276 4.300 -0.024 1 1 2011 . 18 1 1 A 178 178 LEU C C 184 178.805 178.535 0.270 1 1 2012 . 18 1 1 A 178 178 LEU CA C 184 56.034 54.076 1.958 1 1 2013 . 18 1 1 A 178 178 LEU CB C 184 39.882 41.898 -2.016 1 1 2017 . 18 1 1 A 178 178 LEU N N 184 124.374 121.422 2.952 1 1 2018 . 18 1 1 A 179 179 LYS H H 185 10.002 8.549 1.453 1 1 2019 . 18 1 1 A 179 179 LYS HA H 185 3.682 3.955 -0.273 1 1 2028 . 18 1 1 A 179 179 LYS C C 185 177.660 176.833 0.827 1 1 2029 . 18 1 1 A 179 179 LYS CA C 185 57.721 59.679 -1.958 1 1 2030 . 18 1 1 A 179 179 LYS CB C 185 31.949 32.440 -0.491 1 1 2034 . 18 1 1 A 179 179 LYS N N 185 122.880 121.383 1.497 1 1 2035 . 18 1 1 A 180 180 SER H H 186 7.262 8.008 -0.746 1 1 2036 . 18 1 1 A 180 180 SER HA H 186 4.672 4.926 -0.254 1 1 2039 . 18 1 1 A 180 180 SER C C 186 173.086 173.937 -0.851 1 1 2040 . 18 1 1 A 180 180 SER CA C 186 54.576 55.718 -1.142 1 1 2041 . 18 1 1 A 180 180 SER CB C 186 62.715 65.308 -2.593 1 1 2042 . 18 1 1 A 180 180 SER N N 186 115.187 113.738 1.449 1 1 2043 . 18 1 1 A 181 181 PRO HA H 187 3.956 4.312 -0.356 1 1 2050 . 18 1 1 A 181 181 PRO CA C 187 65.359 65.685 -0.326 1 1 2051 . 18 1 1 A 181 181 PRO CB C 187 32.061 31.791 0.270 1 1 2054 . 18 1 1 A 182 182 GLU H H 188 8.076 8.652 -0.576 1 1 2055 . 18 1 1 A 182 182 GLU HA H 188 3.011 4.155 -1.144 1 1 2060 . 18 1 1 A 182 182 GLU C C 188 173.944 177.690 -3.746 1 1 2061 . 18 1 1 A 182 182 GLU CA C 188 56.597 58.455 -1.858 1 1 2062 . 18 1 1 A 182 182 GLU CB C 188 29.581 28.937 0.644 1 1 2064 . 18 1 1 A 182 182 GLU N N 188 113.034 117.185 -4.151 1 1 2065 . 18 1 1 A 183 183 LEU H H 189 7.126 7.238 -0.112 1 1 2066 . 18 1 1 A 183 183 LEU HA H 189 3.970 4.258 -0.288 1 1 2076 . 18 1 1 A 183 183 LEU C C 189 175.597 177.083 -1.486 1 1 2077 . 18 1 1 A 183 183 LEU CA C 189 53.849 55.875 -2.026 1 1 2078 . 18 1 1 A 183 183 LEU CB C 189 41.152 42.587 -1.435 1 1 2082 . 18 1 1 A 183 183 LEU N N 189 112.896 118.684 -5.788 1 1 2083 . 18 1 1 A 184 184 ASN H H 190 6.952 7.766 -0.814 1 1 2084 . 18 1 1 A 184 184 ASN HA H 190 4.596 4.678 -0.082 1 1 2089 . 18 1 1 A 184 184 ASN C C 190 175.694 174.653 1.041 1 1 2090 . 18 1 1 A 184 184 ASN CA C 190 53.200 53.043 0.157 1 1 2091 . 18 1 1 A 184 184 ASN CB C 190 36.466 39.422 -2.956 1 1 2092 . 18 1 1 A 184 184 ASN N N 190 117.865 117.549 0.316 1 1 2094 . 18 1 1 A 185 185 VAL H H 191 7.178 8.726 -1.548 1 1 2095 . 18 1 1 A 185 185 VAL HA H 191 4.480 5.001 -0.521 1 1 2103 . 18 1 1 A 185 185 VAL C C 191 174.874 175.026 -0.152 1 1 2104 . 18 1 1 A 185 185 VAL CA C 191 59.753 59.880 -0.127 1 1 2105 . 18 1 1 A 185 185 VAL CB C 191 33.035 33.812 -0.777 1 1 2108 . 18 1 1 A 185 185 VAL N N 191 113.276 118.546 -5.270 1 1 2109 . 18 1 1 A 186 186 ASP H H 192 8.827 8.658 0.169 1 1 2110 . 18 1 1 A 186 186 ASP HA H 192 4.779 4.951 -0.172 1 1 2113 . 18 1 1 A 186 186 ASP C C 192 174.919 175.400 -0.481 1 1 2114 . 18 1 1 A 186 186 ASP CA C 192 54.058 54.087 -0.029 1 1 2115 . 18 1 1 A 186 186 ASP CB C 192 41.635 42.675 -1.040 1 1 2116 . 18 1 1 A 186 186 ASP N N 192 118.111 122.408 -4.297 1 1 2117 . 18 1 1 A 187 187 LEU H H 193 8.375 8.286 0.089 1 1 2118 . 18 1 1 A 187 187 LEU HA H 193 4.146 4.850 -0.704 1 1 2127 . 18 1 1 A 187 187 LEU CA C 193 52.331 53.407 -1.076 1 1 2128 . 18 1 1 A 187 187 LEU CB C 193 38.187 43.018 -4.831 1 1 2131 . 18 1 1 A 187 187 LEU N N 193 123.130 122.181 0.949 1 1 2132 . 18 1 1 A 188 188 ALA H H 194 8.225 8.883 -0.658 1 1 2133 . 18 1 1 A 188 188 ALA HA H 194 4.098 4.509 -0.411 1 1 2137 . 18 1 1 A 188 188 ALA C C 194 176.239 177.021 -0.782 1 1 2138 . 18 1 1 A 188 188 ALA CA C 194 52.498 51.866 0.632 1 1 2139 . 18 1 1 A 188 188 ALA CB C 194 20.030 18.977 1.053 1 1 2140 . 18 1 1 A 188 188 ALA N N 194 126.289 127.565 -1.276 1 1 2141 . 18 1 1 A 189 189 ALA H H 195 8.275 8.255 0.020 1 1 2142 . 18 1 1 A 189 189 ALA HA H 195 4.862 4.204 0.658 1 1 2146 . 18 1 1 A 189 189 ALA C C 195 178.131 177.575 0.556 1 1 2147 . 18 1 1 A 189 189 ALA CA C 195 51.822 53.177 -1.355 1 1 2148 . 18 1 1 A 189 189 ALA CB C 195 17.367 18.834 -1.467 1 1 2149 . 18 1 1 A 189 189 ALA N N 195 122.010 125.141 -3.131 1 1 2150 . 18 1 1 A 190 190 ALA H H 196 8.823 8.648 0.175 1 1 2151 . 18 1 1 A 190 190 ALA HA H 196 4.634 5.111 -0.477 1 1 2155 . 18 1 1 A 190 190 ALA C C 196 175.141 176.233 -1.092 1 1 2156 . 18 1 1 A 190 190 ALA CA C 196 50.420 49.989 0.431 1 1 2157 . 18 1 1 A 190 190 ALA CB C 196 23.461 20.634 2.827 1 1 2158 . 18 1 1 A 190 190 ALA N N 196 126.018 126.454 -0.436 1 1 2159 . 18 1 1 A 191 191 ASP H H 197 8.365 8.772 -0.407 1 1 2160 . 18 1 1 A 191 191 ASP HA H 197 5.160 4.744 0.416 1 1 2163 . 18 1 1 A 191 191 ASP C C 197 176.028 175.724 0.304 1 1 2164 . 18 1 1 A 191 191 ASP CA C 197 54.034 52.940 1.094 1 1 2165 . 18 1 1 A 191 191 ASP CB C 197 41.691 41.983 -0.292 1 1 2166 . 18 1 1 A 191 191 ASP N N 197 118.646 121.658 -3.012 1 1 2167 . 18 1 1 A 192 192 ILE H H 198 7.915 8.183 -0.268 1 1 2168 . 18 1 1 A 192 192 ILE HA H 198 4.315 4.419 -0.104 1 1 2178 . 18 1 1 A 192 192 ILE C C 198 174.684 174.643 0.041 1 1 2179 . 18 1 1 A 192 192 ILE CA C 198 60.951 61.703 -0.752 1 1 2180 . 18 1 1 A 192 192 ILE CB C 198 41.989 38.653 3.336 1 1 2184 . 18 1 1 A 192 192 ILE N N 198 119.664 121.661 -1.997 1 1 2185 . 18 1 1 A 193 193 LYS H H 199 9.175 9.181 -0.006 1 1 2186 . 18 1 1 A 193 193 LYS HA H 199 4.530 4.799 -0.269 1 1 2195 . 18 1 1 A 193 193 LYS C C 199 172.639 174.098 -1.459 1 1 2196 . 18 1 1 A 193 193 LYS CA C 199 53.361 52.841 0.520 1 1 2197 . 18 1 1 A 193 193 LYS CB C 199 34.758 34.723 0.035 1 1 2201 . 18 1 1 A 193 193 LYS N N 199 127.122 127.381 -0.259 1 1 2202 . 18 1 1 A 195 195 ASP H H 201 8.390 9.087 -0.697 1 1 2203 . 18 1 1 A 195 195 ASP HA H 201 4.550 4.841 -0.291 1 1 2206 . 18 1 1 A 195 195 ASP C C 201 179.300 175.544 3.756 1 1 2207 . 18 1 1 A 195 195 ASP CA C 201 51.354 55.361 -4.007 1 1 2208 . 18 1 1 A 195 195 ASP CB C 201 40.324 43.942 -3.618 1 1 2209 . 18 1 1 A 195 195 ASP N N 201 123.239 120.885 2.354 1 1 2210 . 18 1 1 A 196 196 GLY HA2 H 202 3.718 4.026 -0.308 1 1 2211 . 18 1 1 A 196 196 GLY HA3 H 202 3.437 4.062 -0.625 1 1 2212 . 18 1 1 A 196 196 GLY CA C 202 46.527 45.330 1.197 1 1 2213 . 18 1 1 A 197 197 LYS H H 203 7.740 8.714 -0.974 1 1 2214 . 18 1 1 A 197 197 LYS HA H 203 4.118 4.044 0.074 1 1 2221 . 18 1 1 A 197 197 LYS C C 203 174.941 176.557 -1.616 1 1 2222 . 18 1 1 A 197 197 LYS CA C 203 55.054 58.362 -3.308 1 1 2223 . 18 1 1 A 197 197 LYS CB C 203 31.192 31.905 -0.713 1 1 2226 . 18 1 1 A 197 197 LYS N N 203 120.305 118.275 2.030 1 1 2227 . 18 1 1 A 198 198 ARG H H 204 8.059 7.787 0.272 1 1 2228 . 18 1 1 A 198 198 ARG HA H 204 3.441 4.692 -1.251 1 1 2235 . 18 1 1 A 198 198 ARG C C 204 175.152 175.517 -0.365 1 1 2236 . 18 1 1 A 198 198 ARG CA C 204 56.911 55.701 1.210 1 1 2237 . 18 1 1 A 198 198 ARG CB C 204 26.584 31.405 -4.821 1 1 2240 . 18 1 1 A 198 198 ARG N N 204 111.796 114.781 -2.985 1 1 2241 . 18 1 1 A 199 199 HIS H H 205 8.531 7.910 0.621 1 1 2242 . 18 1 1 A 199 199 HIS HA H 205 4.812 5.409 -0.597 1 1 2247 . 18 1 1 A 199 199 HIS C C 205 174.866 174.360 0.506 1 1 2248 . 18 1 1 A 199 199 HIS CA C 205 53.700 55.140 -1.440 1 1 2249 . 18 1 1 A 199 199 HIS CB C 205 27.838 33.448 -5.610 1 1 2250 . 18 1 1 A 199 199 HIS N N 205 120.255 118.154 2.101 1 1 2251 . 18 1 1 A 200 200 ALA H H 206 8.492 8.825 -0.333 1 1 2252 . 18 1 1 A 200 200 ALA HA H 206 4.615 5.164 -0.549 1 1 2256 . 18 1 1 A 200 200 ALA C C 206 175.840 175.303 0.537 1 1 2257 . 18 1 1 A 200 200 ALA CA C 206 52.247 51.194 1.053 1 1 2258 . 18 1 1 A 200 200 ALA CB C 206 19.838 24.200 -4.362 1 1 2259 . 18 1 1 A 200 200 ALA N N 206 123.237 121.600 1.637 1 1 2260 . 18 1 1 A 201 201 VAL H H 207 9.174 8.305 0.869 1 1 2261 . 18 1 1 A 201 201 VAL HA H 207 4.976 4.745 0.231 1 1 2269 . 18 1 1 A 201 201 VAL C C 207 173.390 175.069 -1.679 1 1 2270 . 18 1 1 A 201 201 VAL CA C 207 60.775 60.515 0.260 1 1 2271 . 18 1 1 A 201 201 VAL CB C 207 35.488 35.894 -0.406 1 1 2274 . 18 1 1 A 201 201 VAL N N 207 123.250 119.232 4.018 1 1 2275 . 18 1 1 A 202 202 ILE H H 208 8.887 8.472 0.415 1 1 2276 . 18 1 1 A 202 202 ILE HA H 208 4.312 4.984 -0.672 1 1 2286 . 18 1 1 A 202 202 ILE C C 208 174.670 174.583 0.087 1 1 2287 . 18 1 1 A 202 202 ILE CA C 208 60.815 59.468 1.347 1 1 2288 . 18 1 1 A 202 202 ILE CB C 208 41.576 40.384 1.192 1 1 2292 . 18 1 1 A 202 202 ILE N N 208 122.699 126.257 -3.558 1 1 2293 . 18 1 1 A 203 203 SER H H 209 8.416 8.534 -0.118 1 1 2294 . 18 1 1 A 203 203 SER HA H 209 4.913 5.130 -0.217 1 1 2297 . 18 1 1 A 203 203 SER C C 209 172.984 172.623 0.361 1 1 2298 . 18 1 1 A 203 203 SER CA C 209 55.676 56.487 -0.811 1 1 2299 . 18 1 1 A 203 203 SER CB C 209 64.355 65.687 -1.332 1 1 2300 . 18 1 1 A 203 203 SER N N 209 122.067 121.371 0.696 1 1 2301 . 18 1 1 A 204 204 GLY H H 210 7.292 7.732 -0.440 1 1 2302 . 18 1 1 A 204 204 GLY HA2 H 210 4.432 4.124 0.308 1 1 2303 . 18 1 1 A 204 204 GLY HA3 H 210 3.352 4.190 -0.838 1 1 2304 . 18 1 1 A 204 204 GLY C C 210 172.482 172.584 -0.102 1 1 2305 . 18 1 1 A 204 204 GLY CA C 210 45.167 45.059 0.108 1 1 2306 . 18 1 1 A 204 204 GLY N N 210 110.488 113.086 -2.598 1 1 2307 . 18 1 1 A 205 205 SER H H 211 8.652 8.749 -0.097 1 1 2308 . 18 1 1 A 205 205 SER HA H 211 5.027 5.340 -0.313 1 1 2311 . 18 1 1 A 205 205 SER C C 211 172.852 172.932 -0.080 1 1 2312 . 18 1 1 A 205 205 SER CA C 211 58.806 57.755 1.051 1 1 2313 . 18 1 1 A 205 205 SER CB C 211 64.384 65.866 -1.482 1 1 2314 . 18 1 1 A 205 205 SER N N 211 116.497 117.296 -0.799 1 1 2315 . 18 1 1 A 206 206 VAL H H 212 7.400 8.828 -1.428 1 1 2316 . 18 1 1 A 206 206 VAL HA H 212 5.032 4.551 0.481 1 1 2324 . 18 1 1 A 206 206 VAL C C 212 174.500 175.130 -0.630 1 1 2325 . 18 1 1 A 206 206 VAL CA C 212 58.764 61.181 -2.417 1 1 2326 . 18 1 1 A 206 206 VAL CB C 212 30.512 35.286 -4.774 1 1 2329 . 18 1 1 A 206 206 VAL N N 212 117.101 123.607 -6.506 1 1 2330 . 18 1 1 A 207 207 LEU H H 213 8.961 8.818 0.143 1 1 2331 . 18 1 1 A 207 207 LEU HA H 213 5.312 4.506 0.806 1 1 2341 . 18 1 1 A 207 207 LEU C C 213 175.520 175.868 -0.348 1 1 2342 . 18 1 1 A 207 207 LEU CA C 213 52.630 54.541 -1.911 1 1 2343 . 18 1 1 A 207 207 LEU CB C 213 45.567 42.367 3.200 1 1 2347 . 18 1 1 A 207 207 LEU N N 213 124.185 128.480 -4.295 1 1 2348 . 18 1 1 A 208 208 TYR H H 214 8.836 8.572 0.264 1 1 2349 . 18 1 1 A 208 208 TYR HA H 214 4.766 4.867 -0.101 1 1 2356 . 18 1 1 A 208 208 TYR C C 214 175.964 175.385 0.579 1 1 2357 . 18 1 1 A 208 208 TYR CA C 214 56.943 57.400 -0.457 1 1 2358 . 18 1 1 A 208 208 TYR CB C 214 41.736 40.576 1.160 1 1 2359 . 18 1 1 A 208 208 TYR N N 214 120.202 121.959 -1.757 1 1 2360 . 18 1 1 A 209 209 ASN H H 215 9.292 9.133 0.159 1 1 2361 . 18 1 1 A 209 209 ASN HA H 215 4.001 4.283 -0.282 1 1 2366 . 18 1 1 A 209 209 ASN C C 215 174.336 174.313 0.023 1 1 2367 . 18 1 1 A 209 209 ASN CA C 215 53.923 54.121 -0.198 1 1 2368 . 18 1 1 A 209 209 ASN CB C 215 36.468 37.074 -0.606 1 1 2369 . 18 1 1 A 209 209 ASN N N 215 129.805 125.564 4.241 1 1 2371 . 18 1 1 A 210 210 GLN H H 216 8.614 8.483 0.131 1 1 2372 . 18 1 1 A 210 210 GLN HA H 216 3.453 3.818 -0.365 1 1 2379 . 18 1 1 A 210 210 GLN C C 216 173.521 174.647 -1.126 1 1 2380 . 18 1 1 A 210 210 GLN CA C 216 57.881 57.128 0.753 1 1 2381 . 18 1 1 A 210 210 GLN CB C 216 26.089 26.493 -0.404 1 1 2383 . 18 1 1 A 210 210 GLN N N 216 106.396 109.455 -3.059 1 1 2385 . 18 1 1 A 211 211 ALA H H 217 7.657 7.549 0.108 1 1 2386 . 18 1 1 A 211 211 ALA HA H 217 4.608 4.547 0.061 1 1 2390 . 18 1 1 A 211 211 ALA C C 217 176.432 177.020 -0.588 1 1 2391 . 18 1 1 A 211 211 ALA CA C 217 50.786 50.986 -0.200 1 1 2392 . 18 1 1 A 211 211 ALA CB C 217 20.499 20.920 -0.421 1 1 2393 . 18 1 1 A 211 211 ALA N N 217 123.338 118.440 4.898 1 1 2394 . 18 1 1 A 212 212 GLU H H 218 8.712 8.745 -0.033 1 1 2395 . 18 1 1 A 212 212 GLU HA H 218 4.525 4.244 0.281 1 1 2400 . 18 1 1 A 212 212 GLU C C 218 177.924 174.390 3.534 1 1 2401 . 18 1 1 A 212 212 GLU CA C 218 57.550 58.447 -0.897 1 1 2402 . 18 1 1 A 212 212 GLU CB C 218 28.811 28.922 -0.111 1 1 2404 . 18 1 1 A 212 212 GLU N N 218 122.631 116.831 5.800 1 1 2405 . 18 1 1 A 213 213 LYS H H 219 8.835 8.664 0.171 1 1 2406 . 18 1 1 A 213 213 LYS HA H 219 4.612 4.820 -0.208 1 1 2415 . 18 1 1 A 213 213 LYS C C 219 173.786 175.495 -1.709 1 1 2416 . 18 1 1 A 213 213 LYS CA C 219 53.115 55.442 -2.327 1 1 2417 . 18 1 1 A 213 213 LYS CB C 219 34.180 33.833 0.347 1 1 2421 . 18 1 1 A 213 213 LYS N N 219 126.870 121.576 5.294 1 1 2422 . 18 1 1 A 214 214 GLY H H 220 7.929 9.031 -1.102 1 1 2423 . 18 1 1 A 214 214 GLY HA2 H 220 5.469 4.140 1.329 1 1 2424 . 18 1 1 A 214 214 GLY HA3 H 220 3.719 4.144 -0.425 1 1 2425 . 18 1 1 A 214 214 GLY C C 220 173.926 172.893 1.033 1 1 2426 . 18 1 1 A 214 214 GLY CA C 220 44.536 44.006 0.530 1 1 2427 . 18 1 1 A 214 214 GLY N N 220 107.019 112.850 -5.831 1 1 2428 . 18 1 1 A 215 215 SER H H 221 8.678 8.376 0.302 1 1 2429 . 18 1 1 A 215 215 SER HA H 221 5.460 5.603 -0.143 1 1 2432 . 18 1 1 A 215 215 SER C C 221 171.043 173.123 -2.080 1 1 2433 . 18 1 1 A 215 215 SER CA C 221 56.810 57.123 -0.313 1 1 2434 . 18 1 1 A 215 215 SER CB C 221 66.671 66.561 0.110 1 1 2435 . 18 1 1 A 215 215 SER N N 221 117.334 113.447 3.887 1 1 2436 . 18 1 1 A 216 216 TYR H H 222 8.958 9.156 -0.198 1 1 2437 . 18 1 1 A 216 216 TYR HA H 222 5.389 5.695 -0.306 1 1 2445 . 18 1 1 A 216 216 TYR C C 222 172.789 172.685 0.104 1 1 2446 . 18 1 1 A 216 216 TYR CA C 222 55.819 55.515 0.304 1 1 2447 . 18 1 1 A 216 216 TYR CB C 222 41.681 42.609 -0.928 1 1 2448 . 18 1 1 A 216 216 TYR N N 222 117.645 118.970 -1.325 1 1 2449 . 18 1 1 A 217 217 SER H H 223 8.837 9.037 -0.200 1 1 2450 . 18 1 1 A 217 217 SER HA H 223 5.165 5.169 -0.004 1 1 2453 . 18 1 1 A 217 217 SER C C 223 173.125 172.381 0.744 1 1 2454 . 18 1 1 A 217 217 SER CA C 223 56.600 56.567 0.033 1 1 2455 . 18 1 1 A 217 217 SER CB C 223 64.500 65.008 -0.508 1 1 2456 . 18 1 1 A 217 217 SER N N 223 115.593 115.687 -0.094 1 1 2457 . 18 1 1 A 218 218 LEU H H 224 9.299 8.695 0.604 1 1 2458 . 18 1 1 A 218 218 LEU HA H 224 4.748 4.826 -0.078 1 1 2468 . 18 1 1 A 218 218 LEU C C 224 175.567 174.668 0.899 1 1 2469 . 18 1 1 A 218 218 LEU CA C 224 53.138 53.677 -0.539 1 1 2470 . 18 1 1 A 218 218 LEU CB C 224 46.255 44.849 1.406 1 1 2474 . 18 1 1 A 218 218 LEU N N 224 123.523 122.010 1.513 1 1 2475 . 18 1 1 A 219 219 GLY H H 225 9.041 8.065 0.976 1 1 2476 . 18 1 1 A 219 219 GLY HA2 H 225 4.620 3.704 0.916 1 1 2477 . 18 1 1 A 219 219 GLY HA3 H 225 3.413 3.982 -0.569 1 1 2478 . 18 1 1 A 219 219 GLY C C 225 171.514 171.278 0.236 1 1 2479 . 18 1 1 A 219 219 GLY CA C 225 43.777 43.255 0.522 1 1 2480 . 18 1 1 A 219 219 GLY N N 225 108.999 105.980 3.019 1 1 2481 . 18 1 1 A 220 220 ILE H H 226 6.853 8.359 -1.506 1 1 2482 . 18 1 1 A 220 220 ILE HA H 226 4.615 4.430 0.185 1 1 2492 . 18 1 1 A 220 220 ILE C C 226 174.750 174.766 -0.016 1 1 2493 . 18 1 1 A 220 220 ILE CA C 226 60.421 59.699 0.722 1 1 2494 . 18 1 1 A 220 220 ILE CB C 226 38.213 39.062 -0.849 1 1 2498 . 18 1 1 A 220 220 ILE N N 226 120.223 120.687 -0.464 1 1 2499 . 18 1 1 A 221 221 PHE H H 227 9.392 8.585 0.807 1 1 2500 . 18 1 1 A 221 221 PHE HA H 227 4.770 5.293 -0.523 1 1 2507 . 18 1 1 A 221 221 PHE C C 227 175.093 175.482 -0.389 1 1 2508 . 18 1 1 A 221 221 PHE CA C 227 58.053 56.573 1.480 1 1 2509 . 18 1 1 A 221 221 PHE CB C 227 42.505 42.233 0.272 1 1 2510 . 18 1 1 A 221 221 PHE N N 227 128.229 125.742 2.487 1 1 2511 . 18 1 1 A 222 222 GLY H H 228 8.675 8.546 0.129 1 1 2512 . 18 1 1 A 222 222 GLY HA2 H 228 3.174 3.869 -0.695 1 1 2513 . 18 1 1 A 222 222 GLY HA3 H 228 4.311 3.952 0.359 1 1 2514 . 18 1 1 A 222 222 GLY CA C 228 42.438 44.594 -2.156 1 1 2515 . 18 1 1 A 222 222 GLY N N 228 104.634 111.172 -6.538 1 1 2516 . 18 1 1 A 223 223 GLY CA C 229 46.870 47.001 -0.131 1 1 2517 . 18 1 1 A 224 224 LYS H H 230 8.366 7.517 0.849 1 1 2518 . 18 1 1 A 224 224 LYS HA H 230 4.305 4.579 -0.274 1 1 2523 . 18 1 1 A 224 224 LYS C C 230 174.717 175.813 -1.096 1 1 2524 . 18 1 1 A 224 224 LYS CA C 230 54.119 54.921 -0.802 1 1 2525 . 18 1 1 A 224 224 LYS CB C 230 30.821 32.219 -1.398 1 1 2527 . 18 1 1 A 224 224 LYS N N 230 118.720 115.753 2.967 1 1 2528 . 18 1 1 A 225 225 ALA H H 231 7.633 7.912 -0.279 1 1 2529 . 18 1 1 A 225 225 ALA HA H 231 3.810 4.222 -0.412 1 1 2533 . 18 1 1 A 225 225 ALA C C 231 176.702 177.324 -0.622 1 1 2534 . 18 1 1 A 225 225 ALA CA C 231 51.868 53.077 -1.209 1 1 2535 . 18 1 1 A 225 225 ALA CB C 231 16.117 17.600 -1.483 1 1 2536 . 18 1 1 A 225 225 ALA N N 231 118.077 118.618 -0.541 1 1 2537 . 18 1 1 A 226 226 GLN H H 232 9.387 8.115 1.272 1 1 2538 . 18 1 1 A 226 226 GLN HA H 232 3.877 4.267 -0.390 1 1 2543 . 18 1 1 A 226 226 GLN C C 232 175.992 176.198 -0.206 1 1 2544 . 18 1 1 A 226 226 GLN CA C 232 60.989 58.267 2.722 1 1 2545 . 18 1 1 A 226 226 GLN CB C 232 28.695 29.405 -0.710 1 1 2547 . 18 1 1 A 226 226 GLN N N 232 117.991 115.612 2.379 1 1 2548 . 18 1 1 A 227 227 GLU H H 233 8.825 7.487 1.338 1 1 2549 . 18 1 1 A 227 227 GLU HA H 233 5.411 4.843 0.568 1 1 2554 . 18 1 1 A 227 227 GLU C C 233 174.939 174.063 0.876 1 1 2555 . 18 1 1 A 227 227 GLU CA C 233 54.289 55.519 -1.230 1 1 2556 . 18 1 1 A 227 227 GLU CB C 233 33.797 31.866 1.931 1 1 2558 . 18 1 1 A 227 227 GLU N N 233 116.638 115.170 1.468 1 1 2559 . 18 1 1 A 228 228 VAL H H 234 8.343 8.957 -0.614 1 1 2560 . 18 1 1 A 228 228 VAL HA H 234 5.544 4.999 0.545 1 1 2568 . 18 1 1 A 228 228 VAL C C 234 174.839 174.357 0.482 1 1 2569 . 18 1 1 A 228 228 VAL CA C 234 57.867 59.913 -2.046 1 1 2570 . 18 1 1 A 228 228 VAL CB C 234 35.379 35.955 -0.576 1 1 2573 . 18 1 1 A 228 228 VAL N N 234 109.304 115.307 -6.003 1 1 2574 . 18 1 1 A 229 229 ALA H H 235 8.475 8.737 -0.262 1 1 2575 . 18 1 1 A 229 229 ALA HA H 235 4.937 5.185 -0.248 1 1 2579 . 18 1 1 A 229 229 ALA C C 235 176.417 176.067 0.350 1 1 2580 . 18 1 1 A 229 229 ALA CA C 235 51.303 51.197 0.106 1 1 2581 . 18 1 1 A 229 229 ALA CB C 235 20.301 23.424 -3.123 1 1 2582 . 18 1 1 A 229 229 ALA N N 235 120.653 123.725 -3.072 1 1 2583 . 18 1 1 A 230 230 GLY H H 236 9.361 7.982 1.379 1 1 2584 . 18 1 1 A 230 230 GLY HA2 H 236 5.075 4.243 0.832 1 1 2585 . 18 1 1 A 230 230 GLY HA3 H 236 4.017 4.281 -0.264 1 1 2586 . 18 1 1 A 230 230 GLY C C 236 170.130 171.971 -1.841 1 1 2587 . 18 1 1 A 230 230 GLY CA C 236 46.221 45.998 0.223 1 1 2588 . 18 1 1 A 230 230 GLY N N 236 111.104 106.119 4.985 1 1 2589 . 18 1 1 A 231 231 SER H H 237 8.889 8.825 0.064 1 1 2590 . 18 1 1 A 231 231 SER HA H 237 5.276 5.388 -0.112 1 1 2593 . 18 1 1 A 231 231 SER C C 237 171.360 173.106 -1.746 1 1 2594 . 18 1 1 A 231 231 SER CA C 237 56.498 57.314 -0.816 1 1 2595 . 18 1 1 A 231 231 SER CB C 237 66.398 66.574 -0.176 1 1 2596 . 18 1 1 A 231 231 SER N N 237 115.308 115.768 -0.460 1 1 2597 . 18 1 1 A 232 232 ALA H H 238 9.083 8.975 0.108 1 1 2598 . 18 1 1 A 232 232 ALA HA H 238 5.148 5.360 -0.212 1 1 2602 . 18 1 1 A 232 232 ALA C C 238 174.537 175.242 -0.705 1 1 2603 . 18 1 1 A 232 232 ALA CA C 238 49.904 50.517 -0.613 1 1 2604 . 18 1 1 A 232 232 ALA CB C 238 21.729 22.599 -0.870 1 1 2605 . 18 1 1 A 232 232 ALA N N 238 119.911 123.853 -3.942 1 1 2606 . 18 1 1 A 233 233 GLU H H 239 9.015 8.972 0.043 1 1 2607 . 18 1 1 A 233 233 GLU HA H 239 4.631 5.165 -0.534 1 1 2612 . 18 1 1 A 233 233 GLU C C 239 174.122 174.186 -0.064 1 1 2613 . 18 1 1 A 233 233 GLU CA C 239 54.786 54.655 0.131 1 1 2614 . 18 1 1 A 233 233 GLU CB C 239 31.355 32.823 -1.468 1 1 2616 . 18 1 1 A 233 233 GLU N N 239 122.744 122.715 0.029 1 1 2617 . 18 1 1 A 234 234 VAL H H 240 8.792 9.002 -0.210 1 1 2618 . 18 1 1 A 234 234 VAL HA H 240 4.394 4.697 -0.303 1 1 2623 . 18 1 1 A 234 234 VAL C C 240 174.833 174.639 0.194 1 1 2624 . 18 1 1 A 234 234 VAL CA C 240 61.427 59.709 1.718 1 1 2625 . 18 1 1 A 234 234 VAL CB C 240 33.863 34.125 -0.262 1 1 2627 . 18 1 1 A 234 234 VAL N N 240 124.203 126.502 -2.299 1 1 2628 . 18 1 1 A 235 235 LYS H H 241 8.841 8.747 0.094 1 1 2629 . 18 1 1 A 235 235 LYS HA H 241 3.981 4.864 -0.883 1 1 2638 . 18 1 1 A 235 235 LYS C C 241 174.548 175.279 -0.731 1 1 2639 . 18 1 1 A 235 235 LYS CA C 241 55.955 54.907 1.048 1 1 2640 . 18 1 1 A 235 235 LYS CB C 241 32.100 34.567 -2.467 1 1 2644 . 18 1 1 A 235 235 LYS N N 241 127.554 128.761 -1.207 1 1 2645 . 18 1 1 A 236 236 THR H H 242 7.212 8.561 -1.349 1 1 2646 . 18 1 1 A 236 236 THR HA H 242 4.355 4.693 -0.338 1 1 2651 . 18 1 1 A 236 236 THR C C 242 176.482 175.023 1.459 1 1 2652 . 18 1 1 A 236 236 THR CA C 242 61.054 61.155 -0.101 1 1 2653 . 18 1 1 A 236 236 THR CB C 242 72.642 73.086 -0.444 1 1 2655 . 18 1 1 A 236 236 THR N N 242 114.463 114.857 -0.394 1 1 2656 . 18 1 1 A 237 237 VAL H H 243 9.582 8.853 0.729 1 1 2657 . 18 1 1 A 237 237 VAL HA H 243 3.849 3.874 -0.025 1 1 2665 . 18 1 1 A 237 237 VAL C C 243 176.201 176.762 -0.561 1 1 2666 . 18 1 1 A 237 237 VAL CA C 243 64.701 65.506 -0.805 1 1 2667 . 18 1 1 A 237 237 VAL CB C 243 31.028 31.543 -0.515 1 1 2669 . 18 1 1 A 237 237 VAL N N 243 120.670 122.850 -2.180 1 1 2670 . 18 1 1 A 238 238 ASN H H 244 7.572 8.005 -0.433 1 1 2671 . 18 1 1 A 238 238 ASN HA H 244 4.882 4.830 0.052 1 1 2676 . 18 1 1 A 238 238 ASN C C 244 173.835 175.572 -1.737 1 1 2677 . 18 1 1 A 238 238 ASN CA C 244 52.022 53.261 -1.239 1 1 2678 . 18 1 1 A 238 238 ASN CB C 244 39.176 38.696 0.480 1 1 2679 . 18 1 1 A 238 238 ASN N N 244 115.638 118.486 -2.848 1 1 2681 . 18 1 1 A 239 239 GLY H H 245 7.362 7.788 -0.426 1 1 2682 . 18 1 1 A 239 239 GLY HA2 H 245 4.539 4.095 0.444 1 1 2683 . 18 1 1 A 239 239 GLY HA3 H 245 3.728 4.105 -0.377 1 1 2684 . 18 1 1 A 239 239 GLY C C 245 174.343 173.141 1.202 1 1 2685 . 18 1 1 A 239 239 GLY CA C 245 43.316 45.095 -1.779 1 1 2686 . 18 1 1 A 239 239 GLY N N 245 107.650 106.350 1.300 1 1 2687 . 18 1 1 A 240 240 ILE H H 246 8.672 8.377 0.295 1 1 2688 . 18 1 1 A 240 240 ILE HA H 246 4.351 4.835 -0.484 1 1 2698 . 18 1 1 A 240 240 ILE C C 246 176.899 174.280 2.619 1 1 2699 . 18 1 1 A 240 240 ILE CA C 246 61.120 59.459 1.661 1 1 2700 . 18 1 1 A 240 240 ILE CB C 246 36.906 41.609 -4.703 1 1 2704 . 18 1 1 A 240 240 ILE N N 246 122.673 122.340 0.333 1 1 2705 . 18 1 1 A 241 241 ARG H H 247 9.233 8.728 0.505 1 1 2706 . 18 1 1 A 241 241 ARG HA H 247 4.370 5.130 -0.760 1 1 2713 . 18 1 1 A 241 241 ARG C C 247 173.925 174.786 -0.861 1 1 2714 . 18 1 1 A 241 241 ARG CA C 247 53.461 54.022 -0.561 1 1 2715 . 18 1 1 A 241 241 ARG CB C 247 31.910 34.364 -2.454 1 1 2718 . 18 1 1 A 241 241 ARG N N 247 128.497 127.277 1.220 1 1 2719 . 18 1 1 A 242 242 HIS H H 248 8.519 8.746 -0.227 1 1 2720 . 18 1 1 A 242 242 HIS HA H 248 5.323 5.551 -0.228 1 1 2725 . 18 1 1 A 242 242 HIS C C 248 174.635 174.748 -0.113 1 1 2726 . 18 1 1 A 242 242 HIS CA C 248 55.759 54.097 1.662 1 1 2727 . 18 1 1 A 242 242 HIS CB C 248 32.921 33.008 -0.087 1 1 2728 . 18 1 1 A 242 242 HIS N N 248 121.131 118.547 2.584 1 1 2729 . 18 1 1 A 243 243 ILE H H 249 8.723 9.117 -0.394 1 1 2730 . 18 1 1 A 243 243 ILE HA H 249 4.522 4.753 -0.231 1 1 2740 . 18 1 1 A 243 243 ILE C C 249 176.188 175.438 0.750 1 1 2741 . 18 1 1 A 243 243 ILE CA C 249 58.524 59.781 -1.257 1 1 2742 . 18 1 1 A 243 243 ILE CB C 249 41.977 42.506 -0.529 1 1 2746 . 18 1 1 A 243 243 ILE N N 249 119.438 122.191 -2.753 1 1 2747 . 18 1 1 A 244 244 GLY H H 250 9.351 8.797 0.554 1 1 2748 . 18 1 1 A 244 244 GLY HA2 H 250 3.707 2.984 0.723 1 1 2749 . 18 1 1 A 244 244 GLY HA3 H 250 2.119 3.865 -1.746 1 1 2750 . 18 1 1 A 244 244 GLY C C 250 170.981 171.902 -0.921 1 1 2751 . 18 1 1 A 244 244 GLY CA C 250 44.178 44.112 0.066 1 1 2752 . 18 1 1 A 244 244 GLY N N 250 113.700 113.711 -0.011 1 1 2753 . 18 1 1 A 245 245 LEU H H 251 7.833 8.448 -0.615 1 1 2754 . 18 1 1 A 245 245 LEU HA H 251 4.717 4.947 -0.230 1 1 2764 . 18 1 1 A 245 245 LEU C C 251 174.501 175.990 -1.489 1 1 2765 . 18 1 1 A 245 245 LEU CA C 251 52.508 53.628 -1.120 1 1 2766 . 18 1 1 A 245 245 LEU CB C 251 46.764 43.725 3.039 1 1 2770 . 18 1 1 A 245 245 LEU N N 251 120.798 124.222 -3.424 1 1 2771 . 18 1 1 A 246 246 ALA H H 252 7.906 8.666 -0.760 1 1 2772 . 18 1 1 A 246 246 ALA HA H 252 4.589 4.970 -0.381 1 1 2776 . 18 1 1 A 246 246 ALA C C 252 173.363 175.534 -2.171 1 1 2777 . 18 1 1 A 246 246 ALA CA C 252 51.546 51.586 -0.040 1 1 2778 . 18 1 1 A 246 246 ALA CB C 252 21.524 20.645 0.879 1 1 2779 . 18 1 1 A 246 246 ALA N N 252 122.885 124.560 -1.675 1 1 2780 . 18 1 1 A 247 247 ALA H H 253 9.041 8.598 0.443 1 1 2781 . 18 1 1 A 247 247 ALA HA H 253 4.726 5.172 -0.446 1 1 2785 . 18 1 1 A 247 247 ALA C C 253 174.897 175.446 -0.549 1 1 2786 . 18 1 1 A 247 247 ALA CA C 253 51.723 50.824 0.899 1 1 2787 . 18 1 1 A 247 247 ALA CB C 253 22.967 23.573 -0.606 1 1 2788 . 18 1 1 A 247 247 ALA N N 253 122.967 125.218 -2.251 1 1 2789 . 18 1 1 A 248 248 LYS H H 254 8.171 8.849 -0.678 1 1 2790 . 18 1 1 A 248 248 LYS HA H 254 5.731 5.187 0.544 1 1 2797 . 18 1 1 A 248 248 LYS C C 254 175.094 174.840 0.254 1 1 2798 . 18 1 1 A 248 248 LYS CA C 254 53.866 54.418 -0.552 1 1 2799 . 18 1 1 A 248 248 LYS CB C 254 36.312 36.042 0.270 1 1 2802 . 18 1 1 A 248 248 LYS N N 254 115.734 122.516 -6.782 1 1 60 . 19 1 1 A 9 9 GLY H H 15 8.346 8.800 -0.454 1 1 61 . 19 1 1 A 9 9 GLY HA2 H 15 4.021 3.888 0.133 1 1 62 . 19 1 1 A 9 9 GLY HA3 H 15 3.772 3.895 -0.123 1 1 63 . 19 1 1 A 9 9 GLY C C 15 174.259 175.291 -1.032 1 1 64 . 19 1 1 A 9 9 GLY CA C 15 45.581 46.313 -0.732 1 1 65 . 19 1 1 A 9 9 GLY N N 15 107.368 111.798 -4.430 1 1 66 . 19 1 1 A 10 10 LEU H H 16 7.224 7.783 -0.559 1 1 67 . 19 1 1 A 10 10 LEU HA H 16 3.736 4.136 -0.400 1 1 77 . 19 1 1 A 10 10 LEU C C 16 178.202 179.385 -1.183 1 1 78 . 19 1 1 A 10 10 LEU CA C 16 57.915 57.319 0.596 1 1 79 . 19 1 1 A 10 10 LEU CB C 16 40.686 41.480 -0.794 1 1 83 . 19 1 1 A 10 10 LEU N N 16 117.616 122.573 -4.957 1 1 84 . 19 1 1 A 11 11 ALA H H 17 7.860 7.961 -0.101 1 1 85 . 19 1 1 A 11 11 ALA HA H 17 3.937 3.996 -0.059 1 1 89 . 19 1 1 A 11 11 ALA C C 17 181.090 178.877 2.213 1 1 90 . 19 1 1 A 11 11 ALA CA C 17 54.860 55.398 -0.538 1 1 91 . 19 1 1 A 11 11 ALA CB C 17 17.248 18.149 -0.901 1 1 92 . 19 1 1 A 11 11 ALA N N 17 117.757 122.277 -4.520 1 1 93 . 19 1 1 A 12 12 ASP H H 18 8.017 8.255 -0.238 1 1 94 . 19 1 1 A 12 12 ASP HA H 18 4.223 4.344 -0.121 1 1 97 . 19 1 1 A 12 12 ASP C C 18 177.941 178.111 -0.170 1 1 98 . 19 1 1 A 12 12 ASP CA C 18 56.341 57.103 -0.762 1 1 99 . 19 1 1 A 12 12 ASP CB C 18 39.312 41.141 -1.829 1 1 100 . 19 1 1 A 12 12 ASP N N 18 118.410 119.008 -0.598 1 1 101 . 19 1 1 A 13 13 ALA H H 19 8.205 8.157 0.048 1 1 102 . 19 1 1 A 13 13 ALA HA H 19 3.952 4.328 -0.376 1 1 106 . 19 1 1 A 13 13 ALA C C 19 178.856 179.916 -1.060 1 1 107 . 19 1 1 A 13 13 ALA CA C 19 55.039 54.891 0.148 1 1 108 . 19 1 1 A 13 13 ALA CB C 19 17.779 18.406 -0.627 1 1 109 . 19 1 1 A 13 13 ALA N N 19 121.480 121.752 -0.272 1 1 110 . 19 1 1 A 14 14 LEU H H 20 7.217 8.066 -0.849 1 1 111 . 19 1 1 A 14 14 LEU HA H 20 4.258 4.160 0.098 1 1 121 . 19 1 1 A 14 14 LEU C C 20 177.544 178.172 -0.628 1 1 122 . 19 1 1 A 14 14 LEU CA C 20 55.511 57.277 -1.766 1 1 123 . 19 1 1 A 14 14 LEU CB C 20 42.176 41.849 0.327 1 1 126 . 19 1 1 A 14 14 LEU N N 20 113.410 119.047 -5.637 1 1 127 . 19 1 1 A 15 15 THR H H 21 7.624 7.770 -0.146 1 1 128 . 19 1 1 A 15 15 THR HA H 21 4.394 4.549 -0.155 1 1 133 . 19 1 1 A 15 15 THR C C 21 174.959 174.845 0.114 1 1 134 . 19 1 1 A 15 15 THR CA C 21 61.733 62.416 -0.683 1 1 135 . 19 1 1 A 15 15 THR CB C 21 71.514 69.761 1.753 1 1 137 . 19 1 1 A 15 15 THR N N 21 106.072 105.049 1.023 1 1 138 . 19 1 1 A 16 16 ALA H H 22 8.932 7.932 1.000 1 1 139 . 19 1 1 A 16 16 ALA HA H 22 4.624 4.824 -0.200 1 1 143 . 19 1 1 A 16 16 ALA C C 22 175.978 174.965 1.013 1 1 144 . 19 1 1 A 16 16 ALA CA C 22 50.681 49.815 0.866 1 1 145 . 19 1 1 A 16 16 ALA CB C 22 18.728 21.602 -2.874 1 1 146 . 19 1 1 A 16 16 ALA N N 22 127.789 122.295 5.494 1 1 147 . 19 1 1 A 17 17 PRO HA H 23 4.430 4.625 -0.195 1 1 154 . 19 1 1 A 17 17 PRO CA C 23 61.497 62.751 -1.254 1 1 155 . 19 1 1 A 17 17 PRO CB C 23 31.775 33.215 -1.440 1 1 158 . 19 1 1 A 18 18 LEU H H 24 8.154 8.340 -0.186 1 1 159 . 19 1 1 A 18 18 LEU HA H 24 3.894 4.898 -1.004 1 1 169 . 19 1 1 A 18 18 LEU C C 24 176.447 175.860 0.587 1 1 170 . 19 1 1 A 18 18 LEU CA C 24 55.510 53.162 2.348 1 1 171 . 19 1 1 A 18 18 LEU CB C 24 40.921 45.180 -4.259 1 1 175 . 19 1 1 A 18 18 LEU N N 24 121.010 117.569 3.441 1 1 176 . 19 1 1 A 19 19 ASP H H 25 8.758 8.888 -0.130 1 1 177 . 19 1 1 A 19 19 ASP HA H 25 4.626 4.570 0.056 1 1 180 . 19 1 1 A 19 19 ASP C C 25 176.425 175.638 0.787 1 1 181 . 19 1 1 A 19 19 ASP CA C 25 52.688 56.439 -3.751 1 1 182 . 19 1 1 A 19 19 ASP CB C 25 42.819 39.729 3.090 1 1 183 . 19 1 1 A 19 19 ASP N N 25 124.654 119.386 5.268 1 1 184 . 19 1 1 A 20 20 HIS HA H 26 4.272 4.744 -0.472 1 1 189 . 19 1 1 A 20 20 HIS CA C 26 58.100 56.705 1.395 1 1 190 . 19 1 1 A 20 20 HIS CB C 26 29.200 33.036 -3.836 1 1 191 . 19 1 1 A 21 21 LYS H H 27 8.348 8.037 0.311 1 1 192 . 19 1 1 A 21 21 LYS HA H 27 3.970 4.440 -0.470 1 1 201 . 19 1 1 A 21 21 LYS C C 27 177.393 176.647 0.746 1 1 202 . 19 1 1 A 21 21 LYS CA C 27 56.320 55.547 0.773 1 1 203 . 19 1 1 A 21 21 LYS CB C 27 30.950 34.641 -3.691 1 1 206 . 19 1 1 A 21 21 LYS N N 27 118.419 116.541 1.878 1 1 207 . 19 1 1 A 22 22 ASP H H 28 7.451 8.181 -0.730 1 1 208 . 19 1 1 A 22 22 ASP HA H 28 4.307 4.562 -0.255 1 1 211 . 19 1 1 A 22 22 ASP C C 28 176.212 175.903 0.309 1 1 212 . 19 1 1 A 22 22 ASP CA C 28 54.164 55.124 -0.960 1 1 213 . 19 1 1 A 22 22 ASP CB C 28 40.091 40.526 -0.435 1 1 214 . 19 1 1 A 22 22 ASP N N 28 120.045 120.293 -0.248 1 1 215 . 19 1 1 A 23 23 LYS H H 29 8.416 8.541 -0.125 1 1 216 . 19 1 1 A 23 23 LYS HA H 29 3.962 4.532 -0.570 1 1 225 . 19 1 1 A 23 23 LYS C C 29 177.409 176.683 0.726 1 1 226 . 19 1 1 A 23 23 LYS CA C 29 56.254 56.141 0.113 1 1 227 . 19 1 1 A 23 23 LYS CB C 29 31.950 34.614 -2.664 1 1 231 . 19 1 1 A 23 23 LYS N N 29 121.925 121.360 0.565 1 1 232 . 19 1 1 A 24 24 GLY H H 30 8.612 7.896 0.716 1 1 233 . 19 1 1 A 24 24 GLY HA2 H 30 3.655 4.011 -0.356 1 1 234 . 19 1 1 A 24 24 GLY HA3 H 30 3.519 4.126 -0.607 1 1 235 . 19 1 1 A 24 24 GLY CA C 30 44.788 45.468 -0.680 1 1 236 . 19 1 1 A 24 24 GLY N N 30 111.487 105.456 6.031 1 1 237 . 19 1 1 A 25 25 LEU H H 31 8.054 8.439 -0.385 1 1 238 . 19 1 1 A 25 25 LEU HA H 31 3.770 5.088 -1.318 1 1 248 . 19 1 1 A 25 25 LEU CA C 31 55.906 52.650 3.256 1 1 249 . 19 1 1 A 25 25 LEU CB C 31 44.428 45.342 -0.914 1 1 253 . 19 1 1 A 25 25 LEU N N 31 127.196 121.322 5.874 1 1 254 . 19 1 1 A 26 26 GLN H H 32 9.184 8.555 0.629 1 1 255 . 19 1 1 A 26 26 GLN HA H 32 3.437 4.559 -1.122 1 1 262 . 19 1 1 A 26 26 GLN C C 32 174.347 175.437 -1.090 1 1 263 . 19 1 1 A 26 26 GLN CA C 32 57.926 56.749 1.177 1 1 264 . 19 1 1 A 26 26 GLN CB C 32 27.721 28.968 -1.247 1 1 266 . 19 1 1 A 26 26 GLN N N 32 131.782 120.816 10.966 1 1 268 . 19 1 1 A 27 27 SER H H 33 7.240 7.616 -0.376 1 1 269 . 19 1 1 A 27 27 SER HA H 33 4.981 4.929 0.052 1 1 272 . 19 1 1 A 27 27 SER C C 33 171.111 172.128 -1.017 1 1 273 . 19 1 1 A 27 27 SER CA C 33 56.782 57.134 -0.352 1 1 274 . 19 1 1 A 27 27 SER CB C 33 64.611 65.463 -0.852 1 1 275 . 19 1 1 A 27 27 SER N N 33 108.936 114.032 -5.096 1 1 276 . 19 1 1 A 28 28 LEU H H 34 8.010 8.843 -0.833 1 1 277 . 19 1 1 A 28 28 LEU HA H 34 4.372 5.192 -0.820 1 1 287 . 19 1 1 A 28 28 LEU C C 34 174.697 174.051 0.646 1 1 288 . 19 1 1 A 28 28 LEU CA C 34 53.332 53.461 -0.129 1 1 289 . 19 1 1 A 28 28 LEU CB C 34 45.636 45.000 0.636 1 1 293 . 19 1 1 A 28 28 LEU N N 34 121.826 124.278 -2.452 1 1 294 . 19 1 1 A 29 29 THR H H 35 8.810 9.122 -0.312 1 1 295 . 19 1 1 A 29 29 THR HA H 35 4.046 4.992 -0.946 1 1 300 . 19 1 1 A 29 29 THR C C 35 172.792 173.656 -0.864 1 1 301 . 19 1 1 A 29 29 THR CA C 35 62.565 60.150 2.415 1 1 302 . 19 1 1 A 29 29 THR CB C 35 68.233 70.841 -2.608 1 1 304 . 19 1 1 A 29 29 THR N N 35 123.892 121.326 2.566 1 1 305 . 19 1 1 A 30 30 LEU H H 36 8.662 8.952 -0.290 1 1 306 . 19 1 1 A 30 30 LEU HA H 36 4.150 4.766 -0.616 1 1 316 . 19 1 1 A 30 30 LEU C C 36 174.707 176.778 -2.071 1 1 317 . 19 1 1 A 30 30 LEU CA C 36 53.789 53.924 -0.135 1 1 318 . 19 1 1 A 30 30 LEU CB C 36 40.562 41.884 -1.322 1 1 322 . 19 1 1 A 30 30 LEU N N 36 128.365 129.972 -1.607 1 1 323 . 19 1 1 A 31 31 ASP H H 37 8.500 8.217 0.283 1 1 324 . 19 1 1 A 31 31 ASP HA H 37 4.837 4.525 0.312 1 1 327 . 19 1 1 A 31 31 ASP CA C 37 54.657 55.964 -1.307 1 1 328 . 19 1 1 A 31 31 ASP CB C 37 43.089 40.298 2.791 1 1 329 . 19 1 1 A 31 31 ASP N N 37 123.194 120.841 2.353 1 1 330 . 19 1 1 A 32 32 GLN H H 38 10.453 7.933 2.520 1 1 331 . 19 1 1 A 32 32 GLN HA H 38 3.808 4.589 -0.781 1 1 338 . 19 1 1 A 32 32 GLN C C 38 178.535 176.789 1.746 1 1 339 . 19 1 1 A 32 32 GLN CA C 38 56.284 55.125 1.159 1 1 340 . 19 1 1 A 32 32 GLN CB C 38 28.175 29.779 -1.604 1 1 342 . 19 1 1 A 32 32 GLN N N 38 120.692 115.773 4.919 1 1 344 . 19 1 1 A 33 33 SER H H 39 8.523 8.159 0.364 1 1 345 . 19 1 1 A 33 33 SER HA H 39 4.081 4.601 -0.520 1 1 348 . 19 1 1 A 33 33 SER C C 39 171.792 174.165 -2.373 1 1 349 . 19 1 1 A 33 33 SER CA C 39 61.436 59.476 1.960 1 1 350 . 19 1 1 A 33 33 SER CB C 39 63.008 64.422 -1.414 1 1 351 . 19 1 1 A 33 33 SER N N 39 111.712 112.777 -1.065 1 1 352 . 19 1 1 A 34 34 VAL H H 40 6.691 7.983 -1.292 1 1 353 . 19 1 1 A 34 34 VAL HA H 40 3.890 4.709 -0.819 1 1 361 . 19 1 1 A 34 34 VAL C C 40 172.251 174.425 -2.174 1 1 362 . 19 1 1 A 34 34 VAL CA C 40 60.415 59.835 0.580 1 1 363 . 19 1 1 A 34 34 VAL CB C 40 32.306 35.507 -3.201 1 1 366 . 19 1 1 A 34 34 VAL N N 40 115.971 119.132 -3.161 1 1 367 . 19 1 1 A 35 35 ARG H H 41 8.184 8.476 -0.292 1 1 368 . 19 1 1 A 35 35 ARG HA H 41 4.176 4.256 -0.080 1 1 375 . 19 1 1 A 35 35 ARG C C 41 176.886 177.711 -0.825 1 1 376 . 19 1 1 A 35 35 ARG CA C 41 55.599 56.893 -1.294 1 1 377 . 19 1 1 A 35 35 ARG CB C 41 30.569 31.034 -0.465 1 1 380 . 19 1 1 A 35 35 ARG N N 41 125.397 125.696 -0.299 1 1 381 . 19 1 1 A 36 36 LYS H H 42 8.493 8.806 -0.313 1 1 382 . 19 1 1 A 36 36 LYS HA H 42 3.778 4.241 -0.463 1 1 391 . 19 1 1 A 36 36 LYS C C 42 176.596 176.782 -0.186 1 1 392 . 19 1 1 A 36 36 LYS CA C 42 58.687 58.162 0.525 1 1 393 . 19 1 1 A 36 36 LYS CB C 42 31.959 31.998 -0.039 1 1 397 . 19 1 1 A 36 36 LYS N N 42 119.360 122.002 -2.642 1 1 398 . 19 1 1 A 37 37 ASN H H 43 8.513 7.850 0.663 1 1 399 . 19 1 1 A 37 37 ASN HA H 43 4.438 4.870 -0.432 1 1 404 . 19 1 1 A 37 37 ASN C C 43 173.867 175.041 -1.174 1 1 405 . 19 1 1 A 37 37 ASN CA C 43 55.127 54.023 1.104 1 1 406 . 19 1 1 A 37 37 ASN CB C 43 37.071 41.178 -4.107 1 1 407 . 19 1 1 A 37 37 ASN N N 43 115.488 114.924 0.564 1 1 409 . 19 1 1 A 38 38 GLU H H 44 7.793 7.960 -0.167 1 1 410 . 19 1 1 A 38 38 GLU HA H 44 4.772 4.671 0.101 1 1 413 . 19 1 1 A 38 38 GLU C C 44 175.262 175.726 -0.464 1 1 414 . 19 1 1 A 38 38 GLU CA C 44 54.808 54.930 -0.122 1 1 415 . 19 1 1 A 38 38 GLU CB C 44 32.321 30.774 1.547 1 1 416 . 19 1 1 A 38 38 GLU N N 44 118.734 117.442 1.292 1 1 417 . 19 1 1 A 39 39 LYS H H 45 8.706 8.496 0.210 1 1 418 . 19 1 1 A 39 39 LYS HA H 45 4.606 5.052 -0.446 1 1 427 . 19 1 1 A 39 39 LYS C C 45 174.312 175.324 -1.012 1 1 428 . 19 1 1 A 39 39 LYS CA C 45 52.782 54.907 -2.125 1 1 429 . 19 1 1 A 39 39 LYS CB C 45 35.174 35.638 -0.464 1 1 433 . 19 1 1 A 39 39 LYS N N 45 117.132 120.373 -3.241 1 1 434 . 19 1 1 A 40 40 LEU H H 46 9.085 8.950 0.135 1 1 435 . 19 1 1 A 40 40 LEU HA H 46 5.044 5.040 0.004 1 1 442 . 19 1 1 A 40 40 LEU C C 46 173.778 174.491 -0.713 1 1 443 . 19 1 1 A 40 40 LEU CA C 46 52.590 53.551 -0.961 1 1 444 . 19 1 1 A 40 40 LEU CB C 46 44.855 46.214 -1.359 1 1 447 . 19 1 1 A 40 40 LEU N N 46 125.335 124.115 1.220 1 1 448 . 19 1 1 A 41 41 LYS H H 47 9.263 8.947 0.316 1 1 449 . 19 1 1 A 41 41 LYS HA H 47 5.049 4.890 0.159 1 1 458 . 19 1 1 A 41 41 LYS C C 47 175.616 174.895 0.721 1 1 459 . 19 1 1 A 41 41 LYS CA C 47 53.864 54.784 -0.920 1 1 460 . 19 1 1 A 41 41 LYS CB C 47 32.986 35.224 -2.238 1 1 464 . 19 1 1 A 41 41 LYS N N 47 129.833 125.209 4.624 1 1 465 . 19 1 1 A 42 42 LEU H H 48 8.954 8.733 0.221 1 1 466 . 19 1 1 A 42 42 LEU HA H 48 5.458 5.182 0.276 1 1 476 . 19 1 1 A 42 42 LEU C C 48 175.565 175.871 -0.306 1 1 477 . 19 1 1 A 42 42 LEU CA C 48 51.964 53.071 -1.107 1 1 478 . 19 1 1 A 42 42 LEU CB C 48 44.393 44.809 -0.416 1 1 482 . 19 1 1 A 42 42 LEU N N 48 126.292 123.932 2.360 1 1 483 . 19 1 1 A 43 43 ALA H H 49 8.804 8.413 0.391 1 1 484 . 19 1 1 A 43 43 ALA HA H 49 5.304 5.258 0.046 1 1 488 . 19 1 1 A 43 43 ALA C C 49 176.301 175.670 0.631 1 1 489 . 19 1 1 A 43 43 ALA CA C 49 51.004 51.465 -0.461 1 1 490 . 19 1 1 A 43 43 ALA CB C 49 23.453 23.389 0.064 1 1 491 . 19 1 1 A 43 43 ALA N N 49 120.789 122.358 -1.569 1 1 492 . 19 1 1 A 44 44 ALA H H 50 8.117 8.609 -0.492 1 1 493 . 19 1 1 A 44 44 ALA HA H 50 4.485 4.448 0.037 1 1 497 . 19 1 1 A 44 44 ALA C C 50 176.254 176.757 -0.503 1 1 498 . 19 1 1 A 44 44 ALA CA C 50 53.021 51.639 1.382 1 1 499 . 19 1 1 A 44 44 ALA CB C 50 23.682 21.762 1.920 1 1 500 . 19 1 1 A 44 44 ALA N N 50 120.678 121.030 -0.352 1 1 501 . 19 1 1 A 45 45 GLN H H 51 9.035 9.318 -0.283 1 1 502 . 19 1 1 A 45 45 GLN HA H 51 3.774 3.906 -0.132 1 1 509 . 19 1 1 A 45 45 GLN C C 51 175.259 174.919 0.340 1 1 510 . 19 1 1 A 45 45 GLN CA C 51 56.074 56.681 -0.607 1 1 511 . 19 1 1 A 45 45 GLN CB C 51 27.339 27.573 -0.234 1 1 513 . 19 1 1 A 45 45 GLN N N 51 116.299 123.193 -6.894 1 1 515 . 19 1 1 A 46 46 GLY H H 52 8.441 8.500 -0.059 1 1 516 . 19 1 1 A 46 46 GLY HA2 H 52 4.066 3.786 0.280 1 1 517 . 19 1 1 A 46 46 GLY HA3 H 52 3.510 3.787 -0.277 1 1 518 . 19 1 1 A 46 46 GLY C C 52 173.050 173.744 -0.694 1 1 519 . 19 1 1 A 46 46 GLY CA C 52 44.998 45.266 -0.268 1 1 520 . 19 1 1 A 46 46 GLY N N 52 105.419 105.429 -0.010 1 1 521 . 19 1 1 A 47 47 ALA H H 53 8.152 7.631 0.521 1 1 522 . 19 1 1 A 47 47 ALA HA H 53 4.767 4.714 0.053 1 1 526 . 19 1 1 A 47 47 ALA C C 53 175.989 176.553 -0.564 1 1 527 . 19 1 1 A 47 47 ALA CA C 53 49.918 50.863 -0.945 1 1 528 . 19 1 1 A 47 47 ALA CB C 53 22.720 21.489 1.231 1 1 529 . 19 1 1 A 47 47 ALA N N 53 124.355 123.017 1.338 1 1 530 . 19 1 1 A 48 48 GLU H H 54 8.156 9.160 -1.004 1 1 531 . 19 1 1 A 48 48 GLU HA H 54 5.488 5.425 0.063 1 1 536 . 19 1 1 A 48 48 GLU C C 54 174.224 173.847 0.377 1 1 537 . 19 1 1 A 48 48 GLU CA C 54 54.346 54.661 -0.315 1 1 538 . 19 1 1 A 48 48 GLU CB C 54 34.305 33.819 0.486 1 1 540 . 19 1 1 A 48 48 GLU N N 54 116.655 116.646 0.009 1 1 541 . 19 1 1 A 49 49 LYS H H 55 8.852 8.824 0.028 1 1 542 . 19 1 1 A 49 49 LYS HA H 55 4.190 4.920 -0.730 1 1 549 . 19 1 1 A 49 49 LYS C C 55 172.887 174.694 -1.807 1 1 550 . 19 1 1 A 49 49 LYS CA C 55 56.414 54.806 1.608 1 1 551 . 19 1 1 A 49 49 LYS CB C 55 34.723 35.908 -1.185 1 1 554 . 19 1 1 A 49 49 LYS N N 55 122.922 120.970 1.952 1 1 555 . 19 1 1 A 50 50 THR H H 56 7.910 8.495 -0.585 1 1 556 . 19 1 1 A 50 50 THR HA H 56 4.908 4.901 0.007 1 1 561 . 19 1 1 A 50 50 THR C C 56 173.112 173.491 -0.379 1 1 562 . 19 1 1 A 50 50 THR CA C 56 61.998 61.029 0.969 1 1 563 . 19 1 1 A 50 50 THR CB C 56 68.596 70.202 -1.606 1 1 565 . 19 1 1 A 50 50 THR N N 56 120.811 116.090 4.721 1 1 566 . 19 1 1 A 51 51 TYR H H 57 9.432 9.145 0.287 1 1 567 . 19 1 1 A 51 51 TYR HA H 57 4.493 5.183 -0.690 1 1 574 . 19 1 1 A 51 51 TYR C C 57 174.156 175.390 -1.234 1 1 575 . 19 1 1 A 51 51 TYR CA C 57 57.375 55.783 1.592 1 1 576 . 19 1 1 A 51 51 TYR CB C 57 41.895 43.055 -1.160 1 1 577 . 19 1 1 A 51 51 TYR N N 57 127.372 121.160 6.212 1 1 578 . 19 1 1 A 52 52 GLY H H 58 9.154 8.310 0.844 1 1 579 . 19 1 1 A 52 52 GLY HA2 H 58 3.543 4.189 -0.646 1 1 580 . 19 1 1 A 52 52 GLY HA3 H 58 3.543 4.198 -0.655 1 1 581 . 19 1 1 A 52 52 GLY C C 58 172.527 174.028 -1.501 1 1 582 . 19 1 1 A 52 52 GLY CA C 58 42.304 46.045 -3.741 1 1 583 . 19 1 1 A 52 52 GLY N N 58 108.920 108.900 0.020 1 1 584 . 19 1 1 A 53 53 ASN H H 59 8.877 9.370 -0.493 1 1 585 . 19 1 1 A 53 53 ASN HA H 59 4.034 4.353 -0.319 1 1 588 . 19 1 1 A 53 53 ASN C C 59 176.319 174.597 1.722 1 1 589 . 19 1 1 A 53 53 ASN CA C 59 57.108 53.995 3.113 1 1 590 . 19 1 1 A 53 53 ASN CB C 59 39.672 37.450 2.222 1 1 591 . 19 1 1 A 53 53 ASN N N 59 117.281 122.591 -5.310 1 1 592 . 19 1 1 A 54 54 GLY H H 60 8.949 8.601 0.348 1 1 593 . 19 1 1 A 54 54 GLY HA2 H 60 4.222 3.997 0.225 1 1 594 . 19 1 1 A 54 54 GLY HA3 H 60 3.348 4.006 -0.658 1 1 595 . 19 1 1 A 54 54 GLY C C 60 174.096 173.281 0.815 1 1 596 . 19 1 1 A 54 54 GLY CA C 60 44.931 44.660 0.271 1 1 597 . 19 1 1 A 54 54 GLY N N 60 114.860 105.836 9.024 1 1 598 . 19 1 1 A 55 55 ASP H H 61 7.991 8.350 -0.359 1 1 599 . 19 1 1 A 55 55 ASP HA H 61 4.493 5.178 -0.685 1 1 602 . 19 1 1 A 55 55 ASP C C 61 174.727 174.031 0.696 1 1 603 . 19 1 1 A 55 55 ASP CA C 61 54.408 52.400 2.008 1 1 604 . 19 1 1 A 55 55 ASP CB C 61 41.780 44.152 -2.372 1 1 605 . 19 1 1 A 55 55 ASP N N 61 121.974 122.442 -0.468 1 1 606 . 19 1 1 A 56 56 SER H H 62 8.485 8.809 -0.324 1 1 607 . 19 1 1 A 56 56 SER HA H 62 4.959 5.388 -0.429 1 1 610 . 19 1 1 A 56 56 SER C C 62 173.099 172.390 0.709 1 1 611 . 19 1 1 A 56 56 SER CA C 62 57.154 56.507 0.647 1 1 612 . 19 1 1 A 56 56 SER CB C 62 64.522 64.592 -0.070 1 1 613 . 19 1 1 A 56 56 SER N N 62 113.088 115.237 -2.149 1 1 614 . 19 1 1 A 57 57 LEU H H 63 9.004 8.895 0.109 1 1 615 . 19 1 1 A 57 57 LEU HA H 63 4.500 4.673 -0.173 1 1 625 . 19 1 1 A 57 57 LEU C C 63 175.943 175.832 0.111 1 1 626 . 19 1 1 A 57 57 LEU CA C 63 53.070 54.612 -1.542 1 1 627 . 19 1 1 A 57 57 LEU CB C 63 43.800 42.906 0.894 1 1 630 . 19 1 1 A 57 57 LEU N N 63 126.423 128.650 -2.227 1 1 631 . 19 1 1 A 58 58 ASN H H 64 8.484 8.717 -0.233 1 1 632 . 19 1 1 A 58 58 ASN HA H 64 4.752 4.784 -0.032 1 1 635 . 19 1 1 A 58 58 ASN C C 64 173.916 175.584 -1.668 1 1 636 . 19 1 1 A 58 58 ASN CA C 64 50.587 53.783 -3.196 1 1 637 . 19 1 1 A 58 58 ASN CB C 64 35.153 38.650 -3.497 1 1 638 . 19 1 1 A 58 58 ASN N N 64 125.624 125.569 0.055 1 1 639 . 19 1 1 A 59 59 THR H H 65 7.747 8.916 -1.169 1 1 640 . 19 1 1 A 59 59 THR HA H 65 4.770 4.611 0.159 1 1 645 . 19 1 1 A 59 59 THR C C 65 177.245 174.659 2.586 1 1 646 . 19 1 1 A 59 59 THR CA C 65 63.213 61.496 1.717 1 1 647 . 19 1 1 A 59 59 THR CB C 65 63.510 70.441 -6.931 1 1 649 . 19 1 1 A 59 59 THR N N 65 113.770 118.424 -4.654 1 1 650 . 19 1 1 A 60 60 GLY H H 66 8.869 8.199 0.670 1 1 651 . 19 1 1 A 60 60 GLY HA2 H 66 3.839 3.955 -0.116 1 1 652 . 19 1 1 A 60 60 GLY HA3 H 66 3.724 3.958 -0.234 1 1 653 . 19 1 1 A 60 60 GLY C C 66 173.279 174.520 -1.241 1 1 654 . 19 1 1 A 60 60 GLY CA C 66 44.892 45.462 -0.570 1 1 655 . 19 1 1 A 60 60 GLY N N 66 114.430 109.672 4.758 1 1 656 . 19 1 1 A 61 61 LYS H H 67 6.376 9.207 -2.831 1 1 657 . 19 1 1 A 61 61 LYS HA H 67 4.021 4.364 -0.343 1 1 666 . 19 1 1 A 61 61 LYS C C 67 176.315 177.393 -1.078 1 1 667 . 19 1 1 A 61 61 LYS CA C 67 54.298 57.815 -3.517 1 1 668 . 19 1 1 A 61 61 LYS CB C 67 32.200 33.107 -0.907 1 1 672 . 19 1 1 A 61 61 LYS N N 67 112.620 123.397 -10.777 1 1 673 . 19 1 1 A 62 62 LEU H H 68 7.335 7.914 -0.579 1 1 674 . 19 1 1 A 62 62 LEU HA H 68 4.275 4.186 0.089 1 1 684 . 19 1 1 A 62 62 LEU C C 68 176.306 178.245 -1.939 1 1 685 . 19 1 1 A 62 62 LEU CA C 68 52.479 55.788 -3.309 1 1 686 . 19 1 1 A 62 62 LEU CB C 68 40.600 40.918 -0.318 1 1 689 . 19 1 1 A 62 62 LEU N N 68 116.704 118.288 -1.584 1 1 690 . 19 1 1 A 63 63 LYS H H 69 8.506 7.836 0.670 1 1 691 . 19 1 1 A 63 63 LYS HA H 69 3.992 3.955 0.037 1 1 700 . 19 1 1 A 63 63 LYS C C 69 175.886 176.531 -0.645 1 1 701 . 19 1 1 A 63 63 LYS CA C 69 54.986 59.669 -4.683 1 1 702 . 19 1 1 A 63 63 LYS CB C 69 32.447 32.417 0.030 1 1 706 . 19 1 1 A 63 63 LYS N N 69 119.841 120.555 -0.714 1 1 707 . 19 1 1 A 64 64 ASN H H 70 8.080 8.112 -0.032 1 1 708 . 19 1 1 A 64 64 ASN HA H 70 3.839 4.293 -0.454 1 1 713 . 19 1 1 A 64 64 ASN C C 70 174.449 174.969 -0.520 1 1 714 . 19 1 1 A 64 64 ASN CA C 70 54.417 54.605 -0.188 1 1 715 . 19 1 1 A 64 64 ASN CB C 70 38.129 36.818 1.311 1 1 716 . 19 1 1 A 64 64 ASN N N 70 121.515 114.637 6.878 1 1 718 . 19 1 1 A 65 65 ASP H H 71 9.218 8.782 0.436 1 1 719 . 19 1 1 A 65 65 ASP HA H 71 3.690 4.696 -1.006 1 1 722 . 19 1 1 A 65 65 ASP C C 71 173.016 175.177 -2.161 1 1 723 . 19 1 1 A 65 65 ASP CA C 71 54.726 54.931 -0.205 1 1 724 . 19 1 1 A 65 65 ASP CB C 71 38.534 38.546 -0.012 1 1 725 . 19 1 1 A 65 65 ASP N N 71 113.370 115.613 -2.243 1 1 726 . 19 1 1 A 66 66 LYS H H 72 6.443 7.263 -0.820 1 1 727 . 19 1 1 A 66 66 LYS HA H 72 4.411 4.968 -0.557 1 1 734 . 19 1 1 A 66 66 LYS C C 72 174.745 174.780 -0.035 1 1 735 . 19 1 1 A 66 66 LYS CA C 72 53.094 54.329 -1.235 1 1 736 . 19 1 1 A 66 66 LYS CB C 72 36.099 35.796 0.303 1 1 739 . 19 1 1 A 66 66 LYS N N 72 113.415 117.350 -3.935 1 1 740 . 19 1 1 A 67 67 VAL H H 73 8.679 8.497 0.182 1 1 741 . 19 1 1 A 67 67 VAL HA H 73 4.189 4.657 -0.468 1 1 749 . 19 1 1 A 67 67 VAL C C 73 176.630 174.869 1.761 1 1 750 . 19 1 1 A 67 67 VAL CA C 73 62.135 60.416 1.719 1 1 751 . 19 1 1 A 67 67 VAL CB C 73 32.001 33.504 -1.503 1 1 753 . 19 1 1 A 67 67 VAL N N 73 122.098 114.746 7.352 1 1 754 . 19 1 1 A 68 68 SER H H 74 9.497 9.074 0.423 1 1 755 . 19 1 1 A 68 68 SER HA H 74 4.507 5.197 -0.690 1 1 758 . 19 1 1 A 68 68 SER C C 74 172.249 173.814 -1.565 1 1 759 . 19 1 1 A 68 68 SER CA C 74 58.323 56.497 1.826 1 1 760 . 19 1 1 A 68 68 SER CB C 74 64.028 64.490 -0.462 1 1 761 . 19 1 1 A 68 68 SER N N 74 127.048 120.950 6.098 1 1 762 . 19 1 1 A 69 69 ARG H H 75 7.848 8.324 -0.476 1 1 763 . 19 1 1 A 69 69 ARG HA H 75 5.031 4.278 0.753 1 1 770 . 19 1 1 A 69 69 ARG C C 75 173.300 176.053 -2.753 1 1 771 . 19 1 1 A 69 69 ARG CA C 75 55.337 56.244 -0.907 1 1 772 . 19 1 1 A 69 69 ARG CB C 75 31.871 30.415 1.456 1 1 775 . 19 1 1 A 69 69 ARG N N 75 122.621 124.560 -1.939 1 1 776 . 19 1 1 A 70 70 PHE H H 76 9.246 8.629 0.617 1 1 777 . 19 1 1 A 70 70 PHE HA H 76 4.808 4.975 -0.167 1 1 784 . 19 1 1 A 70 70 PHE C C 76 175.788 174.656 1.132 1 1 785 . 19 1 1 A 70 70 PHE CA C 76 55.245 56.679 -1.434 1 1 786 . 19 1 1 A 70 70 PHE CB C 76 43.645 43.404 0.241 1 1 787 . 19 1 1 A 70 70 PHE N N 76 118.087 120.488 -2.401 1 1 788 . 19 1 1 A 71 71 ASP H H 77 9.144 8.906 0.238 1 1 789 . 19 1 1 A 71 71 ASP HA H 77 5.360 5.386 -0.026 1 1 792 . 19 1 1 A 71 71 ASP C C 77 176.477 175.418 1.059 1 1 793 . 19 1 1 A 71 71 ASP CA C 77 55.131 53.377 1.754 1 1 794 . 19 1 1 A 71 71 ASP CB C 77 41.301 43.251 -1.950 1 1 795 . 19 1 1 A 71 71 ASP N N 77 123.565 121.971 1.594 1 1 796 . 19 1 1 A 72 72 PHE H H 78 9.094 8.912 0.182 1 1 797 . 19 1 1 A 72 72 PHE HA H 78 6.431 5.273 1.158 1 1 805 . 19 1 1 A 72 72 PHE C C 78 174.014 173.478 0.536 1 1 806 . 19 1 1 A 72 72 PHE CA C 78 54.934 56.646 -1.712 1 1 807 . 19 1 1 A 72 72 PHE CB C 78 42.491 42.379 0.112 1 1 808 . 19 1 1 A 72 72 PHE N N 78 119.663 123.279 -3.616 1 1 809 . 19 1 1 A 73 73 ILE H H 79 8.623 9.041 -0.418 1 1 810 . 19 1 1 A 73 73 ILE HA H 79 4.334 5.132 -0.798 1 1 820 . 19 1 1 A 73 73 ILE C C 79 173.961 174.861 -0.900 1 1 821 . 19 1 1 A 73 73 ILE CA C 79 61.222 59.982 1.240 1 1 822 . 19 1 1 A 73 73 ILE CB C 79 41.918 40.924 0.994 1 1 826 . 19 1 1 A 73 73 ILE N N 79 119.750 126.668 -6.918 1 1 827 . 19 1 1 A 74 74 ARG H H 80 9.052 9.231 -0.179 1 1 828 . 19 1 1 A 74 74 ARG HA H 80 5.311 5.211 0.100 1 1 835 . 19 1 1 A 74 74 ARG C C 80 174.870 174.178 0.692 1 1 836 . 19 1 1 A 74 74 ARG CA C 80 54.449 54.575 -0.126 1 1 837 . 19 1 1 A 74 74 ARG CB C 80 33.740 32.299 1.441 1 1 840 . 19 1 1 A 74 74 ARG N N 80 128.407 125.153 3.254 1 1 841 . 19 1 1 A 75 75 GLN H H 81 9.304 8.948 0.356 1 1 842 . 19 1 1 A 75 75 GLN HA H 81 5.562 5.179 0.383 1 1 849 . 19 1 1 A 75 75 GLN C C 81 173.678 174.016 -0.338 1 1 850 . 19 1 1 A 75 75 GLN CA C 81 53.745 54.035 -0.290 1 1 851 . 19 1 1 A 75 75 GLN CB C 81 34.013 32.490 1.523 1 1 853 . 19 1 1 A 75 75 GLN N N 81 125.481 124.573 0.908 1 1 855 . 19 1 1 A 76 76 ILE H H 82 8.592 8.887 -0.295 1 1 856 . 19 1 1 A 76 76 ILE HA H 82 4.576 4.868 -0.292 1 1 866 . 19 1 1 A 76 76 ILE C C 82 172.511 173.558 -1.047 1 1 867 . 19 1 1 A 76 76 ILE CA C 82 59.622 59.063 0.559 1 1 868 . 19 1 1 A 76 76 ILE CB C 82 42.248 41.868 0.380 1 1 872 . 19 1 1 A 76 76 ILE N N 82 115.536 122.741 -7.205 1 1 873 . 19 1 1 A 77 77 GLU H H 83 8.433 8.468 -0.035 1 1 874 . 19 1 1 A 77 77 GLU HA H 83 4.936 4.706 0.230 1 1 879 . 19 1 1 A 77 77 GLU C C 83 175.614 176.077 -0.463 1 1 880 . 19 1 1 A 77 77 GLU CA C 83 54.812 55.945 -1.133 1 1 881 . 19 1 1 A 77 77 GLU CB C 83 30.465 30.073 0.392 1 1 883 . 19 1 1 A 77 77 GLU N N 83 124.858 124.508 0.350 1 1 884 . 19 1 1 A 78 78 VAL H H 84 8.879 8.785 0.094 1 1 885 . 19 1 1 A 78 78 VAL HA H 84 4.076 4.595 -0.519 1 1 893 . 19 1 1 A 78 78 VAL C C 84 175.694 175.246 0.448 1 1 894 . 19 1 1 A 78 78 VAL CA C 84 61.382 60.494 0.888 1 1 895 . 19 1 1 A 78 78 VAL CB C 84 34.014 34.017 -0.003 1 1 897 . 19 1 1 A 78 78 VAL N N 84 126.973 118.792 8.181 1 1 898 . 19 1 1 A 79 79 ASP H H 85 9.329 9.456 -0.127 1 1 899 . 19 1 1 A 79 79 ASP HA H 85 4.156 4.297 -0.141 1 1 902 . 19 1 1 A 79 79 ASP C C 85 175.774 175.407 0.367 1 1 903 . 19 1 1 A 79 79 ASP CA C 85 55.125 55.095 0.030 1 1 904 . 19 1 1 A 79 79 ASP CB C 85 38.926 39.631 -0.705 1 1 905 . 19 1 1 A 79 79 ASP N N 85 129.387 121.974 7.413 1 1 906 . 19 1 1 A 80 80 GLY H H 86 8.575 8.579 -0.004 1 1 907 . 19 1 1 A 80 80 GLY HA2 H 86 3.992 3.862 0.130 1 1 908 . 19 1 1 A 80 80 GLY HA3 H 86 3.507 3.862 -0.355 1 1 909 . 19 1 1 A 80 80 GLY C C 86 173.366 173.803 -0.437 1 1 910 . 19 1 1 A 80 80 GLY CA C 86 44.759 45.506 -0.747 1 1 911 . 19 1 1 A 80 80 GLY N N 86 103.293 105.013 -1.720 1 1 912 . 19 1 1 A 81 81 GLN H H 87 7.751 8.148 -0.397 1 1 913 . 19 1 1 A 81 81 GLN HA H 87 4.482 4.910 -0.428 1 1 918 . 19 1 1 A 81 81 GLN C C 87 173.874 174.576 -0.702 1 1 919 . 19 1 1 A 81 81 GLN CA C 87 53.328 53.813 -0.485 1 1 920 . 19 1 1 A 81 81 GLN CB C 87 30.670 32.282 -1.612 1 1 922 . 19 1 1 A 81 81 GLN N N 87 119.688 119.052 0.636 1 1 923 . 19 1 1 A 82 82 LEU H H 88 8.418 8.552 -0.134 1 1 924 . 19 1 1 A 82 82 LEU HA H 88 4.630 5.129 -0.499 1 1 934 . 19 1 1 A 82 82 LEU C C 88 176.289 176.038 0.251 1 1 935 . 19 1 1 A 82 82 LEU CA C 88 53.834 53.582 0.252 1 1 936 . 19 1 1 A 82 82 LEU CB C 88 41.737 43.210 -1.473 1 1 940 . 19 1 1 A 82 82 LEU N N 88 123.523 122.580 0.943 1 1 941 . 19 1 1 A 83 83 ILE H H 89 9.146 8.987 0.159 1 1 942 . 19 1 1 A 83 83 ILE HA H 89 4.249 4.981 -0.732 1 1 952 . 19 1 1 A 83 83 ILE C C 89 175.698 174.980 0.718 1 1 953 . 19 1 1 A 83 83 ILE CA C 89 59.363 59.807 -0.444 1 1 954 . 19 1 1 A 83 83 ILE CB C 89 39.633 41.989 -2.356 1 1 958 . 19 1 1 A 83 83 ILE N N 89 127.151 123.443 3.708 1 1 959 . 19 1 1 A 84 84 THR H H 90 8.656 8.902 -0.246 1 1 960 . 19 1 1 A 84 84 THR HA H 90 4.203 4.759 -0.556 1 1 965 . 19 1 1 A 84 84 THR C C 90 172.890 173.818 -0.928 1 1 966 . 19 1 1 A 84 84 THR CA C 90 62.641 60.985 1.656 1 1 967 . 19 1 1 A 84 84 THR CB C 90 68.634 69.746 -1.112 1 1 969 . 19 1 1 A 84 84 THR N N 90 123.099 123.464 -0.365 1 1 970 . 19 1 1 A 85 85 LEU H H 91 8.967 8.544 0.423 1 1 971 . 19 1 1 A 85 85 LEU HA H 91 4.256 4.774 -0.518 1 1 980 . 19 1 1 A 85 85 LEU C C 91 177.371 175.816 1.555 1 1 981 . 19 1 1 A 85 85 LEU CA C 91 55.527 54.251 1.276 1 1 982 . 19 1 1 A 85 85 LEU CB C 91 44.315 43.335 0.980 1 1 984 . 19 1 1 A 85 85 LEU N N 91 125.333 126.173 -0.840 1 1 985 . 19 1 1 A 86 86 GLU H H 92 7.503 7.859 -0.356 1 1 986 . 19 1 1 A 86 86 GLU HA H 92 5.026 4.911 0.115 1 1 991 . 19 1 1 A 86 86 GLU C C 92 172.723 175.890 -3.167 1 1 992 . 19 1 1 A 86 86 GLU CA C 92 54.670 55.308 -0.638 1 1 993 . 19 1 1 A 86 86 GLU CB C 92 33.717 30.764 2.953 1 1 995 . 19 1 1 A 86 86 GLU N N 92 116.655 120.284 -3.629 1 1 996 . 19 1 1 A 87 87 SER H H 93 8.954 8.962 -0.008 1 1 997 . 19 1 1 A 87 87 SER HA H 93 4.245 5.604 -1.359 1 1 1000 . 19 1 1 A 87 87 SER C C 93 172.763 173.555 -0.792 1 1 1001 . 19 1 1 A 87 87 SER CA C 93 57.328 57.387 -0.059 1 1 1002 . 19 1 1 A 87 87 SER CB C 93 65.493 66.281 -0.788 1 1 1003 . 19 1 1 A 87 87 SER N N 93 117.941 120.164 -2.223 1 1 1004 . 19 1 1 A 88 88 GLY H H 94 6.932 8.850 -1.918 1 1 1005 . 19 1 1 A 88 88 GLY HA2 H 94 3.694 4.401 -0.707 1 1 1006 . 19 1 1 A 88 88 GLY HA3 H 94 3.694 4.407 -0.713 1 1 1007 . 19 1 1 A 88 88 GLY C C 94 171.117 172.119 -1.002 1 1 1008 . 19 1 1 A 88 88 GLY CA C 94 46.575 45.685 0.890 1 1 1009 . 19 1 1 A 88 88 GLY N N 94 108.625 109.941 -1.316 1 1 1010 . 19 1 1 A 89 89 GLU H H 95 9.669 8.854 0.815 1 1 1011 . 19 1 1 A 89 89 GLU HA H 95 5.642 4.959 0.683 1 1 1016 . 19 1 1 A 89 89 GLU C C 95 173.226 174.955 -1.729 1 1 1017 . 19 1 1 A 89 89 GLU CA C 95 54.786 55.443 -0.657 1 1 1018 . 19 1 1 A 89 89 GLU CB C 95 34.334 31.837 2.497 1 1 1020 . 19 1 1 A 89 89 GLU N N 95 128.231 120.550 7.681 1 1 1021 . 19 1 1 A 90 90 PHE H H 96 10.365 8.923 1.442 1 1 1022 . 19 1 1 A 90 90 PHE HA H 96 5.048 4.654 0.394 1 1 1029 . 19 1 1 A 90 90 PHE C C 96 173.039 172.993 0.046 1 1 1030 . 19 1 1 A 90 90 PHE CA C 96 54.616 57.924 -3.308 1 1 1031 . 19 1 1 A 90 90 PHE CB C 96 42.090 41.403 0.687 1 1 1032 . 19 1 1 A 90 90 PHE N N 96 131.583 124.772 6.811 1 1 1033 . 19 1 1 A 91 91 GLN H H 97 8.685 8.733 -0.048 1 1 1034 . 19 1 1 A 91 91 GLN HA H 97 4.959 4.806 0.153 1 1 1041 . 19 1 1 A 91 91 GLN C C 97 174.151 174.744 -0.593 1 1 1042 . 19 1 1 A 91 91 GLN CA C 97 53.174 54.922 -1.748 1 1 1043 . 19 1 1 A 91 91 GLN CB C 97 28.812 30.286 -1.474 1 1 1045 . 19 1 1 A 91 91 GLN N N 97 126.465 127.877 -1.412 1 1 1047 . 19 1 1 A 92 92 VAL H H 98 8.675 8.984 -0.309 1 1 1048 . 19 1 1 A 92 92 VAL HA H 98 4.569 4.425 0.144 1 1 1056 . 19 1 1 A 92 92 VAL C C 98 173.802 174.522 -0.720 1 1 1057 . 19 1 1 A 92 92 VAL CA C 98 59.715 61.252 -1.537 1 1 1058 . 19 1 1 A 92 92 VAL CB C 98 35.074 32.625 2.449 1 1 1061 . 19 1 1 A 92 92 VAL N N 98 118.841 127.094 -8.253 1 1 1062 . 19 1 1 A 93 93 TYR H H 99 8.896 9.065 -0.169 1 1 1063 . 19 1 1 A 93 93 TYR HA H 99 4.940 4.663 0.277 1 1 1070 . 19 1 1 A 93 93 TYR C C 99 173.330 174.710 -1.380 1 1 1071 . 19 1 1 A 93 93 TYR CA C 99 56.948 58.184 -1.236 1 1 1072 . 19 1 1 A 93 93 TYR CB C 99 40.780 38.784 1.996 1 1 1073 . 19 1 1 A 93 93 TYR N N 99 127.563 129.172 -1.609 1 1 1074 . 19 1 1 A 94 94 LYS H H 100 5.813 9.152 -3.339 1 1 1075 . 19 1 1 A 94 94 LYS HA H 100 4.248 4.712 -0.464 1 1 1082 . 19 1 1 A 94 94 LYS CA C 100 55.660 55.520 0.140 1 1 1083 . 19 1 1 A 94 94 LYS CB C 100 35.870 33.000 2.870 1 1 1084 . 19 1 1 A 94 94 LYS N N 100 128.378 125.708 2.670 1 1 1085 . 19 1 1 A 95 95 GLN H H 101 8.438 8.341 0.097 1 1 1086 . 19 1 1 A 95 95 GLN HA H 101 5.028 4.494 0.534 1 1 1091 . 19 1 1 A 95 95 GLN C C 101 174.080 177.429 -3.349 1 1 1092 . 19 1 1 A 95 95 GLN CA C 101 54.043 54.539 -0.496 1 1 1093 . 19 1 1 A 95 95 GLN CB C 101 27.209 30.169 -2.960 1 1 1095 . 19 1 1 A 95 95 GLN N N 101 125.809 125.658 0.151 1 1 1096 . 19 1 1 A 96 96 SER H H 102 9.057 9.110 -0.053 1 1 1097 . 19 1 1 A 96 96 SER HA H 102 3.041 4.095 -1.054 1 1 1100 . 19 1 1 A 96 96 SER CA C 102 62.985 61.331 1.654 1 1 1101 . 19 1 1 A 96 96 SER CB C 102 63.242 62.991 0.251 1 1 1102 . 19 1 1 A 96 96 SER N N 102 117.650 118.127 -0.477 1 1 1103 . 19 1 1 A 97 97 HIS H H 103 10.115 8.002 2.113 1 1 1104 . 19 1 1 A 97 97 HIS HA H 103 4.406 4.793 -0.387 1 1 1109 . 19 1 1 A 97 97 HIS CA C 103 53.809 55.689 -1.880 1 1 1110 . 19 1 1 A 97 97 HIS CB C 103 30.329 30.657 -0.328 1 1 1111 . 19 1 1 A 97 97 HIS N N 103 118.385 116.886 1.499 1 1 1112 . 19 1 1 A 98 98 SER H H 104 7.241 7.792 -0.551 1 1 1113 . 19 1 1 A 98 98 SER HA H 104 4.406 4.840 -0.434 1 1 1116 . 19 1 1 A 98 98 SER CA C 104 56.712 57.337 -0.625 1 1 1117 . 19 1 1 A 98 98 SER CB C 104 65.461 65.983 -0.522 1 1 1118 . 19 1 1 A 98 98 SER N N 104 112.298 112.673 -0.375 1 1 1119 . 19 1 1 A 99 99 ALA H H 105 8.418 8.553 -0.135 1 1 1120 . 19 1 1 A 99 99 ALA HA H 105 4.753 5.021 -0.268 1 1 1124 . 19 1 1 A 99 99 ALA C C 105 173.181 176.052 -2.871 1 1 1125 . 19 1 1 A 99 99 ALA CA C 105 51.363 51.632 -0.269 1 1 1126 . 19 1 1 A 99 99 ALA CB C 105 22.271 23.085 -0.814 1 1 1127 . 19 1 1 A 99 99 ALA N N 105 116.790 121.321 -4.531 1 1 1128 . 19 1 1 A 100 100 LEU H H 106 8.376 8.405 -0.029 1 1 1129 . 19 1 1 A 100 100 LEU HA H 106 5.549 5.376 0.173 1 1 1139 . 19 1 1 A 100 100 LEU C C 106 175.338 174.752 0.586 1 1 1140 . 19 1 1 A 100 100 LEU CA C 106 53.753 52.946 0.807 1 1 1141 . 19 1 1 A 100 100 LEU CB C 106 46.393 46.303 0.090 1 1 1145 . 19 1 1 A 100 100 LEU N N 106 115.214 117.783 -2.569 1 1 1146 . 19 1 1 A 101 101 THR H H 107 8.685 8.645 0.040 1 1 1147 . 19 1 1 A 101 101 THR HA H 107 5.287 4.965 0.322 1 1 1152 . 19 1 1 A 101 101 THR C C 107 172.493 173.182 -0.689 1 1 1153 . 19 1 1 A 101 101 THR CA C 107 57.069 59.450 -2.381 1 1 1154 . 19 1 1 A 101 101 THR CB C 107 71.308 71.408 -0.100 1 1 1156 . 19 1 1 A 101 101 THR N N 107 109.441 116.417 -6.976 1 1 1157 . 19 1 1 A 102 102 ALA H H 108 8.459 8.184 0.275 1 1 1158 . 19 1 1 A 102 102 ALA HA H 108 4.366 5.135 -0.769 1 1 1162 . 19 1 1 A 102 102 ALA C C 108 173.439 175.569 -2.130 1 1 1163 . 19 1 1 A 102 102 ALA CA C 108 51.015 50.325 0.690 1 1 1164 . 19 1 1 A 102 102 ALA CB C 108 23.424 23.113 0.311 1 1 1165 . 19 1 1 A 102 102 ALA N N 108 120.716 126.969 -6.253 1 1 1166 . 19 1 1 A 103 103 PHE H H 109 8.510 8.862 -0.352 1 1 1167 . 19 1 1 A 103 103 PHE HA H 109 4.715 4.955 -0.240 1 1 1175 . 19 1 1 A 103 103 PHE C C 109 174.173 174.962 -0.789 1 1 1176 . 19 1 1 A 103 103 PHE CA C 109 56.640 56.499 0.141 1 1 1177 . 19 1 1 A 103 103 PHE CB C 109 41.926 41.104 0.822 1 1 1178 . 19 1 1 A 103 103 PHE N N 109 115.041 120.036 -4.995 1 1 1179 . 19 1 1 A 104 104 GLN H H 110 9.832 8.184 1.648 1 1 1180 . 19 1 1 A 104 104 GLN HA H 110 5.226 4.825 0.401 1 1 1187 . 19 1 1 A 104 104 GLN C C 110 175.186 174.323 0.863 1 1 1188 . 19 1 1 A 104 104 GLN CA C 110 53.213 55.092 -1.879 1 1 1189 . 19 1 1 A 104 104 GLN CB C 110 29.161 28.875 0.286 1 1 1191 . 19 1 1 A 104 104 GLN N N 110 124.526 122.340 2.186 1 1 1193 . 19 1 1 A 105 105 THR H H 111 9.566 8.645 0.921 1 1 1194 . 19 1 1 A 105 105 THR HA H 111 4.186 4.576 -0.390 1 1 1199 . 19 1 1 A 105 105 THR C C 111 174.538 173.813 0.725 1 1 1200 . 19 1 1 A 105 105 THR CA C 111 66.408 62.107 4.301 1 1 1201 . 19 1 1 A 105 105 THR CB C 111 69.385 69.744 -0.359 1 1 1203 . 19 1 1 A 105 105 THR N N 111 126.760 120.170 6.590 1 1 1204 . 19 1 1 A 106 106 GLU H H 112 9.303 8.440 0.863 1 1 1205 . 19 1 1 A 106 106 GLU HA H 112 4.811 4.836 -0.025 1 1 1210 . 19 1 1 A 106 106 GLU C C 112 177.397 175.959 1.438 1 1 1211 . 19 1 1 A 106 106 GLU CA C 112 56.227 56.981 -0.754 1 1 1212 . 19 1 1 A 106 106 GLU CB C 112 31.283 31.264 0.019 1 1 1214 . 19 1 1 A 106 106 GLU N N 112 121.685 123.988 -2.303 1 1 1215 . 19 1 1 A 107 107 GLN H H 113 7.954 7.308 0.646 1 1 1216 . 19 1 1 A 107 107 GLN HA H 113 5.233 4.867 0.366 1 1 1221 . 19 1 1 A 107 107 GLN C C 113 173.999 175.337 -1.338 1 1 1222 . 19 1 1 A 107 107 GLN CA C 113 53.837 55.263 -1.426 1 1 1223 . 19 1 1 A 107 107 GLN CB C 113 32.543 29.975 2.568 1 1 1225 . 19 1 1 A 107 107 GLN N N 113 117.612 120.130 -2.518 1 1 1226 . 19 1 1 A 108 108 ILE H H 114 8.969 8.646 0.323 1 1 1227 . 19 1 1 A 108 108 ILE HA H 114 4.907 4.831 0.076 1 1 1237 . 19 1 1 A 108 108 ILE C C 114 174.089 172.742 1.347 1 1 1238 . 19 1 1 A 108 108 ILE CA C 114 58.954 59.264 -0.310 1 1 1239 . 19 1 1 A 108 108 ILE CB C 114 42.799 41.885 0.914 1 1 1243 . 19 1 1 A 108 108 ILE N N 114 115.049 125.471 -10.422 1 1 1244 . 19 1 1 A 109 109 GLN H H 115 7.421 8.546 -1.125 1 1 1245 . 19 1 1 A 109 109 GLN HA H 115 4.405 4.529 -0.124 1 1 1252 . 19 1 1 A 109 109 GLN C C 115 175.654 175.236 0.418 1 1 1253 . 19 1 1 A 109 109 GLN CA C 115 56.086 56.294 -0.208 1 1 1254 . 19 1 1 A 109 109 GLN CB C 115 28.483 29.343 -0.860 1 1 1256 . 19 1 1 A 109 109 GLN N N 115 121.959 128.304 -6.345 1 1 1258 . 19 1 1 A 110 110 ASP H H 116 8.569 8.554 0.015 1 1 1259 . 19 1 1 A 110 110 ASP HA H 116 4.377 4.753 -0.376 1 1 1262 . 19 1 1 A 110 110 ASP C C 116 176.662 176.241 0.421 1 1 1263 . 19 1 1 A 110 110 ASP CA C 116 53.511 53.596 -0.085 1 1 1264 . 19 1 1 A 110 110 ASP CB C 116 41.187 40.765 0.422 1 1 1265 . 19 1 1 A 110 110 ASP N N 116 125.621 125.325 0.296 1 1 1266 . 19 1 1 A 111 111 SER H H 117 8.445 9.055 -0.610 1 1 1267 . 19 1 1 A 111 111 SER HA H 117 4.024 4.507 -0.483 1 1 1270 . 19 1 1 A 111 111 SER C C 117 174.783 174.759 0.024 1 1 1271 . 19 1 1 A 111 111 SER CA C 117 60.782 57.812 2.970 1 1 1272 . 19 1 1 A 111 111 SER CB C 117 62.560 61.603 0.957 1 1 1273 . 19 1 1 A 111 111 SER N N 117 120.732 121.997 -1.265 1 1 1274 . 19 1 1 A 112 112 GLU H H 118 8.246 8.373 -0.127 1 1 1275 . 19 1 1 A 112 112 GLU HA H 118 4.044 4.610 -0.566 1 1 1280 . 19 1 1 A 112 112 GLU C C 118 175.899 176.750 -0.851 1 1 1281 . 19 1 1 A 112 112 GLU CA C 118 56.016 56.587 -0.571 1 1 1282 . 19 1 1 A 112 112 GLU CB C 118 29.853 32.124 -2.271 1 1 1284 . 19 1 1 A 112 112 GLU N N 118 119.367 121.803 -2.436 1 1 1285 . 19 1 1 A 113 113 HIS H H 119 7.418 7.550 -0.132 1 1 1286 . 19 1 1 A 113 113 HIS HA H 119 4.607 4.701 -0.094 1 1 1291 . 19 1 1 A 113 113 HIS C C 119 173.527 175.135 -1.608 1 1 1292 . 19 1 1 A 113 113 HIS CA C 119 54.515 56.106 -1.591 1 1 1293 . 19 1 1 A 113 113 HIS CB C 119 28.667 30.311 -1.644 1 1 1294 . 19 1 1 A 113 113 HIS N N 119 117.287 119.811 -2.524 1 1 1295 . 19 1 1 A 114 114 SER H H 120 8.398 8.300 0.098 1 1 1296 . 19 1 1 A 114 114 SER HA H 120 4.183 4.337 -0.154 1 1 1299 . 19 1 1 A 114 114 SER C C 120 175.690 174.383 1.307 1 1 1300 . 19 1 1 A 114 114 SER CA C 120 59.149 59.782 -0.633 1 1 1301 . 19 1 1 A 114 114 SER CB C 120 62.820 61.092 1.728 1 1 1302 . 19 1 1 A 114 114 SER N N 120 116.771 113.310 3.461 1 1 1303 . 19 1 1 A 115 115 GLY H H 121 8.733 8.095 0.638 1 1 1304 . 19 1 1 A 115 115 GLY HA2 H 121 4.052 4.109 -0.057 1 1 1305 . 19 1 1 A 115 115 GLY HA3 H 121 3.724 4.137 -0.413 1 1 1306 . 19 1 1 A 115 115 GLY C C 121 173.540 173.652 -0.112 1 1 1307 . 19 1 1 A 115 115 GLY CA C 121 44.692 45.555 -0.863 1 1 1308 . 19 1 1 A 115 115 GLY N N 121 112.197 106.337 5.860 1 1 1309 . 19 1 1 A 116 116 LYS H H 122 7.796 7.688 0.108 1 1 1310 . 19 1 1 A 116 116 LYS HA H 122 4.465 4.876 -0.411 1 1 1317 . 19 1 1 A 116 116 LYS C C 122 175.090 174.935 0.155 1 1 1318 . 19 1 1 A 116 116 LYS CA C 122 55.122 54.486 0.636 1 1 1319 . 19 1 1 A 116 116 LYS CB C 122 33.861 35.804 -1.943 1 1 1322 . 19 1 1 A 116 116 LYS N N 122 120.212 119.543 0.669 1 1 1323 . 19 1 1 A 117 117 MET H H 123 8.348 8.569 -0.221 1 1 1324 . 19 1 1 A 117 117 MET HA H 123 5.082 5.199 -0.117 1 1 1332 . 19 1 1 A 117 117 MET C C 123 176.210 174.539 1.671 1 1 1333 . 19 1 1 A 117 117 MET CA C 123 52.928 53.748 -0.820 1 1 1334 . 19 1 1 A 117 117 MET CB C 123 33.841 35.504 -1.663 1 1 1337 . 19 1 1 A 117 117 MET N N 123 119.755 116.957 2.798 1 1 1338 . 19 1 1 A 118 118 VAL H H 124 9.242 8.657 0.585 1 1 1339 . 19 1 1 A 118 118 VAL HA H 124 4.469 4.978 -0.509 1 1 1347 . 19 1 1 A 118 118 VAL C C 124 173.967 173.776 0.191 1 1 1348 . 19 1 1 A 118 118 VAL CA C 124 59.056 59.032 0.024 1 1 1349 . 19 1 1 A 118 118 VAL CB C 124 34.376 36.260 -1.884 1 1 1351 . 19 1 1 A 118 118 VAL N N 124 118.546 112.999 5.547 1 1 1352 . 19 1 1 A 119 119 ALA H H 125 8.327 8.907 -0.580 1 1 1353 . 19 1 1 A 119 119 ALA HA H 125 4.624 5.141 -0.517 1 1 1357 . 19 1 1 A 119 119 ALA C C 125 177.165 176.154 1.011 1 1 1358 . 19 1 1 A 119 119 ALA CA C 125 52.043 50.590 1.453 1 1 1359 . 19 1 1 A 119 119 ALA CB C 125 18.232 19.985 -1.753 1 1 1360 . 19 1 1 A 119 119 ALA N N 125 125.947 124.555 1.392 1 1 1361 . 19 1 1 A 120 120 LYS H H 126 7.604 8.914 -1.310 1 1 1362 . 19 1 1 A 120 120 LYS HA H 126 4.046 5.083 -1.037 1 1 1371 . 19 1 1 A 120 120 LYS C C 126 172.631 175.377 -2.746 1 1 1372 . 19 1 1 A 120 120 LYS CA C 126 56.023 54.852 1.171 1 1 1373 . 19 1 1 A 120 120 LYS CB C 126 34.482 34.581 -0.099 1 1 1377 . 19 1 1 A 120 120 LYS N N 126 126.149 119.031 7.118 1 1 1378 . 19 1 1 A 121 121 ARG H H 127 8.308 8.746 -0.438 1 1 1379 . 19 1 1 A 121 121 ARG HA H 127 4.901 4.479 0.422 1 1 1384 . 19 1 1 A 121 121 ARG C C 127 176.253 175.175 1.078 1 1 1385 . 19 1 1 A 121 121 ARG CA C 127 55.564 55.537 0.027 1 1 1386 . 19 1 1 A 121 121 ARG CB C 127 28.273 28.645 -0.372 1 1 1388 . 19 1 1 A 121 121 ARG N N 127 122.760 125.850 -3.090 1 1 1389 . 19 1 1 A 122 122 GLN H H 128 7.529 8.887 -1.358 1 1 1390 . 19 1 1 A 122 122 GLN HA H 128 4.541 4.699 -0.158 1 1 1397 . 19 1 1 A 122 122 GLN C C 128 172.163 174.778 -2.615 1 1 1398 . 19 1 1 A 122 122 GLN CA C 128 54.218 54.777 -0.559 1 1 1399 . 19 1 1 A 122 122 GLN CB C 128 32.064 28.255 3.809 1 1 1401 . 19 1 1 A 122 122 GLN N N 128 121.022 122.521 -1.499 1 1 1403 . 19 1 1 A 123 123 PHE H H 129 8.620 8.898 -0.278 1 1 1404 . 19 1 1 A 123 123 PHE HA H 129 6.040 5.321 0.719 1 1 1411 . 19 1 1 A 123 123 PHE C C 129 174.530 174.182 0.348 1 1 1412 . 19 1 1 A 123 123 PHE CA C 129 56.026 57.012 -0.986 1 1 1413 . 19 1 1 A 123 123 PHE CB C 129 42.143 40.968 1.175 1 1 1414 . 19 1 1 A 123 123 PHE N N 129 125.540 126.562 -1.022 1 1 1415 . 19 1 1 A 124 124 ARG H H 130 8.018 7.981 0.037 1 1 1416 . 19 1 1 A 124 124 ARG HA H 130 4.366 4.627 -0.261 1 1 1423 . 19 1 1 A 124 124 ARG C C 130 172.139 174.440 -2.301 1 1 1424 . 19 1 1 A 124 124 ARG CA C 130 53.422 53.480 -0.058 1 1 1425 . 19 1 1 A 124 124 ARG CB C 130 32.310 34.166 -1.856 1 1 1428 . 19 1 1 A 124 124 ARG N N 130 125.264 125.834 -0.570 1 1 1429 . 19 1 1 A 125 125 ILE H H 131 8.462 8.114 0.348 1 1 1430 . 19 1 1 A 125 125 ILE HA H 131 3.883 4.185 -0.302 1 1 1440 . 19 1 1 A 125 125 ILE C C 131 175.487 175.127 0.360 1 1 1441 . 19 1 1 A 125 125 ILE CA C 131 58.339 61.702 -3.363 1 1 1442 . 19 1 1 A 125 125 ILE CB C 131 35.673 39.153 -3.480 1 1 1446 . 19 1 1 A 125 125 ILE N N 131 121.887 123.485 -1.598 1 1 1447 . 19 1 1 A 126 126 GLY H H 132 8.814 7.942 0.872 1 1 1448 . 19 1 1 A 126 126 GLY HA2 H 132 4.062 4.253 -0.191 1 1 1449 . 19 1 1 A 126 126 GLY HA3 H 132 4.062 4.254 -0.192 1 1 1450 . 19 1 1 A 126 126 GLY C C 132 171.583 172.453 -0.870 1 1 1451 . 19 1 1 A 126 126 GLY CA C 132 44.157 44.309 -0.152 1 1 1452 . 19 1 1 A 126 126 GLY N N 132 115.675 114.693 0.982 1 1 1453 . 19 1 1 A 127 127 ASP H H 133 7.914 8.413 -0.499 1 1 1454 . 19 1 1 A 127 127 ASP HA H 133 4.584 4.753 -0.169 1 1 1457 . 19 1 1 A 127 127 ASP C C 133 174.132 175.600 -1.468 1 1 1458 . 19 1 1 A 127 127 ASP CA C 133 54.822 54.451 0.371 1 1 1459 . 19 1 1 A 127 127 ASP CB C 133 45.407 41.841 3.566 1 1 1460 . 19 1 1 A 127 127 ASP N N 133 123.737 120.375 3.362 1 1 1461 . 19 1 1 A 128 128 ILE H H 134 8.258 8.780 -0.522 1 1 1462 . 19 1 1 A 128 128 ILE HA H 134 4.392 4.518 -0.126 1 1 1472 . 19 1 1 A 128 128 ILE C C 134 174.799 175.567 -0.768 1 1 1473 . 19 1 1 A 128 128 ILE CA C 134 61.596 60.690 0.906 1 1 1474 . 19 1 1 A 128 128 ILE CB C 134 37.549 37.645 -0.096 1 1 1478 . 19 1 1 A 128 128 ILE N N 134 119.105 125.750 -6.645 1 1 1479 . 19 1 1 A 129 129 ALA H H 135 8.607 7.892 0.715 1 1 1480 . 19 1 1 A 129 129 ALA HA H 135 4.757 4.261 0.496 1 1 1484 . 19 1 1 A 129 129 ALA C C 135 173.358 178.298 -4.940 1 1 1485 . 19 1 1 A 129 129 ALA CA C 135 50.608 53.492 -2.884 1 1 1486 . 19 1 1 A 129 129 ALA CB C 135 23.348 19.209 4.139 1 1 1487 . 19 1 1 A 129 129 ALA N N 135 129.336 129.652 -0.316 1 1 1488 . 19 1 1 A 130 130 GLY H H 136 7.514 8.966 -1.452 1 1 1489 . 19 1 1 A 130 130 GLY HA2 H 136 3.551 4.251 -0.700 1 1 1490 . 19 1 1 A 130 130 GLY HA3 H 136 4.422 4.404 0.018 1 1 1491 . 19 1 1 A 130 130 GLY C C 136 172.609 174.942 -2.333 1 1 1492 . 19 1 1 A 130 130 GLY CA C 136 44.315 45.899 -1.584 1 1 1493 . 19 1 1 A 130 130 GLY N N 136 101.232 110.205 -8.973 1 1 1494 . 19 1 1 A 131 131 GLU H H 137 8.225 8.348 -0.123 1 1 1495 . 19 1 1 A 131 131 GLU HA H 137 4.540 4.192 0.348 1 1 1500 . 19 1 1 A 131 131 GLU C C 137 174.864 175.813 -0.949 1 1 1501 . 19 1 1 A 131 131 GLU CA C 137 53.120 57.230 -4.110 1 1 1502 . 19 1 1 A 131 131 GLU CB C 137 28.254 30.133 -1.879 1 1 1504 . 19 1 1 A 131 131 GLU N N 137 121.002 120.792 0.210 1 1 1505 . 19 1 1 A 132 132 HIS H H 138 8.054 8.353 -0.299 1 1 1506 . 19 1 1 A 132 132 HIS HA H 138 4.771 5.580 -0.809 1 1 1511 . 19 1 1 A 132 132 HIS C C 138 175.411 174.061 1.350 1 1 1512 . 19 1 1 A 132 132 HIS CA C 138 57.942 53.770 4.172 1 1 1513 . 19 1 1 A 132 132 HIS CB C 138 27.710 31.412 -3.702 1 1 1514 . 19 1 1 A 132 132 HIS N N 138 124.204 121.185 3.019 1 1 1515 . 19 1 1 A 133 133 THR H H 139 9.056 8.794 0.262 1 1 1516 . 19 1 1 A 133 133 THR HA H 139 3.864 4.867 -1.003 1 1 1521 . 19 1 1 A 133 133 THR C C 139 174.178 173.772 0.406 1 1 1522 . 19 1 1 A 133 133 THR CA C 139 63.225 60.190 3.035 1 1 1523 . 19 1 1 A 133 133 THR CB C 139 68.127 68.635 -0.508 1 1 1525 . 19 1 1 A 133 133 THR N N 139 125.345 114.137 11.208 1 1 1526 . 19 1 1 A 134 134 SER H H 140 8.834 8.062 0.772 1 1 1527 . 19 1 1 A 134 134 SER HA H 140 4.560 4.871 -0.311 1 1 1530 . 19 1 1 A 134 134 SER C C 140 176.713 175.140 1.573 1 1 1531 . 19 1 1 A 134 134 SER CA C 140 57.961 57.160 0.801 1 1 1532 . 19 1 1 A 134 134 SER CB C 140 63.030 63.217 -0.187 1 1 1533 . 19 1 1 A 134 134 SER N N 140 121.791 115.561 6.230 1 1 1534 . 19 1 1 A 135 135 PHE H H 141 9.597 7.926 1.671 1 1 1535 . 19 1 1 A 135 135 PHE HA H 141 3.953 4.212 -0.259 1 1 1542 . 19 1 1 A 135 135 PHE C C 141 175.375 177.406 -2.031 1 1 1543 . 19 1 1 A 135 135 PHE CA C 141 61.339 61.421 -0.082 1 1 1544 . 19 1 1 A 135 135 PHE CB C 141 39.394 39.192 0.202 1 1 1545 . 19 1 1 A 135 135 PHE N N 141 128.822 121.181 7.641 1 1 1546 . 19 1 1 A 136 136 ASP H H 142 8.017 8.807 -0.790 1 1 1547 . 19 1 1 A 136 136 ASP HA H 142 4.352 4.402 -0.050 1 1 1550 . 19 1 1 A 136 136 ASP C C 142 175.358 176.374 -1.016 1 1 1551 . 19 1 1 A 136 136 ASP CA C 142 55.223 55.105 0.118 1 1 1552 . 19 1 1 A 136 136 ASP CB C 142 40.968 39.461 1.507 1 1 1553 . 19 1 1 A 136 136 ASP N N 142 113.108 116.978 -3.870 1 1 1554 . 19 1 1 A 137 137 LYS H H 143 7.340 7.627 -0.287 1 1 1555 . 19 1 1 A 137 137 LYS HA H 143 4.439 4.415 0.024 1 1 1564 . 19 1 1 A 137 137 LYS C C 143 175.571 176.251 -0.680 1 1 1565 . 19 1 1 A 137 137 LYS CA C 143 54.096 56.062 -1.966 1 1 1566 . 19 1 1 A 137 137 LYS CB C 143 32.545 33.341 -0.796 1 1 1570 . 19 1 1 A 137 137 LYS N N 143 117.716 117.186 0.530 1 1 1571 . 19 1 1 A 138 138 LEU H H 144 6.698 7.340 -0.642 1 1 1572 . 19 1 1 A 138 138 LEU HA H 144 3.903 4.364 -0.461 1 1 1582 . 19 1 1 A 138 138 LEU C C 144 174.123 176.707 -2.584 1 1 1583 . 19 1 1 A 138 138 LEU CA C 144 52.843 52.928 -0.085 1 1 1584 . 19 1 1 A 138 138 LEU CB C 144 40.993 40.963 0.030 1 1 1588 . 19 1 1 A 138 138 LEU N N 144 120.536 121.662 -1.126 1 1 1589 . 19 1 1 A 139 139 PRO HA H 145 4.040 4.407 -0.367 1 1 1596 . 19 1 1 A 139 139 PRO C C 145 172.700 177.634 -4.934 1 1 1597 . 19 1 1 A 139 139 PRO CA C 145 62.654 63.928 -1.274 1 1 1598 . 19 1 1 A 139 139 PRO CB C 145 30.086 31.957 -1.871 1 1 1601 . 19 1 1 A 140 140 GLU H H 146 8.343 8.053 0.290 1 1 1602 . 19 1 1 A 140 140 GLU HA H 146 3.970 4.133 -0.163 1 1 1607 . 19 1 1 A 140 140 GLU C C 146 176.009 177.345 -1.336 1 1 1608 . 19 1 1 A 140 140 GLU CA C 146 56.119 57.668 -1.549 1 1 1609 . 19 1 1 A 140 140 GLU CB C 146 30.086 28.957 1.129 1 1 1611 . 19 1 1 A 140 140 GLU N N 146 119.063 118.667 0.396 1 1 1612 . 19 1 1 A 141 141 GLY H H 147 7.241 8.314 -1.073 1 1 1613 . 19 1 1 A 141 141 GLY HA2 H 147 3.918 4.113 -0.195 1 1 1614 . 19 1 1 A 141 141 GLY HA3 H 147 3.814 4.113 -0.299 1 1 1615 . 19 1 1 A 141 141 GLY C C 147 171.657 173.674 -2.017 1 1 1616 . 19 1 1 A 141 141 GLY CA C 147 43.929 45.509 -1.580 1 1 1617 . 19 1 1 A 141 141 GLY N N 147 104.270 106.219 -1.949 1 1 1618 . 19 1 1 A 142 142 GLY H H 148 8.241 7.729 0.512 1 1 1619 . 19 1 1 A 142 142 GLY HA2 H 148 3.710 3.981 -0.271 1 1 1620 . 19 1 1 A 142 142 GLY HA3 H 148 4.350 3.988 0.362 1 1 1621 . 19 1 1 A 142 142 GLY C C 148 171.767 172.054 -0.287 1 1 1622 . 19 1 1 A 142 142 GLY CA C 148 43.649 45.590 -1.941 1 1 1623 . 19 1 1 A 142 142 GLY N N 148 106.996 107.986 -0.990 1 1 1624 . 19 1 1 A 143 143 ARG H H 149 8.214 8.460 -0.246 1 1 1625 . 19 1 1 A 143 143 ARG HA H 149 5.376 4.744 0.632 1 1 1632 . 19 1 1 A 143 143 ARG C C 149 174.981 174.936 0.045 1 1 1633 . 19 1 1 A 143 143 ARG CA C 149 54.235 55.167 -0.932 1 1 1634 . 19 1 1 A 143 143 ARG CB C 149 32.988 31.895 1.093 1 1 1637 . 19 1 1 A 143 143 ARG N N 149 117.762 116.657 1.105 1 1 1638 . 19 1 1 A 144 144 ALA H H 150 9.030 8.097 0.933 1 1 1639 . 19 1 1 A 144 144 ALA HA H 150 4.730 4.729 0.001 1 1 1643 . 19 1 1 A 144 144 ALA C C 150 175.012 175.583 -0.571 1 1 1644 . 19 1 1 A 144 144 ALA CA C 150 50.732 50.286 0.446 1 1 1645 . 19 1 1 A 144 144 ALA CB C 150 23.448 20.439 3.009 1 1 1646 . 19 1 1 A 144 144 ALA N N 150 126.630 122.983 3.647 1 1 1647 . 19 1 1 A 145 145 THR H H 151 8.560 8.428 0.132 1 1 1648 . 19 1 1 A 145 145 THR HA H 151 4.846 4.555 0.291 1 1 1653 . 19 1 1 A 145 145 THR C C 151 171.870 172.929 -1.059 1 1 1654 . 19 1 1 A 145 145 THR CA C 151 61.997 62.139 -0.142 1 1 1655 . 19 1 1 A 145 145 THR CB C 151 69.746 70.179 -0.433 1 1 1657 . 19 1 1 A 145 145 THR N N 151 117.942 118.060 -0.118 1 1 1658 . 19 1 1 A 146 146 TYR H H 152 10.008 8.852 1.156 1 1 1659 . 19 1 1 A 146 146 TYR HA H 152 4.580 5.108 -0.528 1 1 1666 . 19 1 1 A 146 146 TYR C C 152 174.627 174.492 0.135 1 1 1667 . 19 1 1 A 146 146 TYR CA C 152 55.835 56.379 -0.544 1 1 1668 . 19 1 1 A 146 146 TYR CB C 152 40.094 43.177 -3.083 1 1 1669 . 19 1 1 A 146 146 TYR N N 152 126.097 123.193 2.904 1 1 1670 . 19 1 1 A 147 147 ARG H H 153 8.860 9.004 -0.144 1 1 1671 . 19 1 1 A 147 147 ARG HA H 153 5.404 5.123 0.281 1 1 1678 . 19 1 1 A 147 147 ARG C C 153 177.446 175.254 2.192 1 1 1679 . 19 1 1 A 147 147 ARG CA C 153 54.024 54.540 -0.516 1 1 1680 . 19 1 1 A 147 147 ARG CB C 153 33.539 33.501 0.038 1 1 1683 . 19 1 1 A 147 147 ARG N N 153 121.042 123.468 -2.426 1 1 1684 . 19 1 1 A 148 148 GLY H H 154 8.916 9.181 -0.265 1 1 1685 . 19 1 1 A 148 148 GLY HA2 H 154 4.816 4.265 0.551 1 1 1686 . 19 1 1 A 148 148 GLY HA3 H 154 4.422 4.296 0.126 1 1 1687 . 19 1 1 A 148 148 GLY C C 154 173.831 172.016 1.815 1 1 1688 . 19 1 1 A 148 148 GLY CA C 154 46.752 44.422 2.330 1 1 1689 . 19 1 1 A 148 148 GLY N N 154 114.154 112.608 1.546 1 1 1690 . 19 1 1 A 149 149 THR H H 155 9.063 9.530 -0.467 1 1 1691 . 19 1 1 A 149 149 THR HA H 155 4.711 4.994 -0.283 1 1 1696 . 19 1 1 A 149 149 THR C C 155 170.370 173.777 -3.407 1 1 1697 . 19 1 1 A 149 149 THR CA C 155 62.316 62.667 -0.351 1 1 1698 . 19 1 1 A 149 149 THR CB C 155 72.596 70.492 2.104 1 1 1700 . 19 1 1 A 149 149 THR N N 155 126.410 120.560 5.850 1 1 1701 . 19 1 1 A 150 150 ALA H H 156 7.091 9.116 -2.025 1 1 1702 . 19 1 1 A 150 150 ALA HA H 156 5.289 5.667 -0.378 1 1 1706 . 19 1 1 A 150 150 ALA C C 156 173.965 176.545 -2.580 1 1 1707 . 19 1 1 A 150 150 ALA CA C 156 48.843 50.088 -1.245 1 1 1708 . 19 1 1 A 150 150 ALA CB C 156 22.573 21.901 0.672 1 1 1709 . 19 1 1 A 150 150 ALA N N 156 127.540 129.168 -1.628 1 1 1710 . 19 1 1 A 151 151 PHE H H 157 8.536 8.249 0.287 1 1 1711 . 19 1 1 A 151 151 PHE HA H 157 5.442 5.679 -0.237 1 1 1718 . 19 1 1 A 151 151 PHE C C 157 171.891 173.619 -1.728 1 1 1719 . 19 1 1 A 151 151 PHE CA C 157 53.282 55.303 -2.021 1 1 1720 . 19 1 1 A 151 151 PHE CB C 157 41.020 42.005 -0.985 1 1 1721 . 19 1 1 A 151 151 PHE N N 157 117.013 118.223 -1.210 1 1 1722 . 19 1 1 A 152 152 GLY H H 158 8.548 8.751 -0.203 1 1 1723 . 19 1 1 A 152 152 GLY HA2 H 158 4.003 3.659 0.344 1 1 1724 . 19 1 1 A 152 152 GLY HA3 H 158 3.124 4.173 -1.049 1 1 1725 . 19 1 1 A 152 152 GLY C C 158 173.148 174.341 -1.193 1 1 1726 . 19 1 1 A 152 152 GLY CA C 158 42.630 44.664 -2.034 1 1 1727 . 19 1 1 A 152 152 GLY N N 158 108.356 108.539 -0.183 1 1 1728 . 19 1 1 A 153 153 SER H H 159 7.610 8.133 -0.523 1 1 1729 . 19 1 1 A 153 153 SER HA H 159 3.421 4.255 -0.834 1 1 1732 . 19 1 1 A 153 153 SER C C 159 176.057 175.607 0.450 1 1 1733 . 19 1 1 A 153 153 SER CA C 159 58.787 58.587 0.200 1 1 1734 . 19 1 1 A 153 153 SER CB C 159 61.886 62.693 -0.807 1 1 1735 . 19 1 1 A 153 153 SER N N 159 115.173 115.541 -0.368 1 1 1736 . 19 1 1 A 154 154 ASP H H 160 9.894 8.031 1.863 1 1 1737 . 19 1 1 A 154 154 ASP HA H 160 4.168 4.427 -0.259 1 1 1740 . 19 1 1 A 154 154 ASP C C 160 175.191 176.244 -1.053 1 1 1741 . 19 1 1 A 154 154 ASP CA C 160 55.398 56.757 -1.359 1 1 1742 . 19 1 1 A 154 154 ASP CB C 160 39.212 40.395 -1.183 1 1 1743 . 19 1 1 A 154 154 ASP N N 160 124.828 120.057 4.771 1 1 1744 . 19 1 1 A 155 155 ASP H H 161 7.520 7.992 -0.472 1 1 1745 . 19 1 1 A 155 155 ASP HA H 161 4.568 4.809 -0.241 1 1 1748 . 19 1 1 A 155 155 ASP C C 161 172.658 175.826 -3.168 1 1 1749 . 19 1 1 A 155 155 ASP CA C 161 54.342 53.296 1.046 1 1 1750 . 19 1 1 A 155 155 ASP CB C 161 40.619 42.255 -1.636 1 1 1751 . 19 1 1 A 155 155 ASP N N 161 116.749 118.415 -1.666 1 1 1752 . 19 1 1 A 156 156 ALA H H 162 8.544 8.034 0.510 1 1 1753 . 19 1 1 A 156 156 ALA HA H 162 4.916 3.998 0.918 1 1 1757 . 19 1 1 A 156 156 ALA C C 162 177.708 177.498 0.210 1 1 1758 . 19 1 1 A 156 156 ALA CA C 162 49.878 53.389 -3.511 1 1 1759 . 19 1 1 A 156 156 ALA CB C 162 17.473 17.076 0.397 1 1 1760 . 19 1 1 A 156 156 ALA N N 162 128.246 119.981 8.265 1 1 1761 . 19 1 1 A 157 157 GLY H H 163 8.406 7.980 0.426 1 1 1762 . 19 1 1 A 157 157 GLY HA2 H 163 4.286 3.783 0.503 1 1 1763 . 19 1 1 A 157 157 GLY HA3 H 163 3.894 3.857 0.037 1 1 1764 . 19 1 1 A 157 157 GLY C C 163 174.344 174.486 -0.142 1 1 1765 . 19 1 1 A 157 157 GLY CA C 163 45.049 46.155 -1.106 1 1 1766 . 19 1 1 A 157 157 GLY N N 163 106.545 105.090 1.455 1 1 1767 . 19 1 1 A 158 158 GLY H H 164 7.128 7.210 -0.082 1 1 1768 . 19 1 1 A 158 158 GLY HA2 H 164 4.118 4.074 0.044 1 1 1769 . 19 1 1 A 158 158 GLY HA3 H 164 3.641 4.077 -0.436 1 1 1770 . 19 1 1 A 158 158 GLY C C 164 173.903 173.743 0.160 1 1 1771 . 19 1 1 A 158 158 GLY CA C 164 45.225 45.571 -0.346 1 1 1772 . 19 1 1 A 158 158 GLY N N 164 106.404 106.745 -0.341 1 1 1773 . 19 1 1 A 159 159 LYS H H 165 9.647 7.539 2.108 1 1 1774 . 19 1 1 A 159 159 LYS HA H 165 5.052 4.336 0.716 1 1 1781 . 19 1 1 A 159 159 LYS C C 165 174.390 176.192 -1.802 1 1 1782 . 19 1 1 A 159 159 LYS CA C 165 53.501 56.464 -2.963 1 1 1783 . 19 1 1 A 159 159 LYS CB C 165 34.622 33.901 0.721 1 1 1786 . 19 1 1 A 159 159 LYS N N 165 123.930 120.014 3.916 1 1 1787 . 19 1 1 A 160 160 LEU H H 166 7.706 8.700 -0.994 1 1 1788 . 19 1 1 A 160 160 LEU HA H 166 4.873 5.143 -0.270 1 1 1798 . 19 1 1 A 160 160 LEU C C 166 174.825 174.942 -0.117 1 1 1799 . 19 1 1 A 160 160 LEU CA C 166 52.677 53.382 -0.705 1 1 1800 . 19 1 1 A 160 160 LEU CB C 166 44.629 45.893 -1.264 1 1 1804 . 19 1 1 A 160 160 LEU N N 166 126.271 118.427 7.844 1 1 1805 . 19 1 1 A 161 161 THR H H 167 8.374 8.858 -0.484 1 1 1806 . 19 1 1 A 161 161 THR HA H 167 4.949 5.100 -0.151 1 1 1811 . 19 1 1 A 161 161 THR C C 167 172.102 173.165 -1.063 1 1 1812 . 19 1 1 A 161 161 THR CA C 167 61.761 62.210 -0.449 1 1 1813 . 19 1 1 A 161 161 THR CB C 167 70.169 70.719 -0.550 1 1 1815 . 19 1 1 A 161 161 THR N N 167 122.977 116.101 6.876 1 1 1816 . 19 1 1 A 162 162 TYR H H 168 9.174 8.816 0.358 1 1 1817 . 19 1 1 A 162 162 TYR HA H 168 4.766 5.518 -0.752 1 1 1824 . 19 1 1 A 162 162 TYR C C 168 172.249 173.922 -1.673 1 1 1825 . 19 1 1 A 162 162 TYR CA C 168 58.162 56.642 1.520 1 1 1826 . 19 1 1 A 162 162 TYR CB C 168 43.746 42.648 1.098 1 1 1827 . 19 1 1 A 162 162 TYR N N 168 128.112 126.848 1.264 1 1 1828 . 19 1 1 A 163 163 THR H H 169 8.711 8.320 0.391 1 1 1829 . 19 1 1 A 163 163 THR HA H 169 5.402 5.095 0.307 1 1 1834 . 19 1 1 A 163 163 THR C C 169 172.520 172.067 0.453 1 1 1835 . 19 1 1 A 163 163 THR CA C 169 60.804 59.879 0.925 1 1 1836 . 19 1 1 A 163 163 THR CB C 169 70.818 71.518 -0.700 1 1 1838 . 19 1 1 A 163 163 THR N N 169 124.549 120.303 4.246 1 1 1839 . 19 1 1 A 164 164 ILE H H 170 8.927 8.839 0.088 1 1 1840 . 19 1 1 A 164 164 ILE HA H 170 4.313 4.959 -0.646 1 1 1850 . 19 1 1 A 164 164 ILE C C 170 173.105 172.904 0.201 1 1 1851 . 19 1 1 A 164 164 ILE CA C 170 60.595 59.703 0.892 1 1 1852 . 19 1 1 A 164 164 ILE CB C 170 41.274 41.560 -0.286 1 1 1856 . 19 1 1 A 164 164 ILE N N 170 123.685 126.018 -2.333 1 1 1857 . 19 1 1 A 165 165 ASP H H 171 8.372 8.404 -0.032 1 1 1858 . 19 1 1 A 165 165 ASP HA H 171 4.750 4.774 -0.024 1 1 1861 . 19 1 1 A 165 165 ASP C C 171 177.213 176.945 0.268 1 1 1862 . 19 1 1 A 165 165 ASP CA C 171 51.669 53.256 -1.587 1 1 1863 . 19 1 1 A 165 165 ASP CB C 171 41.730 40.909 0.821 1 1 1864 . 19 1 1 A 165 165 ASP N N 171 125.168 128.881 -3.713 1 1 1865 . 19 1 1 A 166 166 PHE H H 172 8.968 8.388 0.580 1 1 1866 . 19 1 1 A 166 166 PHE HA H 172 3.879 4.330 -0.451 1 1 1874 . 19 1 1 A 166 166 PHE C C 172 176.940 176.830 0.110 1 1 1875 . 19 1 1 A 166 166 PHE CA C 172 61.543 60.766 0.777 1 1 1876 . 19 1 1 A 166 166 PHE CB C 172 37.424 38.220 -0.796 1 1 1877 . 19 1 1 A 166 166 PHE N N 172 123.597 124.561 -0.964 1 1 1878 . 19 1 1 A 167 167 ALA H H 173 8.266 7.875 0.391 1 1 1879 . 19 1 1 A 167 167 ALA HA H 173 4.322 4.436 -0.114 1 1 1883 . 19 1 1 A 167 167 ALA C C 173 178.888 177.988 0.900 1 1 1884 . 19 1 1 A 167 167 ALA CA C 173 54.458 53.498 0.960 1 1 1885 . 19 1 1 A 167 167 ALA CB C 173 17.591 19.292 -1.701 1 1 1886 . 19 1 1 A 167 167 ALA N N 173 122.113 121.467 0.646 1 1 1887 . 19 1 1 A 168 168 ALA H H 174 7.405 7.944 -0.539 1 1 1888 . 19 1 1 A 168 168 ALA HA H 174 4.096 4.393 -0.297 1 1 1892 . 19 1 1 A 168 168 ALA C C 174 176.605 176.573 0.032 1 1 1893 . 19 1 1 A 168 168 ALA CA C 174 51.225 51.351 -0.126 1 1 1894 . 19 1 1 A 168 168 ALA CB C 174 18.307 18.773 -0.466 1 1 1895 . 19 1 1 A 168 168 ALA N N 174 118.760 119.805 -1.045 1 1 1896 . 19 1 1 A 169 169 LYS H H 175 7.906 7.807 0.099 1 1 1897 . 19 1 1 A 169 169 LYS HA H 175 3.391 3.991 -0.600 1 1 1904 . 19 1 1 A 169 169 LYS C C 175 174.608 174.768 -0.160 1 1 1905 . 19 1 1 A 169 169 LYS CA C 175 57.049 57.811 -0.762 1 1 1906 . 19 1 1 A 169 169 LYS CB C 175 30.051 29.467 0.584 1 1 1909 . 19 1 1 A 169 169 LYS N N 175 114.394 114.211 0.183 1 1 1910 . 19 1 1 A 170 170 GLN H H 176 7.629 7.598 0.031 1 1 1911 . 19 1 1 A 170 170 GLN HA H 176 5.414 5.104 0.310 1 1 1918 . 19 1 1 A 170 170 GLN C C 176 174.325 174.714 -0.389 1 1 1919 . 19 1 1 A 170 170 GLN CA C 176 54.393 54.374 0.019 1 1 1920 . 19 1 1 A 170 170 GLN CB C 176 34.771 31.186 3.585 1 1 1922 . 19 1 1 A 170 170 GLN N N 176 116.433 117.697 -1.264 1 1 1924 . 19 1 1 A 171 171 GLY H H 177 8.854 9.241 -0.387 1 1 1925 . 19 1 1 A 171 171 GLY HA2 H 177 5.205 4.249 0.956 1 1 1926 . 19 1 1 A 171 171 GLY HA3 H 177 3.526 4.448 -0.922 1 1 1927 . 19 1 1 A 171 171 GLY C C 177 170.842 171.948 -1.106 1 1 1928 . 19 1 1 A 171 171 GLY CA C 177 44.621 44.944 -0.323 1 1 1929 . 19 1 1 A 171 171 GLY N N 177 110.189 112.653 -2.464 1 1 1930 . 19 1 1 A 172 172 ASN H H 178 7.637 8.792 -1.155 1 1 1931 . 19 1 1 A 172 172 ASN HA H 178 4.224 5.493 -1.269 1 1 1936 . 19 1 1 A 172 172 ASN C C 178 171.546 173.737 -2.191 1 1 1937 . 19 1 1 A 172 172 ASN CA C 178 53.729 50.687 3.042 1 1 1938 . 19 1 1 A 172 172 ASN CB C 178 41.543 41.778 -0.235 1 1 1939 . 19 1 1 A 172 172 ASN N N 178 112.667 122.297 -9.630 1 1 1941 . 19 1 1 A 173 173 GLY H H 179 9.103 8.308 0.795 1 1 1942 . 19 1 1 A 173 173 GLY HA2 H 179 4.491 4.172 0.319 1 1 1943 . 19 1 1 A 173 173 GLY HA3 H 179 4.084 4.209 -0.125 1 1 1944 . 19 1 1 A 173 173 GLY C C 179 172.400 171.948 0.452 1 1 1945 . 19 1 1 A 173 173 GLY CA C 179 47.199 45.717 1.482 1 1 1946 . 19 1 1 A 173 173 GLY N N 179 106.686 108.839 -2.153 1 1 1947 . 19 1 1 A 174 174 LYS H H 180 9.179 8.355 0.824 1 1 1948 . 19 1 1 A 174 174 LYS HA H 180 4.821 5.059 -0.238 1 1 1957 . 19 1 1 A 174 174 LYS C C 180 172.518 174.741 -2.223 1 1 1958 . 19 1 1 A 174 174 LYS CA C 180 56.617 55.055 1.562 1 1 1959 . 19 1 1 A 174 174 LYS CB C 180 35.373 35.889 -0.516 1 1 1963 . 19 1 1 A 174 174 LYS N N 180 121.816 116.249 5.567 1 1 1964 . 19 1 1 A 175 175 ILE H H 181 8.351 8.451 -0.100 1 1 1965 . 19 1 1 A 175 175 ILE HA H 181 4.581 4.555 0.026 1 1 1973 . 19 1 1 A 175 175 ILE C C 181 173.997 175.667 -1.670 1 1 1974 . 19 1 1 A 175 175 ILE CA C 181 60.490 59.991 0.499 1 1 1975 . 19 1 1 A 175 175 ILE CB C 181 39.573 38.239 1.334 1 1 1978 . 19 1 1 A 175 175 ILE N N 181 123.400 123.508 -0.108 1 1 1979 . 19 1 1 A 176 176 GLU H H 182 8.492 8.696 -0.204 1 1 1980 . 19 1 1 A 176 176 GLU HA H 182 4.471 4.777 -0.306 1 1 1985 . 19 1 1 A 176 176 GLU C C 182 175.392 175.535 -0.143 1 1 1986 . 19 1 1 A 176 176 GLU CA C 182 53.410 56.270 -2.860 1 1 1987 . 19 1 1 A 176 176 GLU CB C 182 35.479 32.068 3.411 1 1 1989 . 19 1 1 A 176 176 GLU N N 182 122.287 124.968 -2.681 1 1 1990 . 19 1 1 A 177 177 HIS H H 183 8.431 8.231 0.200 1 1 1991 . 19 1 1 A 177 177 HIS HA H 183 3.975 4.703 -0.728 1 1 1996 . 19 1 1 A 177 177 HIS C C 183 176.008 174.748 1.260 1 1 1997 . 19 1 1 A 177 177 HIS CA C 183 57.533 55.793 1.740 1 1 1998 . 19 1 1 A 177 177 HIS CB C 183 27.362 33.036 -5.674 1 1 1999 . 19 1 1 A 177 177 HIS N N 183 109.605 126.328 -16.723 1 1 2000 . 19 1 1 A 178 178 LEU H H 184 9.603 7.947 1.656 1 1 2001 . 19 1 1 A 178 178 LEU HA H 184 4.276 4.295 -0.019 1 1 2011 . 19 1 1 A 178 178 LEU C C 184 178.805 178.077 0.728 1 1 2012 . 19 1 1 A 178 178 LEU CA C 184 56.034 54.333 1.701 1 1 2013 . 19 1 1 A 178 178 LEU CB C 184 39.882 41.975 -2.093 1 1 2017 . 19 1 1 A 178 178 LEU N N 184 124.374 121.703 2.671 1 1 2018 . 19 1 1 A 179 179 LYS H H 185 10.002 8.796 1.206 1 1 2019 . 19 1 1 A 179 179 LYS HA H 185 3.682 4.062 -0.380 1 1 2028 . 19 1 1 A 179 179 LYS C C 185 177.660 176.448 1.212 1 1 2029 . 19 1 1 A 179 179 LYS CA C 185 57.721 58.859 -1.138 1 1 2030 . 19 1 1 A 179 179 LYS CB C 185 31.949 32.112 -0.163 1 1 2034 . 19 1 1 A 179 179 LYS N N 185 122.880 121.386 1.494 1 1 2035 . 19 1 1 A 180 180 SER H H 186 7.262 7.963 -0.701 1 1 2036 . 19 1 1 A 180 180 SER HA H 186 4.672 4.936 -0.264 1 1 2039 . 19 1 1 A 180 180 SER C C 186 173.086 173.789 -0.703 1 1 2040 . 19 1 1 A 180 180 SER CA C 186 54.576 55.443 -0.867 1 1 2041 . 19 1 1 A 180 180 SER CB C 186 62.715 65.105 -2.390 1 1 2042 . 19 1 1 A 180 180 SER N N 186 115.187 115.403 -0.216 1 1 2043 . 19 1 1 A 181 181 PRO HA H 187 3.956 4.333 -0.377 1 1 2050 . 19 1 1 A 181 181 PRO CA C 187 65.359 65.680 -0.321 1 1 2051 . 19 1 1 A 181 181 PRO CB C 187 32.061 31.788 0.273 1 1 2054 . 19 1 1 A 182 182 GLU H H 188 8.076 8.239 -0.163 1 1 2055 . 19 1 1 A 182 182 GLU HA H 188 3.011 4.212 -1.201 1 1 2060 . 19 1 1 A 182 182 GLU C C 188 173.944 178.117 -4.173 1 1 2061 . 19 1 1 A 182 182 GLU CA C 188 56.597 58.273 -1.676 1 1 2062 . 19 1 1 A 182 182 GLU CB C 188 29.581 29.424 0.157 1 1 2064 . 19 1 1 A 182 182 GLU N N 188 113.034 117.726 -4.692 1 1 2065 . 19 1 1 A 183 183 LEU H H 189 7.126 7.288 -0.162 1 1 2066 . 19 1 1 A 183 183 LEU HA H 189 3.970 4.235 -0.265 1 1 2076 . 19 1 1 A 183 183 LEU C C 189 175.597 177.317 -1.720 1 1 2077 . 19 1 1 A 183 183 LEU CA C 189 53.849 56.504 -2.655 1 1 2078 . 19 1 1 A 183 183 LEU CB C 189 41.152 42.488 -1.336 1 1 2082 . 19 1 1 A 183 183 LEU N N 189 112.896 119.878 -6.982 1 1 2083 . 19 1 1 A 184 184 ASN H H 190 6.952 7.424 -0.472 1 1 2084 . 19 1 1 A 184 184 ASN HA H 190 4.596 4.594 0.002 1 1 2089 . 19 1 1 A 184 184 ASN C C 190 175.694 175.194 0.500 1 1 2090 . 19 1 1 A 184 184 ASN CA C 190 53.200 53.310 -0.110 1 1 2091 . 19 1 1 A 184 184 ASN CB C 190 36.466 39.223 -2.757 1 1 2092 . 19 1 1 A 184 184 ASN N N 190 117.865 117.761 0.104 1 1 2094 . 19 1 1 A 185 185 VAL H H 191 7.178 8.506 -1.328 1 1 2095 . 19 1 1 A 185 185 VAL HA H 191 4.480 4.642 -0.162 1 1 2103 . 19 1 1 A 185 185 VAL C C 191 174.874 175.742 -0.868 1 1 2104 . 19 1 1 A 185 185 VAL CA C 191 59.753 60.494 -0.741 1 1 2105 . 19 1 1 A 185 185 VAL CB C 191 33.035 33.528 -0.493 1 1 2108 . 19 1 1 A 185 185 VAL N N 191 113.276 120.038 -6.762 1 1 2109 . 19 1 1 A 186 186 ASP H H 192 8.827 8.595 0.232 1 1 2110 . 19 1 1 A 186 186 ASP HA H 192 4.779 4.755 0.024 1 1 2113 . 19 1 1 A 186 186 ASP C C 192 174.919 175.239 -0.320 1 1 2114 . 19 1 1 A 186 186 ASP CA C 192 54.058 54.855 -0.797 1 1 2115 . 19 1 1 A 186 186 ASP CB C 192 41.635 41.404 0.231 1 1 2116 . 19 1 1 A 186 186 ASP N N 192 118.111 122.048 -3.937 1 1 2117 . 19 1 1 A 187 187 LEU H H 193 8.375 8.715 -0.340 1 1 2118 . 19 1 1 A 187 187 LEU HA H 193 4.146 5.129 -0.983 1 1 2127 . 19 1 1 A 187 187 LEU CA C 193 52.331 53.559 -1.228 1 1 2128 . 19 1 1 A 187 187 LEU CB C 193 38.187 45.795 -7.608 1 1 2131 . 19 1 1 A 187 187 LEU N N 193 123.130 125.129 -1.999 1 1 2132 . 19 1 1 A 188 188 ALA H H 194 8.225 8.723 -0.498 1 1 2133 . 19 1 1 A 188 188 ALA HA H 194 4.098 4.562 -0.464 1 1 2137 . 19 1 1 A 188 188 ALA C C 194 176.239 176.889 -0.650 1 1 2138 . 19 1 1 A 188 188 ALA CA C 194 52.498 51.803 0.695 1 1 2139 . 19 1 1 A 188 188 ALA CB C 194 20.030 19.027 1.003 1 1 2140 . 19 1 1 A 188 188 ALA N N 194 126.289 128.699 -2.410 1 1 2141 . 19 1 1 A 189 189 ALA H H 195 8.275 7.912 0.363 1 1 2142 . 19 1 1 A 189 189 ALA HA H 195 4.862 4.289 0.573 1 1 2146 . 19 1 1 A 189 189 ALA C C 195 178.131 177.930 0.201 1 1 2147 . 19 1 1 A 189 189 ALA CA C 195 51.822 53.306 -1.484 1 1 2148 . 19 1 1 A 189 189 ALA CB C 195 17.367 18.938 -1.571 1 1 2149 . 19 1 1 A 189 189 ALA N N 195 122.010 125.921 -3.911 1 1 2150 . 19 1 1 A 190 190 ALA H H 196 8.823 8.759 0.064 1 1 2151 . 19 1 1 A 190 190 ALA HA H 196 4.634 5.209 -0.575 1 1 2155 . 19 1 1 A 190 190 ALA C C 196 175.141 176.551 -1.410 1 1 2156 . 19 1 1 A 190 190 ALA CA C 196 50.420 50.005 0.415 1 1 2157 . 19 1 1 A 190 190 ALA CB C 196 23.461 22.934 0.527 1 1 2158 . 19 1 1 A 190 190 ALA N N 196 126.018 125.776 0.242 1 1 2159 . 19 1 1 A 191 191 ASP H H 197 8.365 8.890 -0.525 1 1 2160 . 19 1 1 A 191 191 ASP HA H 197 5.160 5.395 -0.235 1 1 2163 . 19 1 1 A 191 191 ASP C C 197 176.028 176.089 -0.061 1 1 2164 . 19 1 1 A 191 191 ASP CA C 197 54.034 51.944 2.090 1 1 2165 . 19 1 1 A 191 191 ASP CB C 197 41.691 43.347 -1.656 1 1 2166 . 19 1 1 A 191 191 ASP N N 197 118.646 117.811 0.835 1 1 2167 . 19 1 1 A 192 192 ILE H H 198 7.915 8.542 -0.627 1 1 2168 . 19 1 1 A 192 192 ILE HA H 198 4.315 4.121 0.194 1 1 2178 . 19 1 1 A 192 192 ILE C C 198 174.684 176.491 -1.807 1 1 2179 . 19 1 1 A 192 192 ILE CA C 198 60.951 62.010 -1.059 1 1 2180 . 19 1 1 A 192 192 ILE CB C 198 41.989 37.473 4.516 1 1 2184 . 19 1 1 A 192 192 ILE N N 198 119.664 120.213 -0.549 1 1 2185 . 19 1 1 A 193 193 LYS H H 199 9.175 8.278 0.897 1 1 2186 . 19 1 1 A 193 193 LYS HA H 199 4.530 4.592 -0.062 1 1 2195 . 19 1 1 A 193 193 LYS C C 199 172.639 175.393 -2.754 1 1 2196 . 19 1 1 A 193 193 LYS CA C 199 53.361 54.542 -1.181 1 1 2197 . 19 1 1 A 193 193 LYS CB C 199 34.758 32.809 1.949 1 1 2201 . 19 1 1 A 193 193 LYS N N 199 127.122 127.399 -0.277 1 1 2202 . 19 1 1 A 195 195 ASP H H 201 8.390 8.417 -0.027 1 1 2203 . 19 1 1 A 195 195 ASP HA H 201 4.550 4.876 -0.326 1 1 2206 . 19 1 1 A 195 195 ASP C C 201 179.300 176.537 2.763 1 1 2207 . 19 1 1 A 195 195 ASP CA C 201 51.354 53.236 -1.882 1 1 2208 . 19 1 1 A 195 195 ASP CB C 201 40.324 41.365 -1.041 1 1 2209 . 19 1 1 A 195 195 ASP N N 201 123.239 122.672 0.567 1 1 2210 . 19 1 1 A 196 196 GLY HA2 H 202 3.718 3.749 -0.031 1 1 2211 . 19 1 1 A 196 196 GLY HA3 H 202 3.437 3.793 -0.356 1 1 2212 . 19 1 1 A 196 196 GLY CA C 202 46.527 45.976 0.551 1 1 2213 . 19 1 1 A 197 197 LYS H H 203 7.740 8.578 -0.838 1 1 2214 . 19 1 1 A 197 197 LYS HA H 203 4.118 4.016 0.102 1 1 2221 . 19 1 1 A 197 197 LYS C C 203 174.941 177.019 -2.078 1 1 2222 . 19 1 1 A 197 197 LYS CA C 203 55.054 58.436 -3.382 1 1 2223 . 19 1 1 A 197 197 LYS CB C 203 31.192 31.372 -0.180 1 1 2226 . 19 1 1 A 197 197 LYS N N 203 120.305 119.055 1.250 1 1 2227 . 19 1 1 A 198 198 ARG H H 204 8.059 7.602 0.457 1 1 2228 . 19 1 1 A 198 198 ARG HA H 204 3.441 4.434 -0.993 1 1 2235 . 19 1 1 A 198 198 ARG C C 204 175.152 175.070 0.082 1 1 2236 . 19 1 1 A 198 198 ARG CA C 204 56.911 56.260 0.651 1 1 2237 . 19 1 1 A 198 198 ARG CB C 204 26.584 32.673 -6.089 1 1 2240 . 19 1 1 A 198 198 ARG N N 204 111.796 114.003 -2.207 1 1 2241 . 19 1 1 A 199 199 HIS H H 205 8.531 7.532 0.999 1 1 2242 . 19 1 1 A 199 199 HIS HA H 205 4.812 4.765 0.047 1 1 2247 . 19 1 1 A 199 199 HIS C C 205 174.866 172.147 2.719 1 1 2248 . 19 1 1 A 199 199 HIS CA C 205 53.700 54.641 -0.941 1 1 2249 . 19 1 1 A 199 199 HIS CB C 205 27.838 31.166 -3.328 1 1 2250 . 19 1 1 A 199 199 HIS N N 205 120.255 114.726 5.529 1 1 2251 . 19 1 1 A 200 200 ALA H H 206 8.492 8.948 -0.456 1 1 2252 . 19 1 1 A 200 200 ALA HA H 206 4.615 4.660 -0.045 1 1 2256 . 19 1 1 A 200 200 ALA C C 206 175.840 176.697 -0.857 1 1 2257 . 19 1 1 A 200 200 ALA CA C 206 52.247 50.416 1.831 1 1 2258 . 19 1 1 A 200 200 ALA CB C 206 19.838 19.518 0.320 1 1 2259 . 19 1 1 A 200 200 ALA N N 206 123.237 121.914 1.323 1 1 2260 . 19 1 1 A 201 201 VAL H H 207 9.174 8.540 0.634 1 1 2261 . 19 1 1 A 201 201 VAL HA H 207 4.976 4.192 0.784 1 1 2269 . 19 1 1 A 201 201 VAL C C 207 173.390 175.365 -1.975 1 1 2270 . 19 1 1 A 201 201 VAL CA C 207 60.775 62.877 -2.102 1 1 2271 . 19 1 1 A 201 201 VAL CB C 207 35.488 32.348 3.140 1 1 2274 . 19 1 1 A 201 201 VAL N N 207 123.250 123.215 0.035 1 1 2275 . 19 1 1 A 202 202 ILE H H 208 8.887 8.065 0.822 1 1 2276 . 19 1 1 A 202 202 ILE HA H 208 4.312 5.043 -0.731 1 1 2286 . 19 1 1 A 202 202 ILE C C 208 174.670 174.916 -0.246 1 1 2287 . 19 1 1 A 202 202 ILE CA C 208 60.815 59.363 1.452 1 1 2288 . 19 1 1 A 202 202 ILE CB C 208 41.576 40.384 1.192 1 1 2292 . 19 1 1 A 202 202 ILE N N 208 122.699 125.456 -2.757 1 1 2293 . 19 1 1 A 203 203 SER H H 209 8.416 8.654 -0.238 1 1 2294 . 19 1 1 A 203 203 SER HA H 209 4.913 5.119 -0.206 1 1 2297 . 19 1 1 A 203 203 SER C C 209 172.984 173.002 -0.018 1 1 2298 . 19 1 1 A 203 203 SER CA C 209 55.676 57.265 -1.589 1 1 2299 . 19 1 1 A 203 203 SER CB C 209 64.355 66.150 -1.795 1 1 2300 . 19 1 1 A 203 203 SER N N 209 122.067 122.899 -0.832 1 1 2301 . 19 1 1 A 204 204 GLY H H 210 7.292 7.819 -0.527 1 1 2302 . 19 1 1 A 204 204 GLY HA2 H 210 4.432 4.275 0.157 1 1 2303 . 19 1 1 A 204 204 GLY HA3 H 210 3.352 4.302 -0.950 1 1 2304 . 19 1 1 A 204 204 GLY C C 210 172.482 172.293 0.189 1 1 2305 . 19 1 1 A 204 204 GLY CA C 210 45.167 45.267 -0.100 1 1 2306 . 19 1 1 A 204 204 GLY N N 210 110.488 111.584 -1.096 1 1 2307 . 19 1 1 A 205 205 SER H H 211 8.652 8.771 -0.119 1 1 2308 . 19 1 1 A 205 205 SER HA H 211 5.027 5.415 -0.388 1 1 2311 . 19 1 1 A 205 205 SER C C 211 172.852 173.386 -0.534 1 1 2312 . 19 1 1 A 205 205 SER CA C 211 58.806 57.657 1.149 1 1 2313 . 19 1 1 A 205 205 SER CB C 211 64.384 66.144 -1.760 1 1 2314 . 19 1 1 A 205 205 SER N N 211 116.497 117.334 -0.837 1 1 2315 . 19 1 1 A 206 206 VAL H H 212 7.400 8.306 -0.906 1 1 2316 . 19 1 1 A 206 206 VAL HA H 212 5.032 4.617 0.415 1 1 2324 . 19 1 1 A 206 206 VAL C C 212 174.500 175.341 -0.841 1 1 2325 . 19 1 1 A 206 206 VAL CA C 212 58.764 61.437 -2.673 1 1 2326 . 19 1 1 A 206 206 VAL CB C 212 30.512 35.243 -4.731 1 1 2329 . 19 1 1 A 206 206 VAL N N 212 117.101 123.320 -6.219 1 1 2330 . 19 1 1 A 207 207 LEU H H 213 8.961 8.754 0.207 1 1 2331 . 19 1 1 A 207 207 LEU HA H 213 5.312 4.636 0.676 1 1 2341 . 19 1 1 A 207 207 LEU C C 213 175.520 175.847 -0.327 1 1 2342 . 19 1 1 A 207 207 LEU CA C 213 52.630 54.534 -1.904 1 1 2343 . 19 1 1 A 207 207 LEU CB C 213 45.567 42.380 3.187 1 1 2347 . 19 1 1 A 207 207 LEU N N 213 124.185 127.789 -3.604 1 1 2348 . 19 1 1 A 208 208 TYR H H 214 8.836 8.674 0.162 1 1 2349 . 19 1 1 A 208 208 TYR HA H 214 4.766 4.812 -0.046 1 1 2356 . 19 1 1 A 208 208 TYR C C 214 175.964 174.898 1.066 1 1 2357 . 19 1 1 A 208 208 TYR CA C 214 56.943 57.974 -1.031 1 1 2358 . 19 1 1 A 208 208 TYR CB C 214 41.736 41.944 -0.208 1 1 2359 . 19 1 1 A 208 208 TYR N N 214 120.202 119.810 0.392 1 1 2360 . 19 1 1 A 209 209 ASN H H 215 9.292 9.167 0.125 1 1 2361 . 19 1 1 A 209 209 ASN HA H 215 4.001 4.335 -0.334 1 1 2366 . 19 1 1 A 209 209 ASN C C 215 174.336 174.570 -0.234 1 1 2367 . 19 1 1 A 209 209 ASN CA C 215 53.923 54.589 -0.666 1 1 2368 . 19 1 1 A 209 209 ASN CB C 215 36.468 36.944 -0.476 1 1 2369 . 19 1 1 A 209 209 ASN N N 215 129.805 126.269 3.536 1 1 2371 . 19 1 1 A 210 210 GLN H H 216 8.614 8.443 0.171 1 1 2372 . 19 1 1 A 210 210 GLN HA H 216 3.453 3.822 -0.369 1 1 2379 . 19 1 1 A 210 210 GLN C C 216 173.521 174.712 -1.191 1 1 2380 . 19 1 1 A 210 210 GLN CA C 216 57.881 57.389 0.492 1 1 2381 . 19 1 1 A 210 210 GLN CB C 216 26.089 26.940 -0.851 1 1 2383 . 19 1 1 A 210 210 GLN N N 216 106.396 109.485 -3.089 1 1 2385 . 19 1 1 A 211 211 ALA H H 217 7.657 7.627 0.030 1 1 2386 . 19 1 1 A 211 211 ALA HA H 217 4.608 4.673 -0.065 1 1 2390 . 19 1 1 A 211 211 ALA C C 217 176.432 176.785 -0.353 1 1 2391 . 19 1 1 A 211 211 ALA CA C 217 50.786 50.984 -0.198 1 1 2392 . 19 1 1 A 211 211 ALA CB C 217 20.499 21.150 -0.651 1 1 2393 . 19 1 1 A 211 211 ALA N N 217 123.338 118.609 4.729 1 1 2394 . 19 1 1 A 212 212 GLU H H 218 8.712 8.772 -0.060 1 1 2395 . 19 1 1 A 212 212 GLU HA H 218 4.525 4.269 0.256 1 1 2400 . 19 1 1 A 212 212 GLU C C 218 177.924 174.835 3.089 1 1 2401 . 19 1 1 A 212 212 GLU CA C 218 57.550 57.957 -0.407 1 1 2402 . 19 1 1 A 212 212 GLU CB C 218 28.811 29.164 -0.353 1 1 2404 . 19 1 1 A 212 212 GLU N N 218 122.631 116.668 5.963 1 1 2405 . 19 1 1 A 213 213 LYS H H 219 8.835 8.873 -0.038 1 1 2406 . 19 1 1 A 213 213 LYS HA H 219 4.612 4.875 -0.263 1 1 2415 . 19 1 1 A 213 213 LYS C C 219 173.786 175.908 -2.122 1 1 2416 . 19 1 1 A 213 213 LYS CA C 219 53.115 55.309 -2.194 1 1 2417 . 19 1 1 A 213 213 LYS CB C 219 34.180 35.380 -1.200 1 1 2421 . 19 1 1 A 213 213 LYS N N 219 126.870 120.748 6.122 1 1 2422 . 19 1 1 A 214 214 GLY H H 220 7.929 9.322 -1.393 1 1 2423 . 19 1 1 A 214 214 GLY HA2 H 220 5.469 4.157 1.312 1 1 2424 . 19 1 1 A 214 214 GLY HA3 H 220 3.719 4.159 -0.440 1 1 2425 . 19 1 1 A 214 214 GLY C C 220 173.926 173.033 0.893 1 1 2426 . 19 1 1 A 214 214 GLY CA C 220 44.536 44.070 0.466 1 1 2427 . 19 1 1 A 214 214 GLY N N 220 107.019 112.939 -5.920 1 1 2428 . 19 1 1 A 215 215 SER H H 221 8.678 8.710 -0.032 1 1 2429 . 19 1 1 A 215 215 SER HA H 221 5.460 5.487 -0.027 1 1 2432 . 19 1 1 A 215 215 SER C C 221 171.043 172.744 -1.701 1 1 2433 . 19 1 1 A 215 215 SER CA C 221 56.810 57.152 -0.342 1 1 2434 . 19 1 1 A 215 215 SER CB C 221 66.671 66.353 0.318 1 1 2435 . 19 1 1 A 215 215 SER N N 221 117.334 114.481 2.853 1 1 2436 . 19 1 1 A 216 216 TYR H H 222 8.958 9.195 -0.237 1 1 2437 . 19 1 1 A 216 216 TYR HA H 222 5.389 5.633 -0.244 1 1 2445 . 19 1 1 A 216 216 TYR C C 222 172.789 172.645 0.144 1 1 2446 . 19 1 1 A 216 216 TYR CA C 222 55.819 55.692 0.127 1 1 2447 . 19 1 1 A 216 216 TYR CB C 222 41.681 42.529 -0.848 1 1 2448 . 19 1 1 A 216 216 TYR N N 222 117.645 119.148 -1.503 1 1 2449 . 19 1 1 A 217 217 SER H H 223 8.837 9.076 -0.239 1 1 2450 . 19 1 1 A 217 217 SER HA H 223 5.165 5.133 0.032 1 1 2453 . 19 1 1 A 217 217 SER C C 223 173.125 172.426 0.699 1 1 2454 . 19 1 1 A 217 217 SER CA C 223 56.600 56.759 -0.159 1 1 2455 . 19 1 1 A 217 217 SER CB C 223 64.500 65.320 -0.820 1 1 2456 . 19 1 1 A 217 217 SER N N 223 115.593 115.461 0.132 1 1 2457 . 19 1 1 A 218 218 LEU H H 224 9.299 8.728 0.571 1 1 2458 . 19 1 1 A 218 218 LEU HA H 224 4.748 5.101 -0.353 1 1 2468 . 19 1 1 A 218 218 LEU C C 224 175.567 175.151 0.416 1 1 2469 . 19 1 1 A 218 218 LEU CA C 224 53.138 53.663 -0.525 1 1 2470 . 19 1 1 A 218 218 LEU CB C 224 46.255 45.613 0.642 1 1 2474 . 19 1 1 A 218 218 LEU N N 224 123.523 121.664 1.859 1 1 2475 . 19 1 1 A 219 219 GLY H H 225 9.041 8.936 0.105 1 1 2476 . 19 1 1 A 219 219 GLY HA2 H 225 4.620 4.055 0.565 1 1 2477 . 19 1 1 A 219 219 GLY HA3 H 225 3.413 4.233 -0.820 1 1 2478 . 19 1 1 A 219 219 GLY C C 225 171.514 171.619 -0.105 1 1 2479 . 19 1 1 A 219 219 GLY CA C 225 43.777 43.628 0.149 1 1 2480 . 19 1 1 A 219 219 GLY N N 225 108.999 106.528 2.471 1 1 2481 . 19 1 1 A 220 220 ILE H H 226 6.853 8.464 -1.611 1 1 2482 . 19 1 1 A 220 220 ILE HA H 226 4.615 4.686 -0.071 1 1 2492 . 19 1 1 A 220 220 ILE C C 226 174.750 174.785 -0.035 1 1 2493 . 19 1 1 A 220 220 ILE CA C 226 60.421 59.932 0.489 1 1 2494 . 19 1 1 A 220 220 ILE CB C 226 38.213 38.758 -0.545 1 1 2498 . 19 1 1 A 220 220 ILE N N 226 120.223 121.132 -0.909 1 1 2499 . 19 1 1 A 221 221 PHE H H 227 9.392 9.088 0.304 1 1 2500 . 19 1 1 A 221 221 PHE HA H 227 4.770 4.958 -0.188 1 1 2507 . 19 1 1 A 221 221 PHE C C 227 175.093 175.409 -0.316 1 1 2508 . 19 1 1 A 221 221 PHE CA C 227 58.053 56.273 1.780 1 1 2509 . 19 1 1 A 221 221 PHE CB C 227 42.505 42.054 0.451 1 1 2510 . 19 1 1 A 221 221 PHE N N 227 128.229 125.970 2.259 1 1 2511 . 19 1 1 A 222 222 GLY H H 228 8.675 8.590 0.085 1 1 2512 . 19 1 1 A 222 222 GLY HA2 H 228 3.174 3.954 -0.780 1 1 2513 . 19 1 1 A 222 222 GLY HA3 H 228 4.311 4.211 0.100 1 1 2514 . 19 1 1 A 222 222 GLY CA C 228 42.438 44.641 -2.203 1 1 2515 . 19 1 1 A 222 222 GLY N N 228 104.634 110.837 -6.203 1 1 2516 . 19 1 1 A 223 223 GLY CA C 229 46.870 46.385 0.485 1 1 2517 . 19 1 1 A 224 224 LYS H H 230 8.366 7.627 0.739 1 1 2518 . 19 1 1 A 224 224 LYS HA H 230 4.305 4.507 -0.202 1 1 2523 . 19 1 1 A 224 224 LYS C C 230 174.717 175.597 -0.880 1 1 2524 . 19 1 1 A 224 224 LYS CA C 230 54.119 54.780 -0.661 1 1 2525 . 19 1 1 A 224 224 LYS CB C 230 30.821 33.047 -2.226 1 1 2527 . 19 1 1 A 224 224 LYS N N 230 118.720 118.365 0.355 1 1 2528 . 19 1 1 A 225 225 ALA H H 231 7.633 8.196 -0.563 1 1 2529 . 19 1 1 A 225 225 ALA HA H 231 3.810 4.161 -0.351 1 1 2533 . 19 1 1 A 225 225 ALA C C 231 176.702 177.412 -0.710 1 1 2534 . 19 1 1 A 225 225 ALA CA C 231 51.868 53.120 -1.252 1 1 2535 . 19 1 1 A 225 225 ALA CB C 231 16.117 17.107 -0.990 1 1 2536 . 19 1 1 A 225 225 ALA N N 231 118.077 120.383 -2.306 1 1 2537 . 19 1 1 A 226 226 GLN H H 232 9.387 7.828 1.559 1 1 2538 . 19 1 1 A 226 226 GLN HA H 232 3.877 4.235 -0.358 1 1 2543 . 19 1 1 A 226 226 GLN C C 232 175.992 175.625 0.367 1 1 2544 . 19 1 1 A 226 226 GLN CA C 232 60.989 57.720 3.269 1 1 2545 . 19 1 1 A 226 226 GLN CB C 232 28.695 29.949 -1.254 1 1 2547 . 19 1 1 A 226 226 GLN N N 232 117.991 118.164 -0.173 1 1 2548 . 19 1 1 A 227 227 GLU H H 233 8.825 7.318 1.507 1 1 2549 . 19 1 1 A 227 227 GLU HA H 233 5.411 4.162 1.249 1 1 2554 . 19 1 1 A 227 227 GLU C C 233 174.939 173.659 1.280 1 1 2555 . 19 1 1 A 227 227 GLU CA C 233 54.289 55.181 -0.892 1 1 2556 . 19 1 1 A 227 227 GLU CB C 233 33.797 32.005 1.792 1 1 2558 . 19 1 1 A 227 227 GLU N N 233 116.638 114.706 1.932 1 1 2559 . 19 1 1 A 228 228 VAL H H 234 8.343 8.643 -0.300 1 1 2560 . 19 1 1 A 228 228 VAL HA H 234 5.544 5.178 0.366 1 1 2568 . 19 1 1 A 228 228 VAL C C 234 174.839 174.224 0.615 1 1 2569 . 19 1 1 A 228 228 VAL CA C 234 57.867 59.982 -2.115 1 1 2570 . 19 1 1 A 228 228 VAL CB C 234 35.379 35.767 -0.388 1 1 2573 . 19 1 1 A 228 228 VAL N N 234 109.304 116.123 -6.819 1 1 2574 . 19 1 1 A 229 229 ALA H H 235 8.475 8.522 -0.047 1 1 2575 . 19 1 1 A 229 229 ALA HA H 235 4.937 5.050 -0.113 1 1 2579 . 19 1 1 A 229 229 ALA C C 235 176.417 175.956 0.461 1 1 2580 . 19 1 1 A 229 229 ALA CA C 235 51.303 51.052 0.251 1 1 2581 . 19 1 1 A 229 229 ALA CB C 235 20.301 22.980 -2.679 1 1 2582 . 19 1 1 A 229 229 ALA N N 235 120.653 123.931 -3.278 1 1 2583 . 19 1 1 A 230 230 GLY H H 236 9.361 8.088 1.273 1 1 2584 . 19 1 1 A 230 230 GLY HA2 H 236 5.075 4.314 0.761 1 1 2585 . 19 1 1 A 230 230 GLY HA3 H 236 4.017 4.324 -0.307 1 1 2586 . 19 1 1 A 230 230 GLY C C 236 170.130 172.120 -1.990 1 1 2587 . 19 1 1 A 230 230 GLY CA C 236 46.221 45.992 0.229 1 1 2588 . 19 1 1 A 230 230 GLY N N 236 111.104 106.545 4.559 1 1 2589 . 19 1 1 A 231 231 SER H H 237 8.889 8.865 0.024 1 1 2590 . 19 1 1 A 231 231 SER HA H 237 5.276 5.364 -0.088 1 1 2593 . 19 1 1 A 231 231 SER C C 237 171.360 172.771 -1.411 1 1 2594 . 19 1 1 A 231 231 SER CA C 237 56.498 57.344 -0.846 1 1 2595 . 19 1 1 A 231 231 SER CB C 237 66.398 66.519 -0.121 1 1 2596 . 19 1 1 A 231 231 SER N N 237 115.308 116.347 -1.039 1 1 2597 . 19 1 1 A 232 232 ALA H H 238 9.083 9.068 0.015 1 1 2598 . 19 1 1 A 232 232 ALA HA H 238 5.148 5.466 -0.318 1 1 2602 . 19 1 1 A 232 232 ALA C C 238 174.537 174.911 -0.374 1 1 2603 . 19 1 1 A 232 232 ALA CA C 238 49.904 50.377 -0.473 1 1 2604 . 19 1 1 A 232 232 ALA CB C 238 21.729 23.008 -1.279 1 1 2605 . 19 1 1 A 232 232 ALA N N 238 119.911 123.775 -3.864 1 1 2606 . 19 1 1 A 233 233 GLU H H 239 9.015 8.983 0.032 1 1 2607 . 19 1 1 A 233 233 GLU HA H 239 4.631 4.853 -0.222 1 1 2612 . 19 1 1 A 233 233 GLU C C 239 174.122 174.634 -0.512 1 1 2613 . 19 1 1 A 233 233 GLU CA C 239 54.786 54.725 0.061 1 1 2614 . 19 1 1 A 233 233 GLU CB C 239 31.355 32.449 -1.094 1 1 2616 . 19 1 1 A 233 233 GLU N N 239 122.744 122.453 0.291 1 1 2617 . 19 1 1 A 234 234 VAL H H 240 8.792 8.934 -0.142 1 1 2618 . 19 1 1 A 234 234 VAL HA H 240 4.394 4.723 -0.329 1 1 2623 . 19 1 1 A 234 234 VAL C C 240 174.833 174.717 0.116 1 1 2624 . 19 1 1 A 234 234 VAL CA C 240 61.427 59.445 1.982 1 1 2625 . 19 1 1 A 234 234 VAL CB C 240 33.863 35.005 -1.142 1 1 2627 . 19 1 1 A 234 234 VAL N N 240 124.203 126.197 -1.994 1 1 2628 . 19 1 1 A 235 235 LYS H H 241 8.841 8.429 0.412 1 1 2629 . 19 1 1 A 235 235 LYS HA H 241 3.981 4.466 -0.485 1 1 2638 . 19 1 1 A 235 235 LYS C C 241 174.548 175.166 -0.618 1 1 2639 . 19 1 1 A 235 235 LYS CA C 241 55.955 56.481 -0.526 1 1 2640 . 19 1 1 A 235 235 LYS CB C 241 32.100 33.822 -1.722 1 1 2644 . 19 1 1 A 235 235 LYS N N 241 127.554 127.153 0.401 1 1 2645 . 19 1 1 A 236 236 THR H H 242 7.212 8.321 -1.109 1 1 2646 . 19 1 1 A 236 236 THR HA H 242 4.355 4.938 -0.583 1 1 2651 . 19 1 1 A 236 236 THR C C 242 176.482 174.889 1.593 1 1 2652 . 19 1 1 A 236 236 THR CA C 242 61.054 60.953 0.101 1 1 2653 . 19 1 1 A 236 236 THR CB C 242 72.642 73.197 -0.555 1 1 2655 . 19 1 1 A 236 236 THR N N 242 114.463 113.876 0.587 1 1 2656 . 19 1 1 A 237 237 VAL H H 243 9.582 8.783 0.799 1 1 2657 . 19 1 1 A 237 237 VAL HA H 243 3.849 3.875 -0.026 1 1 2665 . 19 1 1 A 237 237 VAL C C 243 176.201 176.447 -0.246 1 1 2666 . 19 1 1 A 237 237 VAL CA C 243 64.701 64.638 0.063 1 1 2667 . 19 1 1 A 237 237 VAL CB C 243 31.028 31.415 -0.387 1 1 2669 . 19 1 1 A 237 237 VAL N N 243 120.670 123.480 -2.810 1 1 2670 . 19 1 1 A 238 238 ASN H H 244 7.572 7.936 -0.364 1 1 2671 . 19 1 1 A 238 238 ASN HA H 244 4.882 4.818 0.064 1 1 2676 . 19 1 1 A 238 238 ASN C C 244 173.835 175.640 -1.805 1 1 2677 . 19 1 1 A 238 238 ASN CA C 244 52.022 53.141 -1.119 1 1 2678 . 19 1 1 A 238 238 ASN CB C 244 39.176 39.289 -0.113 1 1 2679 . 19 1 1 A 238 238 ASN N N 244 115.638 118.417 -2.779 1 1 2681 . 19 1 1 A 239 239 GLY H H 245 7.362 8.083 -0.721 1 1 2682 . 19 1 1 A 239 239 GLY HA2 H 245 4.539 4.034 0.505 1 1 2683 . 19 1 1 A 239 239 GLY HA3 H 245 3.728 4.041 -0.313 1 1 2684 . 19 1 1 A 239 239 GLY C C 245 174.343 172.728 1.615 1 1 2685 . 19 1 1 A 239 239 GLY CA C 245 43.316 44.059 -0.743 1 1 2686 . 19 1 1 A 239 239 GLY N N 245 107.650 106.202 1.448 1 1 2687 . 19 1 1 A 240 240 ILE H H 246 8.672 8.307 0.365 1 1 2688 . 19 1 1 A 240 240 ILE HA H 246 4.351 4.492 -0.141 1 1 2698 . 19 1 1 A 240 240 ILE C C 246 176.899 175.174 1.725 1 1 2699 . 19 1 1 A 240 240 ILE CA C 246 61.120 60.779 0.341 1 1 2700 . 19 1 1 A 240 240 ILE CB C 246 36.906 38.965 -2.059 1 1 2704 . 19 1 1 A 240 240 ILE N N 246 122.673 120.482 2.191 1 1 2705 . 19 1 1 A 241 241 ARG H H 247 9.233 9.157 0.076 1 1 2706 . 19 1 1 A 241 241 ARG HA H 247 4.370 5.057 -0.687 1 1 2713 . 19 1 1 A 241 241 ARG C C 247 173.925 174.553 -0.628 1 1 2714 . 19 1 1 A 241 241 ARG CA C 247 53.461 54.519 -1.058 1 1 2715 . 19 1 1 A 241 241 ARG CB C 247 31.910 33.816 -1.906 1 1 2718 . 19 1 1 A 241 241 ARG N N 247 128.497 126.571 1.926 1 1 2719 . 19 1 1 A 242 242 HIS H H 248 8.519 9.127 -0.608 1 1 2720 . 19 1 1 A 242 242 HIS HA H 248 5.323 5.376 -0.053 1 1 2725 . 19 1 1 A 242 242 HIS C C 248 174.635 175.145 -0.510 1 1 2726 . 19 1 1 A 242 242 HIS CA C 248 55.759 55.522 0.237 1 1 2727 . 19 1 1 A 242 242 HIS CB C 248 32.921 32.387 0.534 1 1 2728 . 19 1 1 A 242 242 HIS N N 248 121.131 119.275 1.856 1 1 2729 . 19 1 1 A 243 243 ILE H H 249 8.723 9.029 -0.306 1 1 2730 . 19 1 1 A 243 243 ILE HA H 249 4.522 4.685 -0.163 1 1 2740 . 19 1 1 A 243 243 ILE C C 249 176.188 175.672 0.516 1 1 2741 . 19 1 1 A 243 243 ILE CA C 249 58.524 59.855 -1.331 1 1 2742 . 19 1 1 A 243 243 ILE CB C 249 41.977 42.426 -0.449 1 1 2746 . 19 1 1 A 243 243 ILE N N 249 119.438 121.375 -1.937 1 1 2747 . 19 1 1 A 244 244 GLY H H 250 9.351 8.798 0.553 1 1 2748 . 19 1 1 A 244 244 GLY HA2 H 250 3.707 2.483 1.224 1 1 2749 . 19 1 1 A 244 244 GLY HA3 H 250 2.119 3.705 -1.586 1 1 2750 . 19 1 1 A 244 244 GLY C C 250 170.981 171.993 -1.012 1 1 2751 . 19 1 1 A 244 244 GLY CA C 250 44.178 44.571 -0.393 1 1 2752 . 19 1 1 A 244 244 GLY N N 250 113.700 113.321 0.379 1 1 2753 . 19 1 1 A 245 245 LEU H H 251 7.833 8.402 -0.569 1 1 2754 . 19 1 1 A 245 245 LEU HA H 251 4.717 5.059 -0.342 1 1 2764 . 19 1 1 A 245 245 LEU C C 251 174.501 176.034 -1.533 1 1 2765 . 19 1 1 A 245 245 LEU CA C 251 52.508 53.488 -0.980 1 1 2766 . 19 1 1 A 245 245 LEU CB C 251 46.764 43.800 2.964 1 1 2770 . 19 1 1 A 245 245 LEU N N 251 120.798 124.587 -3.789 1 1 2771 . 19 1 1 A 246 246 ALA H H 252 7.906 8.662 -0.756 1 1 2772 . 19 1 1 A 246 246 ALA HA H 252 4.589 4.890 -0.301 1 1 2776 . 19 1 1 A 246 246 ALA C C 252 173.363 175.948 -2.585 1 1 2777 . 19 1 1 A 246 246 ALA CA C 252 51.546 51.811 -0.265 1 1 2778 . 19 1 1 A 246 246 ALA CB C 252 21.524 20.067 1.457 1 1 2779 . 19 1 1 A 246 246 ALA N N 252 122.885 124.652 -1.767 1 1 2780 . 19 1 1 A 247 247 ALA H H 253 9.041 9.020 0.021 1 1 2781 . 19 1 1 A 247 247 ALA HA H 253 4.726 5.702 -0.976 1 1 2785 . 19 1 1 A 247 247 ALA C C 253 174.897 175.482 -0.585 1 1 2786 . 19 1 1 A 247 247 ALA CA C 253 51.723 49.951 1.772 1 1 2787 . 19 1 1 A 247 247 ALA CB C 253 22.967 22.524 0.443 1 1 2788 . 19 1 1 A 247 247 ALA N N 253 122.967 126.129 -3.162 1 1 2789 . 19 1 1 A 248 248 LYS H H 254 8.171 8.802 -0.631 1 1 2790 . 19 1 1 A 248 248 LYS HA H 254 5.731 4.735 0.996 1 1 2797 . 19 1 1 A 248 248 LYS C C 254 175.094 175.023 0.071 1 1 2798 . 19 1 1 A 248 248 LYS CA C 254 53.866 54.846 -0.980 1 1 2799 . 19 1 1 A 248 248 LYS CB C 254 36.312 36.077 0.235 1 1 2802 . 19 1 1 A 248 248 LYS N N 254 115.734 121.941 -6.207 1 1 60 . 20 1 1 A 9 9 GLY H H 15 8.346 8.312 0.034 1 1 61 . 20 1 1 A 9 9 GLY HA2 H 15 4.021 3.902 0.119 1 1 62 . 20 1 1 A 9 9 GLY HA3 H 15 3.772 3.908 -0.136 1 1 63 . 20 1 1 A 9 9 GLY C C 15 174.259 175.674 -1.415 1 1 64 . 20 1 1 A 9 9 GLY CA C 15 45.581 46.483 -0.902 1 1 65 . 20 1 1 A 9 9 GLY N N 15 107.368 106.936 0.432 1 1 66 . 20 1 1 A 10 10 LEU H H 16 7.224 8.005 -0.781 1 1 67 . 20 1 1 A 10 10 LEU HA H 16 3.736 4.061 -0.325 1 1 77 . 20 1 1 A 10 10 LEU C C 16 178.202 178.565 -0.363 1 1 78 . 20 1 1 A 10 10 LEU CA C 16 57.915 58.051 -0.136 1 1 79 . 20 1 1 A 10 10 LEU CB C 16 40.686 41.364 -0.678 1 1 83 . 20 1 1 A 10 10 LEU N N 16 117.616 118.468 -0.852 1 1 84 . 20 1 1 A 11 11 ALA H H 17 7.860 7.731 0.129 1 1 85 . 20 1 1 A 11 11 ALA HA H 17 3.937 3.956 -0.019 1 1 89 . 20 1 1 A 11 11 ALA C C 17 181.090 179.658 1.432 1 1 90 . 20 1 1 A 11 11 ALA CA C 17 54.860 55.763 -0.903 1 1 91 . 20 1 1 A 11 11 ALA CB C 17 17.248 18.396 -1.148 1 1 92 . 20 1 1 A 11 11 ALA N N 17 117.757 123.095 -5.338 1 1 93 . 20 1 1 A 12 12 ASP H H 18 8.017 8.194 -0.177 1 1 94 . 20 1 1 A 12 12 ASP HA H 18 4.223 4.356 -0.133 1 1 97 . 20 1 1 A 12 12 ASP C C 18 177.941 177.870 0.071 1 1 98 . 20 1 1 A 12 12 ASP CA C 18 56.341 57.001 -0.660 1 1 99 . 20 1 1 A 12 12 ASP CB C 18 39.312 41.129 -1.817 1 1 100 . 20 1 1 A 12 12 ASP N N 18 118.410 118.060 0.350 1 1 101 . 20 1 1 A 13 13 ALA H H 19 8.205 7.781 0.424 1 1 102 . 20 1 1 A 13 13 ALA HA H 19 3.952 4.267 -0.315 1 1 106 . 20 1 1 A 13 13 ALA C C 19 178.856 178.370 0.486 1 1 107 . 20 1 1 A 13 13 ALA CA C 19 55.039 53.757 1.282 1 1 108 . 20 1 1 A 13 13 ALA CB C 19 17.779 18.561 -0.782 1 1 109 . 20 1 1 A 13 13 ALA N N 19 121.480 120.774 0.706 1 1 110 . 20 1 1 A 14 14 LEU H H 20 7.217 7.439 -0.222 1 1 111 . 20 1 1 A 14 14 LEU HA H 20 4.258 4.297 -0.039 1 1 121 . 20 1 1 A 14 14 LEU C C 20 177.544 178.899 -1.355 1 1 122 . 20 1 1 A 14 14 LEU CA C 20 55.511 56.724 -1.213 1 1 123 . 20 1 1 A 14 14 LEU CB C 20 42.176 42.908 -0.732 1 1 126 . 20 1 1 A 14 14 LEU N N 20 113.410 116.785 -3.375 1 1 127 . 20 1 1 A 15 15 THR H H 21 7.624 7.384 0.240 1 1 128 . 20 1 1 A 15 15 THR HA H 21 4.394 4.286 0.108 1 1 133 . 20 1 1 A 15 15 THR C C 21 174.959 174.787 0.172 1 1 134 . 20 1 1 A 15 15 THR CA C 21 61.733 63.891 -2.158 1 1 135 . 20 1 1 A 15 15 THR CB C 21 71.514 69.080 2.434 1 1 137 . 20 1 1 A 15 15 THR N N 21 106.072 108.606 -2.534 1 1 138 . 20 1 1 A 16 16 ALA H H 22 8.932 8.044 0.888 1 1 139 . 20 1 1 A 16 16 ALA HA H 22 4.624 4.750 -0.126 1 1 143 . 20 1 1 A 16 16 ALA C C 22 175.978 175.531 0.447 1 1 144 . 20 1 1 A 16 16 ALA CA C 22 50.681 49.775 0.906 1 1 145 . 20 1 1 A 16 16 ALA CB C 22 18.728 21.502 -2.774 1 1 146 . 20 1 1 A 16 16 ALA N N 22 127.789 122.264 5.525 1 1 147 . 20 1 1 A 17 17 PRO HA H 23 4.430 4.801 -0.371 1 1 154 . 20 1 1 A 17 17 PRO CA C 23 61.497 62.640 -1.143 1 1 155 . 20 1 1 A 17 17 PRO CB C 23 31.775 33.731 -1.956 1 1 158 . 20 1 1 A 18 18 LEU H H 24 8.154 8.898 -0.744 1 1 159 . 20 1 1 A 18 18 LEU HA H 24 3.894 4.506 -0.612 1 1 169 . 20 1 1 A 18 18 LEU C C 24 176.447 176.411 0.036 1 1 170 . 20 1 1 A 18 18 LEU CA C 24 55.510 55.629 -0.119 1 1 171 . 20 1 1 A 18 18 LEU CB C 24 40.921 43.331 -2.410 1 1 175 . 20 1 1 A 18 18 LEU N N 24 121.010 119.784 1.226 1 1 176 . 20 1 1 A 19 19 ASP H H 25 8.758 7.655 1.103 1 1 177 . 20 1 1 A 19 19 ASP HA H 25 4.626 5.053 -0.427 1 1 180 . 20 1 1 A 19 19 ASP C C 25 176.425 173.906 2.519 1 1 181 . 20 1 1 A 19 19 ASP CA C 25 52.688 53.403 -0.715 1 1 182 . 20 1 1 A 19 19 ASP CB C 25 42.819 44.218 -1.399 1 1 183 . 20 1 1 A 19 19 ASP N N 25 124.654 113.998 10.656 1 1 184 . 20 1 1 A 20 20 HIS HA H 26 4.272 4.919 -0.647 1 1 189 . 20 1 1 A 20 20 HIS CA C 26 58.100 55.016 3.084 1 1 190 . 20 1 1 A 20 20 HIS CB C 26 29.200 30.232 -1.032 1 1 191 . 20 1 1 A 21 21 LYS H H 27 8.348 8.234 0.114 1 1 192 . 20 1 1 A 21 21 LYS HA H 27 3.970 4.287 -0.317 1 1 201 . 20 1 1 A 21 21 LYS C C 27 177.393 176.057 1.336 1 1 202 . 20 1 1 A 21 21 LYS CA C 27 56.320 56.771 -0.451 1 1 203 . 20 1 1 A 21 21 LYS CB C 27 30.950 34.230 -3.280 1 1 206 . 20 1 1 A 21 21 LYS N N 27 118.419 120.674 -2.255 1 1 207 . 20 1 1 A 22 22 ASP H H 28 7.451 8.232 -0.781 1 1 208 . 20 1 1 A 22 22 ASP HA H 28 4.307 4.491 -0.184 1 1 211 . 20 1 1 A 22 22 ASP C C 28 176.212 176.127 0.085 1 1 212 . 20 1 1 A 22 22 ASP CA C 28 54.164 56.022 -1.858 1 1 213 . 20 1 1 A 22 22 ASP CB C 28 40.091 40.101 -0.010 1 1 214 . 20 1 1 A 22 22 ASP N N 28 120.045 119.494 0.551 1 1 215 . 20 1 1 A 23 23 LYS H H 29 8.416 8.289 0.127 1 1 216 . 20 1 1 A 23 23 LYS HA H 29 3.962 4.481 -0.519 1 1 225 . 20 1 1 A 23 23 LYS C C 29 177.409 177.685 -0.276 1 1 226 . 20 1 1 A 23 23 LYS CA C 29 56.254 55.266 0.988 1 1 227 . 20 1 1 A 23 23 LYS CB C 29 31.950 32.400 -0.450 1 1 231 . 20 1 1 A 23 23 LYS N N 29 121.925 123.884 -1.959 1 1 232 . 20 1 1 A 24 24 GLY H H 30 8.612 7.864 0.748 1 1 233 . 20 1 1 A 24 24 GLY HA2 H 30 3.655 3.953 -0.298 1 1 234 . 20 1 1 A 24 24 GLY HA3 H 30 3.519 3.965 -0.446 1 1 235 . 20 1 1 A 24 24 GLY CA C 30 44.788 45.768 -0.980 1 1 236 . 20 1 1 A 24 24 GLY N N 30 111.487 109.852 1.635 1 1 237 . 20 1 1 A 25 25 LEU H H 31 8.054 7.645 0.409 1 1 238 . 20 1 1 A 25 25 LEU HA H 31 3.770 4.268 -0.498 1 1 248 . 20 1 1 A 25 25 LEU CA C 31 55.906 55.410 0.496 1 1 249 . 20 1 1 A 25 25 LEU CB C 31 44.428 42.663 1.765 1 1 253 . 20 1 1 A 25 25 LEU N N 31 127.196 123.165 4.031 1 1 254 . 20 1 1 A 26 26 GLN H H 32 9.184 8.792 0.392 1 1 255 . 20 1 1 A 26 26 GLN HA H 32 3.437 4.597 -1.160 1 1 262 . 20 1 1 A 26 26 GLN C C 32 174.347 175.648 -1.301 1 1 263 . 20 1 1 A 26 26 GLN CA C 32 57.926 56.754 1.172 1 1 264 . 20 1 1 A 26 26 GLN CB C 32 27.721 31.039 -3.318 1 1 266 . 20 1 1 A 26 26 GLN N N 32 131.782 125.798 5.984 1 1 268 . 20 1 1 A 27 27 SER H H 33 7.240 7.887 -0.647 1 1 269 . 20 1 1 A 27 27 SER HA H 33 4.981 5.019 -0.038 1 1 272 . 20 1 1 A 27 27 SER C C 33 171.111 172.494 -1.383 1 1 273 . 20 1 1 A 27 27 SER CA C 33 56.782 57.322 -0.540 1 1 274 . 20 1 1 A 27 27 SER CB C 33 64.611 66.317 -1.706 1 1 275 . 20 1 1 A 27 27 SER N N 33 108.936 111.581 -2.645 1 1 276 . 20 1 1 A 28 28 LEU H H 34 8.010 9.228 -1.218 1 1 277 . 20 1 1 A 28 28 LEU HA H 34 4.372 5.159 -0.787 1 1 287 . 20 1 1 A 28 28 LEU C C 34 174.697 175.464 -0.767 1 1 288 . 20 1 1 A 28 28 LEU CA C 34 53.332 53.448 -0.116 1 1 289 . 20 1 1 A 28 28 LEU CB C 34 45.636 45.396 0.240 1 1 293 . 20 1 1 A 28 28 LEU N N 34 121.826 120.590 1.236 1 1 294 . 20 1 1 A 29 29 THR H H 35 8.810 8.782 0.028 1 1 295 . 20 1 1 A 29 29 THR HA H 35 4.046 4.510 -0.464 1 1 300 . 20 1 1 A 29 29 THR C C 35 172.792 174.304 -1.512 1 1 301 . 20 1 1 A 29 29 THR CA C 35 62.565 63.154 -0.589 1 1 302 . 20 1 1 A 29 29 THR CB C 35 68.233 69.506 -1.273 1 1 304 . 20 1 1 A 29 29 THR N N 35 123.892 121.942 1.950 1 1 305 . 20 1 1 A 30 30 LEU H H 36 8.662 8.947 -0.285 1 1 306 . 20 1 1 A 30 30 LEU HA H 36 4.150 4.781 -0.631 1 1 316 . 20 1 1 A 30 30 LEU C C 36 174.707 176.296 -1.589 1 1 317 . 20 1 1 A 30 30 LEU CA C 36 53.789 54.328 -0.539 1 1 318 . 20 1 1 A 30 30 LEU CB C 36 40.562 41.101 -0.539 1 1 322 . 20 1 1 A 30 30 LEU N N 36 128.365 127.036 1.329 1 1 323 . 20 1 1 A 31 31 ASP H H 37 8.500 9.007 -0.507 1 1 324 . 20 1 1 A 31 31 ASP HA H 37 4.837 4.833 0.004 1 1 327 . 20 1 1 A 31 31 ASP CA C 37 54.657 55.533 -0.876 1 1 328 . 20 1 1 A 31 31 ASP CB C 37 43.089 42.412 0.677 1 1 329 . 20 1 1 A 31 31 ASP N N 37 123.194 125.430 -2.236 1 1 330 . 20 1 1 A 32 32 GLN H H 38 10.453 8.121 2.332 1 1 331 . 20 1 1 A 32 32 GLN HA H 38 3.808 4.443 -0.635 1 1 338 . 20 1 1 A 32 32 GLN C C 38 178.535 177.667 0.868 1 1 339 . 20 1 1 A 32 32 GLN CA C 38 56.284 56.882 -0.598 1 1 340 . 20 1 1 A 32 32 GLN CB C 38 28.175 30.153 -1.978 1 1 342 . 20 1 1 A 32 32 GLN N N 38 120.692 116.807 3.885 1 1 344 . 20 1 1 A 33 33 SER H H 39 8.523 8.068 0.455 1 1 345 . 20 1 1 A 33 33 SER HA H 39 4.081 4.310 -0.229 1 1 348 . 20 1 1 A 33 33 SER C C 39 171.792 174.304 -2.512 1 1 349 . 20 1 1 A 33 33 SER CA C 39 61.436 62.178 -0.742 1 1 350 . 20 1 1 A 33 33 SER CB C 39 63.008 63.331 -0.323 1 1 351 . 20 1 1 A 33 33 SER N N 39 111.712 113.499 -1.787 1 1 352 . 20 1 1 A 34 34 VAL H H 40 6.691 7.815 -1.124 1 1 353 . 20 1 1 A 34 34 VAL HA H 40 3.890 4.802 -0.912 1 1 361 . 20 1 1 A 34 34 VAL C C 40 172.251 174.366 -2.115 1 1 362 . 20 1 1 A 34 34 VAL CA C 40 60.415 59.883 0.532 1 1 363 . 20 1 1 A 34 34 VAL CB C 40 32.306 35.915 -3.609 1 1 366 . 20 1 1 A 34 34 VAL N N 40 115.971 118.656 -2.685 1 1 367 . 20 1 1 A 35 35 ARG H H 41 8.184 8.435 -0.251 1 1 368 . 20 1 1 A 35 35 ARG HA H 41 4.176 4.351 -0.175 1 1 375 . 20 1 1 A 35 35 ARG C C 41 176.886 177.834 -0.948 1 1 376 . 20 1 1 A 35 35 ARG CA C 41 55.599 56.257 -0.658 1 1 377 . 20 1 1 A 35 35 ARG CB C 41 30.569 31.223 -0.654 1 1 380 . 20 1 1 A 35 35 ARG N N 41 125.397 124.872 0.525 1 1 381 . 20 1 1 A 36 36 LYS H H 42 8.493 8.818 -0.325 1 1 382 . 20 1 1 A 36 36 LYS HA H 42 3.778 4.179 -0.401 1 1 391 . 20 1 1 A 36 36 LYS C C 42 176.596 176.602 -0.006 1 1 392 . 20 1 1 A 36 36 LYS CA C 42 58.687 58.278 0.409 1 1 393 . 20 1 1 A 36 36 LYS CB C 42 31.959 32.136 -0.177 1 1 397 . 20 1 1 A 36 36 LYS N N 42 119.360 122.388 -3.028 1 1 398 . 20 1 1 A 37 37 ASN H H 43 8.513 7.740 0.773 1 1 399 . 20 1 1 A 37 37 ASN HA H 43 4.438 4.810 -0.372 1 1 404 . 20 1 1 A 37 37 ASN C C 43 173.867 175.142 -1.275 1 1 405 . 20 1 1 A 37 37 ASN CA C 43 55.127 54.116 1.011 1 1 406 . 20 1 1 A 37 37 ASN CB C 43 37.071 40.598 -3.527 1 1 407 . 20 1 1 A 37 37 ASN N N 43 115.488 115.135 0.353 1 1 409 . 20 1 1 A 38 38 GLU H H 44 7.793 7.789 0.004 1 1 410 . 20 1 1 A 38 38 GLU HA H 44 4.772 4.479 0.293 1 1 413 . 20 1 1 A 38 38 GLU C C 44 175.262 175.694 -0.432 1 1 414 . 20 1 1 A 38 38 GLU CA C 44 54.808 55.904 -1.096 1 1 415 . 20 1 1 A 38 38 GLU CB C 44 32.321 30.375 1.946 1 1 416 . 20 1 1 A 38 38 GLU N N 44 118.734 117.236 1.498 1 1 417 . 20 1 1 A 39 39 LYS H H 45 8.706 8.740 -0.034 1 1 418 . 20 1 1 A 39 39 LYS HA H 45 4.606 4.629 -0.023 1 1 427 . 20 1 1 A 39 39 LYS C C 45 174.312 175.432 -1.120 1 1 428 . 20 1 1 A 39 39 LYS CA C 45 52.782 56.379 -3.597 1 1 429 . 20 1 1 A 39 39 LYS CB C 45 35.174 32.968 2.206 1 1 433 . 20 1 1 A 39 39 LYS N N 45 117.132 123.565 -6.433 1 1 434 . 20 1 1 A 40 40 LEU H H 46 9.085 9.113 -0.028 1 1 435 . 20 1 1 A 40 40 LEU HA H 46 5.044 5.067 -0.023 1 1 442 . 20 1 1 A 40 40 LEU C C 46 173.778 174.585 -0.807 1 1 443 . 20 1 1 A 40 40 LEU CA C 46 52.590 53.391 -0.801 1 1 444 . 20 1 1 A 40 40 LEU CB C 46 44.855 44.313 0.542 1 1 447 . 20 1 1 A 40 40 LEU N N 46 125.335 129.104 -3.769 1 1 448 . 20 1 1 A 41 41 LYS H H 47 9.263 8.852 0.411 1 1 449 . 20 1 1 A 41 41 LYS HA H 47 5.049 4.778 0.271 1 1 458 . 20 1 1 A 41 41 LYS C C 47 175.616 174.807 0.809 1 1 459 . 20 1 1 A 41 41 LYS CA C 47 53.864 54.877 -1.013 1 1 460 . 20 1 1 A 41 41 LYS CB C 47 32.986 34.718 -1.732 1 1 464 . 20 1 1 A 41 41 LYS N N 47 129.833 126.125 3.708 1 1 465 . 20 1 1 A 42 42 LEU H H 48 8.954 8.918 0.036 1 1 466 . 20 1 1 A 42 42 LEU HA H 48 5.458 5.325 0.133 1 1 476 . 20 1 1 A 42 42 LEU C C 48 175.565 175.877 -0.312 1 1 477 . 20 1 1 A 42 42 LEU CA C 48 51.964 53.223 -1.259 1 1 478 . 20 1 1 A 42 42 LEU CB C 48 44.393 44.428 -0.035 1 1 482 . 20 1 1 A 42 42 LEU N N 48 126.292 125.532 0.760 1 1 483 . 20 1 1 A 43 43 ALA H H 49 8.804 8.470 0.334 1 1 484 . 20 1 1 A 43 43 ALA HA H 49 5.304 5.181 0.123 1 1 488 . 20 1 1 A 43 43 ALA C C 49 176.301 175.824 0.477 1 1 489 . 20 1 1 A 43 43 ALA CA C 49 51.004 51.547 -0.543 1 1 490 . 20 1 1 A 43 43 ALA CB C 49 23.453 22.776 0.677 1 1 491 . 20 1 1 A 43 43 ALA N N 49 120.789 123.576 -2.787 1 1 492 . 20 1 1 A 44 44 ALA H H 50 8.117 8.842 -0.725 1 1 493 . 20 1 1 A 44 44 ALA HA H 50 4.485 4.505 -0.020 1 1 497 . 20 1 1 A 44 44 ALA C C 50 176.254 176.603 -0.349 1 1 498 . 20 1 1 A 44 44 ALA CA C 50 53.021 51.742 1.279 1 1 499 . 20 1 1 A 44 44 ALA CB C 50 23.682 21.667 2.015 1 1 500 . 20 1 1 A 44 44 ALA N N 50 120.678 121.068 -0.390 1 1 501 . 20 1 1 A 45 45 GLN H H 51 9.035 9.350 -0.315 1 1 502 . 20 1 1 A 45 45 GLN HA H 51 3.774 3.898 -0.124 1 1 509 . 20 1 1 A 45 45 GLN C C 51 175.259 174.917 0.342 1 1 510 . 20 1 1 A 45 45 GLN CA C 51 56.074 56.726 -0.652 1 1 511 . 20 1 1 A 45 45 GLN CB C 51 27.339 27.629 -0.290 1 1 513 . 20 1 1 A 45 45 GLN N N 51 116.299 123.102 -6.803 1 1 515 . 20 1 1 A 46 46 GLY H H 52 8.441 8.576 -0.135 1 1 516 . 20 1 1 A 46 46 GLY HA2 H 52 4.066 3.784 0.282 1 1 517 . 20 1 1 A 46 46 GLY HA3 H 52 3.510 3.784 -0.274 1 1 518 . 20 1 1 A 46 46 GLY C C 52 173.050 173.759 -0.709 1 1 519 . 20 1 1 A 46 46 GLY CA C 52 44.998 45.411 -0.413 1 1 520 . 20 1 1 A 46 46 GLY N N 52 105.419 105.635 -0.216 1 1 521 . 20 1 1 A 47 47 ALA H H 53 8.152 7.564 0.588 1 1 522 . 20 1 1 A 47 47 ALA HA H 53 4.767 4.804 -0.037 1 1 526 . 20 1 1 A 47 47 ALA C C 53 175.989 175.843 0.146 1 1 527 . 20 1 1 A 47 47 ALA CA C 53 49.918 50.782 -0.864 1 1 528 . 20 1 1 A 47 47 ALA CB C 53 22.720 22.906 -0.186 1 1 529 . 20 1 1 A 47 47 ALA N N 53 124.355 122.147 2.208 1 1 530 . 20 1 1 A 48 48 GLU H H 54 8.156 9.037 -0.881 1 1 531 . 20 1 1 A 48 48 GLU HA H 54 5.488 5.147 0.341 1 1 536 . 20 1 1 A 48 48 GLU C C 54 174.224 173.695 0.529 1 1 537 . 20 1 1 A 48 48 GLU CA C 54 54.346 54.800 -0.454 1 1 538 . 20 1 1 A 48 48 GLU CB C 54 34.305 33.759 0.546 1 1 540 . 20 1 1 A 48 48 GLU N N 54 116.655 115.957 0.698 1 1 541 . 20 1 1 A 49 49 LYS H H 55 8.852 8.826 0.026 1 1 542 . 20 1 1 A 49 49 LYS HA H 55 4.190 4.876 -0.686 1 1 549 . 20 1 1 A 49 49 LYS C C 55 172.887 174.705 -1.818 1 1 550 . 20 1 1 A 49 49 LYS CA C 55 56.414 54.825 1.589 1 1 551 . 20 1 1 A 49 49 LYS CB C 55 34.723 35.787 -1.064 1 1 554 . 20 1 1 A 49 49 LYS N N 55 122.922 120.790 2.132 1 1 555 . 20 1 1 A 50 50 THR H H 56 7.910 8.498 -0.588 1 1 556 . 20 1 1 A 50 50 THR HA H 56 4.908 4.938 -0.030 1 1 561 . 20 1 1 A 50 50 THR C C 56 173.112 173.540 -0.428 1 1 562 . 20 1 1 A 50 50 THR CA C 56 61.998 60.868 1.130 1 1 563 . 20 1 1 A 50 50 THR CB C 56 68.596 70.071 -1.475 1 1 565 . 20 1 1 A 50 50 THR N N 56 120.811 116.045 4.766 1 1 566 . 20 1 1 A 51 51 TYR H H 57 9.432 9.309 0.123 1 1 567 . 20 1 1 A 51 51 TYR HA H 57 4.493 5.549 -1.056 1 1 574 . 20 1 1 A 51 51 TYR C C 57 174.156 175.763 -1.607 1 1 575 . 20 1 1 A 51 51 TYR CA C 57 57.375 55.561 1.814 1 1 576 . 20 1 1 A 51 51 TYR CB C 57 41.895 41.837 0.058 1 1 577 . 20 1 1 A 51 51 TYR N N 57 127.372 121.881 5.491 1 1 578 . 20 1 1 A 52 52 GLY H H 58 9.154 8.677 0.477 1 1 579 . 20 1 1 A 52 52 GLY HA2 H 58 3.543 4.147 -0.604 1 1 580 . 20 1 1 A 52 52 GLY HA3 H 58 3.543 4.149 -0.606 1 1 581 . 20 1 1 A 52 52 GLY C C 58 172.527 174.107 -1.580 1 1 582 . 20 1 1 A 52 52 GLY CA C 58 42.304 45.505 -3.201 1 1 583 . 20 1 1 A 52 52 GLY N N 58 108.920 111.625 -2.705 1 1 584 . 20 1 1 A 53 53 ASN H H 59 8.877 8.465 0.412 1 1 585 . 20 1 1 A 53 53 ASN HA H 59 4.034 4.687 -0.653 1 1 588 . 20 1 1 A 53 53 ASN C C 59 176.319 175.614 0.705 1 1 589 . 20 1 1 A 53 53 ASN CA C 59 57.108 53.670 3.438 1 1 590 . 20 1 1 A 53 53 ASN CB C 59 39.672 38.180 1.492 1 1 591 . 20 1 1 A 53 53 ASN N N 59 117.281 117.699 -0.418 1 1 592 . 20 1 1 A 54 54 GLY H H 60 8.949 8.268 0.681 1 1 593 . 20 1 1 A 54 54 GLY HA2 H 60 4.222 3.851 0.371 1 1 594 . 20 1 1 A 54 54 GLY HA3 H 60 3.348 3.859 -0.511 1 1 595 . 20 1 1 A 54 54 GLY C C 60 174.096 173.090 1.006 1 1 596 . 20 1 1 A 54 54 GLY CA C 60 44.931 46.385 -1.454 1 1 597 . 20 1 1 A 54 54 GLY N N 60 114.860 112.354 2.506 1 1 598 . 20 1 1 A 55 55 ASP H H 61 7.991 7.357 0.634 1 1 599 . 20 1 1 A 55 55 ASP HA H 61 4.493 5.021 -0.528 1 1 602 . 20 1 1 A 55 55 ASP C C 61 174.727 173.955 0.772 1 1 603 . 20 1 1 A 55 55 ASP CA C 61 54.408 52.382 2.026 1 1 604 . 20 1 1 A 55 55 ASP CB C 61 41.780 43.242 -1.462 1 1 605 . 20 1 1 A 55 55 ASP N N 61 121.974 120.317 1.657 1 1 606 . 20 1 1 A 56 56 SER H H 62 8.485 8.554 -0.069 1 1 607 . 20 1 1 A 56 56 SER HA H 62 4.959 5.145 -0.186 1 1 610 . 20 1 1 A 56 56 SER C C 62 173.099 172.151 0.948 1 1 611 . 20 1 1 A 56 56 SER CA C 62 57.154 56.849 0.305 1 1 612 . 20 1 1 A 56 56 SER CB C 62 64.522 66.185 -1.663 1 1 613 . 20 1 1 A 56 56 SER N N 62 113.088 113.921 -0.833 1 1 614 . 20 1 1 A 57 57 LEU H H 63 9.004 8.630 0.374 1 1 615 . 20 1 1 A 57 57 LEU HA H 63 4.500 4.940 -0.440 1 1 625 . 20 1 1 A 57 57 LEU C C 63 175.943 176.500 -0.557 1 1 626 . 20 1 1 A 57 57 LEU CA C 63 53.070 54.645 -1.575 1 1 627 . 20 1 1 A 57 57 LEU CB C 63 43.800 43.756 0.044 1 1 630 . 20 1 1 A 57 57 LEU N N 63 126.423 126.959 -0.536 1 1 631 . 20 1 1 A 58 58 ASN H H 64 8.484 8.818 -0.334 1 1 632 . 20 1 1 A 58 58 ASN HA H 64 4.752 4.979 -0.227 1 1 635 . 20 1 1 A 58 58 ASN C C 64 173.916 175.293 -1.377 1 1 636 . 20 1 1 A 58 58 ASN CA C 64 50.587 53.228 -2.641 1 1 637 . 20 1 1 A 58 58 ASN CB C 64 35.153 39.756 -4.603 1 1 638 . 20 1 1 A 58 58 ASN N N 64 125.624 125.303 0.321 1 1 639 . 20 1 1 A 59 59 THR H H 65 7.747 8.635 -0.888 1 1 640 . 20 1 1 A 59 59 THR HA H 65 4.770 4.538 0.232 1 1 645 . 20 1 1 A 59 59 THR C C 65 177.245 174.622 2.623 1 1 646 . 20 1 1 A 59 59 THR CA C 65 63.213 62.576 0.637 1 1 647 . 20 1 1 A 59 59 THR CB C 65 63.510 71.960 -8.450 1 1 649 . 20 1 1 A 59 59 THR N N 65 113.770 116.796 -3.026 1 1 650 . 20 1 1 A 60 60 GLY H H 66 8.869 8.534 0.335 1 1 651 . 20 1 1 A 60 60 GLY HA2 H 66 3.839 3.835 0.004 1 1 652 . 20 1 1 A 60 60 GLY HA3 H 66 3.724 3.844 -0.120 1 1 653 . 20 1 1 A 60 60 GLY C C 66 173.279 175.648 -2.369 1 1 654 . 20 1 1 A 60 60 GLY CA C 66 44.892 46.893 -2.001 1 1 655 . 20 1 1 A 60 60 GLY N N 66 114.430 109.385 5.045 1 1 656 . 20 1 1 A 61 61 LYS H H 67 6.376 8.816 -2.440 1 1 657 . 20 1 1 A 61 61 LYS HA H 67 4.021 3.996 0.025 1 1 666 . 20 1 1 A 61 61 LYS C C 67 176.315 177.558 -1.243 1 1 667 . 20 1 1 A 61 61 LYS CA C 67 54.298 59.071 -4.773 1 1 668 . 20 1 1 A 61 61 LYS CB C 67 32.200 32.349 -0.149 1 1 672 . 20 1 1 A 61 61 LYS N N 67 112.620 125.913 -13.293 1 1 673 . 20 1 1 A 62 62 LEU H H 68 7.335 7.391 -0.056 1 1 674 . 20 1 1 A 62 62 LEU HA H 68 4.275 4.153 0.122 1 1 684 . 20 1 1 A 62 62 LEU C C 68 176.306 176.320 -0.014 1 1 685 . 20 1 1 A 62 62 LEU CA C 68 52.479 55.340 -2.861 1 1 686 . 20 1 1 A 62 62 LEU CB C 68 40.600 41.764 -1.164 1 1 689 . 20 1 1 A 62 62 LEU N N 68 116.704 120.425 -3.721 1 1 690 . 20 1 1 A 63 63 LYS H H 69 8.506 8.557 -0.051 1 1 691 . 20 1 1 A 63 63 LYS HA H 69 3.992 4.564 -0.572 1 1 700 . 20 1 1 A 63 63 LYS C C 69 175.886 176.089 -0.203 1 1 701 . 20 1 1 A 63 63 LYS CA C 69 54.986 56.062 -1.076 1 1 702 . 20 1 1 A 63 63 LYS CB C 69 32.447 32.703 -0.256 1 1 706 . 20 1 1 A 63 63 LYS N N 69 119.841 123.494 -3.653 1 1 707 . 20 1 1 A 64 64 ASN H H 70 8.080 8.464 -0.384 1 1 708 . 20 1 1 A 64 64 ASN HA H 70 3.839 4.436 -0.597 1 1 713 . 20 1 1 A 64 64 ASN C C 70 174.449 174.360 0.089 1 1 714 . 20 1 1 A 64 64 ASN CA C 70 54.417 54.587 -0.170 1 1 715 . 20 1 1 A 64 64 ASN CB C 70 38.129 36.994 1.135 1 1 716 . 20 1 1 A 64 64 ASN N N 70 121.515 115.035 6.480 1 1 718 . 20 1 1 A 65 65 ASP H H 71 9.218 8.471 0.747 1 1 719 . 20 1 1 A 65 65 ASP HA H 71 3.690 4.437 -0.747 1 1 722 . 20 1 1 A 65 65 ASP C C 71 173.016 174.986 -1.970 1 1 723 . 20 1 1 A 65 65 ASP CA C 71 54.726 55.609 -0.883 1 1 724 . 20 1 1 A 65 65 ASP CB C 71 38.534 39.159 -0.625 1 1 725 . 20 1 1 A 65 65 ASP N N 71 113.370 110.296 3.074 1 1 726 . 20 1 1 A 66 66 LYS H H 72 6.443 7.467 -1.024 1 1 727 . 20 1 1 A 66 66 LYS HA H 72 4.411 4.900 -0.489 1 1 734 . 20 1 1 A 66 66 LYS C C 72 174.745 174.645 0.100 1 1 735 . 20 1 1 A 66 66 LYS CA C 72 53.094 54.386 -1.292 1 1 736 . 20 1 1 A 66 66 LYS CB C 72 36.099 35.902 0.197 1 1 739 . 20 1 1 A 66 66 LYS N N 72 113.415 113.957 -0.542 1 1 740 . 20 1 1 A 67 67 VAL H H 73 8.679 8.395 0.284 1 1 741 . 20 1 1 A 67 67 VAL HA H 73 4.189 4.786 -0.597 1 1 749 . 20 1 1 A 67 67 VAL C C 73 176.630 174.380 2.250 1 1 750 . 20 1 1 A 67 67 VAL CA C 73 62.135 59.965 2.170 1 1 751 . 20 1 1 A 67 67 VAL CB C 73 32.001 33.289 -1.288 1 1 753 . 20 1 1 A 67 67 VAL N N 73 122.098 115.721 6.377 1 1 754 . 20 1 1 A 68 68 SER H H 74 9.497 9.408 0.089 1 1 755 . 20 1 1 A 68 68 SER HA H 74 4.507 4.941 -0.434 1 1 758 . 20 1 1 A 68 68 SER C C 74 172.249 173.455 -1.206 1 1 759 . 20 1 1 A 68 68 SER CA C 74 58.323 57.311 1.012 1 1 760 . 20 1 1 A 68 68 SER CB C 74 64.028 65.516 -1.488 1 1 761 . 20 1 1 A 68 68 SER N N 74 127.048 120.404 6.644 1 1 762 . 20 1 1 A 69 69 ARG H H 75 7.848 8.352 -0.504 1 1 763 . 20 1 1 A 69 69 ARG HA H 75 5.031 4.799 0.232 1 1 770 . 20 1 1 A 69 69 ARG C C 75 173.300 175.343 -2.043 1 1 771 . 20 1 1 A 69 69 ARG CA C 75 55.337 55.810 -0.473 1 1 772 . 20 1 1 A 69 69 ARG CB C 75 31.871 31.261 0.610 1 1 775 . 20 1 1 A 69 69 ARG N N 75 122.621 122.893 -0.272 1 1 776 . 20 1 1 A 70 70 PHE H H 76 9.246 8.796 0.450 1 1 777 . 20 1 1 A 70 70 PHE HA H 76 4.808 4.948 -0.140 1 1 784 . 20 1 1 A 70 70 PHE C C 76 175.788 174.480 1.308 1 1 785 . 20 1 1 A 70 70 PHE CA C 76 55.245 56.623 -1.378 1 1 786 . 20 1 1 A 70 70 PHE CB C 76 43.645 43.095 0.550 1 1 787 . 20 1 1 A 70 70 PHE N N 76 118.087 119.286 -1.199 1 1 788 . 20 1 1 A 71 71 ASP H H 77 9.144 9.020 0.124 1 1 789 . 20 1 1 A 71 71 ASP HA H 77 5.360 5.360 0.000 1 1 792 . 20 1 1 A 71 71 ASP C C 77 176.477 175.628 0.849 1 1 793 . 20 1 1 A 71 71 ASP CA C 77 55.131 53.731 1.400 1 1 794 . 20 1 1 A 71 71 ASP CB C 77 41.301 42.822 -1.521 1 1 795 . 20 1 1 A 71 71 ASP N N 77 123.565 122.146 1.419 1 1 796 . 20 1 1 A 72 72 PHE H H 78 9.094 9.019 0.075 1 1 797 . 20 1 1 A 72 72 PHE HA H 78 6.431 5.263 1.168 1 1 805 . 20 1 1 A 72 72 PHE C C 78 174.014 173.398 0.616 1 1 806 . 20 1 1 A 72 72 PHE CA C 78 54.934 57.035 -2.101 1 1 807 . 20 1 1 A 72 72 PHE CB C 78 42.491 42.549 -0.058 1 1 808 . 20 1 1 A 72 72 PHE N N 78 119.663 122.960 -3.297 1 1 809 . 20 1 1 A 73 73 ILE H H 79 8.623 8.642 -0.019 1 1 810 . 20 1 1 A 73 73 ILE HA H 79 4.334 4.888 -0.554 1 1 820 . 20 1 1 A 73 73 ILE C C 79 173.961 174.328 -0.367 1 1 821 . 20 1 1 A 73 73 ILE CA C 79 61.222 60.649 0.573 1 1 822 . 20 1 1 A 73 73 ILE CB C 79 41.918 40.789 1.129 1 1 826 . 20 1 1 A 73 73 ILE N N 79 119.750 126.168 -6.418 1 1 827 . 20 1 1 A 74 74 ARG H H 80 9.052 9.558 -0.506 1 1 828 . 20 1 1 A 74 74 ARG HA H 80 5.311 4.842 0.469 1 1 835 . 20 1 1 A 74 74 ARG C C 80 174.870 174.914 -0.044 1 1 836 . 20 1 1 A 74 74 ARG CA C 80 54.449 54.631 -0.182 1 1 837 . 20 1 1 A 74 74 ARG CB C 80 33.740 32.165 1.575 1 1 840 . 20 1 1 A 74 74 ARG N N 80 128.407 129.770 -1.363 1 1 841 . 20 1 1 A 75 75 GLN H H 81 9.304 9.069 0.235 1 1 842 . 20 1 1 A 75 75 GLN HA H 81 5.562 5.387 0.175 1 1 849 . 20 1 1 A 75 75 GLN C C 81 173.678 173.705 -0.027 1 1 850 . 20 1 1 A 75 75 GLN CA C 81 53.745 53.535 0.210 1 1 851 . 20 1 1 A 75 75 GLN CB C 81 34.013 33.232 0.781 1 1 853 . 20 1 1 A 75 75 GLN N N 81 125.481 122.617 2.864 1 1 855 . 20 1 1 A 76 76 ILE H H 82 8.592 8.703 -0.111 1 1 856 . 20 1 1 A 76 76 ILE HA H 82 4.576 4.710 -0.134 1 1 866 . 20 1 1 A 76 76 ILE C C 82 172.511 173.971 -1.460 1 1 867 . 20 1 1 A 76 76 ILE CA C 82 59.622 59.250 0.372 1 1 868 . 20 1 1 A 76 76 ILE CB C 82 42.248 41.341 0.907 1 1 872 . 20 1 1 A 76 76 ILE N N 82 115.536 121.411 -5.875 1 1 873 . 20 1 1 A 77 77 GLU H H 83 8.433 8.545 -0.112 1 1 874 . 20 1 1 A 77 77 GLU HA H 83 4.936 5.098 -0.162 1 1 879 . 20 1 1 A 77 77 GLU C C 83 175.614 175.697 -0.083 1 1 880 . 20 1 1 A 77 77 GLU CA C 83 54.812 55.331 -0.519 1 1 881 . 20 1 1 A 77 77 GLU CB C 83 30.465 31.312 -0.847 1 1 883 . 20 1 1 A 77 77 GLU N N 83 124.858 124.965 -0.107 1 1 884 . 20 1 1 A 78 78 VAL H H 84 8.879 9.012 -0.133 1 1 885 . 20 1 1 A 78 78 VAL HA H 84 4.076 4.512 -0.436 1 1 893 . 20 1 1 A 78 78 VAL C C 84 175.694 175.734 -0.040 1 1 894 . 20 1 1 A 78 78 VAL CA C 84 61.382 61.103 0.279 1 1 895 . 20 1 1 A 78 78 VAL CB C 84 34.014 34.051 -0.037 1 1 897 . 20 1 1 A 78 78 VAL N N 84 126.973 124.612 2.361 1 1 898 . 20 1 1 A 79 79 ASP H H 85 9.329 9.510 -0.181 1 1 899 . 20 1 1 A 79 79 ASP HA H 85 4.156 4.264 -0.108 1 1 902 . 20 1 1 A 79 79 ASP C C 85 175.774 175.692 0.082 1 1 903 . 20 1 1 A 79 79 ASP CA C 85 55.125 55.170 -0.045 1 1 904 . 20 1 1 A 79 79 ASP CB C 85 38.926 39.476 -0.550 1 1 905 . 20 1 1 A 79 79 ASP N N 85 129.387 127.681 1.706 1 1 906 . 20 1 1 A 80 80 GLY H H 86 8.575 8.514 0.061 1 1 907 . 20 1 1 A 80 80 GLY HA2 H 86 3.992 3.820 0.172 1 1 908 . 20 1 1 A 80 80 GLY HA3 H 86 3.507 3.820 -0.313 1 1 909 . 20 1 1 A 80 80 GLY C C 86 173.366 173.733 -0.367 1 1 910 . 20 1 1 A 80 80 GLY CA C 86 44.759 45.479 -0.720 1 1 911 . 20 1 1 A 80 80 GLY N N 86 103.293 103.738 -0.445 1 1 912 . 20 1 1 A 81 81 GLN H H 87 7.751 8.245 -0.494 1 1 913 . 20 1 1 A 81 81 GLN HA H 87 4.482 4.870 -0.388 1 1 918 . 20 1 1 A 81 81 GLN C C 87 173.874 175.055 -1.181 1 1 919 . 20 1 1 A 81 81 GLN CA C 87 53.328 54.048 -0.720 1 1 920 . 20 1 1 A 81 81 GLN CB C 87 30.670 31.453 -0.783 1 1 922 . 20 1 1 A 81 81 GLN N N 87 119.688 119.420 0.268 1 1 923 . 20 1 1 A 82 82 LEU H H 88 8.418 8.688 -0.270 1 1 924 . 20 1 1 A 82 82 LEU HA H 88 4.630 4.978 -0.348 1 1 934 . 20 1 1 A 82 82 LEU C C 88 176.289 175.710 0.579 1 1 935 . 20 1 1 A 82 82 LEU CA C 88 53.834 53.429 0.405 1 1 936 . 20 1 1 A 82 82 LEU CB C 88 41.737 43.308 -1.571 1 1 940 . 20 1 1 A 82 82 LEU N N 88 123.523 119.917 3.606 1 1 941 . 20 1 1 A 83 83 ILE H H 89 9.146 8.915 0.231 1 1 942 . 20 1 1 A 83 83 ILE HA H 89 4.249 4.945 -0.696 1 1 952 . 20 1 1 A 83 83 ILE C C 89 175.698 174.290 1.408 1 1 953 . 20 1 1 A 83 83 ILE CA C 89 59.363 59.879 -0.516 1 1 954 . 20 1 1 A 83 83 ILE CB C 89 39.633 42.477 -2.844 1 1 958 . 20 1 1 A 83 83 ILE N N 89 127.151 123.462 3.689 1 1 959 . 20 1 1 A 84 84 THR H H 90 8.656 8.890 -0.234 1 1 960 . 20 1 1 A 84 84 THR HA H 90 4.203 4.678 -0.475 1 1 965 . 20 1 1 A 84 84 THR C C 90 172.890 175.117 -2.227 1 1 966 . 20 1 1 A 84 84 THR CA C 90 62.641 60.473 2.168 1 1 967 . 20 1 1 A 84 84 THR CB C 90 68.634 69.550 -0.916 1 1 969 . 20 1 1 A 84 84 THR N N 90 123.099 121.128 1.971 1 1 970 . 20 1 1 A 85 85 LEU H H 91 8.967 9.058 -0.091 1 1 971 . 20 1 1 A 85 85 LEU HA H 91 4.256 4.360 -0.104 1 1 980 . 20 1 1 A 85 85 LEU C C 91 177.371 176.035 1.336 1 1 981 . 20 1 1 A 85 85 LEU CA C 91 55.527 56.553 -1.026 1 1 982 . 20 1 1 A 85 85 LEU CB C 91 44.315 43.188 1.127 1 1 984 . 20 1 1 A 85 85 LEU N N 91 125.333 130.746 -5.413 1 1 985 . 20 1 1 A 86 86 GLU H H 92 7.503 7.389 0.114 1 1 986 . 20 1 1 A 86 86 GLU HA H 92 5.026 4.818 0.208 1 1 991 . 20 1 1 A 86 86 GLU C C 92 172.723 174.282 -1.559 1 1 992 . 20 1 1 A 86 86 GLU CA C 92 54.670 56.265 -1.595 1 1 993 . 20 1 1 A 86 86 GLU CB C 92 33.717 33.518 0.199 1 1 995 . 20 1 1 A 86 86 GLU N N 92 116.655 118.712 -2.057 1 1 996 . 20 1 1 A 87 87 SER H H 93 8.954 8.634 0.320 1 1 997 . 20 1 1 A 87 87 SER HA H 93 4.245 5.804 -1.559 1 1 1000 . 20 1 1 A 87 87 SER C C 93 172.763 173.810 -1.047 1 1 1001 . 20 1 1 A 87 87 SER CA C 93 57.328 57.359 -0.031 1 1 1002 . 20 1 1 A 87 87 SER CB C 93 65.493 66.462 -0.969 1 1 1003 . 20 1 1 A 87 87 SER N N 93 117.941 121.565 -3.624 1 1 1004 . 20 1 1 A 88 88 GLY H H 94 6.932 8.627 -1.695 1 1 1005 . 20 1 1 A 88 88 GLY HA2 H 94 3.694 4.317 -0.623 1 1 1006 . 20 1 1 A 88 88 GLY HA3 H 94 3.694 4.321 -0.627 1 1 1007 . 20 1 1 A 88 88 GLY C C 94 171.117 171.564 -0.447 1 1 1008 . 20 1 1 A 88 88 GLY CA C 94 46.575 46.252 0.323 1 1 1009 . 20 1 1 A 88 88 GLY N N 94 108.625 110.678 -2.053 1 1 1010 . 20 1 1 A 89 89 GLU H H 95 9.669 8.871 0.798 1 1 1011 . 20 1 1 A 89 89 GLU HA H 95 5.642 5.294 0.348 1 1 1016 . 20 1 1 A 89 89 GLU C C 95 173.226 175.098 -1.872 1 1 1017 . 20 1 1 A 89 89 GLU CA C 95 54.786 55.373 -0.587 1 1 1018 . 20 1 1 A 89 89 GLU CB C 95 34.334 32.002 2.332 1 1 1020 . 20 1 1 A 89 89 GLU N N 95 128.231 120.946 7.285 1 1 1021 . 20 1 1 A 90 90 PHE H H 96 10.365 9.091 1.274 1 1 1022 . 20 1 1 A 90 90 PHE HA H 96 5.048 4.460 0.588 1 1 1029 . 20 1 1 A 90 90 PHE C C 96 173.039 173.995 -0.956 1 1 1030 . 20 1 1 A 90 90 PHE CA C 96 54.616 58.434 -3.818 1 1 1031 . 20 1 1 A 90 90 PHE CB C 96 42.090 40.200 1.890 1 1 1032 . 20 1 1 A 90 90 PHE N N 96 131.583 126.304 5.279 1 1 1033 . 20 1 1 A 91 91 GLN H H 97 8.685 8.608 0.077 1 1 1034 . 20 1 1 A 91 91 GLN HA H 97 4.959 5.020 -0.061 1 1 1041 . 20 1 1 A 91 91 GLN C C 97 174.151 174.709 -0.558 1 1 1042 . 20 1 1 A 91 91 GLN CA C 97 53.174 54.351 -1.177 1 1 1043 . 20 1 1 A 91 91 GLN CB C 97 28.812 31.330 -2.518 1 1 1045 . 20 1 1 A 91 91 GLN N N 97 126.465 125.468 0.997 1 1 1047 . 20 1 1 A 92 92 VAL H H 98 8.675 9.183 -0.508 1 1 1048 . 20 1 1 A 92 92 VAL HA H 98 4.569 4.452 0.117 1 1 1056 . 20 1 1 A 92 92 VAL C C 98 173.802 174.155 -0.353 1 1 1057 . 20 1 1 A 92 92 VAL CA C 98 59.715 61.475 -1.760 1 1 1058 . 20 1 1 A 92 92 VAL CB C 98 35.074 33.890 1.184 1 1 1061 . 20 1 1 A 92 92 VAL N N 98 118.841 124.290 -5.449 1 1 1062 . 20 1 1 A 93 93 TYR H H 99 8.896 9.209 -0.313 1 1 1063 . 20 1 1 A 93 93 TYR HA H 99 4.940 4.759 0.181 1 1 1070 . 20 1 1 A 93 93 TYR C C 99 173.330 175.107 -1.777 1 1 1071 . 20 1 1 A 93 93 TYR CA C 99 56.948 57.958 -1.010 1 1 1072 . 20 1 1 A 93 93 TYR CB C 99 40.780 39.931 0.849 1 1 1073 . 20 1 1 A 93 93 TYR N N 99 127.563 128.494 -0.931 1 1 1074 . 20 1 1 A 94 94 LYS H H 100 5.813 9.280 -3.467 1 1 1075 . 20 1 1 A 94 94 LYS HA H 100 4.248 4.981 -0.733 1 1 1082 . 20 1 1 A 94 94 LYS CA C 100 55.660 54.993 0.667 1 1 1083 . 20 1 1 A 94 94 LYS CB C 100 35.870 34.385 1.485 1 1 1084 . 20 1 1 A 94 94 LYS N N 100 128.378 125.150 3.228 1 1 1085 . 20 1 1 A 95 95 GLN H H 101 8.438 8.980 -0.542 1 1 1086 . 20 1 1 A 95 95 GLN HA H 101 5.028 4.789 0.239 1 1 1091 . 20 1 1 A 95 95 GLN C C 101 174.080 174.415 -0.335 1 1 1092 . 20 1 1 A 95 95 GLN CA C 101 54.043 53.873 0.170 1 1 1093 . 20 1 1 A 95 95 GLN CB C 101 27.209 31.238 -4.029 1 1 1095 . 20 1 1 A 95 95 GLN N N 101 125.809 126.033 -0.224 1 1 1096 . 20 1 1 A 96 96 SER H H 102 9.057 8.765 0.292 1 1 1097 . 20 1 1 A 96 96 SER HA H 102 3.041 4.597 -1.556 1 1 1100 . 20 1 1 A 96 96 SER CA C 102 62.985 58.427 4.558 1 1 1101 . 20 1 1 A 96 96 SER CB C 102 63.242 63.381 -0.139 1 1 1102 . 20 1 1 A 96 96 SER N N 102 117.650 116.450 1.200 1 1 1103 . 20 1 1 A 97 97 HIS H H 103 10.115 8.241 1.874 1 1 1104 . 20 1 1 A 97 97 HIS HA H 103 4.406 3.995 0.411 1 1 1109 . 20 1 1 A 97 97 HIS CA C 103 53.809 59.123 -5.314 1 1 1110 . 20 1 1 A 97 97 HIS CB C 103 30.329 27.509 2.820 1 1 1111 . 20 1 1 A 97 97 HIS N N 103 118.385 120.856 -2.471 1 1 1112 . 20 1 1 A 98 98 SER H H 104 7.241 7.857 -0.616 1 1 1113 . 20 1 1 A 98 98 SER HA H 104 4.406 4.665 -0.259 1 1 1116 . 20 1 1 A 98 98 SER CA C 104 56.712 56.579 0.133 1 1 1117 . 20 1 1 A 98 98 SER CB C 104 65.461 65.255 0.206 1 1 1118 . 20 1 1 A 98 98 SER N N 104 112.298 115.833 -3.535 1 1 1119 . 20 1 1 A 99 99 ALA H H 105 8.418 9.125 -0.707 1 1 1120 . 20 1 1 A 99 99 ALA HA H 105 4.753 5.246 -0.493 1 1 1124 . 20 1 1 A 99 99 ALA C C 105 173.181 176.023 -2.842 1 1 1125 . 20 1 1 A 99 99 ALA CA C 105 51.363 51.459 -0.096 1 1 1126 . 20 1 1 A 99 99 ALA CB C 105 22.271 22.609 -0.338 1 1 1127 . 20 1 1 A 99 99 ALA N N 105 116.790 126.467 -9.677 1 1 1128 . 20 1 1 A 100 100 LEU H H 106 8.376 8.821 -0.445 1 1 1129 . 20 1 1 A 100 100 LEU HA H 106 5.549 5.367 0.182 1 1 1139 . 20 1 1 A 100 100 LEU C C 106 175.338 174.848 0.490 1 1 1140 . 20 1 1 A 100 100 LEU CA C 106 53.753 53.036 0.717 1 1 1141 . 20 1 1 A 100 100 LEU CB C 106 46.393 46.391 0.002 1 1 1145 . 20 1 1 A 100 100 LEU N N 106 115.214 118.665 -3.451 1 1 1146 . 20 1 1 A 101 101 THR H H 107 8.685 8.936 -0.251 1 1 1147 . 20 1 1 A 101 101 THR HA H 107 5.287 5.158 0.129 1 1 1152 . 20 1 1 A 101 101 THR C C 107 172.493 172.819 -0.326 1 1 1153 . 20 1 1 A 101 101 THR CA C 107 57.069 59.545 -2.476 1 1 1154 . 20 1 1 A 101 101 THR CB C 107 71.308 71.766 -0.458 1 1 1156 . 20 1 1 A 101 101 THR N N 107 109.441 115.659 -6.218 1 1 1157 . 20 1 1 A 102 102 ALA H H 108 8.459 8.552 -0.093 1 1 1158 . 20 1 1 A 102 102 ALA HA H 108 4.366 5.224 -0.858 1 1 1162 . 20 1 1 A 102 102 ALA C C 108 173.439 175.833 -2.394 1 1 1163 . 20 1 1 A 102 102 ALA CA C 108 51.015 50.395 0.620 1 1 1164 . 20 1 1 A 102 102 ALA CB C 108 23.424 23.760 -0.336 1 1 1165 . 20 1 1 A 102 102 ALA N N 108 120.716 127.258 -6.542 1 1 1166 . 20 1 1 A 103 103 PHE H H 109 8.510 8.618 -0.108 1 1 1167 . 20 1 1 A 103 103 PHE HA H 109 4.715 5.153 -0.438 1 1 1175 . 20 1 1 A 103 103 PHE C C 109 174.173 174.378 -0.205 1 1 1176 . 20 1 1 A 103 103 PHE CA C 109 56.640 55.590 1.050 1 1 1177 . 20 1 1 A 103 103 PHE CB C 109 41.926 41.885 0.041 1 1 1178 . 20 1 1 A 103 103 PHE N N 109 115.041 117.560 -2.519 1 1 1179 . 20 1 1 A 104 104 GLN H H 110 9.832 8.574 1.258 1 1 1180 . 20 1 1 A 104 104 GLN HA H 110 5.226 4.911 0.315 1 1 1187 . 20 1 1 A 104 104 GLN C C 110 175.186 173.877 1.309 1 1 1188 . 20 1 1 A 104 104 GLN CA C 110 53.213 55.037 -1.824 1 1 1189 . 20 1 1 A 104 104 GLN CB C 110 29.161 31.299 -2.138 1 1 1191 . 20 1 1 A 104 104 GLN N N 110 124.526 121.124 3.402 1 1 1193 . 20 1 1 A 105 105 THR H H 111 9.566 9.066 0.500 1 1 1194 . 20 1 1 A 105 105 THR HA H 111 4.186 4.897 -0.711 1 1 1199 . 20 1 1 A 105 105 THR C C 111 174.538 173.643 0.895 1 1 1200 . 20 1 1 A 105 105 THR CA C 111 66.408 60.866 5.542 1 1 1201 . 20 1 1 A 105 105 THR CB C 111 69.385 70.836 -1.451 1 1 1203 . 20 1 1 A 105 105 THR N N 111 126.760 121.503 5.257 1 1 1204 . 20 1 1 A 106 106 GLU H H 112 9.303 9.145 0.158 1 1 1205 . 20 1 1 A 106 106 GLU HA H 112 4.811 4.801 0.010 1 1 1210 . 20 1 1 A 106 106 GLU C C 112 177.397 176.374 1.023 1 1 1211 . 20 1 1 A 106 106 GLU CA C 112 56.227 56.835 -0.608 1 1 1212 . 20 1 1 A 106 106 GLU CB C 112 31.283 32.501 -1.218 1 1 1214 . 20 1 1 A 106 106 GLU N N 112 121.685 124.718 -3.033 1 1 1215 . 20 1 1 A 107 107 GLN H H 113 7.954 8.085 -0.131 1 1 1216 . 20 1 1 A 107 107 GLN HA H 113 5.233 4.986 0.247 1 1 1221 . 20 1 1 A 107 107 GLN C C 113 173.999 174.432 -0.433 1 1 1222 . 20 1 1 A 107 107 GLN CA C 113 53.837 54.332 -0.495 1 1 1223 . 20 1 1 A 107 107 GLN CB C 113 32.543 31.593 0.950 1 1 1225 . 20 1 1 A 107 107 GLN N N 113 117.612 115.112 2.500 1 1 1226 . 20 1 1 A 108 108 ILE H H 114 8.969 8.658 0.311 1 1 1227 . 20 1 1 A 108 108 ILE HA H 114 4.907 4.847 0.060 1 1 1237 . 20 1 1 A 108 108 ILE C C 114 174.089 175.271 -1.182 1 1 1238 . 20 1 1 A 108 108 ILE CA C 114 58.954 58.830 0.124 1 1 1239 . 20 1 1 A 108 108 ILE CB C 114 42.799 41.925 0.874 1 1 1243 . 20 1 1 A 108 108 ILE N N 114 115.049 120.378 -5.329 1 1 1244 . 20 1 1 A 109 109 GLN H H 115 7.421 8.318 -0.897 1 1 1245 . 20 1 1 A 109 109 GLN HA H 115 4.405 4.526 -0.121 1 1 1252 . 20 1 1 A 109 109 GLN C C 115 175.654 174.604 1.050 1 1 1253 . 20 1 1 A 109 109 GLN CA C 115 56.086 54.112 1.974 1 1 1254 . 20 1 1 A 109 109 GLN CB C 115 28.483 29.332 -0.849 1 1 1256 . 20 1 1 A 109 109 GLN N N 115 121.959 121.231 0.728 1 1 1258 . 20 1 1 A 110 110 ASP H H 116 8.569 8.701 -0.132 1 1 1259 . 20 1 1 A 110 110 ASP HA H 116 4.377 5.204 -0.827 1 1 1262 . 20 1 1 A 110 110 ASP C C 116 176.662 175.605 1.057 1 1 1263 . 20 1 1 A 110 110 ASP CA C 116 53.511 52.666 0.845 1 1 1264 . 20 1 1 A 110 110 ASP CB C 116 41.187 43.179 -1.992 1 1 1265 . 20 1 1 A 110 110 ASP N N 116 125.621 121.334 4.287 1 1 1266 . 20 1 1 A 111 111 SER H H 117 8.445 8.962 -0.517 1 1 1267 . 20 1 1 A 111 111 SER HA H 117 4.024 4.532 -0.508 1 1 1270 . 20 1 1 A 111 111 SER C C 117 174.783 175.363 -0.580 1 1 1271 . 20 1 1 A 111 111 SER CA C 117 60.782 58.047 2.735 1 1 1272 . 20 1 1 A 111 111 SER CB C 117 62.560 61.588 0.972 1 1 1273 . 20 1 1 A 111 111 SER N N 117 120.732 121.532 -0.800 1 1 1274 . 20 1 1 A 112 112 GLU H H 118 8.246 8.355 -0.109 1 1 1275 . 20 1 1 A 112 112 GLU HA H 118 4.044 4.536 -0.492 1 1 1280 . 20 1 1 A 112 112 GLU C C 118 175.899 176.893 -0.994 1 1 1281 . 20 1 1 A 112 112 GLU CA C 118 56.016 57.483 -1.467 1 1 1282 . 20 1 1 A 112 112 GLU CB C 118 29.853 32.614 -2.761 1 1 1284 . 20 1 1 A 112 112 GLU N N 118 119.367 122.432 -3.065 1 1 1285 . 20 1 1 A 113 113 HIS H H 119 7.418 7.588 -0.170 1 1 1286 . 20 1 1 A 113 113 HIS HA H 119 4.607 4.677 -0.070 1 1 1291 . 20 1 1 A 113 113 HIS C C 119 173.527 175.074 -1.547 1 1 1292 . 20 1 1 A 113 113 HIS CA C 119 54.515 56.579 -2.064 1 1 1293 . 20 1 1 A 113 113 HIS CB C 119 28.667 30.241 -1.574 1 1 1294 . 20 1 1 A 113 113 HIS N N 119 117.287 121.005 -3.718 1 1 1295 . 20 1 1 A 114 114 SER H H 120 8.398 8.266 0.132 1 1 1296 . 20 1 1 A 114 114 SER HA H 120 4.183 4.360 -0.177 1 1 1299 . 20 1 1 A 114 114 SER C C 120 175.690 174.723 0.967 1 1 1300 . 20 1 1 A 114 114 SER CA C 120 59.149 60.343 -1.194 1 1 1301 . 20 1 1 A 114 114 SER CB C 120 62.820 61.446 1.374 1 1 1302 . 20 1 1 A 114 114 SER N N 120 116.771 113.244 3.527 1 1 1303 . 20 1 1 A 115 115 GLY H H 121 8.733 8.320 0.413 1 1 1304 . 20 1 1 A 115 115 GLY HA2 H 121 4.052 3.994 0.058 1 1 1305 . 20 1 1 A 115 115 GLY HA3 H 121 3.724 4.017 -0.293 1 1 1306 . 20 1 1 A 115 115 GLY C C 121 173.540 173.920 -0.380 1 1 1307 . 20 1 1 A 115 115 GLY CA C 121 44.692 45.229 -0.537 1 1 1308 . 20 1 1 A 115 115 GLY N N 121 112.197 107.893 4.304 1 1 1309 . 20 1 1 A 116 116 LYS H H 122 7.796 7.658 0.138 1 1 1310 . 20 1 1 A 116 116 LYS HA H 122 4.465 4.547 -0.082 1 1 1317 . 20 1 1 A 116 116 LYS C C 122 175.090 175.406 -0.316 1 1 1318 . 20 1 1 A 116 116 LYS CA C 122 55.122 55.619 -0.497 1 1 1319 . 20 1 1 A 116 116 LYS CB C 122 33.861 34.311 -0.450 1 1 1322 . 20 1 1 A 116 116 LYS N N 122 120.212 119.687 0.525 1 1 1323 . 20 1 1 A 117 117 MET H H 123 8.348 8.588 -0.240 1 1 1324 . 20 1 1 A 117 117 MET HA H 123 5.082 5.353 -0.271 1 1 1332 . 20 1 1 A 117 117 MET C C 123 176.210 174.646 1.564 1 1 1333 . 20 1 1 A 117 117 MET CA C 123 52.928 53.830 -0.902 1 1 1334 . 20 1 1 A 117 117 MET CB C 123 33.841 35.470 -1.629 1 1 1337 . 20 1 1 A 117 117 MET N N 123 119.755 117.304 2.451 1 1 1338 . 20 1 1 A 118 118 VAL H H 124 9.242 8.861 0.381 1 1 1339 . 20 1 1 A 118 118 VAL HA H 124 4.469 4.995 -0.526 1 1 1347 . 20 1 1 A 118 118 VAL C C 124 173.967 173.993 -0.026 1 1 1348 . 20 1 1 A 118 118 VAL CA C 124 59.056 59.265 -0.209 1 1 1349 . 20 1 1 A 118 118 VAL CB C 124 34.376 36.220 -1.844 1 1 1351 . 20 1 1 A 118 118 VAL N N 124 118.546 116.150 2.396 1 1 1352 . 20 1 1 A 119 119 ALA H H 125 8.327 8.995 -0.668 1 1 1353 . 20 1 1 A 119 119 ALA HA H 125 4.624 5.517 -0.893 1 1 1357 . 20 1 1 A 119 119 ALA C C 125 177.165 176.079 1.086 1 1 1358 . 20 1 1 A 119 119 ALA CA C 125 52.043 50.590 1.453 1 1 1359 . 20 1 1 A 119 119 ALA CB C 125 18.232 22.052 -3.820 1 1 1360 . 20 1 1 A 119 119 ALA N N 125 125.947 123.996 1.951 1 1 1361 . 20 1 1 A 120 120 LYS H H 126 7.604 8.467 -0.863 1 1 1362 . 20 1 1 A 120 120 LYS HA H 126 4.046 4.906 -0.860 1 1 1371 . 20 1 1 A 120 120 LYS C C 126 172.631 175.790 -3.159 1 1 1372 . 20 1 1 A 120 120 LYS CA C 126 56.023 54.593 1.430 1 1 1373 . 20 1 1 A 120 120 LYS CB C 126 34.482 35.405 -0.923 1 1 1377 . 20 1 1 A 120 120 LYS N N 126 126.149 122.526 3.623 1 1 1378 . 20 1 1 A 121 121 ARG H H 127 8.308 8.532 -0.224 1 1 1379 . 20 1 1 A 121 121 ARG HA H 127 4.901 4.499 0.402 1 1 1384 . 20 1 1 A 121 121 ARG C C 127 176.253 175.087 1.166 1 1 1385 . 20 1 1 A 121 121 ARG CA C 127 55.564 55.495 0.069 1 1 1386 . 20 1 1 A 121 121 ARG CB C 127 28.273 28.795 -0.522 1 1 1388 . 20 1 1 A 121 121 ARG N N 127 122.760 124.265 -1.505 1 1 1389 . 20 1 1 A 122 122 GLN H H 128 7.529 8.682 -1.153 1 1 1390 . 20 1 1 A 122 122 GLN HA H 128 4.541 4.811 -0.270 1 1 1397 . 20 1 1 A 122 122 GLN C C 128 172.163 175.202 -3.039 1 1 1398 . 20 1 1 A 122 122 GLN CA C 128 54.218 54.964 -0.746 1 1 1399 . 20 1 1 A 122 122 GLN CB C 128 32.064 29.884 2.180 1 1 1401 . 20 1 1 A 122 122 GLN N N 128 121.022 124.337 -3.315 1 1 1403 . 20 1 1 A 123 123 PHE H H 129 8.620 9.158 -0.538 1 1 1404 . 20 1 1 A 123 123 PHE HA H 129 6.040 5.260 0.780 1 1 1411 . 20 1 1 A 123 123 PHE C C 129 174.530 174.394 0.136 1 1 1412 . 20 1 1 A 123 123 PHE CA C 129 56.026 57.986 -1.960 1 1 1413 . 20 1 1 A 123 123 PHE CB C 129 42.143 41.088 1.055 1 1 1414 . 20 1 1 A 123 123 PHE N N 129 125.540 128.722 -3.182 1 1 1415 . 20 1 1 A 124 124 ARG H H 130 8.018 8.346 -0.328 1 1 1416 . 20 1 1 A 124 124 ARG HA H 130 4.366 4.853 -0.487 1 1 1423 . 20 1 1 A 124 124 ARG C C 130 172.139 174.454 -2.315 1 1 1424 . 20 1 1 A 124 124 ARG CA C 130 53.422 53.702 -0.280 1 1 1425 . 20 1 1 A 124 124 ARG CB C 130 32.310 33.831 -1.521 1 1 1428 . 20 1 1 A 124 124 ARG N N 130 125.264 126.329 -1.065 1 1 1429 . 20 1 1 A 125 125 ILE H H 131 8.462 8.136 0.326 1 1 1430 . 20 1 1 A 125 125 ILE HA H 131 3.883 4.259 -0.376 1 1 1440 . 20 1 1 A 125 125 ILE C C 131 175.487 175.334 0.153 1 1 1441 . 20 1 1 A 125 125 ILE CA C 131 58.339 61.690 -3.351 1 1 1442 . 20 1 1 A 125 125 ILE CB C 131 35.673 38.898 -3.225 1 1 1446 . 20 1 1 A 125 125 ILE N N 131 121.887 123.779 -1.892 1 1 1447 . 20 1 1 A 126 126 GLY H H 132 8.814 8.121 0.693 1 1 1448 . 20 1 1 A 126 126 GLY HA2 H 132 4.062 4.222 -0.160 1 1 1449 . 20 1 1 A 126 126 GLY HA3 H 132 4.062 4.348 -0.286 1 1 1450 . 20 1 1 A 126 126 GLY C C 132 171.583 173.033 -1.450 1 1 1451 . 20 1 1 A 126 126 GLY CA C 132 44.157 45.009 -0.852 1 1 1452 . 20 1 1 A 126 126 GLY N N 132 115.675 113.626 2.049 1 1 1453 . 20 1 1 A 127 127 ASP H H 133 7.914 8.725 -0.811 1 1 1454 . 20 1 1 A 127 127 ASP HA H 133 4.584 4.704 -0.120 1 1 1457 . 20 1 1 A 127 127 ASP C C 133 174.132 175.897 -1.765 1 1 1458 . 20 1 1 A 127 127 ASP CA C 133 54.822 55.062 -0.240 1 1 1459 . 20 1 1 A 127 127 ASP CB C 133 45.407 41.438 3.969 1 1 1460 . 20 1 1 A 127 127 ASP N N 133 123.737 121.199 2.538 1 1 1461 . 20 1 1 A 128 128 ILE H H 134 8.258 8.753 -0.495 1 1 1462 . 20 1 1 A 128 128 ILE HA H 134 4.392 4.998 -0.606 1 1 1472 . 20 1 1 A 128 128 ILE C C 134 174.799 175.009 -0.210 1 1 1473 . 20 1 1 A 128 128 ILE CA C 134 61.596 59.957 1.639 1 1 1474 . 20 1 1 A 128 128 ILE CB C 134 37.549 40.553 -3.004 1 1 1478 . 20 1 1 A 128 128 ILE N N 134 119.105 123.316 -4.211 1 1 1479 . 20 1 1 A 129 129 ALA H H 135 8.607 8.623 -0.016 1 1 1480 . 20 1 1 A 129 129 ALA HA H 135 4.757 5.319 -0.562 1 1 1484 . 20 1 1 A 129 129 ALA C C 135 173.358 175.751 -2.393 1 1 1485 . 20 1 1 A 129 129 ALA CA C 135 50.608 51.248 -0.640 1 1 1486 . 20 1 1 A 129 129 ALA CB C 135 23.348 23.856 -0.508 1 1 1487 . 20 1 1 A 129 129 ALA N N 135 129.336 128.622 0.714 1 1 1488 . 20 1 1 A 130 130 GLY H H 136 7.514 8.155 -0.641 1 1 1489 . 20 1 1 A 130 130 GLY HA2 H 136 3.551 2.824 0.727 1 1 1490 . 20 1 1 A 130 130 GLY HA3 H 136 4.422 3.792 0.630 1 1 1491 . 20 1 1 A 130 130 GLY C C 136 172.609 171.717 0.892 1 1 1492 . 20 1 1 A 130 130 GLY CA C 136 44.315 45.613 -1.298 1 1 1493 . 20 1 1 A 130 130 GLY N N 136 101.232 106.451 -5.219 1 1 1494 . 20 1 1 A 131 131 GLU H H 137 8.225 8.212 0.013 1 1 1495 . 20 1 1 A 131 131 GLU HA H 137 4.540 5.073 -0.533 1 1 1500 . 20 1 1 A 131 131 GLU C C 137 174.864 174.842 0.022 1 1 1501 . 20 1 1 A 131 131 GLU CA C 137 53.120 54.528 -1.408 1 1 1502 . 20 1 1 A 131 131 GLU CB C 137 28.254 32.289 -4.035 1 1 1504 . 20 1 1 A 131 131 GLU N N 137 121.002 117.809 3.193 1 1 1505 . 20 1 1 A 132 132 HIS H H 138 8.054 9.257 -1.203 1 1 1506 . 20 1 1 A 132 132 HIS HA H 138 4.771 5.096 -0.325 1 1 1511 . 20 1 1 A 132 132 HIS C C 138 175.411 175.121 0.290 1 1 1512 . 20 1 1 A 132 132 HIS CA C 138 57.942 55.850 2.092 1 1 1513 . 20 1 1 A 132 132 HIS CB C 138 27.710 31.015 -3.305 1 1 1514 . 20 1 1 A 132 132 HIS N N 138 124.204 123.131 1.073 1 1 1515 . 20 1 1 A 133 133 THR H H 139 9.056 8.874 0.182 1 1 1516 . 20 1 1 A 133 133 THR HA H 139 3.864 4.688 -0.824 1 1 1521 . 20 1 1 A 133 133 THR C C 139 174.178 174.730 -0.552 1 1 1522 . 20 1 1 A 133 133 THR CA C 139 63.225 61.968 1.257 1 1 1523 . 20 1 1 A 133 133 THR CB C 139 68.127 69.664 -1.537 1 1 1525 . 20 1 1 A 133 133 THR N N 139 125.345 119.641 5.704 1 1 1526 . 20 1 1 A 134 134 SER H H 140 8.834 8.739 0.095 1 1 1527 . 20 1 1 A 134 134 SER HA H 140 4.560 4.271 0.289 1 1 1530 . 20 1 1 A 134 134 SER C C 140 176.713 176.247 0.466 1 1 1531 . 20 1 1 A 134 134 SER CA C 140 57.961 60.544 -2.583 1 1 1532 . 20 1 1 A 134 134 SER CB C 140 63.030 63.245 -0.215 1 1 1533 . 20 1 1 A 134 134 SER N N 140 121.791 122.609 -0.818 1 1 1534 . 20 1 1 A 135 135 PHE H H 141 9.597 7.764 1.833 1 1 1535 . 20 1 1 A 135 135 PHE HA H 141 3.953 4.489 -0.536 1 1 1542 . 20 1 1 A 135 135 PHE C C 141 175.375 177.090 -1.715 1 1 1543 . 20 1 1 A 135 135 PHE CA C 141 61.339 59.275 2.064 1 1 1544 . 20 1 1 A 135 135 PHE CB C 141 39.394 37.983 1.411 1 1 1545 . 20 1 1 A 135 135 PHE N N 141 128.822 123.086 5.736 1 1 1546 . 20 1 1 A 136 136 ASP H H 142 8.017 8.144 -0.127 1 1 1547 . 20 1 1 A 136 136 ASP HA H 142 4.352 4.531 -0.179 1 1 1550 . 20 1 1 A 136 136 ASP C C 142 175.358 177.095 -1.737 1 1 1551 . 20 1 1 A 136 136 ASP CA C 142 55.223 56.511 -1.288 1 1 1552 . 20 1 1 A 136 136 ASP CB C 142 40.968 40.532 0.436 1 1 1553 . 20 1 1 A 136 136 ASP N N 142 113.108 120.538 -7.430 1 1 1554 . 20 1 1 A 137 137 LYS H H 143 7.340 7.379 -0.039 1 1 1555 . 20 1 1 A 137 137 LYS HA H 143 4.439 4.539 -0.100 1 1 1564 . 20 1 1 A 137 137 LYS C C 143 175.571 176.237 -0.666 1 1 1565 . 20 1 1 A 137 137 LYS CA C 143 54.096 55.480 -1.384 1 1 1566 . 20 1 1 A 137 137 LYS CB C 143 32.545 33.863 -1.318 1 1 1570 . 20 1 1 A 137 137 LYS N N 143 117.716 115.844 1.872 1 1 1571 . 20 1 1 A 138 138 LEU H H 144 6.698 7.336 -0.638 1 1 1572 . 20 1 1 A 138 138 LEU HA H 144 3.903 4.453 -0.550 1 1 1582 . 20 1 1 A 138 138 LEU C C 144 174.123 175.274 -1.151 1 1 1583 . 20 1 1 A 138 138 LEU CA C 144 52.843 52.893 -0.050 1 1 1584 . 20 1 1 A 138 138 LEU CB C 144 40.993 41.154 -0.161 1 1 1588 . 20 1 1 A 138 138 LEU N N 144 120.536 121.408 -0.872 1 1 1589 . 20 1 1 A 139 139 PRO HA H 145 4.040 4.711 -0.671 1 1 1596 . 20 1 1 A 139 139 PRO C C 145 172.700 176.076 -3.376 1 1 1597 . 20 1 1 A 139 139 PRO CA C 145 62.654 62.500 0.154 1 1 1598 . 20 1 1 A 139 139 PRO CB C 145 30.086 32.742 -2.656 1 1 1601 . 20 1 1 A 140 140 GLU H H 146 8.343 8.736 -0.393 1 1 1602 . 20 1 1 A 140 140 GLU HA H 146 3.970 4.712 -0.742 1 1 1607 . 20 1 1 A 140 140 GLU C C 146 176.009 175.551 0.458 1 1 1608 . 20 1 1 A 140 140 GLU CA C 146 56.119 55.667 0.452 1 1 1609 . 20 1 1 A 140 140 GLU CB C 146 30.086 30.534 -0.448 1 1 1611 . 20 1 1 A 140 140 GLU N N 146 119.063 121.301 -2.238 1 1 1612 . 20 1 1 A 141 141 GLY H H 147 7.241 7.667 -0.426 1 1 1613 . 20 1 1 A 141 141 GLY HA2 H 147 3.918 4.143 -0.225 1 1 1614 . 20 1 1 A 141 141 GLY HA3 H 147 3.814 4.183 -0.369 1 1 1615 . 20 1 1 A 141 141 GLY C C 147 171.657 172.910 -1.253 1 1 1616 . 20 1 1 A 141 141 GLY CA C 147 43.929 45.798 -1.869 1 1 1617 . 20 1 1 A 141 141 GLY N N 147 104.270 108.580 -4.310 1 1 1618 . 20 1 1 A 142 142 GLY H H 148 8.241 8.520 -0.279 1 1 1619 . 20 1 1 A 142 142 GLY HA2 H 148 3.710 4.126 -0.416 1 1 1620 . 20 1 1 A 142 142 GLY HA3 H 148 4.350 4.135 0.215 1 1 1621 . 20 1 1 A 142 142 GLY C C 148 171.767 173.099 -1.332 1 1 1622 . 20 1 1 A 142 142 GLY CA C 148 43.649 44.697 -1.048 1 1 1623 . 20 1 1 A 142 142 GLY N N 148 106.996 108.133 -1.137 1 1 1624 . 20 1 1 A 143 143 ARG H H 149 8.214 8.298 -0.084 1 1 1625 . 20 1 1 A 143 143 ARG HA H 149 5.376 5.535 -0.159 1 1 1632 . 20 1 1 A 143 143 ARG C C 149 174.981 174.608 0.373 1 1 1633 . 20 1 1 A 143 143 ARG CA C 149 54.235 53.932 0.303 1 1 1634 . 20 1 1 A 143 143 ARG CB C 149 32.988 34.279 -1.291 1 1 1637 . 20 1 1 A 143 143 ARG N N 149 117.762 116.849 0.913 1 1 1638 . 20 1 1 A 144 144 ALA H H 150 9.030 8.206 0.824 1 1 1639 . 20 1 1 A 144 144 ALA HA H 150 4.730 5.097 -0.367 1 1 1643 . 20 1 1 A 144 144 ALA C C 150 175.012 174.883 0.129 1 1 1644 . 20 1 1 A 144 144 ALA CA C 150 50.732 50.702 0.030 1 1 1645 . 20 1 1 A 144 144 ALA CB C 150 23.448 22.753 0.695 1 1 1646 . 20 1 1 A 144 144 ALA N N 150 126.630 121.479 5.151 1 1 1647 . 20 1 1 A 145 145 THR H H 151 8.560 8.540 0.020 1 1 1648 . 20 1 1 A 145 145 THR HA H 151 4.846 4.738 0.108 1 1 1653 . 20 1 1 A 145 145 THR C C 151 171.870 172.764 -0.894 1 1 1654 . 20 1 1 A 145 145 THR CA C 151 61.997 60.820 1.177 1 1 1655 . 20 1 1 A 145 145 THR CB C 151 69.746 70.616 -0.870 1 1 1657 . 20 1 1 A 145 145 THR N N 151 117.942 118.265 -0.323 1 1 1658 . 20 1 1 A 146 146 TYR H H 152 10.008 8.587 1.421 1 1 1659 . 20 1 1 A 146 146 TYR HA H 152 4.580 5.194 -0.614 1 1 1666 . 20 1 1 A 146 146 TYR C C 152 174.627 174.473 0.154 1 1 1667 . 20 1 1 A 146 146 TYR CA C 152 55.835 56.372 -0.537 1 1 1668 . 20 1 1 A 146 146 TYR CB C 152 40.094 43.091 -2.997 1 1 1669 . 20 1 1 A 146 146 TYR N N 152 126.097 125.736 0.361 1 1 1670 . 20 1 1 A 147 147 ARG H H 153 8.860 8.977 -0.117 1 1 1671 . 20 1 1 A 147 147 ARG HA H 153 5.404 5.381 0.023 1 1 1678 . 20 1 1 A 147 147 ARG C C 153 177.446 175.454 1.992 1 1 1679 . 20 1 1 A 147 147 ARG CA C 153 54.024 54.514 -0.490 1 1 1680 . 20 1 1 A 147 147 ARG CB C 153 33.539 33.584 -0.045 1 1 1683 . 20 1 1 A 147 147 ARG N N 153 121.042 123.797 -2.755 1 1 1684 . 20 1 1 A 148 148 GLY H H 154 8.916 8.766 0.150 1 1 1685 . 20 1 1 A 148 148 GLY HA2 H 154 4.816 4.387 0.429 1 1 1686 . 20 1 1 A 148 148 GLY HA3 H 154 4.422 4.407 0.015 1 1 1687 . 20 1 1 A 148 148 GLY C C 154 173.831 172.010 1.821 1 1 1688 . 20 1 1 A 148 148 GLY CA C 154 46.752 45.551 1.201 1 1 1689 . 20 1 1 A 148 148 GLY N N 154 114.154 112.216 1.938 1 1 1690 . 20 1 1 A 149 149 THR H H 155 9.063 8.709 0.354 1 1 1691 . 20 1 1 A 149 149 THR HA H 155 4.711 5.202 -0.491 1 1 1696 . 20 1 1 A 149 149 THR C C 155 170.370 173.291 -2.921 1 1 1697 . 20 1 1 A 149 149 THR CA C 155 62.316 61.373 0.943 1 1 1698 . 20 1 1 A 149 149 THR CB C 155 72.596 71.243 1.353 1 1 1700 . 20 1 1 A 149 149 THR N N 155 126.410 115.668 10.742 1 1 1701 . 20 1 1 A 150 150 ALA H H 156 7.091 8.760 -1.669 1 1 1702 . 20 1 1 A 150 150 ALA HA H 156 5.289 5.317 -0.028 1 1 1706 . 20 1 1 A 150 150 ALA C C 156 173.965 176.604 -2.639 1 1 1707 . 20 1 1 A 150 150 ALA CA C 156 48.843 50.060 -1.217 1 1 1708 . 20 1 1 A 150 150 ALA CB C 156 22.573 20.854 1.719 1 1 1709 . 20 1 1 A 150 150 ALA N N 156 127.540 128.578 -1.038 1 1 1710 . 20 1 1 A 151 151 PHE H H 157 8.536 8.860 -0.324 1 1 1711 . 20 1 1 A 151 151 PHE HA H 157 5.442 5.580 -0.138 1 1 1718 . 20 1 1 A 151 151 PHE C C 157 171.891 173.837 -1.946 1 1 1719 . 20 1 1 A 151 151 PHE CA C 157 53.282 55.276 -1.994 1 1 1720 . 20 1 1 A 151 151 PHE CB C 157 41.020 41.913 -0.893 1 1 1721 . 20 1 1 A 151 151 PHE N N 157 117.013 118.575 -1.562 1 1 1722 . 20 1 1 A 152 152 GLY H H 158 8.548 8.313 0.235 1 1 1723 . 20 1 1 A 152 152 GLY HA2 H 158 4.003 2.265 1.738 1 1 1724 . 20 1 1 A 152 152 GLY HA3 H 158 3.124 3.751 -0.627 1 1 1725 . 20 1 1 A 152 152 GLY C C 158 173.148 171.531 1.617 1 1 1726 . 20 1 1 A 152 152 GLY CA C 158 42.630 44.665 -2.035 1 1 1727 . 20 1 1 A 152 152 GLY N N 158 108.356 107.673 0.683 1 1 1728 . 20 1 1 A 153 153 SER H H 159 7.610 8.137 -0.527 1 1 1729 . 20 1 1 A 153 153 SER HA H 159 3.421 4.443 -1.022 1 1 1732 . 20 1 1 A 153 153 SER C C 159 176.057 174.176 1.881 1 1 1733 . 20 1 1 A 153 153 SER CA C 159 58.787 57.233 1.554 1 1 1734 . 20 1 1 A 153 153 SER CB C 159 61.886 61.579 0.307 1 1 1735 . 20 1 1 A 153 153 SER N N 159 115.173 114.258 0.915 1 1 1736 . 20 1 1 A 154 154 ASP H H 160 9.894 7.977 1.917 1 1 1737 . 20 1 1 A 154 154 ASP HA H 160 4.168 4.841 -0.673 1 1 1740 . 20 1 1 A 154 154 ASP C C 160 175.191 176.195 -1.004 1 1 1741 . 20 1 1 A 154 154 ASP CA C 160 55.398 54.928 0.470 1 1 1742 . 20 1 1 A 154 154 ASP CB C 160 39.212 42.217 -3.005 1 1 1743 . 20 1 1 A 154 154 ASP N N 160 124.828 122.566 2.262 1 1 1744 . 20 1 1 A 155 155 ASP H H 161 7.520 8.179 -0.659 1 1 1745 . 20 1 1 A 155 155 ASP HA H 161 4.568 4.957 -0.389 1 1 1748 . 20 1 1 A 155 155 ASP C C 161 172.658 176.026 -3.368 1 1 1749 . 20 1 1 A 155 155 ASP CA C 161 54.342 55.668 -1.326 1 1 1750 . 20 1 1 A 155 155 ASP CB C 161 40.619 42.850 -2.231 1 1 1751 . 20 1 1 A 155 155 ASP N N 161 116.749 118.236 -1.487 1 1 1752 . 20 1 1 A 156 156 ALA H H 162 8.544 8.101 0.443 1 1 1753 . 20 1 1 A 156 156 ALA HA H 162 4.916 4.313 0.603 1 1 1757 . 20 1 1 A 156 156 ALA C C 162 177.708 177.650 0.058 1 1 1758 . 20 1 1 A 156 156 ALA CA C 162 49.878 53.992 -4.114 1 1 1759 . 20 1 1 A 156 156 ALA CB C 162 17.473 18.291 -0.818 1 1 1760 . 20 1 1 A 156 156 ALA N N 162 128.246 121.185 7.061 1 1 1761 . 20 1 1 A 157 157 GLY H H 163 8.406 8.465 -0.059 1 1 1762 . 20 1 1 A 157 157 GLY HA2 H 163 4.286 3.976 0.310 1 1 1763 . 20 1 1 A 157 157 GLY HA3 H 163 3.894 3.990 -0.096 1 1 1764 . 20 1 1 A 157 157 GLY C C 163 174.344 175.144 -0.800 1 1 1765 . 20 1 1 A 157 157 GLY CA C 163 45.049 46.704 -1.655 1 1 1766 . 20 1 1 A 157 157 GLY N N 163 106.545 106.696 -0.151 1 1 1767 . 20 1 1 A 158 158 GLY H H 164 7.128 7.331 -0.203 1 1 1768 . 20 1 1 A 158 158 GLY HA2 H 164 4.118 3.997 0.121 1 1 1769 . 20 1 1 A 158 158 GLY HA3 H 164 3.641 4.039 -0.398 1 1 1770 . 20 1 1 A 158 158 GLY C C 164 173.903 173.052 0.851 1 1 1771 . 20 1 1 A 158 158 GLY CA C 164 45.225 45.342 -0.117 1 1 1772 . 20 1 1 A 158 158 GLY N N 164 106.404 107.429 -1.025 1 1 1773 . 20 1 1 A 159 159 LYS H H 165 9.647 8.385 1.262 1 1 1774 . 20 1 1 A 159 159 LYS HA H 165 5.052 5.023 0.029 1 1 1781 . 20 1 1 A 159 159 LYS C C 165 174.390 175.276 -0.886 1 1 1782 . 20 1 1 A 159 159 LYS CA C 165 53.501 54.596 -1.095 1 1 1783 . 20 1 1 A 159 159 LYS CB C 165 34.622 36.775 -2.153 1 1 1786 . 20 1 1 A 159 159 LYS N N 165 123.930 121.704 2.226 1 1 1787 . 20 1 1 A 160 160 LEU H H 166 7.706 8.607 -0.901 1 1 1788 . 20 1 1 A 160 160 LEU HA H 166 4.873 5.172 -0.299 1 1 1798 . 20 1 1 A 160 160 LEU C C 166 174.825 174.833 -0.008 1 1 1799 . 20 1 1 A 160 160 LEU CA C 166 52.677 53.426 -0.749 1 1 1800 . 20 1 1 A 160 160 LEU CB C 166 44.629 46.086 -1.457 1 1 1804 . 20 1 1 A 160 160 LEU N N 166 126.271 118.997 7.274 1 1 1805 . 20 1 1 A 161 161 THR H H 167 8.374 8.481 -0.107 1 1 1806 . 20 1 1 A 161 161 THR HA H 167 4.949 5.286 -0.337 1 1 1811 . 20 1 1 A 161 161 THR C C 167 172.102 173.268 -1.166 1 1 1812 . 20 1 1 A 161 161 THR CA C 167 61.761 61.602 0.159 1 1 1813 . 20 1 1 A 161 161 THR CB C 167 70.169 70.973 -0.804 1 1 1815 . 20 1 1 A 161 161 THR N N 167 122.977 115.039 7.938 1 1 1816 . 20 1 1 A 162 162 TYR H H 168 9.174 9.310 -0.136 1 1 1817 . 20 1 1 A 162 162 TYR HA H 168 4.766 5.444 -0.678 1 1 1824 . 20 1 1 A 162 162 TYR C C 168 172.249 175.077 -2.828 1 1 1825 . 20 1 1 A 162 162 TYR CA C 168 58.162 56.351 1.811 1 1 1826 . 20 1 1 A 162 162 TYR CB C 168 43.746 42.364 1.382 1 1 1827 . 20 1 1 A 162 162 TYR N N 168 128.112 125.403 2.709 1 1 1828 . 20 1 1 A 163 163 THR H H 169 8.711 8.823 -0.112 1 1 1829 . 20 1 1 A 163 163 THR HA H 169 5.402 5.283 0.119 1 1 1834 . 20 1 1 A 163 163 THR C C 169 172.520 172.024 0.496 1 1 1835 . 20 1 1 A 163 163 THR CA C 169 60.804 60.031 0.773 1 1 1836 . 20 1 1 A 163 163 THR CB C 169 70.818 71.620 -0.802 1 1 1838 . 20 1 1 A 163 163 THR N N 169 124.549 115.291 9.258 1 1 1839 . 20 1 1 A 164 164 ILE H H 170 8.927 8.692 0.235 1 1 1840 . 20 1 1 A 164 164 ILE HA H 170 4.313 4.875 -0.562 1 1 1850 . 20 1 1 A 164 164 ILE C C 170 173.105 173.744 -0.639 1 1 1851 . 20 1 1 A 164 164 ILE CA C 170 60.595 59.878 0.717 1 1 1852 . 20 1 1 A 164 164 ILE CB C 170 41.274 41.011 0.263 1 1 1856 . 20 1 1 A 164 164 ILE N N 170 123.685 126.313 -2.628 1 1 1857 . 20 1 1 A 165 165 ASP H H 171 8.372 8.935 -0.563 1 1 1858 . 20 1 1 A 165 165 ASP HA H 171 4.750 4.735 0.015 1 1 1861 . 20 1 1 A 165 165 ASP C C 171 177.213 175.974 1.239 1 1 1862 . 20 1 1 A 165 165 ASP CA C 171 51.669 54.143 -2.474 1 1 1863 . 20 1 1 A 165 165 ASP CB C 171 41.730 39.559 2.171 1 1 1864 . 20 1 1 A 165 165 ASP N N 171 125.168 129.558 -4.390 1 1 1865 . 20 1 1 A 166 166 PHE H H 172 8.968 8.168 0.800 1 1 1866 . 20 1 1 A 166 166 PHE HA H 172 3.879 4.224 -0.345 1 1 1874 . 20 1 1 A 166 166 PHE C C 172 176.940 177.786 -0.846 1 1 1875 . 20 1 1 A 166 166 PHE CA C 172 61.543 61.238 0.305 1 1 1876 . 20 1 1 A 166 166 PHE CB C 172 37.424 38.389 -0.965 1 1 1877 . 20 1 1 A 166 166 PHE N N 172 123.597 121.855 1.742 1 1 1878 . 20 1 1 A 167 167 ALA H H 173 8.266 7.978 0.288 1 1 1879 . 20 1 1 A 167 167 ALA HA H 173 4.322 4.342 -0.020 1 1 1883 . 20 1 1 A 167 167 ALA C C 173 178.888 177.744 1.144 1 1 1884 . 20 1 1 A 167 167 ALA CA C 173 54.458 53.918 0.540 1 1 1885 . 20 1 1 A 167 167 ALA CB C 173 17.591 18.609 -1.018 1 1 1886 . 20 1 1 A 167 167 ALA N N 173 122.113 121.854 0.259 1 1 1887 . 20 1 1 A 168 168 ALA H H 174 7.405 7.838 -0.433 1 1 1888 . 20 1 1 A 168 168 ALA HA H 174 4.096 4.497 -0.401 1 1 1892 . 20 1 1 A 168 168 ALA C C 174 176.605 177.075 -0.470 1 1 1893 . 20 1 1 A 168 168 ALA CA C 174 51.225 51.577 -0.352 1 1 1894 . 20 1 1 A 168 168 ALA CB C 174 18.307 21.000 -2.693 1 1 1895 . 20 1 1 A 168 168 ALA N N 174 118.760 120.217 -1.457 1 1 1896 . 20 1 1 A 169 169 LYS H H 175 7.906 7.982 -0.076 1 1 1897 . 20 1 1 A 169 169 LYS HA H 175 3.391 3.745 -0.354 1 1 1904 . 20 1 1 A 169 169 LYS C C 175 174.608 175.055 -0.447 1 1 1905 . 20 1 1 A 169 169 LYS CA C 175 57.049 57.287 -0.238 1 1 1906 . 20 1 1 A 169 169 LYS CB C 175 30.051 29.463 0.588 1 1 1909 . 20 1 1 A 169 169 LYS N N 175 114.394 115.279 -0.885 1 1 1910 . 20 1 1 A 170 170 GLN H H 176 7.629 7.961 -0.332 1 1 1911 . 20 1 1 A 170 170 GLN HA H 176 5.414 4.504 0.910 1 1 1918 . 20 1 1 A 170 170 GLN C C 176 174.325 175.101 -0.776 1 1 1919 . 20 1 1 A 170 170 GLN CA C 176 54.393 55.486 -1.093 1 1 1920 . 20 1 1 A 170 170 GLN CB C 176 34.771 29.406 5.365 1 1 1922 . 20 1 1 A 170 170 GLN N N 176 116.433 117.947 -1.514 1 1 1924 . 20 1 1 A 171 171 GLY H H 177 8.854 9.105 -0.251 1 1 1925 . 20 1 1 A 171 171 GLY HA2 H 177 5.205 4.087 1.118 1 1 1926 . 20 1 1 A 171 171 GLY HA3 H 177 3.526 4.098 -0.572 1 1 1927 . 20 1 1 A 171 171 GLY C C 177 170.842 173.147 -2.305 1 1 1928 . 20 1 1 A 171 171 GLY CA C 177 44.621 46.416 -1.795 1 1 1929 . 20 1 1 A 171 171 GLY N N 177 110.189 112.756 -2.567 1 1 1930 . 20 1 1 A 172 172 ASN H H 178 7.637 8.611 -0.974 1 1 1931 . 20 1 1 A 172 172 ASN HA H 178 4.224 5.055 -0.831 1 1 1936 . 20 1 1 A 172 172 ASN C C 178 171.546 175.000 -3.454 1 1 1937 . 20 1 1 A 172 172 ASN CA C 178 53.729 51.933 1.796 1 1 1938 . 20 1 1 A 172 172 ASN CB C 178 41.543 40.307 1.236 1 1 1939 . 20 1 1 A 172 172 ASN N N 178 112.667 124.494 -11.827 1 1 1941 . 20 1 1 A 173 173 GLY H H 179 9.103 8.256 0.847 1 1 1942 . 20 1 1 A 173 173 GLY HA2 H 179 4.491 3.634 0.857 1 1 1943 . 20 1 1 A 173 173 GLY HA3 H 179 4.084 4.098 -0.014 1 1 1944 . 20 1 1 A 173 173 GLY C C 179 172.400 171.874 0.526 1 1 1945 . 20 1 1 A 173 173 GLY CA C 179 47.199 45.343 1.856 1 1 1946 . 20 1 1 A 173 173 GLY N N 179 106.686 109.490 -2.804 1 1 1947 . 20 1 1 A 174 174 LYS H H 180 9.179 8.087 1.092 1 1 1948 . 20 1 1 A 174 174 LYS HA H 180 4.821 4.885 -0.064 1 1 1957 . 20 1 1 A 174 174 LYS C C 180 172.518 174.622 -2.104 1 1 1958 . 20 1 1 A 174 174 LYS CA C 180 56.617 54.791 1.826 1 1 1959 . 20 1 1 A 174 174 LYS CB C 180 35.373 35.819 -0.446 1 1 1963 . 20 1 1 A 174 174 LYS N N 180 121.816 116.452 5.364 1 1 1964 . 20 1 1 A 175 175 ILE H H 181 8.351 8.258 0.093 1 1 1965 . 20 1 1 A 175 175 ILE HA H 181 4.581 4.488 0.093 1 1 1973 . 20 1 1 A 175 175 ILE C C 181 173.997 175.651 -1.654 1 1 1974 . 20 1 1 A 175 175 ILE CA C 181 60.490 59.673 0.817 1 1 1975 . 20 1 1 A 175 175 ILE CB C 181 39.573 38.234 1.339 1 1 1978 . 20 1 1 A 175 175 ILE N N 181 123.400 122.537 0.863 1 1 1979 . 20 1 1 A 176 176 GLU H H 182 8.492 8.667 -0.175 1 1 1980 . 20 1 1 A 176 176 GLU HA H 182 4.471 4.868 -0.397 1 1 1985 . 20 1 1 A 176 176 GLU C C 182 175.392 175.341 0.051 1 1 1986 . 20 1 1 A 176 176 GLU CA C 182 53.410 56.080 -2.670 1 1 1987 . 20 1 1 A 176 176 GLU CB C 182 35.479 32.170 3.309 1 1 1989 . 20 1 1 A 176 176 GLU N N 182 122.287 125.060 -2.773 1 1 1990 . 20 1 1 A 177 177 HIS H H 183 8.431 8.329 0.102 1 1 1991 . 20 1 1 A 177 177 HIS HA H 183 3.975 4.659 -0.684 1 1 1996 . 20 1 1 A 177 177 HIS C C 183 176.008 174.531 1.477 1 1 1997 . 20 1 1 A 177 177 HIS CA C 183 57.533 56.414 1.119 1 1 1998 . 20 1 1 A 177 177 HIS CB C 183 27.362 32.504 -5.142 1 1 1999 . 20 1 1 A 177 177 HIS N N 183 109.605 124.954 -15.349 1 1 2000 . 20 1 1 A 178 178 LEU H H 184 9.603 7.858 1.745 1 1 2001 . 20 1 1 A 178 178 LEU HA H 184 4.276 4.201 0.075 1 1 2011 . 20 1 1 A 178 178 LEU C C 184 178.805 178.087 0.718 1 1 2012 . 20 1 1 A 178 178 LEU CA C 184 56.034 54.574 1.460 1 1 2013 . 20 1 1 A 178 178 LEU CB C 184 39.882 42.071 -2.189 1 1 2017 . 20 1 1 A 178 178 LEU N N 184 124.374 119.798 4.576 1 1 2018 . 20 1 1 A 179 179 LYS H H 185 10.002 8.813 1.189 1 1 2019 . 20 1 1 A 179 179 LYS HA H 185 3.682 4.063 -0.381 1 1 2028 . 20 1 1 A 179 179 LYS C C 185 177.660 176.459 1.201 1 1 2029 . 20 1 1 A 179 179 LYS CA C 185 57.721 58.976 -1.255 1 1 2030 . 20 1 1 A 179 179 LYS CB C 185 31.949 32.117 -0.168 1 1 2034 . 20 1 1 A 179 179 LYS N N 185 122.880 121.375 1.505 1 1 2035 . 20 1 1 A 180 180 SER H H 186 7.262 7.977 -0.715 1 1 2036 . 20 1 1 A 180 180 SER HA H 186 4.672 4.922 -0.250 1 1 2039 . 20 1 1 A 180 180 SER C C 186 173.086 173.953 -0.867 1 1 2040 . 20 1 1 A 180 180 SER CA C 186 54.576 55.470 -0.894 1 1 2041 . 20 1 1 A 180 180 SER CB C 186 62.715 65.011 -2.296 1 1 2042 . 20 1 1 A 180 180 SER N N 186 115.187 115.345 -0.158 1 1 2043 . 20 1 1 A 181 181 PRO HA H 187 3.956 4.310 -0.354 1 1 2050 . 20 1 1 A 181 181 PRO CA C 187 65.359 65.561 -0.202 1 1 2051 . 20 1 1 A 181 181 PRO CB C 187 32.061 31.789 0.272 1 1 2054 . 20 1 1 A 182 182 GLU H H 188 8.076 8.364 -0.288 1 1 2055 . 20 1 1 A 182 182 GLU HA H 188 3.011 4.198 -1.187 1 1 2060 . 20 1 1 A 182 182 GLU C C 188 173.944 177.614 -3.670 1 1 2061 . 20 1 1 A 182 182 GLU CA C 188 56.597 58.619 -2.022 1 1 2062 . 20 1 1 A 182 182 GLU CB C 188 29.581 29.415 0.166 1 1 2064 . 20 1 1 A 182 182 GLU N N 188 113.034 117.874 -4.840 1 1 2065 . 20 1 1 A 183 183 LEU H H 189 7.126 7.233 -0.107 1 1 2066 . 20 1 1 A 183 183 LEU HA H 189 3.970 4.336 -0.366 1 1 2076 . 20 1 1 A 183 183 LEU C C 189 175.597 177.044 -1.447 1 1 2077 . 20 1 1 A 183 183 LEU CA C 189 53.849 54.453 -0.604 1 1 2078 . 20 1 1 A 183 183 LEU CB C 189 41.152 42.278 -1.126 1 1 2082 . 20 1 1 A 183 183 LEU N N 189 112.896 118.904 -6.008 1 1 2083 . 20 1 1 A 184 184 ASN H H 190 6.952 7.757 -0.805 1 1 2084 . 20 1 1 A 184 184 ASN HA H 190 4.596 4.659 -0.063 1 1 2089 . 20 1 1 A 184 184 ASN C C 190 175.694 174.800 0.894 1 1 2090 . 20 1 1 A 184 184 ASN CA C 190 53.200 53.126 0.074 1 1 2091 . 20 1 1 A 184 184 ASN CB C 190 36.466 39.288 -2.822 1 1 2092 . 20 1 1 A 184 184 ASN N N 190 117.865 117.540 0.325 1 1 2094 . 20 1 1 A 185 185 VAL H H 191 7.178 8.477 -1.299 1 1 2095 . 20 1 1 A 185 185 VAL HA H 191 4.480 4.616 -0.136 1 1 2103 . 20 1 1 A 185 185 VAL C C 191 174.874 175.546 -0.672 1 1 2104 . 20 1 1 A 185 185 VAL CA C 191 59.753 60.505 -0.752 1 1 2105 . 20 1 1 A 185 185 VAL CB C 191 33.035 33.342 -0.307 1 1 2108 . 20 1 1 A 185 185 VAL N N 191 113.276 119.161 -5.885 1 1 2109 . 20 1 1 A 186 186 ASP H H 192 8.827 8.555 0.272 1 1 2110 . 20 1 1 A 186 186 ASP HA H 192 4.779 4.713 0.066 1 1 2113 . 20 1 1 A 186 186 ASP C C 192 174.919 175.179 -0.260 1 1 2114 . 20 1 1 A 186 186 ASP CA C 192 54.058 54.618 -0.560 1 1 2115 . 20 1 1 A 186 186 ASP CB C 192 41.635 41.394 0.241 1 1 2116 . 20 1 1 A 186 186 ASP N N 192 118.111 122.493 -4.382 1 1 2117 . 20 1 1 A 187 187 LEU H H 193 8.375 8.595 -0.220 1 1 2118 . 20 1 1 A 187 187 LEU HA H 193 4.146 5.103 -0.957 1 1 2127 . 20 1 1 A 187 187 LEU CA C 193 52.331 53.242 -0.911 1 1 2128 . 20 1 1 A 187 187 LEU CB C 193 38.187 45.012 -6.825 1 1 2131 . 20 1 1 A 187 187 LEU N N 193 123.130 124.439 -1.309 1 1 2132 . 20 1 1 A 188 188 ALA H H 194 8.225 8.365 -0.140 1 1 2133 . 20 1 1 A 188 188 ALA HA H 194 4.098 4.551 -0.453 1 1 2137 . 20 1 1 A 188 188 ALA C C 194 176.239 176.740 -0.501 1 1 2138 . 20 1 1 A 188 188 ALA CA C 194 52.498 51.625 0.873 1 1 2139 . 20 1 1 A 188 188 ALA CB C 194 20.030 18.928 1.102 1 1 2140 . 20 1 1 A 188 188 ALA N N 194 126.289 128.638 -2.349 1 1 2141 . 20 1 1 A 189 189 ALA H H 195 8.275 7.994 0.281 1 1 2142 . 20 1 1 A 189 189 ALA HA H 195 4.862 4.350 0.512 1 1 2146 . 20 1 1 A 189 189 ALA C C 195 178.131 177.621 0.510 1 1 2147 . 20 1 1 A 189 189 ALA CA C 195 51.822 53.211 -1.389 1 1 2148 . 20 1 1 A 189 189 ALA CB C 195 17.367 18.994 -1.627 1 1 2149 . 20 1 1 A 189 189 ALA N N 195 122.010 125.768 -3.758 1 1 2150 . 20 1 1 A 190 190 ALA H H 196 8.823 8.919 -0.096 1 1 2151 . 20 1 1 A 190 190 ALA HA H 196 4.634 5.164 -0.530 1 1 2155 . 20 1 1 A 190 190 ALA C C 196 175.141 175.995 -0.854 1 1 2156 . 20 1 1 A 190 190 ALA CA C 196 50.420 49.901 0.519 1 1 2157 . 20 1 1 A 190 190 ALA CB C 196 23.461 22.642 0.819 1 1 2158 . 20 1 1 A 190 190 ALA N N 196 126.018 126.268 -0.250 1 1 2159 . 20 1 1 A 191 191 ASP H H 197 8.365 8.828 -0.463 1 1 2160 . 20 1 1 A 191 191 ASP HA H 197 5.160 5.148 0.012 1 1 2163 . 20 1 1 A 191 191 ASP C C 197 176.028 176.246 -0.218 1 1 2164 . 20 1 1 A 191 191 ASP CA C 197 54.034 52.475 1.559 1 1 2165 . 20 1 1 A 191 191 ASP CB C 197 41.691 42.496 -0.805 1 1 2166 . 20 1 1 A 191 191 ASP N N 197 118.646 118.767 -0.121 1 1 2167 . 20 1 1 A 192 192 ILE H H 198 7.915 8.267 -0.352 1 1 2168 . 20 1 1 A 192 192 ILE HA H 198 4.315 4.097 0.218 1 1 2178 . 20 1 1 A 192 192 ILE C C 198 174.684 175.939 -1.255 1 1 2179 . 20 1 1 A 192 192 ILE CA C 198 60.951 62.288 -1.337 1 1 2180 . 20 1 1 A 192 192 ILE CB C 198 41.989 37.981 4.008 1 1 2184 . 20 1 1 A 192 192 ILE N N 198 119.664 121.168 -1.504 1 1 2185 . 20 1 1 A 193 193 LYS H H 199 9.175 7.998 1.177 1 1 2186 . 20 1 1 A 193 193 LYS HA H 199 4.530 4.678 -0.148 1 1 2195 . 20 1 1 A 193 193 LYS C C 199 172.639 175.504 -2.865 1 1 2196 . 20 1 1 A 193 193 LYS CA C 199 53.361 53.039 0.322 1 1 2197 . 20 1 1 A 193 193 LYS CB C 199 34.758 33.411 1.347 1 1 2201 . 20 1 1 A 193 193 LYS N N 199 127.122 126.208 0.914 1 1 2202 . 20 1 1 A 195 195 ASP H H 201 8.390 8.036 0.354 1 1 2203 . 20 1 1 A 195 195 ASP HA H 201 4.550 4.853 -0.303 1 1 2206 . 20 1 1 A 195 195 ASP C C 201 179.300 176.222 3.078 1 1 2207 . 20 1 1 A 195 195 ASP CA C 201 51.354 53.296 -1.942 1 1 2208 . 20 1 1 A 195 195 ASP CB C 201 40.324 38.993 1.331 1 1 2209 . 20 1 1 A 195 195 ASP N N 201 123.239 123.351 -0.112 1 1 2210 . 20 1 1 A 196 196 GLY HA2 H 202 3.718 3.886 -0.168 1 1 2211 . 20 1 1 A 196 196 GLY HA3 H 202 3.437 3.910 -0.473 1 1 2212 . 20 1 1 A 196 196 GLY CA C 202 46.527 46.193 0.334 1 1 2213 . 20 1 1 A 197 197 LYS H H 203 7.740 8.538 -0.798 1 1 2214 . 20 1 1 A 197 197 LYS HA H 203 4.118 4.364 -0.246 1 1 2221 . 20 1 1 A 197 197 LYS C C 203 174.941 176.776 -1.835 1 1 2222 . 20 1 1 A 197 197 LYS CA C 203 55.054 56.253 -1.199 1 1 2223 . 20 1 1 A 197 197 LYS CB C 203 31.192 34.566 -3.374 1 1 2226 . 20 1 1 A 197 197 LYS N N 203 120.305 123.385 -3.080 1 1 2227 . 20 1 1 A 198 198 ARG H H 204 8.059 7.900 0.159 1 1 2228 . 20 1 1 A 198 198 ARG HA H 204 3.441 4.325 -0.884 1 1 2235 . 20 1 1 A 198 198 ARG C C 204 175.152 175.223 -0.071 1 1 2236 . 20 1 1 A 198 198 ARG CA C 204 56.911 55.846 1.065 1 1 2237 . 20 1 1 A 198 198 ARG CB C 204 26.584 31.817 -5.233 1 1 2240 . 20 1 1 A 198 198 ARG N N 204 111.796 114.899 -3.103 1 1 2241 . 20 1 1 A 199 199 HIS H H 205 8.531 7.918 0.613 1 1 2242 . 20 1 1 A 199 199 HIS HA H 205 4.812 5.036 -0.224 1 1 2247 . 20 1 1 A 199 199 HIS C C 205 174.866 174.582 0.284 1 1 2248 . 20 1 1 A 199 199 HIS CA C 205 53.700 54.905 -1.205 1 1 2249 . 20 1 1 A 199 199 HIS CB C 205 27.838 29.600 -1.762 1 1 2250 . 20 1 1 A 199 199 HIS N N 205 120.255 119.898 0.357 1 1 2251 . 20 1 1 A 200 200 ALA H H 206 8.492 9.012 -0.520 1 1 2252 . 20 1 1 A 200 200 ALA HA H 206 4.615 4.655 -0.040 1 1 2256 . 20 1 1 A 200 200 ALA C C 206 175.840 176.775 -0.935 1 1 2257 . 20 1 1 A 200 200 ALA CA C 206 52.247 51.348 0.899 1 1 2258 . 20 1 1 A 200 200 ALA CB C 206 19.838 20.243 -0.405 1 1 2259 . 20 1 1 A 200 200 ALA N N 206 123.237 128.087 -4.850 1 1 2260 . 20 1 1 A 201 201 VAL H H 207 9.174 8.489 0.685 1 1 2261 . 20 1 1 A 201 201 VAL HA H 207 4.976 4.917 0.059 1 1 2269 . 20 1 1 A 201 201 VAL C C 207 173.390 174.867 -1.477 1 1 2270 . 20 1 1 A 201 201 VAL CA C 207 60.775 60.636 0.139 1 1 2271 . 20 1 1 A 201 201 VAL CB C 207 35.488 35.756 -0.268 1 1 2274 . 20 1 1 A 201 201 VAL N N 207 123.250 122.059 1.191 1 1 2275 . 20 1 1 A 202 202 ILE H H 208 8.887 8.778 0.109 1 1 2276 . 20 1 1 A 202 202 ILE HA H 208 4.312 4.763 -0.451 1 1 2286 . 20 1 1 A 202 202 ILE C C 208 174.670 174.679 -0.009 1 1 2287 . 20 1 1 A 202 202 ILE CA C 208 60.815 59.865 0.950 1 1 2288 . 20 1 1 A 202 202 ILE CB C 208 41.576 40.479 1.097 1 1 2292 . 20 1 1 A 202 202 ILE N N 208 122.699 126.974 -4.275 1 1 2293 . 20 1 1 A 203 203 SER H H 209 8.416 8.621 -0.205 1 1 2294 . 20 1 1 A 203 203 SER HA H 209 4.913 5.173 -0.260 1 1 2297 . 20 1 1 A 203 203 SER C C 209 172.984 173.215 -0.231 1 1 2298 . 20 1 1 A 203 203 SER CA C 209 55.676 57.086 -1.410 1 1 2299 . 20 1 1 A 203 203 SER CB C 209 64.355 65.151 -0.796 1 1 2300 . 20 1 1 A 203 203 SER N N 209 122.067 124.711 -2.644 1 1 2301 . 20 1 1 A 204 204 GLY H H 210 7.292 7.999 -0.707 1 1 2302 . 20 1 1 A 204 204 GLY HA2 H 210 4.432 3.877 0.555 1 1 2303 . 20 1 1 A 204 204 GLY HA3 H 210 3.352 4.123 -0.771 1 1 2304 . 20 1 1 A 204 204 GLY C C 210 172.482 172.289 0.193 1 1 2305 . 20 1 1 A 204 204 GLY CA C 210 45.167 45.020 0.147 1 1 2306 . 20 1 1 A 204 204 GLY N N 210 110.488 112.333 -1.845 1 1 2307 . 20 1 1 A 205 205 SER H H 211 8.652 8.849 -0.197 1 1 2308 . 20 1 1 A 205 205 SER HA H 211 5.027 5.477 -0.450 1 1 2311 . 20 1 1 A 205 205 SER C C 211 172.852 173.368 -0.516 1 1 2312 . 20 1 1 A 205 205 SER CA C 211 58.806 57.550 1.256 1 1 2313 . 20 1 1 A 205 205 SER CB C 211 64.384 66.216 -1.832 1 1 2314 . 20 1 1 A 205 205 SER N N 211 116.497 116.637 -0.140 1 1 2315 . 20 1 1 A 206 206 VAL H H 212 7.400 8.942 -1.542 1 1 2316 . 20 1 1 A 206 206 VAL HA H 212 5.032 4.696 0.336 1 1 2324 . 20 1 1 A 206 206 VAL C C 212 174.500 175.113 -0.613 1 1 2325 . 20 1 1 A 206 206 VAL CA C 212 58.764 61.063 -2.299 1 1 2326 . 20 1 1 A 206 206 VAL CB C 212 30.512 35.194 -4.682 1 1 2329 . 20 1 1 A 206 206 VAL N N 212 117.101 123.638 -6.537 1 1 2330 . 20 1 1 A 207 207 LEU H H 213 8.961 8.776 0.185 1 1 2331 . 20 1 1 A 207 207 LEU HA H 213 5.312 4.917 0.395 1 1 2341 . 20 1 1 A 207 207 LEU C C 213 175.520 175.530 -0.010 1 1 2342 . 20 1 1 A 207 207 LEU CA C 213 52.630 53.569 -0.939 1 1 2343 . 20 1 1 A 207 207 LEU CB C 213 45.567 43.946 1.621 1 1 2347 . 20 1 1 A 207 207 LEU N N 213 124.185 126.876 -2.691 1 1 2348 . 20 1 1 A 208 208 TYR H H 214 8.836 8.794 0.042 1 1 2349 . 20 1 1 A 208 208 TYR HA H 214 4.766 4.694 0.072 1 1 2356 . 20 1 1 A 208 208 TYR C C 214 175.964 175.156 0.808 1 1 2357 . 20 1 1 A 208 208 TYR CA C 214 56.943 58.185 -1.242 1 1 2358 . 20 1 1 A 208 208 TYR CB C 214 41.736 41.956 -0.220 1 1 2359 . 20 1 1 A 208 208 TYR N N 214 120.202 120.368 -0.166 1 1 2360 . 20 1 1 A 209 209 ASN H H 215 9.292 9.679 -0.387 1 1 2361 . 20 1 1 A 209 209 ASN HA H 215 4.001 4.429 -0.428 1 1 2366 . 20 1 1 A 209 209 ASN C C 215 174.336 174.294 0.042 1 1 2367 . 20 1 1 A 209 209 ASN CA C 215 53.923 54.210 -0.287 1 1 2368 . 20 1 1 A 209 209 ASN CB C 215 36.468 37.287 -0.819 1 1 2369 . 20 1 1 A 209 209 ASN N N 215 129.805 123.539 6.266 1 1 2371 . 20 1 1 A 210 210 GLN H H 216 8.614 8.545 0.069 1 1 2372 . 20 1 1 A 210 210 GLN HA H 216 3.453 3.933 -0.480 1 1 2379 . 20 1 1 A 210 210 GLN C C 216 173.521 174.134 -0.613 1 1 2380 . 20 1 1 A 210 210 GLN CA C 216 57.881 57.481 0.400 1 1 2381 . 20 1 1 A 210 210 GLN CB C 216 26.089 26.835 -0.746 1 1 2383 . 20 1 1 A 210 210 GLN N N 216 106.396 110.110 -3.714 1 1 2385 . 20 1 1 A 211 211 ALA H H 217 7.657 7.459 0.198 1 1 2386 . 20 1 1 A 211 211 ALA HA H 217 4.608 4.653 -0.045 1 1 2390 . 20 1 1 A 211 211 ALA C C 217 176.432 175.549 0.883 1 1 2391 . 20 1 1 A 211 211 ALA CA C 217 50.786 52.112 -1.326 1 1 2392 . 20 1 1 A 211 211 ALA CB C 217 20.499 20.565 -0.066 1 1 2393 . 20 1 1 A 211 211 ALA N N 217 123.338 119.758 3.580 1 1 2394 . 20 1 1 A 212 212 GLU H H 218 8.712 8.731 -0.019 1 1 2395 . 20 1 1 A 212 212 GLU HA H 218 4.525 4.736 -0.211 1 1 2400 . 20 1 1 A 212 212 GLU C C 218 177.924 173.861 4.063 1 1 2401 . 20 1 1 A 212 212 GLU CA C 218 57.550 55.844 1.706 1 1 2402 . 20 1 1 A 212 212 GLU CB C 218 28.811 33.663 -4.852 1 1 2404 . 20 1 1 A 212 212 GLU N N 218 122.631 122.168 0.463 1 1 2405 . 20 1 1 A 213 213 LYS H H 219 8.835 8.706 0.129 1 1 2406 . 20 1 1 A 213 213 LYS HA H 219 4.612 4.792 -0.180 1 1 2415 . 20 1 1 A 213 213 LYS C C 219 173.786 175.199 -1.413 1 1 2416 . 20 1 1 A 213 213 LYS CA C 219 53.115 54.771 -1.656 1 1 2417 . 20 1 1 A 213 213 LYS CB C 219 34.180 32.679 1.501 1 1 2421 . 20 1 1 A 213 213 LYS N N 219 126.870 124.362 2.508 1 1 2422 . 20 1 1 A 214 214 GLY H H 220 7.929 8.666 -0.737 1 1 2423 . 20 1 1 A 214 214 GLY HA2 H 220 5.469 4.179 1.290 1 1 2424 . 20 1 1 A 214 214 GLY HA3 H 220 3.719 4.210 -0.491 1 1 2425 . 20 1 1 A 214 214 GLY C C 220 173.926 172.810 1.116 1 1 2426 . 20 1 1 A 214 214 GLY CA C 220 44.536 44.084 0.452 1 1 2427 . 20 1 1 A 214 214 GLY N N 220 107.019 114.096 -7.077 1 1 2428 . 20 1 1 A 215 215 SER H H 221 8.678 9.039 -0.361 1 1 2429 . 20 1 1 A 215 215 SER HA H 221 5.460 5.478 -0.018 1 1 2432 . 20 1 1 A 215 215 SER C C 221 171.043 173.321 -2.278 1 1 2433 . 20 1 1 A 215 215 SER CA C 221 56.810 56.755 0.055 1 1 2434 . 20 1 1 A 215 215 SER CB C 221 66.671 66.398 0.273 1 1 2435 . 20 1 1 A 215 215 SER N N 221 117.334 113.710 3.624 1 1 2436 . 20 1 1 A 216 216 TYR H H 222 8.958 8.825 0.133 1 1 2437 . 20 1 1 A 216 216 TYR HA H 222 5.389 5.799 -0.410 1 1 2445 . 20 1 1 A 216 216 TYR C C 222 172.789 172.939 -0.150 1 1 2446 . 20 1 1 A 216 216 TYR CA C 222 55.819 55.377 0.442 1 1 2447 . 20 1 1 A 216 216 TYR CB C 222 41.681 42.413 -0.732 1 1 2448 . 20 1 1 A 216 216 TYR N N 222 117.645 119.239 -1.594 1 1 2449 . 20 1 1 A 217 217 SER H H 223 8.837 9.164 -0.327 1 1 2450 . 20 1 1 A 217 217 SER HA H 223 5.165 5.238 -0.073 1 1 2453 . 20 1 1 A 217 217 SER C C 223 173.125 172.555 0.570 1 1 2454 . 20 1 1 A 217 217 SER CA C 223 56.600 56.565 0.035 1 1 2455 . 20 1 1 A 217 217 SER CB C 223 64.500 65.093 -0.593 1 1 2456 . 20 1 1 A 217 217 SER N N 223 115.593 115.741 -0.148 1 1 2457 . 20 1 1 A 218 218 LEU H H 224 9.299 8.648 0.651 1 1 2458 . 20 1 1 A 218 218 LEU HA H 224 4.748 4.823 -0.075 1 1 2468 . 20 1 1 A 218 218 LEU C C 224 175.567 174.709 0.858 1 1 2469 . 20 1 1 A 218 218 LEU CA C 224 53.138 53.637 -0.499 1 1 2470 . 20 1 1 A 218 218 LEU CB C 224 46.255 44.928 1.327 1 1 2474 . 20 1 1 A 218 218 LEU N N 224 123.523 121.531 1.992 1 1 2475 . 20 1 1 A 219 219 GLY H H 225 9.041 8.087 0.954 1 1 2476 . 20 1 1 A 219 219 GLY HA2 H 225 4.620 4.036 0.584 1 1 2477 . 20 1 1 A 219 219 GLY HA3 H 225 3.413 4.180 -0.767 1 1 2478 . 20 1 1 A 219 219 GLY C C 225 171.514 171.746 -0.232 1 1 2479 . 20 1 1 A 219 219 GLY CA C 225 43.777 43.641 0.136 1 1 2480 . 20 1 1 A 219 219 GLY N N 225 108.999 106.025 2.974 1 1 2481 . 20 1 1 A 220 220 ILE H H 226 6.853 8.122 -1.269 1 1 2482 . 20 1 1 A 220 220 ILE HA H 226 4.615 4.299 0.316 1 1 2492 . 20 1 1 A 220 220 ILE C C 226 174.750 175.473 -0.723 1 1 2493 . 20 1 1 A 220 220 ILE CA C 226 60.421 61.317 -0.896 1 1 2494 . 20 1 1 A 220 220 ILE CB C 226 38.213 37.983 0.230 1 1 2498 . 20 1 1 A 220 220 ILE N N 226 120.223 121.480 -1.257 1 1 2499 . 20 1 1 A 221 221 PHE H H 227 9.392 8.863 0.529 1 1 2500 . 20 1 1 A 221 221 PHE HA H 227 4.770 5.121 -0.351 1 1 2507 . 20 1 1 A 221 221 PHE C C 227 175.093 175.105 -0.012 1 1 2508 . 20 1 1 A 221 221 PHE CA C 227 58.053 56.310 1.743 1 1 2509 . 20 1 1 A 221 221 PHE CB C 227 42.505 42.523 -0.018 1 1 2510 . 20 1 1 A 221 221 PHE N N 227 128.229 125.545 2.684 1 1 2511 . 20 1 1 A 222 222 GLY H H 228 8.675 8.645 0.030 1 1 2512 . 20 1 1 A 222 222 GLY HA2 H 228 3.174 3.763 -0.589 1 1 2513 . 20 1 1 A 222 222 GLY HA3 H 228 4.311 3.803 0.508 1 1 2514 . 20 1 1 A 222 222 GLY CA C 228 42.438 44.112 -1.674 1 1 2515 . 20 1 1 A 222 222 GLY N N 228 104.634 110.387 -5.753 1 1 2516 . 20 1 1 A 223 223 GLY CA C 229 46.870 46.456 0.414 1 1 2517 . 20 1 1 A 224 224 LYS H H 230 8.366 7.983 0.383 1 1 2518 . 20 1 1 A 224 224 LYS HA H 230 4.305 4.658 -0.353 1 1 2523 . 20 1 1 A 224 224 LYS C C 230 174.717 177.019 -2.302 1 1 2524 . 20 1 1 A 224 224 LYS CA C 230 54.119 57.387 -3.268 1 1 2525 . 20 1 1 A 224 224 LYS CB C 230 30.821 35.667 -4.846 1 1 2527 . 20 1 1 A 224 224 LYS N N 230 118.720 119.521 -0.801 1 1 2528 . 20 1 1 A 225 225 ALA H H 231 7.633 7.720 -0.087 1 1 2529 . 20 1 1 A 225 225 ALA HA H 231 3.810 4.705 -0.895 1 1 2533 . 20 1 1 A 225 225 ALA C C 231 176.702 178.342 -1.640 1 1 2534 . 20 1 1 A 225 225 ALA CA C 231 51.868 51.619 0.249 1 1 2535 . 20 1 1 A 225 225 ALA CB C 231 16.117 20.113 -3.996 1 1 2536 . 20 1 1 A 225 225 ALA N N 231 118.077 120.620 -2.543 1 1 2537 . 20 1 1 A 226 226 GLN H H 232 9.387 8.375 1.012 1 1 2538 . 20 1 1 A 226 226 GLN HA H 232 3.877 4.285 -0.408 1 1 2543 . 20 1 1 A 226 226 GLN C C 232 175.992 176.451 -0.459 1 1 2544 . 20 1 1 A 226 226 GLN CA C 232 60.989 58.373 2.616 1 1 2545 . 20 1 1 A 226 226 GLN CB C 232 28.695 29.538 -0.843 1 1 2547 . 20 1 1 A 226 226 GLN N N 232 117.991 119.261 -1.270 1 1 2548 . 20 1 1 A 227 227 GLU H H 233 8.825 7.335 1.490 1 1 2549 . 20 1 1 A 227 227 GLU HA H 233 5.411 4.590 0.821 1 1 2554 . 20 1 1 A 227 227 GLU C C 233 174.939 173.779 1.160 1 1 2555 . 20 1 1 A 227 227 GLU CA C 233 54.289 55.317 -1.028 1 1 2556 . 20 1 1 A 227 227 GLU CB C 233 33.797 32.157 1.640 1 1 2558 . 20 1 1 A 227 227 GLU N N 233 116.638 114.014 2.624 1 1 2559 . 20 1 1 A 228 228 VAL H H 234 8.343 8.470 -0.127 1 1 2560 . 20 1 1 A 228 228 VAL HA H 234 5.544 4.752 0.792 1 1 2568 . 20 1 1 A 228 228 VAL C C 234 174.839 174.163 0.676 1 1 2569 . 20 1 1 A 228 228 VAL CA C 234 57.867 59.794 -1.927 1 1 2570 . 20 1 1 A 228 228 VAL CB C 234 35.379 33.890 1.489 1 1 2573 . 20 1 1 A 228 228 VAL N N 234 109.304 114.762 -5.458 1 1 2574 . 20 1 1 A 229 229 ALA H H 235 8.475 8.218 0.257 1 1 2575 . 20 1 1 A 229 229 ALA HA H 235 4.937 5.104 -0.167 1 1 2579 . 20 1 1 A 229 229 ALA C C 235 176.417 175.767 0.650 1 1 2580 . 20 1 1 A 229 229 ALA CA C 235 51.303 51.089 0.214 1 1 2581 . 20 1 1 A 229 229 ALA CB C 235 20.301 23.664 -3.363 1 1 2582 . 20 1 1 A 229 229 ALA N N 235 120.653 124.593 -3.940 1 1 2583 . 20 1 1 A 230 230 GLY H H 236 9.361 7.970 1.391 1 1 2584 . 20 1 1 A 230 230 GLY HA2 H 236 5.075 4.171 0.904 1 1 2585 . 20 1 1 A 230 230 GLY HA3 H 236 4.017 4.210 -0.193 1 1 2586 . 20 1 1 A 230 230 GLY C C 236 170.130 171.336 -1.206 1 1 2587 . 20 1 1 A 230 230 GLY CA C 236 46.221 45.754 0.467 1 1 2588 . 20 1 1 A 230 230 GLY N N 236 111.104 106.502 4.602 1 1 2589 . 20 1 1 A 231 231 SER H H 237 8.889 8.769 0.120 1 1 2590 . 20 1 1 A 231 231 SER HA H 237 5.276 5.198 0.078 1 1 2593 . 20 1 1 A 231 231 SER C C 237 171.360 172.734 -1.374 1 1 2594 . 20 1 1 A 231 231 SER CA C 237 56.498 57.560 -1.062 1 1 2595 . 20 1 1 A 231 231 SER CB C 237 66.398 65.580 0.818 1 1 2596 . 20 1 1 A 231 231 SER N N 237 115.308 116.279 -0.971 1 1 2597 . 20 1 1 A 232 232 ALA H H 238 9.083 8.977 0.106 1 1 2598 . 20 1 1 A 232 232 ALA HA H 238 5.148 5.437 -0.289 1 1 2602 . 20 1 1 A 232 232 ALA C C 238 174.537 175.233 -0.696 1 1 2603 . 20 1 1 A 232 232 ALA CA C 238 49.904 50.548 -0.644 1 1 2604 . 20 1 1 A 232 232 ALA CB C 238 21.729 23.554 -1.825 1 1 2605 . 20 1 1 A 232 232 ALA N N 238 119.911 125.159 -5.248 1 1 2606 . 20 1 1 A 233 233 GLU H H 239 9.015 9.160 -0.145 1 1 2607 . 20 1 1 A 233 233 GLU HA H 239 4.631 5.155 -0.524 1 1 2612 . 20 1 1 A 233 233 GLU C C 239 174.122 174.328 -0.206 1 1 2613 . 20 1 1 A 233 233 GLU CA C 239 54.786 54.873 -0.087 1 1 2614 . 20 1 1 A 233 233 GLU CB C 239 31.355 33.555 -2.200 1 1 2616 . 20 1 1 A 233 233 GLU N N 239 122.744 121.653 1.091 1 1 2617 . 20 1 1 A 234 234 VAL H H 240 8.792 8.636 0.156 1 1 2618 . 20 1 1 A 234 234 VAL HA H 240 4.394 4.860 -0.466 1 1 2623 . 20 1 1 A 234 234 VAL C C 240 174.833 173.653 1.180 1 1 2624 . 20 1 1 A 234 234 VAL CA C 240 61.427 59.616 1.811 1 1 2625 . 20 1 1 A 234 234 VAL CB C 240 33.863 35.632 -1.769 1 1 2627 . 20 1 1 A 234 234 VAL N N 240 124.203 122.285 1.918 1 1 2628 . 20 1 1 A 235 235 LYS H H 241 8.841 8.627 0.214 1 1 2629 . 20 1 1 A 235 235 LYS HA H 241 3.981 4.577 -0.596 1 1 2638 . 20 1 1 A 235 235 LYS C C 241 174.548 175.280 -0.732 1 1 2639 . 20 1 1 A 235 235 LYS CA C 241 55.955 54.906 1.049 1 1 2640 . 20 1 1 A 235 235 LYS CB C 241 32.100 31.525 0.575 1 1 2644 . 20 1 1 A 235 235 LYS N N 241 127.554 127.959 -0.405 1 1 2645 . 20 1 1 A 236 236 THR H H 242 7.212 7.820 -0.608 1 1 2646 . 20 1 1 A 236 236 THR HA H 242 4.355 4.736 -0.381 1 1 2651 . 20 1 1 A 236 236 THR C C 242 176.482 176.150 0.332 1 1 2652 . 20 1 1 A 236 236 THR CA C 242 61.054 61.872 -0.818 1 1 2653 . 20 1 1 A 236 236 THR CB C 242 72.642 69.561 3.081 1 1 2655 . 20 1 1 A 236 236 THR N N 242 114.463 118.455 -3.992 1 1 2656 . 20 1 1 A 237 237 VAL H H 243 9.582 8.662 0.920 1 1 2657 . 20 1 1 A 237 237 VAL HA H 243 3.849 3.773 0.076 1 1 2665 . 20 1 1 A 237 237 VAL C C 243 176.201 176.569 -0.368 1 1 2666 . 20 1 1 A 237 237 VAL CA C 243 64.701 65.095 -0.394 1 1 2667 . 20 1 1 A 237 237 VAL CB C 243 31.028 31.290 -0.262 1 1 2669 . 20 1 1 A 237 237 VAL N N 243 120.670 123.720 -3.050 1 1 2670 . 20 1 1 A 238 238 ASN H H 244 7.572 7.891 -0.319 1 1 2671 . 20 1 1 A 238 238 ASN HA H 244 4.882 4.752 0.130 1 1 2676 . 20 1 1 A 238 238 ASN C C 244 173.835 175.627 -1.792 1 1 2677 . 20 1 1 A 238 238 ASN CA C 244 52.022 53.212 -1.190 1 1 2678 . 20 1 1 A 238 238 ASN CB C 244 39.176 39.142 0.034 1 1 2679 . 20 1 1 A 238 238 ASN N N 244 115.638 117.897 -2.259 1 1 2681 . 20 1 1 A 239 239 GLY H H 245 7.362 8.078 -0.716 1 1 2682 . 20 1 1 A 239 239 GLY HA2 H 245 4.539 4.025 0.514 1 1 2683 . 20 1 1 A 239 239 GLY HA3 H 245 3.728 4.032 -0.304 1 1 2684 . 20 1 1 A 239 239 GLY C C 245 174.343 173.179 1.164 1 1 2685 . 20 1 1 A 239 239 GLY CA C 245 43.316 43.970 -0.654 1 1 2686 . 20 1 1 A 239 239 GLY N N 245 107.650 105.913 1.737 1 1 2687 . 20 1 1 A 240 240 ILE H H 246 8.672 8.222 0.450 1 1 2688 . 20 1 1 A 240 240 ILE HA H 246 4.351 4.170 0.181 1 1 2698 . 20 1 1 A 240 240 ILE C C 246 176.899 174.913 1.986 1 1 2699 . 20 1 1 A 240 240 ILE CA C 246 61.120 61.640 -0.520 1 1 2700 . 20 1 1 A 240 240 ILE CB C 246 36.906 38.846 -1.940 1 1 2704 . 20 1 1 A 240 240 ILE N N 246 122.673 121.027 1.646 1 1 2705 . 20 1 1 A 241 241 ARG H H 247 9.233 8.709 0.524 1 1 2706 . 20 1 1 A 241 241 ARG HA H 247 4.370 5.106 -0.736 1 1 2713 . 20 1 1 A 241 241 ARG C C 247 173.925 174.558 -0.633 1 1 2714 . 20 1 1 A 241 241 ARG CA C 247 53.461 53.871 -0.410 1 1 2715 . 20 1 1 A 241 241 ARG CB C 247 31.910 33.539 -1.629 1 1 2718 . 20 1 1 A 241 241 ARG N N 247 128.497 127.832 0.665 1 1 2719 . 20 1 1 A 242 242 HIS H H 248 8.519 8.714 -0.195 1 1 2720 . 20 1 1 A 242 242 HIS HA H 248 5.323 5.366 -0.043 1 1 2725 . 20 1 1 A 242 242 HIS C C 248 174.635 174.698 -0.063 1 1 2726 . 20 1 1 A 242 242 HIS CA C 248 55.759 53.988 1.771 1 1 2727 . 20 1 1 A 242 242 HIS CB C 248 32.921 33.139 -0.218 1 1 2728 . 20 1 1 A 242 242 HIS N N 248 121.131 119.774 1.357 1 1 2729 . 20 1 1 A 243 243 ILE H H 249 8.723 9.087 -0.364 1 1 2730 . 20 1 1 A 243 243 ILE HA H 249 4.522 4.545 -0.023 1 1 2740 . 20 1 1 A 243 243 ILE C C 249 176.188 175.394 0.794 1 1 2741 . 20 1 1 A 243 243 ILE CA C 249 58.524 59.738 -1.214 1 1 2742 . 20 1 1 A 243 243 ILE CB C 249 41.977 42.364 -0.387 1 1 2746 . 20 1 1 A 243 243 ILE N N 249 119.438 122.335 -2.897 1 1 2747 . 20 1 1 A 244 244 GLY H H 250 9.351 8.444 0.907 1 1 2748 . 20 1 1 A 244 244 GLY HA2 H 250 3.707 2.971 0.736 1 1 2749 . 20 1 1 A 244 244 GLY HA3 H 250 2.119 3.835 -1.716 1 1 2750 . 20 1 1 A 244 244 GLY C C 250 170.981 172.282 -1.301 1 1 2751 . 20 1 1 A 244 244 GLY CA C 250 44.178 44.403 -0.225 1 1 2752 . 20 1 1 A 244 244 GLY N N 250 113.700 113.664 0.036 1 1 2753 . 20 1 1 A 245 245 LEU H H 251 7.833 8.546 -0.713 1 1 2754 . 20 1 1 A 245 245 LEU HA H 251 4.717 5.045 -0.328 1 1 2764 . 20 1 1 A 245 245 LEU C C 251 174.501 175.984 -1.483 1 1 2765 . 20 1 1 A 245 245 LEU CA C 251 52.508 53.899 -1.391 1 1 2766 . 20 1 1 A 245 245 LEU CB C 251 46.764 43.324 3.440 1 1 2770 . 20 1 1 A 245 245 LEU N N 251 120.798 124.609 -3.811 1 1 2771 . 20 1 1 A 246 246 ALA H H 252 7.906 8.785 -0.879 1 1 2772 . 20 1 1 A 246 246 ALA HA H 252 4.589 5.037 -0.448 1 1 2776 . 20 1 1 A 246 246 ALA C C 252 173.363 175.852 -2.489 1 1 2777 . 20 1 1 A 246 246 ALA CA C 252 51.546 51.374 0.172 1 1 2778 . 20 1 1 A 246 246 ALA CB C 252 21.524 20.865 0.659 1 1 2779 . 20 1 1 A 246 246 ALA N N 252 122.885 124.846 -1.961 1 1 2780 . 20 1 1 A 247 247 ALA H H 253 9.041 8.706 0.335 1 1 2781 . 20 1 1 A 247 247 ALA HA H 253 4.726 5.361 -0.635 1 1 2785 . 20 1 1 A 247 247 ALA C C 253 174.897 175.380 -0.483 1 1 2786 . 20 1 1 A 247 247 ALA CA C 253 51.723 51.215 0.508 1 1 2787 . 20 1 1 A 247 247 ALA CB C 253 22.967 21.460 1.507 1 1 2788 . 20 1 1 A 247 247 ALA N N 253 122.967 125.480 -2.513 1 1 2789 . 20 1 1 A 248 248 LYS H H 254 8.171 8.969 -0.798 1 1 2790 . 20 1 1 A 248 248 LYS HA H 254 5.731 5.089 0.642 1 1 2797 . 20 1 1 A 248 248 LYS C C 254 175.094 176.528 -1.434 1 1 2798 . 20 1 1 A 248 248 LYS CA C 254 53.866 54.307 -0.441 1 1 2799 . 20 1 1 A 248 248 LYS CB C 254 36.312 36.164 0.148 1 1 2802 . 20 1 1 A 248 248 LYS N N 254 115.734 123.815 -8.081 1 1 60 . 21 1 1 A 9 9 GLY H H 15 8.346 8.779 -0.433 1 1 61 . 21 1 1 A 9 9 GLY HA2 H 15 4.021 3.877 0.144 1 1 62 . 21 1 1 A 9 9 GLY HA3 H 15 3.772 3.880 -0.108 1 1 63 . 21 1 1 A 9 9 GLY C C 15 174.259 175.289 -1.030 1 1 64 . 21 1 1 A 9 9 GLY CA C 15 45.581 46.509 -0.928 1 1 65 . 21 1 1 A 9 9 GLY N N 15 107.368 111.755 -4.387 1 1 66 . 21 1 1 A 10 10 LEU H H 16 7.224 7.926 -0.702 1 1 67 . 21 1 1 A 10 10 LEU HA H 16 3.736 4.100 -0.364 1 1 77 . 21 1 1 A 10 10 LEU C C 16 178.202 179.360 -1.158 1 1 78 . 21 1 1 A 10 10 LEU CA C 16 57.915 57.426 0.489 1 1 79 . 21 1 1 A 10 10 LEU CB C 16 40.686 41.397 -0.711 1 1 83 . 21 1 1 A 10 10 LEU N N 16 117.616 123.399 -5.783 1 1 84 . 21 1 1 A 11 11 ALA H H 17 7.860 7.827 0.033 1 1 85 . 21 1 1 A 11 11 ALA HA H 17 3.937 4.055 -0.118 1 1 89 . 21 1 1 A 11 11 ALA C C 17 181.090 179.793 1.297 1 1 90 . 21 1 1 A 11 11 ALA CA C 17 54.860 55.243 -0.383 1 1 91 . 21 1 1 A 11 11 ALA CB C 17 17.248 17.927 -0.679 1 1 92 . 21 1 1 A 11 11 ALA N N 17 117.757 122.165 -4.408 1 1 93 . 21 1 1 A 12 12 ASP H H 18 8.017 8.164 -0.147 1 1 94 . 21 1 1 A 12 12 ASP HA H 18 4.223 4.330 -0.107 1 1 97 . 21 1 1 A 12 12 ASP C C 18 177.941 178.304 -0.363 1 1 98 . 21 1 1 A 12 12 ASP CA C 18 56.341 56.770 -0.429 1 1 99 . 21 1 1 A 12 12 ASP CB C 18 39.312 40.531 -1.219 1 1 100 . 21 1 1 A 12 12 ASP N N 18 118.410 118.613 -0.203 1 1 101 . 21 1 1 A 13 13 ALA H H 19 8.205 7.608 0.597 1 1 102 . 21 1 1 A 13 13 ALA HA H 19 3.952 4.153 -0.201 1 1 106 . 21 1 1 A 13 13 ALA C C 19 178.856 178.025 0.831 1 1 107 . 21 1 1 A 13 13 ALA CA C 19 55.039 54.235 0.804 1 1 108 . 21 1 1 A 13 13 ALA CB C 19 17.779 18.518 -0.739 1 1 109 . 21 1 1 A 13 13 ALA N N 19 121.480 121.035 0.445 1 1 110 . 21 1 1 A 14 14 LEU H H 20 7.217 7.390 -0.173 1 1 111 . 21 1 1 A 14 14 LEU HA H 20 4.258 4.324 -0.066 1 1 121 . 21 1 1 A 14 14 LEU C C 20 177.544 178.794 -1.250 1 1 122 . 21 1 1 A 14 14 LEU CA C 20 55.511 55.386 0.125 1 1 123 . 21 1 1 A 14 14 LEU CB C 20 42.176 42.394 -0.218 1 1 126 . 21 1 1 A 14 14 LEU N N 20 113.410 116.251 -2.841 1 1 127 . 21 1 1 A 15 15 THR H H 21 7.624 7.323 0.301 1 1 128 . 21 1 1 A 15 15 THR HA H 21 4.394 4.303 0.091 1 1 133 . 21 1 1 A 15 15 THR C C 21 174.959 175.042 -0.083 1 1 134 . 21 1 1 A 15 15 THR CA C 21 61.733 63.407 -1.674 1 1 135 . 21 1 1 A 15 15 THR CB C 21 71.514 68.940 2.574 1 1 137 . 21 1 1 A 15 15 THR N N 21 106.072 110.259 -4.187 1 1 138 . 21 1 1 A 16 16 ALA H H 22 8.932 7.628 1.304 1 1 139 . 21 1 1 A 16 16 ALA HA H 22 4.624 4.681 -0.057 1 1 143 . 21 1 1 A 16 16 ALA C C 22 175.978 174.316 1.662 1 1 144 . 21 1 1 A 16 16 ALA CA C 22 50.681 50.155 0.526 1 1 145 . 21 1 1 A 16 16 ALA CB C 22 18.728 21.706 -2.978 1 1 146 . 21 1 1 A 16 16 ALA N N 22 127.789 121.495 6.294 1 1 147 . 21 1 1 A 17 17 PRO HA H 23 4.430 4.598 -0.168 1 1 154 . 21 1 1 A 17 17 PRO CA C 23 61.497 62.596 -1.099 1 1 155 . 21 1 1 A 17 17 PRO CB C 23 31.775 32.956 -1.181 1 1 158 . 21 1 1 A 18 18 LEU H H 24 8.154 8.971 -0.817 1 1 159 . 21 1 1 A 18 18 LEU HA H 24 3.894 4.339 -0.445 1 1 169 . 21 1 1 A 18 18 LEU C C 24 176.447 176.075 0.372 1 1 170 . 21 1 1 A 18 18 LEU CA C 24 55.510 56.985 -1.475 1 1 171 . 21 1 1 A 18 18 LEU CB C 24 40.921 43.009 -2.088 1 1 175 . 21 1 1 A 18 18 LEU N N 24 121.010 120.312 0.698 1 1 176 . 21 1 1 A 19 19 ASP H H 25 8.758 7.740 1.018 1 1 177 . 21 1 1 A 19 19 ASP HA H 25 4.626 4.992 -0.366 1 1 180 . 21 1 1 A 19 19 ASP C C 25 176.425 175.466 0.959 1 1 181 . 21 1 1 A 19 19 ASP CA C 25 52.688 53.388 -0.700 1 1 182 . 21 1 1 A 19 19 ASP CB C 25 42.819 44.418 -1.599 1 1 183 . 21 1 1 A 19 19 ASP N N 25 124.654 113.559 11.095 1 1 184 . 21 1 1 A 20 20 HIS HA H 26 4.272 4.069 0.203 1 1 189 . 21 1 1 A 20 20 HIS CA C 26 58.100 59.788 -1.688 1 1 190 . 21 1 1 A 20 20 HIS CB C 26 29.200 30.552 -1.352 1 1 191 . 21 1 1 A 21 21 LYS H H 27 8.348 7.667 0.681 1 1 192 . 21 1 1 A 21 21 LYS HA H 27 3.970 4.427 -0.457 1 1 201 . 21 1 1 A 21 21 LYS C C 27 177.393 176.607 0.786 1 1 202 . 21 1 1 A 21 21 LYS CA C 27 56.320 55.618 0.702 1 1 203 . 21 1 1 A 21 21 LYS CB C 27 30.950 33.752 -2.802 1 1 206 . 21 1 1 A 21 21 LYS N N 27 118.419 113.004 5.415 1 1 207 . 21 1 1 A 22 22 ASP H H 28 7.451 8.449 -0.998 1 1 208 . 21 1 1 A 22 22 ASP HA H 28 4.307 4.527 -0.220 1 1 211 . 21 1 1 A 22 22 ASP C C 28 176.212 175.995 0.217 1 1 212 . 21 1 1 A 22 22 ASP CA C 28 54.164 56.624 -2.460 1 1 213 . 21 1 1 A 22 22 ASP CB C 28 40.091 40.445 -0.354 1 1 214 . 21 1 1 A 22 22 ASP N N 28 120.045 119.644 0.401 1 1 215 . 21 1 1 A 23 23 LYS H H 29 8.416 7.932 0.484 1 1 216 . 21 1 1 A 23 23 LYS HA H 29 3.962 4.558 -0.596 1 1 225 . 21 1 1 A 23 23 LYS C C 29 177.409 175.892 1.517 1 1 226 . 21 1 1 A 23 23 LYS CA C 29 56.254 55.419 0.835 1 1 227 . 21 1 1 A 23 23 LYS CB C 29 31.950 33.105 -1.155 1 1 231 . 21 1 1 A 23 23 LYS N N 29 121.925 120.148 1.777 1 1 232 . 21 1 1 A 24 24 GLY H H 30 8.612 7.820 0.792 1 1 233 . 21 1 1 A 24 24 GLY HA2 H 30 3.655 4.233 -0.578 1 1 234 . 21 1 1 A 24 24 GLY HA3 H 30 3.519 4.264 -0.745 1 1 235 . 21 1 1 A 24 24 GLY CA C 30 44.788 46.021 -1.233 1 1 236 . 21 1 1 A 24 24 GLY N N 30 111.487 108.746 2.741 1 1 237 . 21 1 1 A 25 25 LEU H H 31 8.054 8.413 -0.359 1 1 238 . 21 1 1 A 25 25 LEU HA H 31 3.770 4.650 -0.880 1 1 248 . 21 1 1 A 25 25 LEU CA C 31 55.906 54.682 1.224 1 1 249 . 21 1 1 A 25 25 LEU CB C 31 44.428 43.386 1.042 1 1 253 . 21 1 1 A 25 25 LEU N N 31 127.196 123.685 3.511 1 1 254 . 21 1 1 A 26 26 GLN H H 32 9.184 8.978 0.206 1 1 255 . 21 1 1 A 26 26 GLN HA H 32 3.437 4.631 -1.194 1 1 262 . 21 1 1 A 26 26 GLN C C 32 174.347 174.681 -0.334 1 1 263 . 21 1 1 A 26 26 GLN CA C 32 57.926 55.477 2.449 1 1 264 . 21 1 1 A 26 26 GLN CB C 32 27.721 30.247 -2.526 1 1 266 . 21 1 1 A 26 26 GLN N N 32 131.782 123.899 7.883 1 1 268 . 21 1 1 A 27 27 SER H H 33 7.240 7.709 -0.469 1 1 269 . 21 1 1 A 27 27 SER HA H 33 4.981 5.060 -0.079 1 1 272 . 21 1 1 A 27 27 SER C C 33 171.111 172.050 -0.939 1 1 273 . 21 1 1 A 27 27 SER CA C 33 56.782 57.525 -0.743 1 1 274 . 21 1 1 A 27 27 SER CB C 33 64.611 65.603 -0.992 1 1 275 . 21 1 1 A 27 27 SER N N 33 108.936 113.483 -4.547 1 1 276 . 21 1 1 A 28 28 LEU H H 34 8.010 8.606 -0.596 1 1 277 . 21 1 1 A 28 28 LEU HA H 34 4.372 5.232 -0.860 1 1 287 . 21 1 1 A 28 28 LEU C C 34 174.697 175.271 -0.574 1 1 288 . 21 1 1 A 28 28 LEU CA C 34 53.332 52.657 0.675 1 1 289 . 21 1 1 A 28 28 LEU CB C 34 45.636 45.960 -0.324 1 1 293 . 21 1 1 A 28 28 LEU N N 34 121.826 118.780 3.046 1 1 294 . 21 1 1 A 29 29 THR H H 35 8.810 8.831 -0.021 1 1 295 . 21 1 1 A 29 29 THR HA H 35 4.046 4.652 -0.606 1 1 300 . 21 1 1 A 29 29 THR C C 35 172.792 174.461 -1.669 1 1 301 . 21 1 1 A 29 29 THR CA C 35 62.565 62.839 -0.274 1 1 302 . 21 1 1 A 29 29 THR CB C 35 68.233 69.572 -1.339 1 1 304 . 21 1 1 A 29 29 THR N N 35 123.892 116.925 6.967 1 1 305 . 21 1 1 A 30 30 LEU H H 36 8.662 8.567 0.095 1 1 306 . 21 1 1 A 30 30 LEU HA H 36 4.150 4.758 -0.608 1 1 316 . 21 1 1 A 30 30 LEU C C 36 174.707 176.665 -1.958 1 1 317 . 21 1 1 A 30 30 LEU CA C 36 53.789 54.320 -0.531 1 1 318 . 21 1 1 A 30 30 LEU CB C 36 40.562 41.650 -1.088 1 1 322 . 21 1 1 A 30 30 LEU N N 36 128.365 126.222 2.143 1 1 323 . 21 1 1 A 31 31 ASP H H 37 8.500 8.457 0.043 1 1 324 . 21 1 1 A 31 31 ASP HA H 37 4.837 5.048 -0.211 1 1 327 . 21 1 1 A 31 31 ASP CA C 37 54.657 53.250 1.407 1 1 328 . 21 1 1 A 31 31 ASP CB C 37 43.089 42.142 0.947 1 1 329 . 21 1 1 A 31 31 ASP N N 37 123.194 120.730 2.464 1 1 330 . 21 1 1 A 32 32 GLN H H 38 10.453 8.176 2.277 1 1 331 . 21 1 1 A 32 32 GLN HA H 38 3.808 4.501 -0.693 1 1 338 . 21 1 1 A 32 32 GLN C C 38 178.535 177.924 0.611 1 1 339 . 21 1 1 A 32 32 GLN CA C 38 56.284 56.308 -0.024 1 1 340 . 21 1 1 A 32 32 GLN CB C 38 28.175 29.751 -1.576 1 1 342 . 21 1 1 A 32 32 GLN N N 38 120.692 118.487 2.205 1 1 344 . 21 1 1 A 33 33 SER H H 39 8.523 8.087 0.436 1 1 345 . 21 1 1 A 33 33 SER HA H 39 4.081 4.400 -0.319 1 1 348 . 21 1 1 A 33 33 SER C C 39 171.792 174.280 -2.488 1 1 349 . 21 1 1 A 33 33 SER CA C 39 61.436 60.953 0.483 1 1 350 . 21 1 1 A 33 33 SER CB C 39 63.008 63.953 -0.945 1 1 351 . 21 1 1 A 33 33 SER N N 39 111.712 113.027 -1.315 1 1 352 . 21 1 1 A 34 34 VAL H H 40 6.691 7.832 -1.141 1 1 353 . 21 1 1 A 34 34 VAL HA H 40 3.890 4.839 -0.949 1 1 361 . 21 1 1 A 34 34 VAL C C 40 172.251 174.343 -2.092 1 1 362 . 21 1 1 A 34 34 VAL CA C 40 60.415 59.706 0.709 1 1 363 . 21 1 1 A 34 34 VAL CB C 40 32.306 35.863 -3.557 1 1 366 . 21 1 1 A 34 34 VAL N N 40 115.971 118.652 -2.681 1 1 367 . 21 1 1 A 35 35 ARG H H 41 8.184 8.938 -0.754 1 1 368 . 21 1 1 A 35 35 ARG HA H 41 4.176 4.517 -0.341 1 1 375 . 21 1 1 A 35 35 ARG C C 41 176.886 178.017 -1.131 1 1 376 . 21 1 1 A 35 35 ARG CA C 41 55.599 55.256 0.343 1 1 377 . 21 1 1 A 35 35 ARG CB C 41 30.569 31.347 -0.778 1 1 380 . 21 1 1 A 35 35 ARG N N 41 125.397 125.270 0.127 1 1 381 . 21 1 1 A 36 36 LYS H H 42 8.493 8.656 -0.163 1 1 382 . 21 1 1 A 36 36 LYS HA H 42 3.778 4.026 -0.248 1 1 391 . 21 1 1 A 36 36 LYS C C 42 176.596 178.117 -1.521 1 1 392 . 21 1 1 A 36 36 LYS CA C 42 58.687 58.849 -0.162 1 1 393 . 21 1 1 A 36 36 LYS CB C 42 31.959 31.892 0.067 1 1 397 . 21 1 1 A 36 36 LYS N N 42 119.360 122.288 -2.928 1 1 398 . 21 1 1 A 37 37 ASN H H 43 8.513 7.858 0.655 1 1 399 . 21 1 1 A 37 37 ASN HA H 43 4.438 4.711 -0.273 1 1 404 . 21 1 1 A 37 37 ASN C C 43 173.867 175.023 -1.156 1 1 405 . 21 1 1 A 37 37 ASN CA C 43 55.127 54.681 0.446 1 1 406 . 21 1 1 A 37 37 ASN CB C 43 37.071 39.252 -2.181 1 1 407 . 21 1 1 A 37 37 ASN N N 43 115.488 115.701 -0.213 1 1 409 . 21 1 1 A 38 38 GLU H H 44 7.793 7.722 0.071 1 1 410 . 21 1 1 A 38 38 GLU HA H 44 4.772 4.531 0.241 1 1 413 . 21 1 1 A 38 38 GLU C C 44 175.262 175.314 -0.052 1 1 414 . 21 1 1 A 38 38 GLU CA C 44 54.808 55.947 -1.139 1 1 415 . 21 1 1 A 38 38 GLU CB C 44 32.321 31.197 1.124 1 1 416 . 21 1 1 A 38 38 GLU N N 44 118.734 119.638 -0.904 1 1 417 . 21 1 1 A 39 39 LYS H H 45 8.706 8.216 0.490 1 1 418 . 21 1 1 A 39 39 LYS HA H 45 4.606 5.241 -0.635 1 1 427 . 21 1 1 A 39 39 LYS C C 45 174.312 175.203 -0.891 1 1 428 . 21 1 1 A 39 39 LYS CA C 45 52.782 54.783 -2.001 1 1 429 . 21 1 1 A 39 39 LYS CB C 45 35.174 36.092 -0.918 1 1 433 . 21 1 1 A 39 39 LYS N N 45 117.132 124.616 -7.484 1 1 434 . 21 1 1 A 40 40 LEU H H 46 9.085 8.955 0.130 1 1 435 . 21 1 1 A 40 40 LEU HA H 46 5.044 5.303 -0.259 1 1 442 . 21 1 1 A 40 40 LEU C C 46 173.778 174.384 -0.606 1 1 443 . 21 1 1 A 40 40 LEU CA C 46 52.590 52.365 0.225 1 1 444 . 21 1 1 A 40 40 LEU CB C 46 44.855 46.086 -1.231 1 1 447 . 21 1 1 A 40 40 LEU N N 46 125.335 121.730 3.605 1 1 448 . 21 1 1 A 41 41 LYS H H 47 9.263 8.660 0.603 1 1 449 . 21 1 1 A 41 41 LYS HA H 47 5.049 5.202 -0.153 1 1 458 . 21 1 1 A 41 41 LYS C C 47 175.616 173.891 1.725 1 1 459 . 21 1 1 A 41 41 LYS CA C 47 53.864 54.488 -0.624 1 1 460 . 21 1 1 A 41 41 LYS CB C 47 32.986 36.059 -3.073 1 1 464 . 21 1 1 A 41 41 LYS N N 47 129.833 119.616 10.217 1 1 465 . 21 1 1 A 42 42 LEU H H 48 8.954 9.008 -0.054 1 1 466 . 21 1 1 A 42 42 LEU HA H 48 5.458 5.147 0.311 1 1 476 . 21 1 1 A 42 42 LEU C C 48 175.565 174.696 0.869 1 1 477 . 21 1 1 A 42 42 LEU CA C 48 51.964 53.619 -1.655 1 1 478 . 21 1 1 A 42 42 LEU CB C 48 44.393 46.139 -1.746 1 1 482 . 21 1 1 A 42 42 LEU N N 48 126.292 127.005 -0.713 1 1 483 . 21 1 1 A 43 43 ALA H H 49 8.804 8.905 -0.101 1 1 484 . 21 1 1 A 43 43 ALA HA H 49 5.304 5.335 -0.031 1 1 488 . 21 1 1 A 43 43 ALA C C 49 176.301 175.784 0.517 1 1 489 . 21 1 1 A 43 43 ALA CA C 49 51.004 51.154 -0.150 1 1 490 . 21 1 1 A 43 43 ALA CB C 49 23.453 23.896 -0.443 1 1 491 . 21 1 1 A 43 43 ALA N N 49 120.789 127.030 -6.241 1 1 492 . 21 1 1 A 44 44 ALA H H 50 8.117 8.612 -0.495 1 1 493 . 21 1 1 A 44 44 ALA HA H 50 4.485 4.553 -0.068 1 1 497 . 21 1 1 A 44 44 ALA C C 50 176.254 176.769 -0.515 1 1 498 . 21 1 1 A 44 44 ALA CA C 50 53.021 51.709 1.312 1 1 499 . 21 1 1 A 44 44 ALA CB C 50 23.682 22.005 1.677 1 1 500 . 21 1 1 A 44 44 ALA N N 50 120.678 119.936 0.742 1 1 501 . 21 1 1 A 45 45 GLN H H 51 9.035 9.355 -0.320 1 1 502 . 21 1 1 A 45 45 GLN HA H 51 3.774 3.916 -0.142 1 1 509 . 21 1 1 A 45 45 GLN C C 51 175.259 174.961 0.298 1 1 510 . 21 1 1 A 45 45 GLN CA C 51 56.074 56.707 -0.633 1 1 511 . 21 1 1 A 45 45 GLN CB C 51 27.339 27.616 -0.277 1 1 513 . 21 1 1 A 45 45 GLN N N 51 116.299 122.993 -6.694 1 1 515 . 21 1 1 A 46 46 GLY H H 52 8.441 8.585 -0.144 1 1 516 . 21 1 1 A 46 46 GLY HA2 H 52 4.066 3.805 0.261 1 1 517 . 21 1 1 A 46 46 GLY HA3 H 52 3.510 3.806 -0.296 1 1 518 . 21 1 1 A 46 46 GLY C C 52 173.050 173.742 -0.692 1 1 519 . 21 1 1 A 46 46 GLY CA C 52 44.998 45.373 -0.375 1 1 520 . 21 1 1 A 46 46 GLY N N 52 105.419 105.491 -0.072 1 1 521 . 21 1 1 A 47 47 ALA H H 53 8.152 7.607 0.545 1 1 522 . 21 1 1 A 47 47 ALA HA H 53 4.767 4.808 -0.041 1 1 526 . 21 1 1 A 47 47 ALA C C 53 175.989 176.572 -0.583 1 1 527 . 21 1 1 A 47 47 ALA CA C 53 49.918 50.903 -0.985 1 1 528 . 21 1 1 A 47 47 ALA CB C 53 22.720 22.108 0.612 1 1 529 . 21 1 1 A 47 47 ALA N N 53 124.355 122.949 1.406 1 1 530 . 21 1 1 A 48 48 GLU H H 54 8.156 9.157 -1.001 1 1 531 . 21 1 1 A 48 48 GLU HA H 54 5.488 5.372 0.116 1 1 536 . 21 1 1 A 48 48 GLU C C 54 174.224 173.807 0.417 1 1 537 . 21 1 1 A 48 48 GLU CA C 54 54.346 54.660 -0.314 1 1 538 . 21 1 1 A 48 48 GLU CB C 54 34.305 33.769 0.536 1 1 540 . 21 1 1 A 48 48 GLU N N 54 116.655 116.594 0.061 1 1 541 . 21 1 1 A 49 49 LYS H H 55 8.852 9.110 -0.258 1 1 542 . 21 1 1 A 49 49 LYS HA H 55 4.190 4.837 -0.647 1 1 549 . 21 1 1 A 49 49 LYS C C 55 172.887 175.109 -2.222 1 1 550 . 21 1 1 A 49 49 LYS CA C 55 56.414 54.640 1.774 1 1 551 . 21 1 1 A 49 49 LYS CB C 55 34.723 35.815 -1.092 1 1 554 . 21 1 1 A 49 49 LYS N N 55 122.922 120.887 2.035 1 1 555 . 21 1 1 A 50 50 THR H H 56 7.910 8.329 -0.419 1 1 556 . 21 1 1 A 50 50 THR HA H 56 4.908 4.850 0.058 1 1 561 . 21 1 1 A 50 50 THR C C 56 173.112 173.508 -0.396 1 1 562 . 21 1 1 A 50 50 THR CA C 56 61.998 60.974 1.024 1 1 563 . 21 1 1 A 50 50 THR CB C 56 68.596 70.177 -1.581 1 1 565 . 21 1 1 A 50 50 THR N N 56 120.811 115.858 4.953 1 1 566 . 21 1 1 A 51 51 TYR H H 57 9.432 9.013 0.419 1 1 567 . 21 1 1 A 51 51 TYR HA H 57 4.493 5.195 -0.702 1 1 574 . 21 1 1 A 51 51 TYR C C 57 174.156 175.337 -1.181 1 1 575 . 21 1 1 A 51 51 TYR CA C 57 57.375 55.849 1.526 1 1 576 . 21 1 1 A 51 51 TYR CB C 57 41.895 43.005 -1.110 1 1 577 . 21 1 1 A 51 51 TYR N N 57 127.372 121.065 6.307 1 1 578 . 21 1 1 A 52 52 GLY H H 58 9.154 8.407 0.747 1 1 579 . 21 1 1 A 52 52 GLY HA2 H 58 3.543 4.224 -0.681 1 1 580 . 21 1 1 A 52 52 GLY HA3 H 58 3.543 4.232 -0.689 1 1 581 . 21 1 1 A 52 52 GLY C C 58 172.527 173.647 -1.120 1 1 582 . 21 1 1 A 52 52 GLY CA C 58 42.304 45.942 -3.638 1 1 583 . 21 1 1 A 52 52 GLY N N 58 108.920 109.035 -0.115 1 1 584 . 21 1 1 A 53 53 ASN H H 59 8.877 8.848 0.029 1 1 585 . 21 1 1 A 53 53 ASN HA H 59 4.034 4.364 -0.330 1 1 588 . 21 1 1 A 53 53 ASN C C 59 176.319 174.641 1.678 1 1 589 . 21 1 1 A 53 53 ASN CA C 59 57.108 54.047 3.061 1 1 590 . 21 1 1 A 53 53 ASN CB C 59 39.672 37.390 2.282 1 1 591 . 21 1 1 A 53 53 ASN N N 59 117.281 121.243 -3.962 1 1 592 . 21 1 1 A 54 54 GLY H H 60 8.949 8.681 0.268 1 1 593 . 21 1 1 A 54 54 GLY HA2 H 60 4.222 3.975 0.247 1 1 594 . 21 1 1 A 54 54 GLY HA3 H 60 3.348 3.985 -0.637 1 1 595 . 21 1 1 A 54 54 GLY C C 60 174.096 173.192 0.904 1 1 596 . 21 1 1 A 54 54 GLY CA C 60 44.931 46.019 -1.088 1 1 597 . 21 1 1 A 54 54 GLY N N 60 114.860 104.990 9.870 1 1 598 . 21 1 1 A 55 55 ASP H H 61 7.991 8.108 -0.117 1 1 599 . 21 1 1 A 55 55 ASP HA H 61 4.493 4.962 -0.469 1 1 602 . 21 1 1 A 55 55 ASP C C 61 174.727 173.985 0.742 1 1 603 . 21 1 1 A 55 55 ASP CA C 61 54.408 52.009 2.399 1 1 604 . 21 1 1 A 55 55 ASP CB C 61 41.780 43.194 -1.414 1 1 605 . 21 1 1 A 55 55 ASP N N 61 121.974 124.211 -2.237 1 1 606 . 21 1 1 A 56 56 SER H H 62 8.485 8.554 -0.069 1 1 607 . 21 1 1 A 56 56 SER HA H 62 4.959 5.258 -0.299 1 1 610 . 21 1 1 A 56 56 SER C C 62 173.099 172.374 0.725 1 1 611 . 21 1 1 A 56 56 SER CA C 62 57.154 56.933 0.221 1 1 612 . 21 1 1 A 56 56 SER CB C 62 64.522 66.303 -1.781 1 1 613 . 21 1 1 A 56 56 SER N N 62 113.088 114.702 -1.614 1 1 614 . 21 1 1 A 57 57 LEU H H 63 9.004 8.846 0.158 1 1 615 . 21 1 1 A 57 57 LEU HA H 63 4.500 4.783 -0.283 1 1 625 . 21 1 1 A 57 57 LEU C C 63 175.943 176.519 -0.576 1 1 626 . 21 1 1 A 57 57 LEU CA C 63 53.070 54.598 -1.528 1 1 627 . 21 1 1 A 57 57 LEU CB C 63 43.800 42.688 1.112 1 1 630 . 21 1 1 A 57 57 LEU N N 63 126.423 127.205 -0.782 1 1 631 . 21 1 1 A 58 58 ASN H H 64 8.484 8.815 -0.331 1 1 632 . 21 1 1 A 58 58 ASN HA H 64 4.752 4.756 -0.004 1 1 635 . 21 1 1 A 58 58 ASN C C 64 173.916 175.983 -2.067 1 1 636 . 21 1 1 A 58 58 ASN CA C 64 50.587 54.089 -3.502 1 1 637 . 21 1 1 A 58 58 ASN CB C 64 35.153 38.874 -3.721 1 1 638 . 21 1 1 A 58 58 ASN N N 64 125.624 125.545 0.079 1 1 639 . 21 1 1 A 59 59 THR H H 65 7.747 8.526 -0.779 1 1 640 . 21 1 1 A 59 59 THR HA H 65 4.770 4.642 0.128 1 1 645 . 21 1 1 A 59 59 THR C C 65 177.245 174.596 2.649 1 1 646 . 21 1 1 A 59 59 THR CA C 65 63.213 61.811 1.402 1 1 647 . 21 1 1 A 59 59 THR CB C 65 63.510 71.040 -7.530 1 1 649 . 21 1 1 A 59 59 THR N N 65 113.770 112.010 1.760 1 1 650 . 21 1 1 A 60 60 GLY H H 66 8.869 8.455 0.414 1 1 651 . 21 1 1 A 60 60 GLY HA2 H 66 3.839 4.002 -0.163 1 1 652 . 21 1 1 A 60 60 GLY HA3 H 66 3.724 4.002 -0.278 1 1 653 . 21 1 1 A 60 60 GLY C C 66 173.279 174.504 -1.225 1 1 654 . 21 1 1 A 60 60 GLY CA C 66 44.892 44.891 0.001 1 1 655 . 21 1 1 A 60 60 GLY N N 66 114.430 110.798 3.632 1 1 656 . 21 1 1 A 61 61 LYS H H 67 6.376 8.346 -1.970 1 1 657 . 21 1 1 A 61 61 LYS HA H 67 4.021 4.207 -0.186 1 1 666 . 21 1 1 A 61 61 LYS C C 67 176.315 176.672 -0.357 1 1 667 . 21 1 1 A 61 61 LYS CA C 67 54.298 57.105 -2.807 1 1 668 . 21 1 1 A 61 61 LYS CB C 67 32.200 31.435 0.765 1 1 672 . 21 1 1 A 61 61 LYS N N 67 112.620 119.970 -7.350 1 1 673 . 21 1 1 A 62 62 LEU H H 68 7.335 7.488 -0.153 1 1 674 . 21 1 1 A 62 62 LEU HA H 68 4.275 4.279 -0.004 1 1 684 . 21 1 1 A 62 62 LEU C C 68 176.306 177.691 -1.385 1 1 685 . 21 1 1 A 62 62 LEU CA C 68 52.479 54.654 -2.175 1 1 686 . 21 1 1 A 62 62 LEU CB C 68 40.600 41.493 -0.893 1 1 689 . 21 1 1 A 62 62 LEU N N 68 116.704 122.401 -5.697 1 1 690 . 21 1 1 A 63 63 LYS H H 69 8.506 8.500 0.006 1 1 691 . 21 1 1 A 63 63 LYS HA H 69 3.992 4.422 -0.430 1 1 700 . 21 1 1 A 63 63 LYS C C 69 175.886 176.733 -0.847 1 1 701 . 21 1 1 A 63 63 LYS CA C 69 54.986 57.127 -2.141 1 1 702 . 21 1 1 A 63 63 LYS CB C 69 32.447 32.325 0.122 1 1 706 . 21 1 1 A 63 63 LYS N N 69 119.841 121.823 -1.982 1 1 707 . 21 1 1 A 64 64 ASN H H 70 8.080 7.721 0.359 1 1 708 . 21 1 1 A 64 64 ASN HA H 70 3.839 4.762 -0.923 1 1 713 . 21 1 1 A 64 64 ASN C C 70 174.449 174.290 0.159 1 1 714 . 21 1 1 A 64 64 ASN CA C 70 54.417 52.870 1.547 1 1 715 . 21 1 1 A 64 64 ASN CB C 70 38.129 38.686 -0.557 1 1 716 . 21 1 1 A 64 64 ASN N N 70 121.515 117.594 3.921 1 1 718 . 21 1 1 A 65 65 ASP H H 71 9.218 7.978 1.240 1 1 719 . 21 1 1 A 65 65 ASP HA H 71 3.690 4.388 -0.698 1 1 722 . 21 1 1 A 65 65 ASP C C 71 173.016 174.694 -1.678 1 1 723 . 21 1 1 A 65 65 ASP CA C 71 54.726 55.406 -0.680 1 1 724 . 21 1 1 A 65 65 ASP CB C 71 38.534 39.179 -0.645 1 1 725 . 21 1 1 A 65 65 ASP N N 71 113.370 117.593 -4.223 1 1 726 . 21 1 1 A 66 66 LYS H H 72 6.443 7.343 -0.900 1 1 727 . 21 1 1 A 66 66 LYS HA H 72 4.411 4.807 -0.396 1 1 734 . 21 1 1 A 66 66 LYS C C 72 174.745 174.777 -0.032 1 1 735 . 21 1 1 A 66 66 LYS CA C 72 53.094 54.378 -1.284 1 1 736 . 21 1 1 A 66 66 LYS CB C 72 36.099 35.859 0.240 1 1 739 . 21 1 1 A 66 66 LYS N N 72 113.415 113.833 -0.418 1 1 740 . 21 1 1 A 67 67 VAL H H 73 8.679 8.283 0.396 1 1 741 . 21 1 1 A 67 67 VAL HA H 73 4.189 4.130 0.059 1 1 749 . 21 1 1 A 67 67 VAL C C 73 176.630 175.356 1.274 1 1 750 . 21 1 1 A 67 67 VAL CA C 73 62.135 60.931 1.204 1 1 751 . 21 1 1 A 67 67 VAL CB C 73 32.001 32.182 -0.181 1 1 753 . 21 1 1 A 67 67 VAL N N 73 122.098 118.303 3.795 1 1 754 . 21 1 1 A 68 68 SER H H 74 9.497 8.825 0.672 1 1 755 . 21 1 1 A 68 68 SER HA H 74 4.507 4.663 -0.156 1 1 758 . 21 1 1 A 68 68 SER C C 74 172.249 174.232 -1.983 1 1 759 . 21 1 1 A 68 68 SER CA C 74 58.323 58.322 0.001 1 1 760 . 21 1 1 A 68 68 SER CB C 74 64.028 63.974 0.054 1 1 761 . 21 1 1 A 68 68 SER N N 74 127.048 123.779 3.269 1 1 762 . 21 1 1 A 69 69 ARG H H 75 7.848 8.304 -0.456 1 1 763 . 21 1 1 A 69 69 ARG HA H 75 5.031 4.817 0.214 1 1 770 . 21 1 1 A 69 69 ARG C C 75 173.300 175.451 -2.151 1 1 771 . 21 1 1 A 69 69 ARG CA C 75 55.337 55.279 0.058 1 1 772 . 21 1 1 A 69 69 ARG CB C 75 31.871 31.566 0.305 1 1 775 . 21 1 1 A 69 69 ARG N N 75 122.621 122.449 0.172 1 1 776 . 21 1 1 A 70 70 PHE H H 76 9.246 8.789 0.457 1 1 777 . 21 1 1 A 70 70 PHE HA H 76 4.808 4.944 -0.136 1 1 784 . 21 1 1 A 70 70 PHE C C 76 175.788 174.603 1.185 1 1 785 . 21 1 1 A 70 70 PHE CA C 76 55.245 56.599 -1.354 1 1 786 . 21 1 1 A 70 70 PHE CB C 76 43.645 43.276 0.369 1 1 787 . 21 1 1 A 70 70 PHE N N 76 118.087 120.528 -2.441 1 1 788 . 21 1 1 A 71 71 ASP H H 77 9.144 9.280 -0.136 1 1 789 . 21 1 1 A 71 71 ASP HA H 77 5.360 5.367 -0.007 1 1 792 . 21 1 1 A 71 71 ASP C C 77 176.477 175.109 1.368 1 1 793 . 21 1 1 A 71 71 ASP CA C 77 55.131 53.427 1.704 1 1 794 . 21 1 1 A 71 71 ASP CB C 77 41.301 43.291 -1.990 1 1 795 . 21 1 1 A 71 71 ASP N N 77 123.565 121.977 1.588 1 1 796 . 21 1 1 A 72 72 PHE H H 78 9.094 9.093 0.001 1 1 797 . 21 1 1 A 72 72 PHE HA H 78 6.431 5.349 1.082 1 1 805 . 21 1 1 A 72 72 PHE C C 78 174.014 173.601 0.413 1 1 806 . 21 1 1 A 72 72 PHE CA C 78 54.934 56.249 -1.315 1 1 807 . 21 1 1 A 72 72 PHE CB C 78 42.491 42.748 -0.257 1 1 808 . 21 1 1 A 72 72 PHE N N 78 119.663 123.655 -3.992 1 1 809 . 21 1 1 A 73 73 ILE H H 79 8.623 8.554 0.069 1 1 810 . 21 1 1 A 73 73 ILE HA H 79 4.334 4.980 -0.646 1 1 820 . 21 1 1 A 73 73 ILE C C 79 173.961 174.863 -0.902 1 1 821 . 21 1 1 A 73 73 ILE CA C 79 61.222 59.788 1.434 1 1 822 . 21 1 1 A 73 73 ILE CB C 79 41.918 42.375 -0.457 1 1 826 . 21 1 1 A 73 73 ILE N N 79 119.750 126.642 -6.892 1 1 827 . 21 1 1 A 74 74 ARG H H 80 9.052 8.452 0.600 1 1 828 . 21 1 1 A 74 74 ARG HA H 80 5.311 4.960 0.351 1 1 835 . 21 1 1 A 74 74 ARG C C 80 174.870 175.172 -0.302 1 1 836 . 21 1 1 A 74 74 ARG CA C 80 54.449 54.741 -0.292 1 1 837 . 21 1 1 A 74 74 ARG CB C 80 33.740 33.044 0.696 1 1 840 . 21 1 1 A 74 74 ARG N N 80 128.407 125.822 2.585 1 1 841 . 21 1 1 A 75 75 GLN H H 81 9.304 8.270 1.034 1 1 842 . 21 1 1 A 75 75 GLN HA H 81 5.562 4.907 0.655 1 1 849 . 21 1 1 A 75 75 GLN C C 81 173.678 173.947 -0.269 1 1 850 . 21 1 1 A 75 75 GLN CA C 81 53.745 55.561 -1.816 1 1 851 . 21 1 1 A 75 75 GLN CB C 81 34.013 32.470 1.543 1 1 853 . 21 1 1 A 75 75 GLN N N 81 125.481 122.070 3.411 1 1 855 . 21 1 1 A 76 76 ILE H H 82 8.592 8.638 -0.046 1 1 856 . 21 1 1 A 76 76 ILE HA H 82 4.576 4.683 -0.107 1 1 866 . 21 1 1 A 76 76 ILE C C 82 172.511 174.473 -1.962 1 1 867 . 21 1 1 A 76 76 ILE CA C 82 59.622 59.275 0.347 1 1 868 . 21 1 1 A 76 76 ILE CB C 82 42.248 41.005 1.243 1 1 872 . 21 1 1 A 76 76 ILE N N 82 115.536 124.565 -9.029 1 1 873 . 21 1 1 A 77 77 GLU H H 83 8.433 8.366 0.067 1 1 874 . 21 1 1 A 77 77 GLU HA H 83 4.936 4.763 0.173 1 1 879 . 21 1 1 A 77 77 GLU C C 83 175.614 176.033 -0.419 1 1 880 . 21 1 1 A 77 77 GLU CA C 83 54.812 56.479 -1.667 1 1 881 . 21 1 1 A 77 77 GLU CB C 83 30.465 30.283 0.182 1 1 883 . 21 1 1 A 77 77 GLU N N 83 124.858 125.665 -0.807 1 1 884 . 21 1 1 A 78 78 VAL H H 84 8.879 8.913 -0.034 1 1 885 . 21 1 1 A 78 78 VAL HA H 84 4.076 4.449 -0.373 1 1 893 . 21 1 1 A 78 78 VAL C C 84 175.694 176.031 -0.337 1 1 894 . 21 1 1 A 78 78 VAL CA C 84 61.382 61.170 0.212 1 1 895 . 21 1 1 A 78 78 VAL CB C 84 34.014 32.733 1.281 1 1 897 . 21 1 1 A 78 78 VAL N N 84 126.973 124.023 2.950 1 1 898 . 21 1 1 A 79 79 ASP H H 85 9.329 9.467 -0.138 1 1 899 . 21 1 1 A 79 79 ASP HA H 85 4.156 4.294 -0.138 1 1 902 . 21 1 1 A 79 79 ASP C C 85 175.774 175.673 0.101 1 1 903 . 21 1 1 A 79 79 ASP CA C 85 55.125 55.484 -0.359 1 1 904 . 21 1 1 A 79 79 ASP CB C 85 38.926 39.618 -0.692 1 1 905 . 21 1 1 A 79 79 ASP N N 85 129.387 129.673 -0.286 1 1 906 . 21 1 1 A 80 80 GLY H H 86 8.575 8.468 0.107 1 1 907 . 21 1 1 A 80 80 GLY HA2 H 86 3.992 3.823 0.169 1 1 908 . 21 1 1 A 80 80 GLY HA3 H 86 3.507 3.824 -0.317 1 1 909 . 21 1 1 A 80 80 GLY C C 86 173.366 173.774 -0.408 1 1 910 . 21 1 1 A 80 80 GLY CA C 86 44.759 45.365 -0.606 1 1 911 . 21 1 1 A 80 80 GLY N N 86 103.293 104.165 -0.872 1 1 912 . 21 1 1 A 81 81 GLN H H 87 7.751 8.087 -0.336 1 1 913 . 21 1 1 A 81 81 GLN HA H 87 4.482 4.507 -0.025 1 1 918 . 21 1 1 A 81 81 GLN C C 87 173.874 175.299 -1.425 1 1 919 . 21 1 1 A 81 81 GLN CA C 87 53.328 55.184 -1.856 1 1 920 . 21 1 1 A 81 81 GLN CB C 87 30.670 30.096 0.574 1 1 922 . 21 1 1 A 81 81 GLN N N 87 119.688 119.748 -0.060 1 1 923 . 21 1 1 A 82 82 LEU H H 88 8.418 8.655 -0.237 1 1 924 . 21 1 1 A 82 82 LEU HA H 88 4.630 4.558 0.072 1 1 934 . 21 1 1 A 82 82 LEU C C 88 176.289 176.024 0.265 1 1 935 . 21 1 1 A 82 82 LEU CA C 88 53.834 54.517 -0.683 1 1 936 . 21 1 1 A 82 82 LEU CB C 88 41.737 41.352 0.385 1 1 940 . 21 1 1 A 82 82 LEU N N 88 123.523 124.661 -1.138 1 1 941 . 21 1 1 A 83 83 ILE H H 89 9.146 8.973 0.173 1 1 942 . 21 1 1 A 83 83 ILE HA H 89 4.249 4.831 -0.582 1 1 952 . 21 1 1 A 83 83 ILE C C 89 175.698 174.684 1.014 1 1 953 . 21 1 1 A 83 83 ILE CA C 89 59.363 59.821 -0.458 1 1 954 . 21 1 1 A 83 83 ILE CB C 89 39.633 40.368 -0.735 1 1 958 . 21 1 1 A 83 83 ILE N N 89 127.151 125.675 1.476 1 1 959 . 21 1 1 A 84 84 THR H H 90 8.656 8.707 -0.051 1 1 960 . 21 1 1 A 84 84 THR HA H 90 4.203 4.517 -0.314 1 1 965 . 21 1 1 A 84 84 THR C C 90 172.890 173.912 -1.022 1 1 966 . 21 1 1 A 84 84 THR CA C 90 62.641 61.682 0.959 1 1 967 . 21 1 1 A 84 84 THR CB C 90 68.634 68.047 0.587 1 1 969 . 21 1 1 A 84 84 THR N N 90 123.099 120.913 2.186 1 1 970 . 21 1 1 A 85 85 LEU H H 91 8.967 8.439 0.528 1 1 971 . 21 1 1 A 85 85 LEU HA H 91 4.256 4.426 -0.170 1 1 980 . 21 1 1 A 85 85 LEU C C 91 177.371 176.835 0.536 1 1 981 . 21 1 1 A 85 85 LEU CA C 91 55.527 54.256 1.271 1 1 982 . 21 1 1 A 85 85 LEU CB C 91 44.315 43.476 0.839 1 1 984 . 21 1 1 A 85 85 LEU N N 91 125.333 128.944 -3.611 1 1 985 . 21 1 1 A 86 86 GLU H H 92 7.503 8.694 -1.191 1 1 986 . 21 1 1 A 86 86 GLU HA H 92 5.026 4.797 0.229 1 1 991 . 21 1 1 A 86 86 GLU C C 92 172.723 175.353 -2.630 1 1 992 . 21 1 1 A 86 86 GLU CA C 92 54.670 55.251 -0.581 1 1 993 . 21 1 1 A 86 86 GLU CB C 92 33.717 31.649 2.068 1 1 995 . 21 1 1 A 86 86 GLU N N 92 116.655 121.165 -4.510 1 1 996 . 21 1 1 A 87 87 SER H H 93 8.954 8.566 0.388 1 1 997 . 21 1 1 A 87 87 SER HA H 93 4.245 5.538 -1.293 1 1 1000 . 21 1 1 A 87 87 SER C C 93 172.763 173.226 -0.463 1 1 1001 . 21 1 1 A 87 87 SER CA C 93 57.328 56.550 0.778 1 1 1002 . 21 1 1 A 87 87 SER CB C 93 65.493 66.209 -0.716 1 1 1003 . 21 1 1 A 87 87 SER N N 93 117.941 115.956 1.985 1 1 1004 . 21 1 1 A 88 88 GLY H H 94 6.932 8.541 -1.609 1 1 1005 . 21 1 1 A 88 88 GLY HA2 H 94 3.694 4.403 -0.709 1 1 1006 . 21 1 1 A 88 88 GLY HA3 H 94 3.694 4.410 -0.716 1 1 1007 . 21 1 1 A 88 88 GLY C C 94 171.117 172.180 -1.063 1 1 1008 . 21 1 1 A 88 88 GLY CA C 94 46.575 46.173 0.402 1 1 1009 . 21 1 1 A 88 88 GLY N N 94 108.625 111.002 -2.377 1 1 1010 . 21 1 1 A 89 89 GLU H H 95 9.669 8.862 0.807 1 1 1011 . 21 1 1 A 89 89 GLU HA H 95 5.642 5.245 0.397 1 1 1016 . 21 1 1 A 89 89 GLU C C 95 173.226 175.562 -2.336 1 1 1017 . 21 1 1 A 89 89 GLU CA C 95 54.786 54.695 0.091 1 1 1018 . 21 1 1 A 89 89 GLU CB C 95 34.334 33.581 0.753 1 1 1020 . 21 1 1 A 89 89 GLU N N 95 128.231 120.927 7.304 1 1 1021 . 21 1 1 A 90 90 PHE H H 96 10.365 8.963 1.402 1 1 1022 . 21 1 1 A 90 90 PHE HA H 96 5.048 4.677 0.371 1 1 1029 . 21 1 1 A 90 90 PHE C C 96 173.039 172.896 0.143 1 1 1030 . 21 1 1 A 90 90 PHE CA C 96 54.616 58.083 -3.467 1 1 1031 . 21 1 1 A 90 90 PHE CB C 96 42.090 42.079 0.011 1 1 1032 . 21 1 1 A 90 90 PHE N N 96 131.583 122.668 8.915 1 1 1033 . 21 1 1 A 91 91 GLN H H 97 8.685 8.763 -0.078 1 1 1034 . 21 1 1 A 91 91 GLN HA H 97 4.959 4.942 0.017 1 1 1041 . 21 1 1 A 91 91 GLN C C 97 174.151 174.675 -0.524 1 1 1042 . 21 1 1 A 91 91 GLN CA C 97 53.174 54.715 -1.541 1 1 1043 . 21 1 1 A 91 91 GLN CB C 97 28.812 30.888 -2.076 1 1 1045 . 21 1 1 A 91 91 GLN N N 97 126.465 127.823 -1.358 1 1 1047 . 21 1 1 A 92 92 VAL H H 98 8.675 8.850 -0.175 1 1 1048 . 21 1 1 A 92 92 VAL HA H 98 4.569 4.616 -0.047 1 1 1056 . 21 1 1 A 92 92 VAL C C 98 173.802 174.111 -0.309 1 1 1057 . 21 1 1 A 92 92 VAL CA C 98 59.715 61.264 -1.549 1 1 1058 . 21 1 1 A 92 92 VAL CB C 98 35.074 33.827 1.247 1 1 1061 . 21 1 1 A 92 92 VAL N N 98 118.841 126.390 -7.549 1 1 1062 . 21 1 1 A 93 93 TYR H H 99 8.896 9.080 -0.184 1 1 1063 . 21 1 1 A 93 93 TYR HA H 99 4.940 4.590 0.350 1 1 1070 . 21 1 1 A 93 93 TYR C C 99 173.330 174.249 -0.919 1 1 1071 . 21 1 1 A 93 93 TYR CA C 99 56.948 56.579 0.369 1 1 1072 . 21 1 1 A 93 93 TYR CB C 99 40.780 38.821 1.959 1 1 1073 . 21 1 1 A 93 93 TYR N N 99 127.563 128.992 -1.429 1 1 1074 . 21 1 1 A 94 94 LYS H H 100 5.813 8.944 -3.131 1 1 1075 . 21 1 1 A 94 94 LYS HA H 100 4.248 4.542 -0.294 1 1 1082 . 21 1 1 A 94 94 LYS CA C 100 55.660 55.264 0.396 1 1 1083 . 21 1 1 A 94 94 LYS CB C 100 35.870 31.435 4.435 1 1 1084 . 21 1 1 A 94 94 LYS N N 100 128.378 129.402 -1.024 1 1 1085 . 21 1 1 A 95 95 GLN H H 101 8.438 7.998 0.440 1 1 1086 . 21 1 1 A 95 95 GLN HA H 101 5.028 4.541 0.487 1 1 1091 . 21 1 1 A 95 95 GLN C C 101 174.080 177.332 -3.252 1 1 1092 . 21 1 1 A 95 95 GLN CA C 101 54.043 55.615 -1.572 1 1 1093 . 21 1 1 A 95 95 GLN CB C 101 27.209 29.908 -2.699 1 1 1095 . 21 1 1 A 95 95 GLN N N 101 125.809 126.172 -0.363 1 1 1096 . 21 1 1 A 96 96 SER H H 102 9.057 8.839 0.218 1 1 1097 . 21 1 1 A 96 96 SER HA H 102 3.041 4.189 -1.148 1 1 1100 . 21 1 1 A 96 96 SER CA C 102 62.985 61.093 1.892 1 1 1101 . 21 1 1 A 96 96 SER CB C 102 63.242 62.899 0.343 1 1 1102 . 21 1 1 A 96 96 SER N N 102 117.650 118.431 -0.781 1 1 1103 . 21 1 1 A 97 97 HIS H H 103 10.115 8.356 1.759 1 1 1104 . 21 1 1 A 97 97 HIS HA H 103 4.406 4.736 -0.330 1 1 1109 . 21 1 1 A 97 97 HIS CA C 103 53.809 56.614 -2.805 1 1 1110 . 21 1 1 A 97 97 HIS CB C 103 30.329 31.840 -1.511 1 1 1111 . 21 1 1 A 97 97 HIS N N 103 118.385 116.198 2.187 1 1 1112 . 21 1 1 A 98 98 SER H H 104 7.241 8.331 -1.090 1 1 1113 . 21 1 1 A 98 98 SER HA H 104 4.406 4.406 0.000 1 1 1116 . 21 1 1 A 98 98 SER CA C 104 56.712 57.520 -0.808 1 1 1117 . 21 1 1 A 98 98 SER CB C 104 65.461 61.050 4.411 1 1 1118 . 21 1 1 A 98 98 SER N N 104 112.298 113.845 -1.547 1 1 1119 . 21 1 1 A 99 99 ALA H H 105 8.418 8.112 0.306 1 1 1120 . 21 1 1 A 99 99 ALA HA H 105 4.753 5.235 -0.482 1 1 1124 . 21 1 1 A 99 99 ALA C C 105 173.181 177.178 -3.997 1 1 1125 . 21 1 1 A 99 99 ALA CA C 105 51.363 50.754 0.609 1 1 1126 . 21 1 1 A 99 99 ALA CB C 105 22.271 20.526 1.745 1 1 1127 . 21 1 1 A 99 99 ALA N N 105 116.790 126.797 -10.007 1 1 1128 . 21 1 1 A 100 100 LEU H H 106 8.376 8.941 -0.565 1 1 1129 . 21 1 1 A 100 100 LEU HA H 106 5.549 5.330 0.219 1 1 1139 . 21 1 1 A 100 100 LEU C C 106 175.338 174.873 0.465 1 1 1140 . 21 1 1 A 100 100 LEU CA C 106 53.753 52.992 0.761 1 1 1141 . 21 1 1 A 100 100 LEU CB C 106 46.393 46.328 0.065 1 1 1145 . 21 1 1 A 100 100 LEU N N 106 115.214 119.734 -4.520 1 1 1146 . 21 1 1 A 101 101 THR H H 107 8.685 8.423 0.262 1 1 1147 . 21 1 1 A 101 101 THR HA H 107 5.287 5.149 0.138 1 1 1152 . 21 1 1 A 101 101 THR C C 107 172.493 172.421 0.072 1 1 1153 . 21 1 1 A 101 101 THR CA C 107 57.069 59.348 -2.279 1 1 1154 . 21 1 1 A 101 101 THR CB C 107 71.308 72.224 -0.916 1 1 1156 . 21 1 1 A 101 101 THR N N 107 109.441 115.250 -5.809 1 1 1157 . 21 1 1 A 102 102 ALA H H 108 8.459 8.010 0.449 1 1 1158 . 21 1 1 A 102 102 ALA HA H 108 4.366 5.144 -0.778 1 1 1162 . 21 1 1 A 102 102 ALA C C 108 173.439 175.987 -2.548 1 1 1163 . 21 1 1 A 102 102 ALA CA C 108 51.015 51.053 -0.038 1 1 1164 . 21 1 1 A 102 102 ALA CB C 108 23.424 23.632 -0.208 1 1 1165 . 21 1 1 A 102 102 ALA N N 108 120.716 125.902 -5.186 1 1 1166 . 21 1 1 A 103 103 PHE H H 109 8.510 9.001 -0.491 1 1 1167 . 21 1 1 A 103 103 PHE HA H 109 4.715 5.225 -0.510 1 1 1175 . 21 1 1 A 103 103 PHE C C 109 174.173 174.738 -0.565 1 1 1176 . 21 1 1 A 103 103 PHE CA C 109 56.640 56.555 0.085 1 1 1177 . 21 1 1 A 103 103 PHE CB C 109 41.926 41.864 0.062 1 1 1178 . 21 1 1 A 103 103 PHE N N 109 115.041 119.081 -4.040 1 1 1179 . 21 1 1 A 104 104 GLN H H 110 9.832 8.628 1.204 1 1 1180 . 21 1 1 A 104 104 GLN HA H 110 5.226 4.873 0.353 1 1 1187 . 21 1 1 A 104 104 GLN C C 110 175.186 173.876 1.310 1 1 1188 . 21 1 1 A 104 104 GLN CA C 110 53.213 54.705 -1.492 1 1 1189 . 21 1 1 A 104 104 GLN CB C 110 29.161 32.167 -3.006 1 1 1191 . 21 1 1 A 104 104 GLN N N 110 124.526 120.643 3.883 1 1 1193 . 21 1 1 A 105 105 THR H H 111 9.566 8.618 0.948 1 1 1194 . 21 1 1 A 105 105 THR HA H 111 4.186 5.112 -0.926 1 1 1199 . 21 1 1 A 105 105 THR C C 111 174.538 172.765 1.773 1 1 1200 . 21 1 1 A 105 105 THR CA C 111 66.408 59.879 6.529 1 1 1201 . 21 1 1 A 105 105 THR CB C 111 69.385 71.310 -1.925 1 1 1203 . 21 1 1 A 105 105 THR N N 111 126.760 119.093 7.667 1 1 1204 . 21 1 1 A 106 106 GLU H H 112 9.303 8.735 0.568 1 1 1205 . 21 1 1 A 106 106 GLU HA H 112 4.811 4.688 0.123 1 1 1210 . 21 1 1 A 106 106 GLU C C 112 177.397 175.967 1.430 1 1 1211 . 21 1 1 A 106 106 GLU CA C 112 56.227 56.511 -0.284 1 1 1212 . 21 1 1 A 106 106 GLU CB C 112 31.283 31.913 -0.630 1 1 1214 . 21 1 1 A 106 106 GLU N N 112 121.685 124.305 -2.620 1 1 1215 . 21 1 1 A 107 107 GLN H H 113 7.954 7.981 -0.027 1 1 1216 . 21 1 1 A 107 107 GLN HA H 113 5.233 5.006 0.227 1 1 1221 . 21 1 1 A 107 107 GLN C C 113 173.999 174.036 -0.037 1 1 1222 . 21 1 1 A 107 107 GLN CA C 113 53.837 54.555 -0.718 1 1 1223 . 21 1 1 A 107 107 GLN CB C 113 32.543 32.182 0.361 1 1 1225 . 21 1 1 A 107 107 GLN N N 113 117.612 116.094 1.518 1 1 1226 . 21 1 1 A 108 108 ILE H H 114 8.969 8.559 0.410 1 1 1227 . 21 1 1 A 108 108 ILE HA H 114 4.907 4.773 0.134 1 1 1237 . 21 1 1 A 108 108 ILE C C 114 174.089 173.931 0.158 1 1 1238 . 21 1 1 A 108 108 ILE CA C 114 58.954 59.103 -0.149 1 1 1239 . 21 1 1 A 108 108 ILE CB C 114 42.799 41.559 1.240 1 1 1243 . 21 1 1 A 108 108 ILE N N 114 115.049 121.331 -6.282 1 1 1244 . 21 1 1 A 109 109 GLN H H 115 7.421 8.682 -1.261 1 1 1245 . 21 1 1 A 109 109 GLN HA H 115 4.405 4.405 0.000 1 1 1252 . 21 1 1 A 109 109 GLN C C 115 175.654 174.707 0.947 1 1 1253 . 21 1 1 A 109 109 GLN CA C 115 56.086 54.756 1.330 1 1 1254 . 21 1 1 A 109 109 GLN CB C 115 28.483 29.172 -0.689 1 1 1256 . 21 1 1 A 109 109 GLN N N 115 121.959 123.202 -1.243 1 1 1258 . 21 1 1 A 110 110 ASP H H 116 8.569 8.515 0.054 1 1 1259 . 21 1 1 A 110 110 ASP HA H 116 4.377 4.979 -0.602 1 1 1262 . 21 1 1 A 110 110 ASP C C 116 176.662 176.760 -0.098 1 1 1263 . 21 1 1 A 110 110 ASP CA C 116 53.511 52.669 0.842 1 1 1264 . 21 1 1 A 110 110 ASP CB C 116 41.187 41.887 -0.700 1 1 1265 . 21 1 1 A 110 110 ASP N N 116 125.621 122.235 3.386 1 1 1266 . 21 1 1 A 111 111 SER H H 117 8.445 9.048 -0.603 1 1 1267 . 21 1 1 A 111 111 SER HA H 117 4.024 4.372 -0.348 1 1 1270 . 21 1 1 A 111 111 SER C C 117 174.783 174.214 0.569 1 1 1271 . 21 1 1 A 111 111 SER CA C 117 60.782 59.568 1.214 1 1 1272 . 21 1 1 A 111 111 SER CB C 117 62.560 62.402 0.158 1 1 1273 . 21 1 1 A 111 111 SER N N 117 120.732 120.594 0.138 1 1 1274 . 21 1 1 A 112 112 GLU H H 118 8.246 7.991 0.255 1 1 1275 . 21 1 1 A 112 112 GLU HA H 118 4.044 4.499 -0.455 1 1 1280 . 21 1 1 A 112 112 GLU C C 118 175.899 176.329 -0.430 1 1 1281 . 21 1 1 A 112 112 GLU CA C 118 56.016 56.427 -0.411 1 1 1282 . 21 1 1 A 112 112 GLU CB C 118 29.853 31.713 -1.860 1 1 1284 . 21 1 1 A 112 112 GLU N N 118 119.367 119.420 -0.053 1 1 1285 . 21 1 1 A 113 113 HIS H H 119 7.418 7.762 -0.344 1 1 1286 . 21 1 1 A 113 113 HIS HA H 119 4.607 4.817 -0.210 1 1 1291 . 21 1 1 A 113 113 HIS C C 119 173.527 175.250 -1.723 1 1 1292 . 21 1 1 A 113 113 HIS CA C 119 54.515 55.151 -0.636 1 1 1293 . 21 1 1 A 113 113 HIS CB C 119 28.667 30.744 -2.077 1 1 1294 . 21 1 1 A 113 113 HIS N N 119 117.287 119.122 -1.835 1 1 1295 . 21 1 1 A 114 114 SER H H 120 8.398 8.188 0.210 1 1 1296 . 21 1 1 A 114 114 SER HA H 120 4.183 4.409 -0.226 1 1 1299 . 21 1 1 A 114 114 SER C C 120 175.690 174.570 1.120 1 1 1300 . 21 1 1 A 114 114 SER CA C 120 59.149 59.799 -0.650 1 1 1301 . 21 1 1 A 114 114 SER CB C 120 62.820 61.324 1.496 1 1 1302 . 21 1 1 A 114 114 SER N N 120 116.771 115.307 1.464 1 1 1303 . 21 1 1 A 115 115 GLY H H 121 8.733 8.530 0.203 1 1 1304 . 21 1 1 A 115 115 GLY HA2 H 121 4.052 4.070 -0.018 1 1 1305 . 21 1 1 A 115 115 GLY HA3 H 121 3.724 4.074 -0.350 1 1 1306 . 21 1 1 A 115 115 GLY C C 121 173.540 173.513 0.027 1 1 1307 . 21 1 1 A 115 115 GLY CA C 121 44.692 45.685 -0.993 1 1 1308 . 21 1 1 A 115 115 GLY N N 121 112.197 107.448 4.749 1 1 1309 . 21 1 1 A 116 116 LYS H H 122 7.796 7.567 0.229 1 1 1310 . 21 1 1 A 116 116 LYS HA H 122 4.465 4.821 -0.356 1 1 1317 . 21 1 1 A 116 116 LYS C C 122 175.090 174.833 0.257 1 1 1318 . 21 1 1 A 116 116 LYS CA C 122 55.122 54.354 0.768 1 1 1319 . 21 1 1 A 116 116 LYS CB C 122 33.861 35.818 -1.957 1 1 1322 . 21 1 1 A 116 116 LYS N N 122 120.212 118.200 2.012 1 1 1323 . 21 1 1 A 117 117 MET H H 123 8.348 8.673 -0.325 1 1 1324 . 21 1 1 A 117 117 MET HA H 123 5.082 4.945 0.137 1 1 1332 . 21 1 1 A 117 117 MET C C 123 176.210 174.216 1.994 1 1 1333 . 21 1 1 A 117 117 MET CA C 123 52.928 54.339 -1.411 1 1 1334 . 21 1 1 A 117 117 MET CB C 123 33.841 35.848 -2.007 1 1 1337 . 21 1 1 A 117 117 MET N N 123 119.755 119.811 -0.056 1 1 1338 . 21 1 1 A 118 118 VAL H H 124 9.242 9.078 0.164 1 1 1339 . 21 1 1 A 118 118 VAL HA H 124 4.469 4.978 -0.509 1 1 1347 . 21 1 1 A 118 118 VAL C C 124 173.967 173.879 0.088 1 1 1348 . 21 1 1 A 118 118 VAL CA C 124 59.056 59.192 -0.136 1 1 1349 . 21 1 1 A 118 118 VAL CB C 124 34.376 36.155 -1.779 1 1 1351 . 21 1 1 A 118 118 VAL N N 124 118.546 119.693 -1.147 1 1 1352 . 21 1 1 A 119 119 ALA H H 125 8.327 8.837 -0.510 1 1 1353 . 21 1 1 A 119 119 ALA HA H 125 4.624 5.342 -0.718 1 1 1357 . 21 1 1 A 119 119 ALA C C 125 177.165 176.366 0.799 1 1 1358 . 21 1 1 A 119 119 ALA CA C 125 52.043 50.372 1.671 1 1 1359 . 21 1 1 A 119 119 ALA CB C 125 18.232 20.440 -2.208 1 1 1360 . 21 1 1 A 119 119 ALA N N 125 125.947 125.068 0.879 1 1 1361 . 21 1 1 A 120 120 LYS H H 126 7.604 8.755 -1.151 1 1 1362 . 21 1 1 A 120 120 LYS HA H 126 4.046 4.872 -0.826 1 1 1371 . 21 1 1 A 120 120 LYS C C 126 172.631 175.495 -2.864 1 1 1372 . 21 1 1 A 120 120 LYS CA C 126 56.023 54.689 1.334 1 1 1373 . 21 1 1 A 120 120 LYS CB C 126 34.482 35.389 -0.907 1 1 1377 . 21 1 1 A 120 120 LYS N N 126 126.149 122.531 3.618 1 1 1378 . 21 1 1 A 121 121 ARG H H 127 8.308 8.522 -0.214 1 1 1379 . 21 1 1 A 121 121 ARG HA H 127 4.901 4.660 0.241 1 1 1384 . 21 1 1 A 121 121 ARG C C 127 176.253 175.105 1.148 1 1 1385 . 21 1 1 A 121 121 ARG CA C 127 55.564 55.303 0.261 1 1 1386 . 21 1 1 A 121 121 ARG CB C 127 28.273 29.032 -0.759 1 1 1388 . 21 1 1 A 121 121 ARG N N 127 122.760 125.451 -2.691 1 1 1389 . 21 1 1 A 122 122 GLN H H 128 7.529 8.873 -1.344 1 1 1390 . 21 1 1 A 122 122 GLN HA H 128 4.541 4.445 0.096 1 1 1397 . 21 1 1 A 122 122 GLN C C 128 172.163 174.549 -2.386 1 1 1398 . 21 1 1 A 122 122 GLN CA C 128 54.218 55.049 -0.831 1 1 1399 . 21 1 1 A 122 122 GLN CB C 128 32.064 27.837 4.227 1 1 1401 . 21 1 1 A 122 122 GLN N N 128 121.022 126.673 -5.651 1 1 1403 . 21 1 1 A 123 123 PHE H H 129 8.620 8.935 -0.315 1 1 1404 . 21 1 1 A 123 123 PHE HA H 129 6.040 5.077 0.963 1 1 1411 . 21 1 1 A 123 123 PHE C C 129 174.530 174.139 0.391 1 1 1412 . 21 1 1 A 123 123 PHE CA C 129 56.026 56.411 -0.385 1 1 1413 . 21 1 1 A 123 123 PHE CB C 129 42.143 40.110 2.033 1 1 1414 . 21 1 1 A 123 123 PHE N N 129 125.540 127.867 -2.327 1 1 1415 . 21 1 1 A 124 124 ARG H H 130 8.018 9.035 -1.017 1 1 1416 . 21 1 1 A 124 124 ARG HA H 130 4.366 4.633 -0.267 1 1 1423 . 21 1 1 A 124 124 ARG C C 130 172.139 175.399 -3.260 1 1 1424 . 21 1 1 A 124 124 ARG CA C 130 53.422 53.965 -0.543 1 1 1425 . 21 1 1 A 124 124 ARG CB C 130 32.310 32.882 -0.572 1 1 1428 . 21 1 1 A 124 124 ARG N N 130 125.264 127.051 -1.787 1 1 1429 . 21 1 1 A 125 125 ILE H H 131 8.462 8.091 0.371 1 1 1430 . 21 1 1 A 125 125 ILE HA H 131 3.883 4.341 -0.458 1 1 1440 . 21 1 1 A 125 125 ILE C C 131 175.487 175.397 0.090 1 1 1441 . 21 1 1 A 125 125 ILE CA C 131 58.339 61.788 -3.449 1 1 1442 . 21 1 1 A 125 125 ILE CB C 131 35.673 39.105 -3.432 1 1 1446 . 21 1 1 A 125 125 ILE N N 131 121.887 124.775 -2.888 1 1 1447 . 21 1 1 A 126 126 GLY H H 132 8.814 8.061 0.753 1 1 1448 . 21 1 1 A 126 126 GLY HA2 H 132 4.062 4.296 -0.234 1 1 1449 . 21 1 1 A 126 126 GLY HA3 H 132 4.062 4.333 -0.271 1 1 1450 . 21 1 1 A 126 126 GLY C C 132 171.583 172.905 -1.322 1 1 1451 . 21 1 1 A 126 126 GLY CA C 132 44.157 44.120 0.037 1 1 1452 . 21 1 1 A 126 126 GLY N N 132 115.675 114.919 0.756 1 1 1453 . 21 1 1 A 127 127 ASP H H 133 7.914 8.509 -0.595 1 1 1454 . 21 1 1 A 127 127 ASP HA H 133 4.584 4.727 -0.143 1 1 1457 . 21 1 1 A 127 127 ASP C C 133 174.132 175.599 -1.467 1 1 1458 . 21 1 1 A 127 127 ASP CA C 133 54.822 54.494 0.328 1 1 1459 . 21 1 1 A 127 127 ASP CB C 133 45.407 41.923 3.484 1 1 1460 . 21 1 1 A 127 127 ASP N N 133 123.737 119.342 4.395 1 1 1461 . 21 1 1 A 128 128 ILE H H 134 8.258 8.435 -0.177 1 1 1462 . 21 1 1 A 128 128 ILE HA H 134 4.392 5.005 -0.613 1 1 1472 . 21 1 1 A 128 128 ILE C C 134 174.799 175.017 -0.218 1 1 1473 . 21 1 1 A 128 128 ILE CA C 134 61.596 59.947 1.649 1 1 1474 . 21 1 1 A 128 128 ILE CB C 134 37.549 40.850 -3.301 1 1 1478 . 21 1 1 A 128 128 ILE N N 134 119.105 120.464 -1.359 1 1 1479 . 21 1 1 A 129 129 ALA H H 135 8.607 8.546 0.061 1 1 1480 . 21 1 1 A 129 129 ALA HA H 135 4.757 5.417 -0.660 1 1 1484 . 21 1 1 A 129 129 ALA C C 135 173.358 176.343 -2.985 1 1 1485 . 21 1 1 A 129 129 ALA CA C 135 50.608 50.620 -0.012 1 1 1486 . 21 1 1 A 129 129 ALA CB C 135 23.348 22.962 0.386 1 1 1487 . 21 1 1 A 129 129 ALA N N 135 129.336 129.293 0.043 1 1 1488 . 21 1 1 A 130 130 GLY H H 136 7.514 8.603 -1.089 1 1 1489 . 21 1 1 A 130 130 GLY HA2 H 136 3.551 4.328 -0.777 1 1 1490 . 21 1 1 A 130 130 GLY HA3 H 136 4.422 4.466 -0.044 1 1 1491 . 21 1 1 A 130 130 GLY C C 136 172.609 173.062 -0.453 1 1 1492 . 21 1 1 A 130 130 GLY CA C 136 44.315 45.685 -1.370 1 1 1493 . 21 1 1 A 130 130 GLY N N 136 101.232 107.801 -6.569 1 1 1494 . 21 1 1 A 131 131 GLU H H 137 8.225 8.585 -0.360 1 1 1495 . 21 1 1 A 131 131 GLU HA H 137 4.540 4.567 -0.027 1 1 1500 . 21 1 1 A 131 131 GLU C C 137 174.864 176.138 -1.274 1 1 1501 . 21 1 1 A 131 131 GLU CA C 137 53.120 57.096 -3.976 1 1 1502 . 21 1 1 A 131 131 GLU CB C 137 28.254 30.192 -1.938 1 1 1504 . 21 1 1 A 131 131 GLU N N 137 121.002 123.483 -2.481 1 1 1505 . 21 1 1 A 132 132 HIS H H 138 8.054 8.733 -0.679 1 1 1506 . 21 1 1 A 132 132 HIS HA H 138 4.771 5.527 -0.756 1 1 1511 . 21 1 1 A 132 132 HIS C C 138 175.411 174.032 1.379 1 1 1512 . 21 1 1 A 132 132 HIS CA C 138 57.942 53.678 4.264 1 1 1513 . 21 1 1 A 132 132 HIS CB C 138 27.710 31.907 -4.197 1 1 1514 . 21 1 1 A 132 132 HIS N N 138 124.204 119.600 4.604 1 1 1515 . 21 1 1 A 133 133 THR H H 139 9.056 8.862 0.194 1 1 1516 . 21 1 1 A 133 133 THR HA H 139 3.864 4.796 -0.932 1 1 1521 . 21 1 1 A 133 133 THR C C 139 174.178 174.436 -0.258 1 1 1522 . 21 1 1 A 133 133 THR CA C 139 63.225 60.678 2.547 1 1 1523 . 21 1 1 A 133 133 THR CB C 139 68.127 68.909 -0.782 1 1 1525 . 21 1 1 A 133 133 THR N N 139 125.345 113.633 11.712 1 1 1526 . 21 1 1 A 134 134 SER H H 140 8.834 7.840 0.994 1 1 1527 . 21 1 1 A 134 134 SER HA H 140 4.560 4.888 -0.328 1 1 1530 . 21 1 1 A 134 134 SER C C 140 176.713 175.221 1.492 1 1 1531 . 21 1 1 A 134 134 SER CA C 140 57.961 57.309 0.652 1 1 1532 . 21 1 1 A 134 134 SER CB C 140 63.030 63.422 -0.392 1 1 1533 . 21 1 1 A 134 134 SER N N 140 121.791 114.396 7.395 1 1 1534 . 21 1 1 A 135 135 PHE H H 141 9.597 7.946 1.651 1 1 1535 . 21 1 1 A 135 135 PHE HA H 141 3.953 4.267 -0.314 1 1 1542 . 21 1 1 A 135 135 PHE C C 141 175.375 177.058 -1.683 1 1 1543 . 21 1 1 A 135 135 PHE CA C 141 61.339 61.962 -0.623 1 1 1544 . 21 1 1 A 135 135 PHE CB C 141 39.394 39.203 0.191 1 1 1545 . 21 1 1 A 135 135 PHE N N 141 128.822 121.448 7.374 1 1 1546 . 21 1 1 A 136 136 ASP H H 142 8.017 8.539 -0.522 1 1 1547 . 21 1 1 A 136 136 ASP HA H 142 4.352 4.314 0.038 1 1 1550 . 21 1 1 A 136 136 ASP C C 142 175.358 177.007 -1.649 1 1 1551 . 21 1 1 A 136 136 ASP CA C 142 55.223 56.019 -0.796 1 1 1552 . 21 1 1 A 136 136 ASP CB C 142 40.968 40.430 0.538 1 1 1553 . 21 1 1 A 136 136 ASP N N 142 113.108 118.697 -5.589 1 1 1554 . 21 1 1 A 137 137 LYS H H 143 7.340 7.530 -0.190 1 1 1555 . 21 1 1 A 137 137 LYS HA H 143 4.439 4.387 0.052 1 1 1564 . 21 1 1 A 137 137 LYS C C 143 175.571 175.617 -0.046 1 1 1565 . 21 1 1 A 137 137 LYS CA C 143 54.096 56.790 -2.694 1 1 1566 . 21 1 1 A 137 137 LYS CB C 143 32.545 33.144 -0.599 1 1 1570 . 21 1 1 A 137 137 LYS N N 143 117.716 117.425 0.291 1 1 1571 . 21 1 1 A 138 138 LEU H H 144 6.698 7.745 -1.047 1 1 1572 . 21 1 1 A 138 138 LEU HA H 144 3.903 4.619 -0.716 1 1 1582 . 21 1 1 A 138 138 LEU C C 144 174.123 175.166 -1.043 1 1 1583 . 21 1 1 A 138 138 LEU CA C 144 52.843 51.103 1.740 1 1 1584 . 21 1 1 A 138 138 LEU CB C 144 40.993 42.754 -1.761 1 1 1588 . 21 1 1 A 138 138 LEU N N 144 120.536 120.183 0.353 1 1 1589 . 21 1 1 A 139 139 PRO HA H 145 4.040 4.745 -0.705 1 1 1596 . 21 1 1 A 139 139 PRO C C 145 172.700 176.929 -4.229 1 1 1597 . 21 1 1 A 139 139 PRO CA C 145 62.654 62.292 0.362 1 1 1598 . 21 1 1 A 139 139 PRO CB C 145 30.086 32.575 -2.489 1 1 1601 . 21 1 1 A 140 140 GLU H H 146 8.343 8.775 -0.432 1 1 1602 . 21 1 1 A 140 140 GLU HA H 146 3.970 4.619 -0.649 1 1 1607 . 21 1 1 A 140 140 GLU C C 146 176.009 176.965 -0.956 1 1 1608 . 21 1 1 A 140 140 GLU CA C 146 56.119 56.270 -0.151 1 1 1609 . 21 1 1 A 140 140 GLU CB C 146 30.086 29.970 0.116 1 1 1611 . 21 1 1 A 140 140 GLU N N 146 119.063 120.078 -1.015 1 1 1612 . 21 1 1 A 141 141 GLY H H 147 7.241 8.330 -1.089 1 1 1613 . 21 1 1 A 141 141 GLY HA2 H 147 3.918 3.682 0.236 1 1 1614 . 21 1 1 A 141 141 GLY HA3 H 147 3.814 3.721 0.093 1 1 1615 . 21 1 1 A 141 141 GLY C C 147 171.657 174.583 -2.926 1 1 1616 . 21 1 1 A 141 141 GLY CA C 147 43.929 46.919 -2.990 1 1 1617 . 21 1 1 A 141 141 GLY N N 147 104.270 109.538 -5.268 1 1 1618 . 21 1 1 A 142 142 GLY H H 148 8.241 7.668 0.573 1 1 1619 . 21 1 1 A 142 142 GLY HA2 H 148 3.710 4.185 -0.475 1 1 1620 . 21 1 1 A 142 142 GLY HA3 H 148 4.350 4.210 0.140 1 1 1621 . 21 1 1 A 142 142 GLY C C 148 171.767 172.671 -0.904 1 1 1622 . 21 1 1 A 142 142 GLY CA C 148 43.649 45.526 -1.877 1 1 1623 . 21 1 1 A 142 142 GLY N N 148 106.996 106.957 0.039 1 1 1624 . 21 1 1 A 143 143 ARG H H 149 8.214 8.672 -0.458 1 1 1625 . 21 1 1 A 143 143 ARG HA H 149 5.376 5.466 -0.090 1 1 1632 . 21 1 1 A 143 143 ARG C C 149 174.981 175.310 -0.329 1 1 1633 . 21 1 1 A 143 143 ARG CA C 149 54.235 54.512 -0.277 1 1 1634 . 21 1 1 A 143 143 ARG CB C 149 32.988 32.862 0.126 1 1 1637 . 21 1 1 A 143 143 ARG N N 149 117.762 120.984 -3.222 1 1 1638 . 21 1 1 A 144 144 ALA H H 150 9.030 8.640 0.390 1 1 1639 . 21 1 1 A 144 144 ALA HA H 150 4.730 5.126 -0.396 1 1 1643 . 21 1 1 A 144 144 ALA C C 150 175.012 176.010 -0.998 1 1 1644 . 21 1 1 A 144 144 ALA CA C 150 50.732 50.797 -0.065 1 1 1645 . 21 1 1 A 144 144 ALA CB C 150 23.448 22.038 1.410 1 1 1646 . 21 1 1 A 144 144 ALA N N 150 126.630 121.914 4.716 1 1 1647 . 21 1 1 A 145 145 THR H H 151 8.560 8.449 0.111 1 1 1648 . 21 1 1 A 145 145 THR HA H 151 4.846 4.555 0.291 1 1 1653 . 21 1 1 A 145 145 THR C C 151 171.870 173.077 -1.207 1 1 1654 . 21 1 1 A 145 145 THR CA C 151 61.997 62.202 -0.205 1 1 1655 . 21 1 1 A 145 145 THR CB C 151 69.746 70.076 -0.330 1 1 1657 . 21 1 1 A 145 145 THR N N 151 117.942 118.439 -0.497 1 1 1658 . 21 1 1 A 146 146 TYR H H 152 10.008 9.003 1.005 1 1 1659 . 21 1 1 A 146 146 TYR HA H 152 4.580 5.111 -0.531 1 1 1666 . 21 1 1 A 146 146 TYR C C 152 174.627 174.475 0.152 1 1 1667 . 21 1 1 A 146 146 TYR CA C 152 55.835 56.298 -0.463 1 1 1668 . 21 1 1 A 146 146 TYR CB C 152 40.094 43.113 -3.019 1 1 1669 . 21 1 1 A 146 146 TYR N N 152 126.097 123.254 2.843 1 1 1670 . 21 1 1 A 147 147 ARG H H 153 8.860 8.855 0.005 1 1 1671 . 21 1 1 A 147 147 ARG HA H 153 5.404 5.094 0.310 1 1 1678 . 21 1 1 A 147 147 ARG C C 153 177.446 175.454 1.992 1 1 1679 . 21 1 1 A 147 147 ARG CA C 153 54.024 54.556 -0.532 1 1 1680 . 21 1 1 A 147 147 ARG CB C 153 33.539 32.888 0.651 1 1 1683 . 21 1 1 A 147 147 ARG N N 153 121.042 123.434 -2.392 1 1 1684 . 21 1 1 A 148 148 GLY H H 154 8.916 9.312 -0.396 1 1 1685 . 21 1 1 A 148 148 GLY HA2 H 154 4.816 4.297 0.519 1 1 1686 . 21 1 1 A 148 148 GLY HA3 H 154 4.422 4.299 0.123 1 1 1687 . 21 1 1 A 148 148 GLY C C 154 173.831 171.949 1.882 1 1 1688 . 21 1 1 A 148 148 GLY CA C 154 46.752 44.015 2.737 1 1 1689 . 21 1 1 A 148 148 GLY N N 154 114.154 112.948 1.206 1 1 1690 . 21 1 1 A 149 149 THR H H 155 9.063 8.913 0.150 1 1 1691 . 21 1 1 A 149 149 THR HA H 155 4.711 5.194 -0.483 1 1 1696 . 21 1 1 A 149 149 THR C C 155 170.370 173.266 -2.896 1 1 1697 . 21 1 1 A 149 149 THR CA C 155 62.316 61.317 0.999 1 1 1698 . 21 1 1 A 149 149 THR CB C 155 72.596 71.393 1.203 1 1 1700 . 21 1 1 A 149 149 THR N N 155 126.410 115.495 10.915 1 1 1701 . 21 1 1 A 150 150 ALA H H 156 7.091 8.957 -1.866 1 1 1702 . 21 1 1 A 150 150 ALA HA H 156 5.289 5.388 -0.099 1 1 1706 . 21 1 1 A 150 150 ALA C C 156 173.965 176.730 -2.765 1 1 1707 . 21 1 1 A 150 150 ALA CA C 156 48.843 50.026 -1.183 1 1 1708 . 21 1 1 A 150 150 ALA CB C 156 22.573 21.281 1.292 1 1 1709 . 21 1 1 A 150 150 ALA N N 156 127.540 128.686 -1.146 1 1 1710 . 21 1 1 A 151 151 PHE H H 157 8.536 7.952 0.584 1 1 1711 . 21 1 1 A 151 151 PHE HA H 157 5.442 5.711 -0.269 1 1 1718 . 21 1 1 A 151 151 PHE C C 157 171.891 174.279 -2.388 1 1 1719 . 21 1 1 A 151 151 PHE CA C 157 53.282 55.281 -1.999 1 1 1720 . 21 1 1 A 151 151 PHE CB C 157 41.020 42.126 -1.106 1 1 1721 . 21 1 1 A 151 151 PHE N N 157 117.013 117.589 -0.576 1 1 1722 . 21 1 1 A 152 152 GLY H H 158 8.548 8.456 0.092 1 1 1723 . 21 1 1 A 152 152 GLY HA2 H 158 4.003 3.365 0.638 1 1 1724 . 21 1 1 A 152 152 GLY HA3 H 158 3.124 3.841 -0.717 1 1 1725 . 21 1 1 A 152 152 GLY C C 158 173.148 171.635 1.513 1 1 1726 . 21 1 1 A 152 152 GLY CA C 158 42.630 45.399 -2.769 1 1 1727 . 21 1 1 A 152 152 GLY N N 158 108.356 107.160 1.196 1 1 1728 . 21 1 1 A 153 153 SER H H 159 7.610 7.831 -0.221 1 1 1729 . 21 1 1 A 153 153 SER HA H 159 3.421 4.642 -1.221 1 1 1732 . 21 1 1 A 153 153 SER C C 159 176.057 174.911 1.146 1 1 1733 . 21 1 1 A 153 153 SER CA C 159 58.787 58.800 -0.013 1 1 1734 . 21 1 1 A 153 153 SER CB C 159 61.886 63.080 -1.194 1 1 1735 . 21 1 1 A 153 153 SER N N 159 115.173 114.927 0.246 1 1 1736 . 21 1 1 A 154 154 ASP H H 160 9.894 9.079 0.815 1 1 1737 . 21 1 1 A 154 154 ASP HA H 160 4.168 4.475 -0.307 1 1 1740 . 21 1 1 A 154 154 ASP C C 160 175.191 176.363 -1.172 1 1 1741 . 21 1 1 A 154 154 ASP CA C 160 55.398 55.552 -0.154 1 1 1742 . 21 1 1 A 154 154 ASP CB C 160 39.212 40.785 -1.573 1 1 1743 . 21 1 1 A 154 154 ASP N N 160 124.828 127.986 -3.158 1 1 1744 . 21 1 1 A 155 155 ASP H H 161 7.520 8.079 -0.559 1 1 1745 . 21 1 1 A 155 155 ASP HA H 161 4.568 4.613 -0.045 1 1 1748 . 21 1 1 A 155 155 ASP C C 161 172.658 177.635 -4.977 1 1 1749 . 21 1 1 A 155 155 ASP CA C 161 54.342 55.011 -0.669 1 1 1750 . 21 1 1 A 155 155 ASP CB C 161 40.619 41.403 -0.784 1 1 1751 . 21 1 1 A 155 155 ASP N N 161 116.749 118.227 -1.478 1 1 1752 . 21 1 1 A 156 156 ALA H H 162 8.544 8.098 0.446 1 1 1753 . 21 1 1 A 156 156 ALA HA H 162 4.916 4.400 0.516 1 1 1757 . 21 1 1 A 156 156 ALA C C 162 177.708 179.281 -1.573 1 1 1758 . 21 1 1 A 156 156 ALA CA C 162 49.878 54.242 -4.364 1 1 1759 . 21 1 1 A 156 156 ALA CB C 162 17.473 18.329 -0.856 1 1 1760 . 21 1 1 A 156 156 ALA N N 162 128.246 122.090 6.156 1 1 1761 . 21 1 1 A 157 157 GLY H H 163 8.406 8.419 -0.013 1 1 1762 . 21 1 1 A 157 157 GLY HA2 H 163 4.286 3.997 0.289 1 1 1763 . 21 1 1 A 157 157 GLY HA3 H 163 3.894 4.001 -0.107 1 1 1764 . 21 1 1 A 157 157 GLY C C 163 174.344 174.974 -0.630 1 1 1765 . 21 1 1 A 157 157 GLY CA C 163 45.049 46.907 -1.858 1 1 1766 . 21 1 1 A 157 157 GLY N N 163 106.545 107.283 -0.738 1 1 1767 . 21 1 1 A 158 158 GLY H H 164 7.128 7.849 -0.721 1 1 1768 . 21 1 1 A 158 158 GLY HA2 H 164 4.118 3.973 0.145 1 1 1769 . 21 1 1 A 158 158 GLY HA3 H 164 3.641 3.987 -0.346 1 1 1770 . 21 1 1 A 158 158 GLY C C 164 173.903 172.802 1.101 1 1 1771 . 21 1 1 A 158 158 GLY CA C 164 45.225 45.255 -0.030 1 1 1772 . 21 1 1 A 158 158 GLY N N 164 106.404 107.657 -1.253 1 1 1773 . 21 1 1 A 159 159 LYS H H 165 9.647 8.450 1.197 1 1 1774 . 21 1 1 A 159 159 LYS HA H 165 5.052 4.943 0.109 1 1 1781 . 21 1 1 A 159 159 LYS C C 165 174.390 175.681 -1.291 1 1 1782 . 21 1 1 A 159 159 LYS CA C 165 53.501 54.326 -0.825 1 1 1783 . 21 1 1 A 159 159 LYS CB C 165 34.622 35.691 -1.069 1 1 1786 . 21 1 1 A 159 159 LYS N N 165 123.930 123.750 0.180 1 1 1787 . 21 1 1 A 160 160 LEU H H 166 7.706 8.795 -1.089 1 1 1788 . 21 1 1 A 160 160 LEU HA H 166 4.873 5.127 -0.254 1 1 1798 . 21 1 1 A 160 160 LEU C C 166 174.825 174.888 -0.063 1 1 1799 . 21 1 1 A 160 160 LEU CA C 166 52.677 53.388 -0.711 1 1 1800 . 21 1 1 A 160 160 LEU CB C 166 44.629 46.112 -1.483 1 1 1804 . 21 1 1 A 160 160 LEU N N 166 126.271 119.380 6.891 1 1 1805 . 21 1 1 A 161 161 THR H H 167 8.374 8.831 -0.457 1 1 1806 . 21 1 1 A 161 161 THR HA H 167 4.949 5.038 -0.089 1 1 1811 . 21 1 1 A 161 161 THR C C 167 172.102 172.743 -0.641 1 1 1812 . 21 1 1 A 161 161 THR CA C 167 61.761 61.669 0.092 1 1 1813 . 21 1 1 A 161 161 THR CB C 167 70.169 69.865 0.304 1 1 1815 . 21 1 1 A 161 161 THR N N 167 122.977 116.111 6.866 1 1 1816 . 21 1 1 A 162 162 TYR H H 168 9.174 8.819 0.355 1 1 1817 . 21 1 1 A 162 162 TYR HA H 168 4.766 5.235 -0.469 1 1 1824 . 21 1 1 A 162 162 TYR C C 168 172.249 174.768 -2.519 1 1 1825 . 21 1 1 A 162 162 TYR CA C 168 58.162 56.922 1.240 1 1 1826 . 21 1 1 A 162 162 TYR CB C 168 43.746 41.828 1.918 1 1 1827 . 21 1 1 A 162 162 TYR N N 168 128.112 127.965 0.147 1 1 1828 . 21 1 1 A 163 163 THR H H 169 8.711 8.313 0.398 1 1 1829 . 21 1 1 A 163 163 THR HA H 169 5.402 5.248 0.154 1 1 1834 . 21 1 1 A 163 163 THR C C 169 172.520 171.812 0.708 1 1 1835 . 21 1 1 A 163 163 THR CA C 169 60.804 60.154 0.650 1 1 1836 . 21 1 1 A 163 163 THR CB C 169 70.818 71.753 -0.935 1 1 1838 . 21 1 1 A 163 163 THR N N 169 124.549 120.879 3.670 1 1 1839 . 21 1 1 A 164 164 ILE H H 170 8.927 9.090 -0.163 1 1 1840 . 21 1 1 A 164 164 ILE HA H 170 4.313 5.272 -0.959 1 1 1850 . 21 1 1 A 164 164 ILE C C 170 173.105 173.271 -0.166 1 1 1851 . 21 1 1 A 164 164 ILE CA C 170 60.595 59.467 1.128 1 1 1852 . 21 1 1 A 164 164 ILE CB C 170 41.274 42.042 -0.768 1 1 1856 . 21 1 1 A 164 164 ILE N N 170 123.685 127.224 -3.539 1 1 1857 . 21 1 1 A 165 165 ASP H H 171 8.372 8.726 -0.354 1 1 1858 . 21 1 1 A 165 165 ASP HA H 171 4.750 5.147 -0.397 1 1 1861 . 21 1 1 A 165 165 ASP C C 171 177.213 176.229 0.984 1 1 1862 . 21 1 1 A 165 165 ASP CA C 171 51.669 52.925 -1.256 1 1 1863 . 21 1 1 A 165 165 ASP CB C 171 41.730 41.432 0.298 1 1 1864 . 21 1 1 A 165 165 ASP N N 171 125.168 127.419 -2.251 1 1 1865 . 21 1 1 A 166 166 PHE H H 172 8.968 8.786 0.182 1 1 1866 . 21 1 1 A 166 166 PHE HA H 172 3.879 4.294 -0.415 1 1 1874 . 21 1 1 A 166 166 PHE C C 172 176.940 177.925 -0.985 1 1 1875 . 21 1 1 A 166 166 PHE CA C 172 61.543 60.712 0.831 1 1 1876 . 21 1 1 A 166 166 PHE CB C 172 37.424 38.822 -1.398 1 1 1877 . 21 1 1 A 166 166 PHE N N 172 123.597 121.902 1.695 1 1 1878 . 21 1 1 A 167 167 ALA H H 173 8.266 7.752 0.514 1 1 1879 . 21 1 1 A 167 167 ALA HA H 173 4.322 4.199 0.123 1 1 1883 . 21 1 1 A 167 167 ALA C C 173 178.888 178.211 0.677 1 1 1884 . 21 1 1 A 167 167 ALA CA C 173 54.458 54.359 0.099 1 1 1885 . 21 1 1 A 167 167 ALA CB C 173 17.591 18.361 -0.770 1 1 1886 . 21 1 1 A 167 167 ALA N N 173 122.113 121.526 0.587 1 1 1887 . 21 1 1 A 168 168 ALA H H 174 7.405 7.618 -0.213 1 1 1888 . 21 1 1 A 168 168 ALA HA H 174 4.096 4.407 -0.311 1 1 1892 . 21 1 1 A 168 168 ALA C C 174 176.605 177.128 -0.523 1 1 1893 . 21 1 1 A 168 168 ALA CA C 174 51.225 51.338 -0.113 1 1 1894 . 21 1 1 A 168 168 ALA CB C 174 18.307 19.738 -1.431 1 1 1895 . 21 1 1 A 168 168 ALA N N 174 118.760 120.071 -1.311 1 1 1896 . 21 1 1 A 169 169 LYS H H 175 7.906 7.898 0.008 1 1 1897 . 21 1 1 A 169 169 LYS HA H 175 3.391 3.830 -0.439 1 1 1904 . 21 1 1 A 169 169 LYS C C 175 174.608 174.801 -0.193 1 1 1905 . 21 1 1 A 169 169 LYS CA C 175 57.049 57.531 -0.482 1 1 1906 . 21 1 1 A 169 169 LYS CB C 175 30.051 29.761 0.290 1 1 1909 . 21 1 1 A 169 169 LYS N N 175 114.394 115.616 -1.222 1 1 1910 . 21 1 1 A 170 170 GLN H H 176 7.629 7.168 0.461 1 1 1911 . 21 1 1 A 170 170 GLN HA H 176 5.414 5.083 0.331 1 1 1918 . 21 1 1 A 170 170 GLN C C 176 174.325 174.773 -0.448 1 1 1919 . 21 1 1 A 170 170 GLN CA C 176 54.393 54.154 0.239 1 1 1920 . 21 1 1 A 170 170 GLN CB C 176 34.771 31.312 3.459 1 1 1922 . 21 1 1 A 170 170 GLN N N 176 116.433 117.180 -0.747 1 1 1924 . 21 1 1 A 171 171 GLY H H 177 8.854 8.984 -0.130 1 1 1925 . 21 1 1 A 171 171 GLY HA2 H 177 5.205 4.198 1.007 1 1 1926 . 21 1 1 A 171 171 GLY HA3 H 177 3.526 4.402 -0.876 1 1 1927 . 21 1 1 A 171 171 GLY C C 177 170.842 172.028 -1.186 1 1 1928 . 21 1 1 A 171 171 GLY CA C 177 44.621 44.717 -0.096 1 1 1929 . 21 1 1 A 171 171 GLY N N 177 110.189 110.974 -0.785 1 1 1930 . 21 1 1 A 172 172 ASN H H 178 7.637 8.814 -1.177 1 1 1931 . 21 1 1 A 172 172 ASN HA H 178 4.224 5.365 -1.141 1 1 1936 . 21 1 1 A 172 172 ASN C C 178 171.546 173.403 -1.857 1 1 1937 . 21 1 1 A 172 172 ASN CA C 178 53.729 51.141 2.588 1 1 1938 . 21 1 1 A 172 172 ASN CB C 178 41.543 42.073 -0.530 1 1 1939 . 21 1 1 A 172 172 ASN N N 178 112.667 122.385 -9.718 1 1 1941 . 21 1 1 A 173 173 GLY H H 179 9.103 8.338 0.765 1 1 1942 . 21 1 1 A 173 173 GLY HA2 H 179 4.491 4.249 0.242 1 1 1943 . 21 1 1 A 173 173 GLY HA3 H 179 4.084 4.301 -0.217 1 1 1944 . 21 1 1 A 173 173 GLY C C 179 172.400 171.790 0.610 1 1 1945 . 21 1 1 A 173 173 GLY CA C 179 47.199 46.051 1.148 1 1 1946 . 21 1 1 A 173 173 GLY N N 179 106.686 108.249 -1.563 1 1 1947 . 21 1 1 A 174 174 LYS H H 180 9.179 8.797 0.382 1 1 1948 . 21 1 1 A 174 174 LYS HA H 180 4.821 4.999 -0.178 1 1 1957 . 21 1 1 A 174 174 LYS C C 180 172.518 174.675 -2.157 1 1 1958 . 21 1 1 A 174 174 LYS CA C 180 56.617 55.125 1.492 1 1 1959 . 21 1 1 A 174 174 LYS CB C 180 35.373 35.904 -0.531 1 1 1963 . 21 1 1 A 174 174 LYS N N 180 121.816 116.567 5.249 1 1 1964 . 21 1 1 A 175 175 ILE H H 181 8.351 8.459 -0.108 1 1 1965 . 21 1 1 A 175 175 ILE HA H 181 4.581 4.530 0.051 1 1 1973 . 21 1 1 A 175 175 ILE C C 181 173.997 175.821 -1.824 1 1 1974 . 21 1 1 A 175 175 ILE CA C 181 60.490 60.217 0.273 1 1 1975 . 21 1 1 A 175 175 ILE CB C 181 39.573 38.078 1.495 1 1 1978 . 21 1 1 A 175 175 ILE N N 181 123.400 123.615 -0.215 1 1 1979 . 21 1 1 A 176 176 GLU H H 182 8.492 8.618 -0.126 1 1 1980 . 21 1 1 A 176 176 GLU HA H 182 4.471 4.938 -0.467 1 1 1985 . 21 1 1 A 176 176 GLU C C 182 175.392 175.220 0.172 1 1 1986 . 21 1 1 A 176 176 GLU CA C 182 53.410 56.000 -2.590 1 1 1987 . 21 1 1 A 176 176 GLU CB C 182 35.479 32.789 2.690 1 1 1989 . 21 1 1 A 176 176 GLU N N 182 122.287 125.381 -3.094 1 1 1990 . 21 1 1 A 177 177 HIS H H 183 8.431 8.135 0.296 1 1 1991 . 21 1 1 A 177 177 HIS HA H 183 3.975 4.691 -0.716 1 1 1996 . 21 1 1 A 177 177 HIS C C 183 176.008 174.881 1.127 1 1 1997 . 21 1 1 A 177 177 HIS CA C 183 57.533 55.957 1.576 1 1 1998 . 21 1 1 A 177 177 HIS CB C 183 27.362 32.923 -5.561 1 1 1999 . 21 1 1 A 177 177 HIS N N 183 109.605 125.682 -16.077 1 1 2000 . 21 1 1 A 178 178 LEU H H 184 9.603 7.791 1.812 1 1 2001 . 21 1 1 A 178 178 LEU HA H 184 4.276 4.245 0.031 1 1 2011 . 21 1 1 A 178 178 LEU C C 184 178.805 177.988 0.817 1 1 2012 . 21 1 1 A 178 178 LEU CA C 184 56.034 54.462 1.572 1 1 2013 . 21 1 1 A 178 178 LEU CB C 184 39.882 42.075 -2.193 1 1 2017 . 21 1 1 A 178 178 LEU N N 184 124.374 121.286 3.088 1 1 2018 . 21 1 1 A 179 179 LYS H H 185 10.002 8.800 1.202 1 1 2019 . 21 1 1 A 179 179 LYS HA H 185 3.682 4.070 -0.388 1 1 2028 . 21 1 1 A 179 179 LYS C C 185 177.660 176.483 1.177 1 1 2029 . 21 1 1 A 179 179 LYS CA C 185 57.721 58.752 -1.031 1 1 2030 . 21 1 1 A 179 179 LYS CB C 185 31.949 32.072 -0.123 1 1 2034 . 21 1 1 A 179 179 LYS N N 185 122.880 121.174 1.706 1 1 2035 . 21 1 1 A 180 180 SER H H 186 7.262 7.525 -0.263 1 1 2036 . 21 1 1 A 180 180 SER HA H 186 4.672 4.979 -0.307 1 1 2039 . 21 1 1 A 180 180 SER C C 186 173.086 173.524 -0.438 1 1 2040 . 21 1 1 A 180 180 SER CA C 186 54.576 55.201 -0.625 1 1 2041 . 21 1 1 A 180 180 SER CB C 186 62.715 65.454 -2.739 1 1 2042 . 21 1 1 A 180 180 SER N N 186 115.187 112.338 2.849 1 1 2043 . 21 1 1 A 181 181 PRO HA H 187 3.956 4.295 -0.339 1 1 2050 . 21 1 1 A 181 181 PRO CA C 187 65.359 65.350 0.009 1 1 2051 . 21 1 1 A 181 181 PRO CB C 187 32.061 31.829 0.232 1 1 2054 . 21 1 1 A 182 182 GLU H H 188 8.076 8.508 -0.432 1 1 2055 . 21 1 1 A 182 182 GLU HA H 188 3.011 4.103 -1.092 1 1 2060 . 21 1 1 A 182 182 GLU C C 188 173.944 178.952 -5.008 1 1 2061 . 21 1 1 A 182 182 GLU CA C 188 56.597 58.767 -2.170 1 1 2062 . 21 1 1 A 182 182 GLU CB C 188 29.581 28.885 0.696 1 1 2064 . 21 1 1 A 182 182 GLU N N 188 113.034 117.182 -4.148 1 1 2065 . 21 1 1 A 183 183 LEU H H 189 7.126 7.192 -0.066 1 1 2066 . 21 1 1 A 183 183 LEU HA H 189 3.970 4.212 -0.242 1 1 2076 . 21 1 1 A 183 183 LEU C C 189 175.597 177.267 -1.670 1 1 2077 . 21 1 1 A 183 183 LEU CA C 189 53.849 56.249 -2.400 1 1 2078 . 21 1 1 A 183 183 LEU CB C 189 41.152 42.379 -1.227 1 1 2082 . 21 1 1 A 183 183 LEU N N 189 112.896 119.178 -6.282 1 1 2083 . 21 1 1 A 184 184 ASN H H 190 6.952 7.660 -0.708 1 1 2084 . 21 1 1 A 184 184 ASN HA H 190 4.596 4.702 -0.106 1 1 2089 . 21 1 1 A 184 184 ASN C C 190 175.694 174.785 0.909 1 1 2090 . 21 1 1 A 184 184 ASN CA C 190 53.200 52.880 0.320 1 1 2091 . 21 1 1 A 184 184 ASN CB C 190 36.466 39.498 -3.032 1 1 2092 . 21 1 1 A 184 184 ASN N N 190 117.865 117.177 0.688 1 1 2094 . 21 1 1 A 185 185 VAL H H 191 7.178 8.563 -1.385 1 1 2095 . 21 1 1 A 185 185 VAL HA H 191 4.480 4.647 -0.167 1 1 2103 . 21 1 1 A 185 185 VAL C C 191 174.874 175.718 -0.844 1 1 2104 . 21 1 1 A 185 185 VAL CA C 191 59.753 60.408 -0.655 1 1 2105 . 21 1 1 A 185 185 VAL CB C 191 33.035 33.546 -0.511 1 1 2108 . 21 1 1 A 185 185 VAL N N 191 113.276 118.574 -5.298 1 1 2109 . 21 1 1 A 186 186 ASP H H 192 8.827 8.668 0.159 1 1 2110 . 21 1 1 A 186 186 ASP HA H 192 4.779 4.720 0.059 1 1 2113 . 21 1 1 A 186 186 ASP C C 192 174.919 175.562 -0.643 1 1 2114 . 21 1 1 A 186 186 ASP CA C 192 54.058 54.888 -0.830 1 1 2115 . 21 1 1 A 186 186 ASP CB C 192 41.635 41.470 0.165 1 1 2116 . 21 1 1 A 186 186 ASP N N 192 118.111 122.415 -4.304 1 1 2117 . 21 1 1 A 187 187 LEU H H 193 8.375 8.606 -0.231 1 1 2118 . 21 1 1 A 187 187 LEU HA H 193 4.146 5.250 -1.104 1 1 2127 . 21 1 1 A 187 187 LEU CA C 193 52.331 53.617 -1.286 1 1 2128 . 21 1 1 A 187 187 LEU CB C 193 38.187 45.439 -7.252 1 1 2131 . 21 1 1 A 187 187 LEU N N 193 123.130 123.563 -0.433 1 1 2132 . 21 1 1 A 188 188 ALA H H 194 8.225 8.571 -0.346 1 1 2133 . 21 1 1 A 188 188 ALA HA H 194 4.098 4.629 -0.531 1 1 2137 . 21 1 1 A 188 188 ALA C C 194 176.239 176.847 -0.608 1 1 2138 . 21 1 1 A 188 188 ALA CA C 194 52.498 51.746 0.752 1 1 2139 . 21 1 1 A 188 188 ALA CB C 194 20.030 19.312 0.718 1 1 2140 . 21 1 1 A 188 188 ALA N N 194 126.289 128.599 -2.310 1 1 2141 . 21 1 1 A 189 189 ALA H H 195 8.275 8.337 -0.062 1 1 2142 . 21 1 1 A 189 189 ALA HA H 195 4.862 4.305 0.557 1 1 2146 . 21 1 1 A 189 189 ALA C C 195 178.131 178.258 -0.127 1 1 2147 . 21 1 1 A 189 189 ALA CA C 195 51.822 53.175 -1.353 1 1 2148 . 21 1 1 A 189 189 ALA CB C 195 17.367 19.172 -1.805 1 1 2149 . 21 1 1 A 189 189 ALA N N 195 122.010 126.070 -4.060 1 1 2150 . 21 1 1 A 190 190 ALA H H 196 8.823 8.775 0.048 1 1 2151 . 21 1 1 A 190 190 ALA HA H 196 4.634 5.165 -0.531 1 1 2155 . 21 1 1 A 190 190 ALA C C 196 175.141 175.643 -0.502 1 1 2156 . 21 1 1 A 190 190 ALA CA C 196 50.420 50.513 -0.093 1 1 2157 . 21 1 1 A 190 190 ALA CB C 196 23.461 23.768 -0.307 1 1 2158 . 21 1 1 A 190 190 ALA N N 196 126.018 124.436 1.582 1 1 2159 . 21 1 1 A 191 191 ASP H H 197 8.365 8.767 -0.402 1 1 2160 . 21 1 1 A 191 191 ASP HA H 197 5.160 5.315 -0.155 1 1 2163 . 21 1 1 A 191 191 ASP C C 197 176.028 175.844 0.184 1 1 2164 . 21 1 1 A 191 191 ASP CA C 197 54.034 51.809 2.225 1 1 2165 . 21 1 1 A 191 191 ASP CB C 197 41.691 43.309 -1.618 1 1 2166 . 21 1 1 A 191 191 ASP N N 197 118.646 117.820 0.826 1 1 2167 . 21 1 1 A 192 192 ILE H H 198 7.915 8.552 -0.637 1 1 2168 . 21 1 1 A 192 192 ILE HA H 198 4.315 4.258 0.057 1 1 2178 . 21 1 1 A 192 192 ILE C C 198 174.684 176.891 -2.207 1 1 2179 . 21 1 1 A 192 192 ILE CA C 198 60.951 61.817 -0.866 1 1 2180 . 21 1 1 A 192 192 ILE CB C 198 41.989 37.998 3.991 1 1 2184 . 21 1 1 A 192 192 ILE N N 198 119.664 120.332 -0.668 1 1 2185 . 21 1 1 A 193 193 LYS H H 199 9.175 8.104 1.071 1 1 2186 . 21 1 1 A 193 193 LYS HA H 199 4.530 4.560 -0.030 1 1 2195 . 21 1 1 A 193 193 LYS C C 199 172.639 175.372 -2.733 1 1 2196 . 21 1 1 A 193 193 LYS CA C 199 53.361 54.617 -1.256 1 1 2197 . 21 1 1 A 193 193 LYS CB C 199 34.758 32.517 2.241 1 1 2201 . 21 1 1 A 193 193 LYS N N 199 127.122 125.988 1.134 1 1 2202 . 21 1 1 A 195 195 ASP H H 201 8.390 8.750 -0.360 1 1 2203 . 21 1 1 A 195 195 ASP HA H 201 4.550 4.920 -0.370 1 1 2206 . 21 1 1 A 195 195 ASP C C 201 179.300 174.138 5.162 1 1 2207 . 21 1 1 A 195 195 ASP CA C 201 51.354 53.065 -1.711 1 1 2208 . 21 1 1 A 195 195 ASP CB C 201 40.324 44.160 -3.836 1 1 2209 . 21 1 1 A 195 195 ASP N N 201 123.239 122.501 0.738 1 1 2210 . 21 1 1 A 196 196 GLY HA2 H 202 3.718 3.979 -0.261 1 1 2211 . 21 1 1 A 196 196 GLY HA3 H 202 3.437 3.986 -0.549 1 1 2212 . 21 1 1 A 196 196 GLY CA C 202 46.527 45.348 1.179 1 1 2213 . 21 1 1 A 197 197 LYS H H 203 7.740 7.518 0.222 1 1 2214 . 21 1 1 A 197 197 LYS HA H 203 4.118 4.005 0.113 1 1 2221 . 21 1 1 A 197 197 LYS C C 203 174.941 176.512 -1.571 1 1 2222 . 21 1 1 A 197 197 LYS CA C 203 55.054 58.586 -3.532 1 1 2223 . 21 1 1 A 197 197 LYS CB C 203 31.192 31.520 -0.328 1 1 2226 . 21 1 1 A 197 197 LYS N N 203 120.305 119.414 0.891 1 1 2227 . 21 1 1 A 198 198 ARG H H 204 8.059 7.757 0.302 1 1 2228 . 21 1 1 A 198 198 ARG HA H 204 3.441 4.389 -0.948 1 1 2235 . 21 1 1 A 198 198 ARG C C 204 175.152 175.744 -0.592 1 1 2236 . 21 1 1 A 198 198 ARG CA C 204 56.911 56.643 0.268 1 1 2237 . 21 1 1 A 198 198 ARG CB C 204 26.584 33.272 -6.688 1 1 2240 . 21 1 1 A 198 198 ARG N N 204 111.796 118.036 -6.240 1 1 2241 . 21 1 1 A 199 199 HIS H H 205 8.531 7.484 1.047 1 1 2242 . 21 1 1 A 199 199 HIS HA H 205 4.812 4.845 -0.033 1 1 2247 . 21 1 1 A 199 199 HIS C C 205 174.866 172.608 2.258 1 1 2248 . 21 1 1 A 199 199 HIS CA C 205 53.700 54.780 -1.080 1 1 2249 . 21 1 1 A 199 199 HIS CB C 205 27.838 31.065 -3.227 1 1 2250 . 21 1 1 A 199 199 HIS N N 205 120.255 113.524 6.731 1 1 2251 . 21 1 1 A 200 200 ALA H H 206 8.492 8.408 0.084 1 1 2252 . 21 1 1 A 200 200 ALA HA H 206 4.615 4.674 -0.059 1 1 2256 . 21 1 1 A 200 200 ALA C C 206 175.840 176.352 -0.512 1 1 2257 . 21 1 1 A 200 200 ALA CA C 206 52.247 51.026 1.221 1 1 2258 . 21 1 1 A 200 200 ALA CB C 206 19.838 20.201 -0.363 1 1 2259 . 21 1 1 A 200 200 ALA N N 206 123.237 122.014 1.223 1 1 2260 . 21 1 1 A 201 201 VAL H H 207 9.174 8.371 0.803 1 1 2261 . 21 1 1 A 201 201 VAL HA H 207 4.976 4.637 0.339 1 1 2269 . 21 1 1 A 201 201 VAL C C 207 173.390 174.835 -1.445 1 1 2270 . 21 1 1 A 201 201 VAL CA C 207 60.775 60.548 0.227 1 1 2271 . 21 1 1 A 201 201 VAL CB C 207 35.488 36.067 -0.579 1 1 2274 . 21 1 1 A 201 201 VAL N N 207 123.250 117.680 5.570 1 1 2275 . 21 1 1 A 202 202 ILE H H 208 8.887 8.686 0.201 1 1 2276 . 21 1 1 A 202 202 ILE HA H 208 4.312 4.964 -0.652 1 1 2286 . 21 1 1 A 202 202 ILE C C 208 174.670 174.828 -0.158 1 1 2287 . 21 1 1 A 202 202 ILE CA C 208 60.815 59.780 1.035 1 1 2288 . 21 1 1 A 202 202 ILE CB C 208 41.576 40.622 0.954 1 1 2292 . 21 1 1 A 202 202 ILE N N 208 122.699 126.181 -3.482 1 1 2293 . 21 1 1 A 203 203 SER H H 209 8.416 8.843 -0.427 1 1 2294 . 21 1 1 A 203 203 SER HA H 209 4.913 4.929 -0.016 1 1 2297 . 21 1 1 A 203 203 SER C C 209 172.984 172.890 0.094 1 1 2298 . 21 1 1 A 203 203 SER CA C 209 55.676 56.465 -0.789 1 1 2299 . 21 1 1 A 203 203 SER CB C 209 64.355 64.833 -0.478 1 1 2300 . 21 1 1 A 203 203 SER N N 209 122.067 123.225 -1.158 1 1 2301 . 21 1 1 A 204 204 GLY H H 210 7.292 8.134 -0.842 1 1 2302 . 21 1 1 A 204 204 GLY HA2 H 210 4.432 3.596 0.836 1 1 2303 . 21 1 1 A 204 204 GLY HA3 H 210 3.352 4.051 -0.699 1 1 2304 . 21 1 1 A 204 204 GLY C C 210 172.482 172.463 0.019 1 1 2305 . 21 1 1 A 204 204 GLY CA C 210 45.167 44.311 0.856 1 1 2306 . 21 1 1 A 204 204 GLY N N 210 110.488 113.457 -2.969 1 1 2307 . 21 1 1 A 205 205 SER H H 211 8.652 8.725 -0.073 1 1 2308 . 21 1 1 A 205 205 SER HA H 211 5.027 5.495 -0.468 1 1 2311 . 21 1 1 A 205 205 SER C C 211 172.852 173.303 -0.451 1 1 2312 . 21 1 1 A 205 205 SER CA C 211 58.806 57.441 1.365 1 1 2313 . 21 1 1 A 205 205 SER CB C 211 64.384 66.311 -1.927 1 1 2314 . 21 1 1 A 205 205 SER N N 211 116.497 116.585 -0.088 1 1 2315 . 21 1 1 A 206 206 VAL H H 212 7.400 9.014 -1.614 1 1 2316 . 21 1 1 A 206 206 VAL HA H 212 5.032 4.710 0.322 1 1 2324 . 21 1 1 A 206 206 VAL C C 212 174.500 174.232 0.268 1 1 2325 . 21 1 1 A 206 206 VAL CA C 212 58.764 61.251 -2.487 1 1 2326 . 21 1 1 A 206 206 VAL CB C 212 30.512 34.728 -4.216 1 1 2329 . 21 1 1 A 206 206 VAL N N 212 117.101 124.229 -7.128 1 1 2330 . 21 1 1 A 207 207 LEU H H 213 8.961 8.818 0.143 1 1 2331 . 21 1 1 A 207 207 LEU HA H 213 5.312 4.900 0.412 1 1 2341 . 21 1 1 A 207 207 LEU C C 213 175.520 174.984 0.536 1 1 2342 . 21 1 1 A 207 207 LEU CA C 213 52.630 54.057 -1.427 1 1 2343 . 21 1 1 A 207 207 LEU CB C 213 45.567 43.772 1.795 1 1 2347 . 21 1 1 A 207 207 LEU N N 213 124.185 130.147 -5.962 1 1 2348 . 21 1 1 A 208 208 TYR H H 214 8.836 8.764 0.072 1 1 2349 . 21 1 1 A 208 208 TYR HA H 214 4.766 4.586 0.180 1 1 2356 . 21 1 1 A 208 208 TYR C C 214 175.964 175.270 0.694 1 1 2357 . 21 1 1 A 208 208 TYR CA C 214 56.943 57.937 -0.994 1 1 2358 . 21 1 1 A 208 208 TYR CB C 214 41.736 40.072 1.664 1 1 2359 . 21 1 1 A 208 208 TYR N N 214 120.202 128.059 -7.857 1 1 2360 . 21 1 1 A 209 209 ASN H H 215 9.292 9.147 0.145 1 1 2361 . 21 1 1 A 209 209 ASN HA H 215 4.001 4.275 -0.274 1 1 2366 . 21 1 1 A 209 209 ASN C C 215 174.336 174.297 0.039 1 1 2367 . 21 1 1 A 209 209 ASN CA C 215 53.923 54.073 -0.150 1 1 2368 . 21 1 1 A 209 209 ASN CB C 215 36.468 37.082 -0.614 1 1 2369 . 21 1 1 A 209 209 ASN N N 215 129.805 125.804 4.001 1 1 2371 . 21 1 1 A 210 210 GLN H H 216 8.614 8.469 0.145 1 1 2372 . 21 1 1 A 210 210 GLN HA H 216 3.453 3.866 -0.413 1 1 2379 . 21 1 1 A 210 210 GLN C C 216 173.521 174.641 -1.120 1 1 2380 . 21 1 1 A 210 210 GLN CA C 216 57.881 57.217 0.664 1 1 2381 . 21 1 1 A 210 210 GLN CB C 216 26.089 26.644 -0.555 1 1 2383 . 21 1 1 A 210 210 GLN N N 216 106.396 110.138 -3.742 1 1 2385 . 21 1 1 A 211 211 ALA H H 217 7.657 7.545 0.112 1 1 2386 . 21 1 1 A 211 211 ALA HA H 217 4.608 4.495 0.113 1 1 2390 . 21 1 1 A 211 211 ALA C C 217 176.432 176.874 -0.442 1 1 2391 . 21 1 1 A 211 211 ALA CA C 217 50.786 50.962 -0.176 1 1 2392 . 21 1 1 A 211 211 ALA CB C 217 20.499 20.821 -0.322 1 1 2393 . 21 1 1 A 211 211 ALA N N 217 123.338 118.339 4.999 1 1 2394 . 21 1 1 A 212 212 GLU H H 218 8.712 8.857 -0.145 1 1 2395 . 21 1 1 A 212 212 GLU HA H 218 4.525 4.251 0.274 1 1 2400 . 21 1 1 A 212 212 GLU C C 218 177.924 174.528 3.396 1 1 2401 . 21 1 1 A 212 212 GLU CA C 218 57.550 58.873 -1.323 1 1 2402 . 21 1 1 A 212 212 GLU CB C 218 28.811 28.827 -0.016 1 1 2404 . 21 1 1 A 212 212 GLU N N 218 122.631 116.185 6.446 1 1 2405 . 21 1 1 A 213 213 LYS H H 219 8.835 8.715 0.120 1 1 2406 . 21 1 1 A 213 213 LYS HA H 219 4.612 4.852 -0.240 1 1 2415 . 21 1 1 A 213 213 LYS C C 219 173.786 175.514 -1.728 1 1 2416 . 21 1 1 A 213 213 LYS CA C 219 53.115 55.383 -2.268 1 1 2417 . 21 1 1 A 213 213 LYS CB C 219 34.180 34.267 -0.087 1 1 2421 . 21 1 1 A 213 213 LYS N N 219 126.870 121.293 5.577 1 1 2422 . 21 1 1 A 214 214 GLY H H 220 7.929 9.095 -1.166 1 1 2423 . 21 1 1 A 214 214 GLY HA2 H 220 5.469 4.089 1.380 1 1 2424 . 21 1 1 A 214 214 GLY HA3 H 220 3.719 4.094 -0.375 1 1 2425 . 21 1 1 A 214 214 GLY C C 220 173.926 172.857 1.069 1 1 2426 . 21 1 1 A 214 214 GLY CA C 220 44.536 43.937 0.599 1 1 2427 . 21 1 1 A 214 214 GLY N N 220 107.019 113.869 -6.850 1 1 2428 . 21 1 1 A 215 215 SER H H 221 8.678 8.590 0.088 1 1 2429 . 21 1 1 A 215 215 SER HA H 221 5.460 5.437 0.023 1 1 2432 . 21 1 1 A 215 215 SER C C 221 171.043 173.098 -2.055 1 1 2433 . 21 1 1 A 215 215 SER CA C 221 56.810 56.892 -0.082 1 1 2434 . 21 1 1 A 215 215 SER CB C 221 66.671 66.388 0.283 1 1 2435 . 21 1 1 A 215 215 SER N N 221 117.334 113.651 3.683 1 1 2436 . 21 1 1 A 216 216 TYR H H 222 8.958 9.138 -0.180 1 1 2437 . 21 1 1 A 216 216 TYR HA H 222 5.389 5.780 -0.391 1 1 2445 . 21 1 1 A 216 216 TYR C C 222 172.789 172.854 -0.065 1 1 2446 . 21 1 1 A 216 216 TYR CA C 222 55.819 55.375 0.444 1 1 2447 . 21 1 1 A 216 216 TYR CB C 222 41.681 42.387 -0.706 1 1 2448 . 21 1 1 A 216 216 TYR N N 222 117.645 118.961 -1.316 1 1 2449 . 21 1 1 A 217 217 SER H H 223 8.837 9.343 -0.506 1 1 2450 . 21 1 1 A 217 217 SER HA H 223 5.165 5.315 -0.150 1 1 2453 . 21 1 1 A 217 217 SER C C 223 173.125 172.618 0.507 1 1 2454 . 21 1 1 A 217 217 SER CA C 223 56.600 56.756 -0.156 1 1 2455 . 21 1 1 A 217 217 SER CB C 223 64.500 65.212 -0.712 1 1 2456 . 21 1 1 A 217 217 SER N N 223 115.593 115.980 -0.387 1 1 2457 . 21 1 1 A 218 218 LEU H H 224 9.299 8.658 0.641 1 1 2458 . 21 1 1 A 218 218 LEU HA H 224 4.748 4.881 -0.133 1 1 2468 . 21 1 1 A 218 218 LEU C C 224 175.567 174.689 0.878 1 1 2469 . 21 1 1 A 218 218 LEU CA C 224 53.138 53.897 -0.759 1 1 2470 . 21 1 1 A 218 218 LEU CB C 224 46.255 44.661 1.594 1 1 2474 . 21 1 1 A 218 218 LEU N N 224 123.523 121.717 1.806 1 1 2475 . 21 1 1 A 219 219 GLY H H 225 9.041 8.191 0.850 1 1 2476 . 21 1 1 A 219 219 GLY HA2 H 225 4.620 4.050 0.570 1 1 2477 . 21 1 1 A 219 219 GLY HA3 H 225 3.413 4.223 -0.810 1 1 2478 . 21 1 1 A 219 219 GLY C C 225 171.514 171.784 -0.270 1 1 2479 . 21 1 1 A 219 219 GLY CA C 225 43.777 44.722 -0.945 1 1 2480 . 21 1 1 A 219 219 GLY N N 225 108.999 105.707 3.292 1 1 2481 . 21 1 1 A 220 220 ILE H H 226 6.853 8.164 -1.311 1 1 2482 . 21 1 1 A 220 220 ILE HA H 226 4.615 4.510 0.105 1 1 2492 . 21 1 1 A 220 220 ILE C C 226 174.750 174.539 0.211 1 1 2493 . 21 1 1 A 220 220 ILE CA C 226 60.421 60.764 -0.343 1 1 2494 . 21 1 1 A 220 220 ILE CB C 226 38.213 39.286 -1.073 1 1 2498 . 21 1 1 A 220 220 ILE N N 226 120.223 122.060 -1.837 1 1 2499 . 21 1 1 A 221 221 PHE H H 227 9.392 9.173 0.219 1 1 2500 . 21 1 1 A 221 221 PHE HA H 227 4.770 4.975 -0.205 1 1 2507 . 21 1 1 A 221 221 PHE C C 227 175.093 175.187 -0.094 1 1 2508 . 21 1 1 A 221 221 PHE CA C 227 58.053 56.772 1.281 1 1 2509 . 21 1 1 A 221 221 PHE CB C 227 42.505 42.421 0.084 1 1 2510 . 21 1 1 A 221 221 PHE N N 227 128.229 126.456 1.773 1 1 2511 . 21 1 1 A 222 222 GLY H H 228 8.675 8.626 0.049 1 1 2512 . 21 1 1 A 222 222 GLY HA2 H 228 3.174 3.956 -0.782 1 1 2513 . 21 1 1 A 222 222 GLY HA3 H 228 4.311 3.972 0.339 1 1 2514 . 21 1 1 A 222 222 GLY CA C 228 42.438 44.624 -2.186 1 1 2515 . 21 1 1 A 222 222 GLY N N 228 104.634 110.665 -6.031 1 1 2516 . 21 1 1 A 223 223 GLY CA C 229 46.870 46.033 0.837 1 1 2517 . 21 1 1 A 224 224 LYS H H 230 8.366 7.502 0.864 1 1 2518 . 21 1 1 A 224 224 LYS HA H 230 4.305 4.662 -0.357 1 1 2523 . 21 1 1 A 224 224 LYS C C 230 174.717 175.231 -0.514 1 1 2524 . 21 1 1 A 224 224 LYS CA C 230 54.119 55.320 -1.201 1 1 2525 . 21 1 1 A 224 224 LYS CB C 230 30.821 33.146 -2.325 1 1 2527 . 21 1 1 A 224 224 LYS N N 230 118.720 117.294 1.426 1 1 2528 . 21 1 1 A 225 225 ALA H H 231 7.633 9.088 -1.455 1 1 2529 . 21 1 1 A 225 225 ALA HA H 231 3.810 4.321 -0.511 1 1 2533 . 21 1 1 A 225 225 ALA C C 231 176.702 177.427 -0.725 1 1 2534 . 21 1 1 A 225 225 ALA CA C 231 51.868 53.298 -1.430 1 1 2535 . 21 1 1 A 225 225 ALA CB C 231 16.117 17.587 -1.470 1 1 2536 . 21 1 1 A 225 225 ALA N N 231 118.077 121.300 -3.223 1 1 2537 . 21 1 1 A 226 226 GLN H H 232 9.387 8.076 1.311 1 1 2538 . 21 1 1 A 226 226 GLN HA H 232 3.877 4.226 -0.349 1 1 2543 . 21 1 1 A 226 226 GLN C C 232 175.992 175.619 0.373 1 1 2544 . 21 1 1 A 226 226 GLN CA C 232 60.989 57.938 3.051 1 1 2545 . 21 1 1 A 226 226 GLN CB C 232 28.695 29.874 -1.179 1 1 2547 . 21 1 1 A 226 226 GLN N N 232 117.991 117.449 0.542 1 1 2548 . 21 1 1 A 227 227 GLU H H 233 8.825 7.394 1.431 1 1 2549 . 21 1 1 A 227 227 GLU HA H 233 5.411 4.703 0.708 1 1 2554 . 21 1 1 A 227 227 GLU C C 233 174.939 173.631 1.308 1 1 2555 . 21 1 1 A 227 227 GLU CA C 233 54.289 55.423 -1.134 1 1 2556 . 21 1 1 A 227 227 GLU CB C 233 33.797 32.159 1.638 1 1 2558 . 21 1 1 A 227 227 GLU N N 233 116.638 114.119 2.519 1 1 2559 . 21 1 1 A 228 228 VAL H H 234 8.343 8.725 -0.382 1 1 2560 . 21 1 1 A 228 228 VAL HA H 234 5.544 5.045 0.499 1 1 2568 . 21 1 1 A 228 228 VAL C C 234 174.839 174.225 0.614 1 1 2569 . 21 1 1 A 228 228 VAL CA C 234 57.867 59.739 -1.872 1 1 2570 . 21 1 1 A 228 228 VAL CB C 234 35.379 34.970 0.409 1 1 2573 . 21 1 1 A 228 228 VAL N N 234 109.304 116.058 -6.754 1 1 2574 . 21 1 1 A 229 229 ALA H H 235 8.475 8.347 0.128 1 1 2575 . 21 1 1 A 229 229 ALA HA H 235 4.937 4.949 -0.012 1 1 2579 . 21 1 1 A 229 229 ALA C C 235 176.417 175.919 0.498 1 1 2580 . 21 1 1 A 229 229 ALA CA C 235 51.303 50.905 0.398 1 1 2581 . 21 1 1 A 229 229 ALA CB C 235 20.301 22.900 -2.599 1 1 2582 . 21 1 1 A 229 229 ALA N N 235 120.653 123.998 -3.345 1 1 2583 . 21 1 1 A 230 230 GLY H H 236 9.361 7.843 1.518 1 1 2584 . 21 1 1 A 230 230 GLY HA2 H 236 5.075 4.187 0.888 1 1 2585 . 21 1 1 A 230 230 GLY HA3 H 236 4.017 4.228 -0.211 1 1 2586 . 21 1 1 A 230 230 GLY C C 236 170.130 171.809 -1.679 1 1 2587 . 21 1 1 A 230 230 GLY CA C 236 46.221 46.059 0.162 1 1 2588 . 21 1 1 A 230 230 GLY N N 236 111.104 106.007 5.097 1 1 2589 . 21 1 1 A 231 231 SER H H 237 8.889 8.864 0.025 1 1 2590 . 21 1 1 A 231 231 SER HA H 237 5.276 5.249 0.027 1 1 2593 . 21 1 1 A 231 231 SER C C 237 171.360 172.870 -1.510 1 1 2594 . 21 1 1 A 231 231 SER CA C 237 56.498 57.314 -0.816 1 1 2595 . 21 1 1 A 231 231 SER CB C 237 66.398 66.477 -0.079 1 1 2596 . 21 1 1 A 231 231 SER N N 237 115.308 115.128 0.180 1 1 2597 . 21 1 1 A 232 232 ALA H H 238 9.083 8.977 0.106 1 1 2598 . 21 1 1 A 232 232 ALA HA H 238 5.148 5.485 -0.337 1 1 2602 . 21 1 1 A 232 232 ALA C C 238 174.537 175.501 -0.964 1 1 2603 . 21 1 1 A 232 232 ALA CA C 238 49.904 50.381 -0.477 1 1 2604 . 21 1 1 A 232 232 ALA CB C 238 21.729 22.450 -0.721 1 1 2605 . 21 1 1 A 232 232 ALA N N 238 119.911 123.989 -4.078 1 1 2606 . 21 1 1 A 233 233 GLU H H 239 9.015 9.094 -0.079 1 1 2607 . 21 1 1 A 233 233 GLU HA H 239 4.631 5.198 -0.567 1 1 2612 . 21 1 1 A 233 233 GLU C C 239 174.122 174.172 -0.050 1 1 2613 . 21 1 1 A 233 233 GLU CA C 239 54.786 54.740 0.046 1 1 2614 . 21 1 1 A 233 233 GLU CB C 239 31.355 32.870 -1.515 1 1 2616 . 21 1 1 A 233 233 GLU N N 239 122.744 122.816 -0.072 1 1 2617 . 21 1 1 A 234 234 VAL H H 240 8.792 8.912 -0.120 1 1 2618 . 21 1 1 A 234 234 VAL HA H 240 4.394 4.755 -0.361 1 1 2623 . 21 1 1 A 234 234 VAL C C 240 174.833 174.229 0.604 1 1 2624 . 21 1 1 A 234 234 VAL CA C 240 61.427 59.494 1.933 1 1 2625 . 21 1 1 A 234 234 VAL CB C 240 33.863 34.400 -0.537 1 1 2627 . 21 1 1 A 234 234 VAL N N 240 124.203 126.205 -2.002 1 1 2628 . 21 1 1 A 235 235 LYS H H 241 8.841 8.545 0.296 1 1 2629 . 21 1 1 A 235 235 LYS HA H 241 3.981 4.992 -1.011 1 1 2638 . 21 1 1 A 235 235 LYS C C 241 174.548 175.257 -0.709 1 1 2639 . 21 1 1 A 235 235 LYS CA C 241 55.955 54.721 1.234 1 1 2640 . 21 1 1 A 235 235 LYS CB C 241 32.100 35.062 -2.962 1 1 2644 . 21 1 1 A 235 235 LYS N N 241 127.554 126.639 0.915 1 1 2645 . 21 1 1 A 236 236 THR H H 242 7.212 8.653 -1.441 1 1 2646 . 21 1 1 A 236 236 THR HA H 242 4.355 4.774 -0.419 1 1 2651 . 21 1 1 A 236 236 THR C C 242 176.482 174.870 1.612 1 1 2652 . 21 1 1 A 236 236 THR CA C 242 61.054 61.168 -0.114 1 1 2653 . 21 1 1 A 236 236 THR CB C 242 72.642 73.115 -0.473 1 1 2655 . 21 1 1 A 236 236 THR N N 242 114.463 115.541 -1.078 1 1 2656 . 21 1 1 A 237 237 VAL H H 243 9.582 8.722 0.860 1 1 2657 . 21 1 1 A 237 237 VAL HA H 243 3.849 3.898 -0.049 1 1 2665 . 21 1 1 A 237 237 VAL C C 243 176.201 177.632 -1.431 1 1 2666 . 21 1 1 A 237 237 VAL CA C 243 64.701 65.124 -0.423 1 1 2667 . 21 1 1 A 237 237 VAL CB C 243 31.028 31.841 -0.813 1 1 2669 . 21 1 1 A 237 237 VAL N N 243 120.670 125.071 -4.401 1 1 2670 . 21 1 1 A 238 238 ASN H H 244 7.572 8.100 -0.528 1 1 2671 . 21 1 1 A 238 238 ASN HA H 244 4.882 4.622 0.260 1 1 2676 . 21 1 1 A 238 238 ASN C C 244 173.835 175.543 -1.708 1 1 2677 . 21 1 1 A 238 238 ASN CA C 244 52.022 53.566 -1.544 1 1 2678 . 21 1 1 A 238 238 ASN CB C 244 39.176 38.852 0.324 1 1 2679 . 21 1 1 A 238 238 ASN N N 244 115.638 117.934 -2.296 1 1 2681 . 21 1 1 A 239 239 GLY H H 245 7.362 7.558 -0.196 1 1 2682 . 21 1 1 A 239 239 GLY HA2 H 245 4.539 4.119 0.420 1 1 2683 . 21 1 1 A 239 239 GLY HA3 H 245 3.728 4.127 -0.399 1 1 2684 . 21 1 1 A 239 239 GLY C C 245 174.343 171.603 2.740 1 1 2685 . 21 1 1 A 239 239 GLY CA C 245 43.316 44.351 -1.035 1 1 2686 . 21 1 1 A 239 239 GLY N N 245 107.650 105.208 2.442 1 1 2687 . 21 1 1 A 240 240 ILE H H 246 8.672 8.361 0.311 1 1 2688 . 21 1 1 A 240 240 ILE HA H 246 4.351 4.845 -0.494 1 1 2698 . 21 1 1 A 240 240 ILE C C 246 176.899 174.326 2.573 1 1 2699 . 21 1 1 A 240 240 ILE CA C 246 61.120 59.830 1.290 1 1 2700 . 21 1 1 A 240 240 ILE CB C 246 36.906 40.559 -3.653 1 1 2704 . 21 1 1 A 240 240 ILE N N 246 122.673 120.827 1.846 1 1 2705 . 21 1 1 A 241 241 ARG H H 247 9.233 9.124 0.109 1 1 2706 . 21 1 1 A 241 241 ARG HA H 247 4.370 4.919 -0.549 1 1 2713 . 21 1 1 A 241 241 ARG C C 247 173.925 174.733 -0.808 1 1 2714 . 21 1 1 A 241 241 ARG CA C 247 53.461 54.250 -0.789 1 1 2715 . 21 1 1 A 241 241 ARG CB C 247 31.910 33.439 -1.529 1 1 2718 . 21 1 1 A 241 241 ARG N N 247 128.497 128.336 0.161 1 1 2719 . 21 1 1 A 242 242 HIS H H 248 8.519 8.812 -0.293 1 1 2720 . 21 1 1 A 242 242 HIS HA H 248 5.323 5.059 0.264 1 1 2725 . 21 1 1 A 242 242 HIS C C 248 174.635 174.351 0.284 1 1 2726 . 21 1 1 A 242 242 HIS CA C 248 55.759 54.399 1.360 1 1 2727 . 21 1 1 A 242 242 HIS CB C 248 32.921 31.885 1.036 1 1 2728 . 21 1 1 A 242 242 HIS N N 248 121.131 120.541 0.590 1 1 2729 . 21 1 1 A 243 243 ILE H H 249 8.723 9.185 -0.462 1 1 2730 . 21 1 1 A 243 243 ILE HA H 249 4.522 4.527 -0.005 1 1 2740 . 21 1 1 A 243 243 ILE C C 249 176.188 175.209 0.979 1 1 2741 . 21 1 1 A 243 243 ILE CA C 249 58.524 59.574 -1.050 1 1 2742 . 21 1 1 A 243 243 ILE CB C 249 41.977 42.188 -0.211 1 1 2746 . 21 1 1 A 243 243 ILE N N 249 119.438 123.396 -3.958 1 1 2747 . 21 1 1 A 244 244 GLY H H 250 9.351 8.618 0.733 1 1 2748 . 21 1 1 A 244 244 GLY HA2 H 250 3.707 2.877 0.830 1 1 2749 . 21 1 1 A 244 244 GLY HA3 H 250 2.119 3.811 -1.692 1 1 2750 . 21 1 1 A 244 244 GLY C C 250 170.981 171.611 -0.630 1 1 2751 . 21 1 1 A 244 244 GLY CA C 250 44.178 43.661 0.517 1 1 2752 . 21 1 1 A 244 244 GLY N N 250 113.700 113.469 0.231 1 1 2753 . 21 1 1 A 245 245 LEU H H 251 7.833 8.456 -0.623 1 1 2754 . 21 1 1 A 245 245 LEU HA H 251 4.717 4.960 -0.243 1 1 2764 . 21 1 1 A 245 245 LEU C C 251 174.501 175.800 -1.299 1 1 2765 . 21 1 1 A 245 245 LEU CA C 251 52.508 53.635 -1.127 1 1 2766 . 21 1 1 A 245 245 LEU CB C 251 46.764 43.986 2.778 1 1 2770 . 21 1 1 A 245 245 LEU N N 251 120.798 123.628 -2.830 1 1 2771 . 21 1 1 A 246 246 ALA H H 252 7.906 8.588 -0.682 1 1 2772 . 21 1 1 A 246 246 ALA HA H 252 4.589 4.858 -0.269 1 1 2776 . 21 1 1 A 246 246 ALA C C 252 173.363 175.458 -2.095 1 1 2777 . 21 1 1 A 246 246 ALA CA C 252 51.546 51.517 0.029 1 1 2778 . 21 1 1 A 246 246 ALA CB C 252 21.524 21.337 0.187 1 1 2779 . 21 1 1 A 246 246 ALA N N 252 122.885 123.950 -1.065 1 1 2780 . 21 1 1 A 247 247 ALA H H 253 9.041 8.236 0.805 1 1 2781 . 21 1 1 A 247 247 ALA HA H 253 4.726 5.074 -0.348 1 1 2785 . 21 1 1 A 247 247 ALA C C 253 174.897 175.838 -0.941 1 1 2786 . 21 1 1 A 247 247 ALA CA C 253 51.723 51.587 0.136 1 1 2787 . 21 1 1 A 247 247 ALA CB C 253 22.967 23.083 -0.116 1 1 2788 . 21 1 1 A 247 247 ALA N N 253 122.967 122.376 0.591 1 1 2789 . 21 1 1 A 248 248 LYS H H 254 8.171 8.927 -0.756 1 1 2790 . 21 1 1 A 248 248 LYS HA H 254 5.731 5.013 0.718 1 1 2797 . 21 1 1 A 248 248 LYS C C 254 175.094 175.299 -0.205 1 1 2798 . 21 1 1 A 248 248 LYS CA C 254 53.866 54.623 -0.757 1 1 2799 . 21 1 1 A 248 248 LYS CB C 254 36.312 36.166 0.146 1 1 2802 . 21 1 1 A 248 248 LYS N N 254 115.734 118.695 -2.961 1 1 60 . 22 1 1 A 9 9 GLY H H 15 8.346 8.274 0.072 1 1 61 . 22 1 1 A 9 9 GLY HA2 H 15 4.021 3.948 0.073 1 1 62 . 22 1 1 A 9 9 GLY HA3 H 15 3.772 3.949 -0.177 1 1 63 . 22 1 1 A 9 9 GLY C C 15 174.259 175.228 -0.969 1 1 64 . 22 1 1 A 9 9 GLY CA C 15 45.581 45.950 -0.369 1 1 65 . 22 1 1 A 9 9 GLY N N 15 107.368 106.896 0.472 1 1 66 . 22 1 1 A 10 10 LEU H H 16 7.224 7.720 -0.496 1 1 67 . 22 1 1 A 10 10 LEU HA H 16 3.736 4.091 -0.355 1 1 77 . 22 1 1 A 10 10 LEU C C 16 178.202 178.798 -0.596 1 1 78 . 22 1 1 A 10 10 LEU CA C 16 57.915 57.506 0.409 1 1 79 . 22 1 1 A 10 10 LEU CB C 16 40.686 41.193 -0.507 1 1 83 . 22 1 1 A 10 10 LEU N N 16 117.616 121.587 -3.971 1 1 84 . 22 1 1 A 11 11 ALA H H 17 7.860 8.388 -0.528 1 1 85 . 22 1 1 A 11 11 ALA HA H 17 3.937 4.110 -0.173 1 1 89 . 22 1 1 A 11 11 ALA C C 17 181.090 178.783 2.307 1 1 90 . 22 1 1 A 11 11 ALA CA C 17 54.860 55.806 -0.946 1 1 91 . 22 1 1 A 11 11 ALA CB C 17 17.248 18.215 -0.967 1 1 92 . 22 1 1 A 11 11 ALA N N 17 117.757 122.058 -4.301 1 1 93 . 22 1 1 A 12 12 ASP H H 18 8.017 8.446 -0.429 1 1 94 . 22 1 1 A 12 12 ASP HA H 18 4.223 4.401 -0.178 1 1 97 . 22 1 1 A 12 12 ASP C C 18 177.941 178.064 -0.123 1 1 98 . 22 1 1 A 12 12 ASP CA C 18 56.341 57.379 -1.038 1 1 99 . 22 1 1 A 12 12 ASP CB C 18 39.312 41.666 -2.354 1 1 100 . 22 1 1 A 12 12 ASP N N 18 118.410 118.398 0.012 1 1 101 . 22 1 1 A 13 13 ALA H H 19 8.205 7.551 0.654 1 1 102 . 22 1 1 A 13 13 ALA HA H 19 3.952 4.252 -0.300 1 1 106 . 22 1 1 A 13 13 ALA C C 19 178.856 178.059 0.797 1 1 107 . 22 1 1 A 13 13 ALA CA C 19 55.039 54.116 0.923 1 1 108 . 22 1 1 A 13 13 ALA CB C 19 17.779 18.525 -0.746 1 1 109 . 22 1 1 A 13 13 ALA N N 19 121.480 121.226 0.254 1 1 110 . 22 1 1 A 14 14 LEU H H 20 7.217 7.382 -0.165 1 1 111 . 22 1 1 A 14 14 LEU HA H 20 4.258 4.284 -0.026 1 1 121 . 22 1 1 A 14 14 LEU C C 20 177.544 178.521 -0.977 1 1 122 . 22 1 1 A 14 14 LEU CA C 20 55.511 55.942 -0.431 1 1 123 . 22 1 1 A 14 14 LEU CB C 20 42.176 42.428 -0.252 1 1 126 . 22 1 1 A 14 14 LEU N N 20 113.410 115.864 -2.454 1 1 127 . 22 1 1 A 15 15 THR H H 21 7.624 7.563 0.061 1 1 128 . 22 1 1 A 15 15 THR HA H 21 4.394 4.286 0.108 1 1 133 . 22 1 1 A 15 15 THR C C 21 174.959 174.857 0.102 1 1 134 . 22 1 1 A 15 15 THR CA C 21 61.733 63.145 -1.412 1 1 135 . 22 1 1 A 15 15 THR CB C 21 71.514 69.200 2.314 1 1 137 . 22 1 1 A 15 15 THR N N 21 106.072 108.193 -2.121 1 1 138 . 22 1 1 A 16 16 ALA H H 22 8.932 7.698 1.234 1 1 139 . 22 1 1 A 16 16 ALA HA H 22 4.624 4.749 -0.125 1 1 143 . 22 1 1 A 16 16 ALA C C 22 175.978 175.043 0.935 1 1 144 . 22 1 1 A 16 16 ALA CA C 22 50.681 50.053 0.628 1 1 145 . 22 1 1 A 16 16 ALA CB C 22 18.728 21.921 -3.193 1 1 146 . 22 1 1 A 16 16 ALA N N 22 127.789 121.603 6.186 1 1 147 . 22 1 1 A 17 17 PRO HA H 23 4.430 4.594 -0.164 1 1 154 . 22 1 1 A 17 17 PRO CA C 23 61.497 62.369 -0.872 1 1 155 . 22 1 1 A 17 17 PRO CB C 23 31.775 33.167 -1.392 1 1 158 . 22 1 1 A 18 18 LEU H H 24 8.154 8.872 -0.718 1 1 159 . 22 1 1 A 18 18 LEU HA H 24 3.894 4.353 -0.459 1 1 169 . 22 1 1 A 18 18 LEU C C 24 176.447 176.212 0.235 1 1 170 . 22 1 1 A 18 18 LEU CA C 24 55.510 56.222 -0.712 1 1 171 . 22 1 1 A 18 18 LEU CB C 24 40.921 42.488 -1.567 1 1 175 . 22 1 1 A 18 18 LEU N N 24 121.010 120.120 0.890 1 1 176 . 22 1 1 A 19 19 ASP H H 25 8.758 7.689 1.069 1 1 177 . 22 1 1 A 19 19 ASP HA H 25 4.626 4.923 -0.297 1 1 180 . 22 1 1 A 19 19 ASP C C 25 176.425 174.897 1.528 1 1 181 . 22 1 1 A 19 19 ASP CA C 25 52.688 52.987 -0.299 1 1 182 . 22 1 1 A 19 19 ASP CB C 25 42.819 43.964 -1.145 1 1 183 . 22 1 1 A 19 19 ASP N N 25 124.654 113.378 11.276 1 1 184 . 22 1 1 A 20 20 HIS HA H 26 4.272 4.490 -0.218 1 1 189 . 22 1 1 A 20 20 HIS CA C 26 58.100 58.841 -0.741 1 1 190 . 22 1 1 A 20 20 HIS CB C 26 29.200 30.247 -1.047 1 1 191 . 22 1 1 A 21 21 LYS H H 27 8.348 7.884 0.464 1 1 192 . 22 1 1 A 21 21 LYS HA H 27 3.970 4.404 -0.434 1 1 201 . 22 1 1 A 21 21 LYS C C 27 177.393 177.439 -0.046 1 1 202 . 22 1 1 A 21 21 LYS CA C 27 56.320 56.520 -0.200 1 1 203 . 22 1 1 A 21 21 LYS CB C 27 30.950 34.633 -3.683 1 1 206 . 22 1 1 A 21 21 LYS N N 27 118.419 113.576 4.843 1 1 207 . 22 1 1 A 22 22 ASP H H 28 7.451 7.825 -0.374 1 1 208 . 22 1 1 A 22 22 ASP HA H 28 4.307 4.232 0.075 1 1 211 . 22 1 1 A 22 22 ASP C C 28 176.212 175.770 0.442 1 1 212 . 22 1 1 A 22 22 ASP CA C 28 54.164 56.570 -2.406 1 1 213 . 22 1 1 A 22 22 ASP CB C 28 40.091 39.296 0.795 1 1 214 . 22 1 1 A 22 22 ASP N N 28 120.045 115.326 4.719 1 1 215 . 22 1 1 A 23 23 LYS H H 29 8.416 8.398 0.018 1 1 216 . 22 1 1 A 23 23 LYS HA H 29 3.962 4.535 -0.573 1 1 225 . 22 1 1 A 23 23 LYS C C 29 177.409 175.764 1.645 1 1 226 . 22 1 1 A 23 23 LYS CA C 29 56.254 56.524 -0.270 1 1 227 . 22 1 1 A 23 23 LYS CB C 29 31.950 35.190 -3.240 1 1 231 . 22 1 1 A 23 23 LYS N N 29 121.925 114.588 7.337 1 1 232 . 22 1 1 A 24 24 GLY H H 30 8.612 7.437 1.175 1 1 233 . 22 1 1 A 24 24 GLY HA2 H 30 3.655 4.057 -0.402 1 1 234 . 22 1 1 A 24 24 GLY HA3 H 30 3.519 4.110 -0.591 1 1 235 . 22 1 1 A 24 24 GLY CA C 30 44.788 45.862 -1.074 1 1 236 . 22 1 1 A 24 24 GLY N N 30 111.487 108.029 3.458 1 1 237 . 22 1 1 A 25 25 LEU H H 31 8.054 8.288 -0.234 1 1 238 . 22 1 1 A 25 25 LEU HA H 31 3.770 4.334 -0.564 1 1 248 . 22 1 1 A 25 25 LEU CA C 31 55.906 55.984 -0.078 1 1 249 . 22 1 1 A 25 25 LEU CB C 31 44.428 42.269 2.159 1 1 253 . 22 1 1 A 25 25 LEU N N 31 127.196 123.066 4.130 1 1 254 . 22 1 1 A 26 26 GLN H H 32 9.184 8.966 0.218 1 1 255 . 22 1 1 A 26 26 GLN HA H 32 3.437 4.492 -1.055 1 1 262 . 22 1 1 A 26 26 GLN C C 32 174.347 174.778 -0.431 1 1 263 . 22 1 1 A 26 26 GLN CA C 32 57.926 55.384 2.542 1 1 264 . 22 1 1 A 26 26 GLN CB C 32 27.721 30.211 -2.490 1 1 266 . 22 1 1 A 26 26 GLN N N 32 131.782 125.538 6.244 1 1 268 . 22 1 1 A 27 27 SER H H 33 7.240 7.773 -0.533 1 1 269 . 22 1 1 A 27 27 SER HA H 33 4.981 4.875 0.106 1 1 272 . 22 1 1 A 27 27 SER C C 33 171.111 171.832 -0.721 1 1 273 . 22 1 1 A 27 27 SER CA C 33 56.782 56.846 -0.064 1 1 274 . 22 1 1 A 27 27 SER CB C 33 64.611 66.003 -1.392 1 1 275 . 22 1 1 A 27 27 SER N N 33 108.936 114.456 -5.520 1 1 276 . 22 1 1 A 28 28 LEU H H 34 8.010 8.809 -0.799 1 1 277 . 22 1 1 A 28 28 LEU HA H 34 4.372 5.069 -0.697 1 1 287 . 22 1 1 A 28 28 LEU C C 34 174.697 174.156 0.541 1 1 288 . 22 1 1 A 28 28 LEU CA C 34 53.332 53.506 -0.174 1 1 289 . 22 1 1 A 28 28 LEU CB C 34 45.636 45.545 0.091 1 1 293 . 22 1 1 A 28 28 LEU N N 34 121.826 124.011 -2.185 1 1 294 . 22 1 1 A 29 29 THR H H 35 8.810 8.993 -0.183 1 1 295 . 22 1 1 A 29 29 THR HA H 35 4.046 4.839 -0.793 1 1 300 . 22 1 1 A 29 29 THR C C 35 172.792 174.746 -1.954 1 1 301 . 22 1 1 A 29 29 THR CA C 35 62.565 60.581 1.984 1 1 302 . 22 1 1 A 29 29 THR CB C 35 68.233 70.591 -2.358 1 1 304 . 22 1 1 A 29 29 THR N N 35 123.892 121.430 2.462 1 1 305 . 22 1 1 A 30 30 LEU H H 36 8.662 8.375 0.287 1 1 306 . 22 1 1 A 30 30 LEU HA H 36 4.150 4.846 -0.696 1 1 316 . 22 1 1 A 30 30 LEU C C 36 174.707 177.039 -2.332 1 1 317 . 22 1 1 A 30 30 LEU CA C 36 53.789 54.252 -0.463 1 1 318 . 22 1 1 A 30 30 LEU CB C 36 40.562 42.170 -1.608 1 1 322 . 22 1 1 A 30 30 LEU N N 36 128.365 129.827 -1.462 1 1 323 . 22 1 1 A 31 31 ASP H H 37 8.500 8.379 0.121 1 1 324 . 22 1 1 A 31 31 ASP HA H 37 4.837 4.408 0.429 1 1 327 . 22 1 1 A 31 31 ASP CA C 37 54.657 57.540 -2.883 1 1 328 . 22 1 1 A 31 31 ASP CB C 37 43.089 40.488 2.601 1 1 329 . 22 1 1 A 31 31 ASP N N 37 123.194 120.055 3.139 1 1 330 . 22 1 1 A 32 32 GLN H H 38 10.453 8.187 2.266 1 1 331 . 22 1 1 A 32 32 GLN HA H 38 3.808 4.559 -0.751 1 1 338 . 22 1 1 A 32 32 GLN C C 38 178.535 176.715 1.820 1 1 339 . 22 1 1 A 32 32 GLN CA C 38 56.284 55.462 0.822 1 1 340 . 22 1 1 A 32 32 GLN CB C 38 28.175 29.718 -1.543 1 1 342 . 22 1 1 A 32 32 GLN N N 38 120.692 115.872 4.820 1 1 344 . 22 1 1 A 33 33 SER H H 39 8.523 7.846 0.677 1 1 345 . 22 1 1 A 33 33 SER HA H 39 4.081 4.455 -0.374 1 1 348 . 22 1 1 A 33 33 SER C C 39 171.792 174.067 -2.275 1 1 349 . 22 1 1 A 33 33 SER CA C 39 61.436 61.137 0.299 1 1 350 . 22 1 1 A 33 33 SER CB C 39 63.008 64.251 -1.243 1 1 351 . 22 1 1 A 33 33 SER N N 39 111.712 114.742 -3.030 1 1 352 . 22 1 1 A 34 34 VAL H H 40 6.691 7.451 -0.760 1 1 353 . 22 1 1 A 34 34 VAL HA H 40 3.890 4.684 -0.794 1 1 361 . 22 1 1 A 34 34 VAL C C 40 172.251 173.946 -1.695 1 1 362 . 22 1 1 A 34 34 VAL CA C 40 60.415 59.703 0.712 1 1 363 . 22 1 1 A 34 34 VAL CB C 40 32.306 35.528 -3.222 1 1 366 . 22 1 1 A 34 34 VAL N N 40 115.971 118.676 -2.705 1 1 367 . 22 1 1 A 35 35 ARG H H 41 8.184 8.761 -0.577 1 1 368 . 22 1 1 A 35 35 ARG HA H 41 4.176 4.537 -0.361 1 1 375 . 22 1 1 A 35 35 ARG C C 41 176.886 177.620 -0.734 1 1 376 . 22 1 1 A 35 35 ARG CA C 41 55.599 55.575 0.024 1 1 377 . 22 1 1 A 35 35 ARG CB C 41 30.569 31.299 -0.730 1 1 380 . 22 1 1 A 35 35 ARG N N 41 125.397 125.584 -0.187 1 1 381 . 22 1 1 A 36 36 LYS H H 42 8.493 8.729 -0.236 1 1 382 . 22 1 1 A 36 36 LYS HA H 42 3.778 4.187 -0.409 1 1 391 . 22 1 1 A 36 36 LYS C C 42 176.596 177.240 -0.644 1 1 392 . 22 1 1 A 36 36 LYS CA C 42 58.687 58.204 0.483 1 1 393 . 22 1 1 A 36 36 LYS CB C 42 31.959 32.151 -0.192 1 1 397 . 22 1 1 A 36 36 LYS N N 42 119.360 119.532 -0.172 1 1 398 . 22 1 1 A 37 37 ASN H H 43 8.513 7.811 0.702 1 1 399 . 22 1 1 A 37 37 ASN HA H 43 4.438 4.856 -0.418 1 1 404 . 22 1 1 A 37 37 ASN C C 43 173.867 174.876 -1.009 1 1 405 . 22 1 1 A 37 37 ASN CA C 43 55.127 53.116 2.011 1 1 406 . 22 1 1 A 37 37 ASN CB C 43 37.071 39.904 -2.833 1 1 407 . 22 1 1 A 37 37 ASN N N 43 115.488 115.067 0.421 1 1 409 . 22 1 1 A 38 38 GLU H H 44 7.793 7.470 0.323 1 1 410 . 22 1 1 A 38 38 GLU HA H 44 4.772 5.047 -0.275 1 1 413 . 22 1 1 A 38 38 GLU C C 44 175.262 174.175 1.087 1 1 414 . 22 1 1 A 38 38 GLU CA C 44 54.808 54.815 -0.007 1 1 415 . 22 1 1 A 38 38 GLU CB C 44 32.321 32.732 -0.411 1 1 416 . 22 1 1 A 38 38 GLU N N 44 118.734 116.835 1.899 1 1 417 . 22 1 1 A 39 39 LYS H H 45 8.706 9.002 -0.296 1 1 418 . 22 1 1 A 39 39 LYS HA H 45 4.606 4.768 -0.162 1 1 427 . 22 1 1 A 39 39 LYS C C 45 174.312 174.848 -0.536 1 1 428 . 22 1 1 A 39 39 LYS CA C 45 52.782 54.695 -1.913 1 1 429 . 22 1 1 A 39 39 LYS CB C 45 35.174 33.939 1.235 1 1 433 . 22 1 1 A 39 39 LYS N N 45 117.132 123.088 -5.956 1 1 434 . 22 1 1 A 40 40 LEU H H 46 9.085 8.728 0.357 1 1 435 . 22 1 1 A 40 40 LEU HA H 46 5.044 4.623 0.421 1 1 442 . 22 1 1 A 40 40 LEU C C 46 173.778 175.549 -1.771 1 1 443 . 22 1 1 A 40 40 LEU CA C 46 52.590 54.076 -1.486 1 1 444 . 22 1 1 A 40 40 LEU CB C 46 44.855 43.312 1.543 1 1 447 . 22 1 1 A 40 40 LEU N N 46 125.335 128.692 -3.357 1 1 448 . 22 1 1 A 41 41 LYS H H 47 9.263 8.865 0.398 1 1 449 . 22 1 1 A 41 41 LYS HA H 47 5.049 4.970 0.079 1 1 458 . 22 1 1 A 41 41 LYS C C 47 175.616 174.067 1.549 1 1 459 . 22 1 1 A 41 41 LYS CA C 47 53.864 54.581 -0.717 1 1 460 . 22 1 1 A 41 41 LYS CB C 47 32.986 35.180 -2.194 1 1 464 . 22 1 1 A 41 41 LYS N N 47 129.833 126.480 3.353 1 1 465 . 22 1 1 A 42 42 LEU H H 48 8.954 9.234 -0.280 1 1 466 . 22 1 1 A 42 42 LEU HA H 48 5.458 5.387 0.071 1 1 476 . 22 1 1 A 42 42 LEU C C 48 175.565 174.918 0.647 1 1 477 . 22 1 1 A 42 42 LEU CA C 48 51.964 53.454 -1.490 1 1 478 . 22 1 1 A 42 42 LEU CB C 48 44.393 46.339 -1.946 1 1 482 . 22 1 1 A 42 42 LEU N N 48 126.292 128.532 -2.240 1 1 483 . 22 1 1 A 43 43 ALA H H 49 8.804 8.661 0.143 1 1 484 . 22 1 1 A 43 43 ALA HA H 49 5.304 5.201 0.103 1 1 488 . 22 1 1 A 43 43 ALA C C 49 176.301 175.817 0.484 1 1 489 . 22 1 1 A 43 43 ALA CA C 49 51.004 51.481 -0.477 1 1 490 . 22 1 1 A 43 43 ALA CB C 49 23.453 23.785 -0.332 1 1 491 . 22 1 1 A 43 43 ALA N N 49 120.789 126.897 -6.108 1 1 492 . 22 1 1 A 44 44 ALA H H 50 8.117 8.612 -0.495 1 1 493 . 22 1 1 A 44 44 ALA HA H 50 4.485 4.583 -0.098 1 1 497 . 22 1 1 A 44 44 ALA C C 50 176.254 175.624 0.630 1 1 498 . 22 1 1 A 44 44 ALA CA C 50 53.021 51.726 1.295 1 1 499 . 22 1 1 A 44 44 ALA CB C 50 23.682 22.195 1.487 1 1 500 . 22 1 1 A 44 44 ALA N N 50 120.678 120.197 0.481 1 1 501 . 22 1 1 A 45 45 GLN H H 51 9.035 9.217 -0.182 1 1 502 . 22 1 1 A 45 45 GLN HA H 51 3.774 3.985 -0.211 1 1 509 . 22 1 1 A 45 45 GLN C C 51 175.259 176.078 -0.819 1 1 510 . 22 1 1 A 45 45 GLN CA C 51 56.074 57.026 -0.952 1 1 511 . 22 1 1 A 45 45 GLN CB C 51 27.339 26.953 0.386 1 1 513 . 22 1 1 A 45 45 GLN N N 51 116.299 122.853 -6.554 1 1 515 . 22 1 1 A 46 46 GLY H H 52 8.441 8.754 -0.313 1 1 516 . 22 1 1 A 46 46 GLY HA2 H 52 4.066 3.829 0.237 1 1 517 . 22 1 1 A 46 46 GLY HA3 H 52 3.510 3.834 -0.324 1 1 518 . 22 1 1 A 46 46 GLY C C 52 173.050 173.790 -0.740 1 1 519 . 22 1 1 A 46 46 GLY CA C 52 44.998 45.410 -0.412 1 1 520 . 22 1 1 A 46 46 GLY N N 52 105.419 104.871 0.548 1 1 521 . 22 1 1 A 47 47 ALA H H 53 8.152 7.734 0.418 1 1 522 . 22 1 1 A 47 47 ALA HA H 53 4.767 4.800 -0.033 1 1 526 . 22 1 1 A 47 47 ALA C C 53 175.989 176.713 -0.724 1 1 527 . 22 1 1 A 47 47 ALA CA C 53 49.918 50.864 -0.946 1 1 528 . 22 1 1 A 47 47 ALA CB C 53 22.720 21.808 0.912 1 1 529 . 22 1 1 A 47 47 ALA N N 53 124.355 123.200 1.155 1 1 530 . 22 1 1 A 48 48 GLU H H 54 8.156 9.154 -0.998 1 1 531 . 22 1 1 A 48 48 GLU HA H 54 5.488 5.381 0.107 1 1 536 . 22 1 1 A 48 48 GLU C C 54 174.224 173.971 0.253 1 1 537 . 22 1 1 A 48 48 GLU CA C 54 54.346 54.790 -0.444 1 1 538 . 22 1 1 A 48 48 GLU CB C 54 34.305 33.854 0.451 1 1 540 . 22 1 1 A 48 48 GLU N N 54 116.655 116.545 0.110 1 1 541 . 22 1 1 A 49 49 LYS H H 55 8.852 9.284 -0.432 1 1 542 . 22 1 1 A 49 49 LYS HA H 55 4.190 4.918 -0.728 1 1 549 . 22 1 1 A 49 49 LYS C C 55 172.887 174.613 -1.726 1 1 550 . 22 1 1 A 49 49 LYS CA C 55 56.414 55.184 1.230 1 1 551 . 22 1 1 A 49 49 LYS CB C 55 34.723 36.440 -1.717 1 1 554 . 22 1 1 A 49 49 LYS N N 55 122.922 121.099 1.823 1 1 555 . 22 1 1 A 50 50 THR H H 56 7.910 8.811 -0.901 1 1 556 . 22 1 1 A 50 50 THR HA H 56 4.908 4.836 0.072 1 1 561 . 22 1 1 A 50 50 THR C C 56 173.112 173.634 -0.522 1 1 562 . 22 1 1 A 50 50 THR CA C 56 61.998 62.575 -0.577 1 1 563 . 22 1 1 A 50 50 THR CB C 56 68.596 68.759 -0.163 1 1 565 . 22 1 1 A 50 50 THR N N 56 120.811 122.777 -1.966 1 1 566 . 22 1 1 A 51 51 TYR H H 57 9.432 9.154 0.278 1 1 567 . 22 1 1 A 51 51 TYR HA H 57 4.493 5.089 -0.596 1 1 574 . 22 1 1 A 51 51 TYR C C 57 174.156 173.622 0.534 1 1 575 . 22 1 1 A 51 51 TYR CA C 57 57.375 56.008 1.367 1 1 576 . 22 1 1 A 51 51 TYR CB C 57 41.895 40.608 1.287 1 1 577 . 22 1 1 A 51 51 TYR N N 57 127.372 124.726 2.646 1 1 578 . 22 1 1 A 52 52 GLY H H 58 9.154 8.480 0.674 1 1 579 . 22 1 1 A 52 52 GLY HA2 H 58 3.543 4.123 -0.580 1 1 580 . 22 1 1 A 52 52 GLY HA3 H 58 3.543 4.148 -0.605 1 1 581 . 22 1 1 A 52 52 GLY C C 58 172.527 173.177 -0.650 1 1 582 . 22 1 1 A 52 52 GLY CA C 58 42.304 44.383 -2.079 1 1 583 . 22 1 1 A 52 52 GLY N N 58 108.920 106.685 2.235 1 1 584 . 22 1 1 A 53 53 ASN H H 59 8.877 9.144 -0.267 1 1 585 . 22 1 1 A 53 53 ASN HA H 59 4.034 4.430 -0.396 1 1 588 . 22 1 1 A 53 53 ASN C C 59 176.319 175.459 0.860 1 1 589 . 22 1 1 A 53 53 ASN CA C 59 57.108 54.925 2.183 1 1 590 . 22 1 1 A 53 53 ASN CB C 59 39.672 36.722 2.950 1 1 591 . 22 1 1 A 53 53 ASN N N 59 117.281 117.240 0.041 1 1 592 . 22 1 1 A 54 54 GLY H H 60 8.949 8.807 0.142 1 1 593 . 22 1 1 A 54 54 GLY HA2 H 60 4.222 4.100 0.122 1 1 594 . 22 1 1 A 54 54 GLY HA3 H 60 3.348 4.115 -0.767 1 1 595 . 22 1 1 A 54 54 GLY C C 60 174.096 172.837 1.259 1 1 596 . 22 1 1 A 54 54 GLY CA C 60 44.931 45.543 -0.612 1 1 597 . 22 1 1 A 54 54 GLY N N 60 114.860 106.140 8.720 1 1 598 . 22 1 1 A 55 55 ASP H H 61 7.991 8.660 -0.669 1 1 599 . 22 1 1 A 55 55 ASP HA H 61 4.493 5.034 -0.541 1 1 602 . 22 1 1 A 55 55 ASP C C 61 174.727 174.288 0.439 1 1 603 . 22 1 1 A 55 55 ASP CA C 61 54.408 53.338 1.070 1 1 604 . 22 1 1 A 55 55 ASP CB C 61 41.780 44.285 -2.505 1 1 605 . 22 1 1 A 55 55 ASP N N 61 121.974 123.145 -1.171 1 1 606 . 22 1 1 A 56 56 SER H H 62 8.485 8.888 -0.403 1 1 607 . 22 1 1 A 56 56 SER HA H 62 4.959 5.407 -0.448 1 1 610 . 22 1 1 A 56 56 SER C C 62 173.099 172.206 0.893 1 1 611 . 22 1 1 A 56 56 SER CA C 62 57.154 56.180 0.974 1 1 612 . 22 1 1 A 56 56 SER CB C 62 64.522 66.153 -1.631 1 1 613 . 22 1 1 A 56 56 SER N N 62 113.088 114.267 -1.179 1 1 614 . 22 1 1 A 57 57 LEU H H 63 9.004 9.317 -0.313 1 1 615 . 22 1 1 A 57 57 LEU HA H 63 4.500 4.965 -0.465 1 1 625 . 22 1 1 A 57 57 LEU C C 63 175.943 175.997 -0.054 1 1 626 . 22 1 1 A 57 57 LEU CA C 63 53.070 53.289 -0.219 1 1 627 . 22 1 1 A 57 57 LEU CB C 63 43.800 44.995 -1.195 1 1 630 . 22 1 1 A 57 57 LEU N N 63 126.423 124.262 2.161 1 1 631 . 22 1 1 A 58 58 ASN H H 64 8.484 8.612 -0.128 1 1 632 . 22 1 1 A 58 58 ASN HA H 64 4.752 4.737 0.015 1 1 635 . 22 1 1 A 58 58 ASN C C 64 173.916 175.314 -1.398 1 1 636 . 22 1 1 A 58 58 ASN CA C 64 50.587 53.427 -2.840 1 1 637 . 22 1 1 A 58 58 ASN CB C 64 35.153 39.631 -4.478 1 1 638 . 22 1 1 A 58 58 ASN N N 64 125.624 124.692 0.932 1 1 639 . 22 1 1 A 59 59 THR H H 65 7.747 8.574 -0.827 1 1 640 . 22 1 1 A 59 59 THR HA H 65 4.770 4.706 0.064 1 1 645 . 22 1 1 A 59 59 THR C C 65 177.245 174.587 2.658 1 1 646 . 22 1 1 A 59 59 THR CA C 65 63.213 62.021 1.192 1 1 647 . 22 1 1 A 59 59 THR CB C 65 63.510 71.298 -7.788 1 1 649 . 22 1 1 A 59 59 THR N N 65 113.770 115.992 -2.222 1 1 650 . 22 1 1 A 60 60 GLY H H 66 8.869 8.496 0.373 1 1 651 . 22 1 1 A 60 60 GLY HA2 H 66 3.839 3.899 -0.060 1 1 652 . 22 1 1 A 60 60 GLY HA3 H 66 3.724 3.903 -0.179 1 1 653 . 22 1 1 A 60 60 GLY C C 66 173.279 175.435 -2.156 1 1 654 . 22 1 1 A 60 60 GLY CA C 66 44.892 46.279 -1.387 1 1 655 . 22 1 1 A 60 60 GLY N N 66 114.430 110.106 4.324 1 1 656 . 22 1 1 A 61 61 LYS H H 67 6.376 8.685 -2.309 1 1 657 . 22 1 1 A 61 61 LYS HA H 67 4.021 4.200 -0.179 1 1 666 . 22 1 1 A 61 61 LYS C C 67 176.315 176.666 -0.351 1 1 667 . 22 1 1 A 61 61 LYS CA C 67 54.298 59.055 -4.757 1 1 668 . 22 1 1 A 61 61 LYS CB C 67 32.200 32.732 -0.532 1 1 672 . 22 1 1 A 61 61 LYS N N 67 112.620 125.400 -12.780 1 1 673 . 22 1 1 A 62 62 LEU H H 68 7.335 7.934 -0.599 1 1 674 . 22 1 1 A 62 62 LEU HA H 68 4.275 3.953 0.322 1 1 684 . 22 1 1 A 62 62 LEU C C 68 176.306 176.087 0.219 1 1 685 . 22 1 1 A 62 62 LEU CA C 68 52.479 55.626 -3.147 1 1 686 . 22 1 1 A 62 62 LEU CB C 68 40.600 40.606 -0.006 1 1 689 . 22 1 1 A 62 62 LEU N N 68 116.704 120.170 -3.466 1 1 690 . 22 1 1 A 63 63 LYS H H 69 8.506 7.911 0.595 1 1 691 . 22 1 1 A 63 63 LYS HA H 69 3.992 4.300 -0.308 1 1 700 . 22 1 1 A 63 63 LYS C C 69 175.886 176.303 -0.417 1 1 701 . 22 1 1 A 63 63 LYS CA C 69 54.986 56.317 -1.331 1 1 702 . 22 1 1 A 63 63 LYS CB C 69 32.447 33.265 -0.818 1 1 706 . 22 1 1 A 63 63 LYS N N 69 119.841 117.467 2.374 1 1 707 . 22 1 1 A 64 64 ASN H H 70 8.080 9.077 -0.997 1 1 708 . 22 1 1 A 64 64 ASN HA H 70 3.839 4.415 -0.576 1 1 713 . 22 1 1 A 64 64 ASN C C 70 174.449 174.343 0.106 1 1 714 . 22 1 1 A 64 64 ASN CA C 70 54.417 54.544 -0.127 1 1 715 . 22 1 1 A 64 64 ASN CB C 70 38.129 36.775 1.354 1 1 716 . 22 1 1 A 64 64 ASN N N 70 121.515 115.487 6.028 1 1 718 . 22 1 1 A 65 65 ASP H H 71 9.218 8.570 0.648 1 1 719 . 22 1 1 A 65 65 ASP HA H 71 3.690 4.513 -0.823 1 1 722 . 22 1 1 A 65 65 ASP C C 71 173.016 174.999 -1.983 1 1 723 . 22 1 1 A 65 65 ASP CA C 71 54.726 55.204 -0.478 1 1 724 . 22 1 1 A 65 65 ASP CB C 71 38.534 39.518 -0.984 1 1 725 . 22 1 1 A 65 65 ASP N N 71 113.370 110.851 2.519 1 1 726 . 22 1 1 A 66 66 LYS H H 72 6.443 8.019 -1.576 1 1 727 . 22 1 1 A 66 66 LYS HA H 72 4.411 4.999 -0.588 1 1 734 . 22 1 1 A 66 66 LYS C C 72 174.745 174.625 0.120 1 1 735 . 22 1 1 A 66 66 LYS CA C 72 53.094 54.221 -1.127 1 1 736 . 22 1 1 A 66 66 LYS CB C 72 36.099 36.183 -0.084 1 1 739 . 22 1 1 A 66 66 LYS N N 72 113.415 115.456 -2.041 1 1 740 . 22 1 1 A 67 67 VAL H H 73 8.679 8.270 0.409 1 1 741 . 22 1 1 A 67 67 VAL HA H 73 4.189 4.509 -0.320 1 1 749 . 22 1 1 A 67 67 VAL C C 73 176.630 174.470 2.160 1 1 750 . 22 1 1 A 67 67 VAL CA C 73 62.135 60.716 1.419 1 1 751 . 22 1 1 A 67 67 VAL CB C 73 32.001 33.697 -1.696 1 1 753 . 22 1 1 A 67 67 VAL N N 73 122.098 122.593 -0.495 1 1 754 . 22 1 1 A 68 68 SER H H 74 9.497 8.983 0.514 1 1 755 . 22 1 1 A 68 68 SER HA H 74 4.507 4.655 -0.148 1 1 758 . 22 1 1 A 68 68 SER C C 74 172.249 174.375 -2.126 1 1 759 . 22 1 1 A 68 68 SER CA C 74 58.323 58.307 0.016 1 1 760 . 22 1 1 A 68 68 SER CB C 74 64.028 64.054 -0.026 1 1 761 . 22 1 1 A 68 68 SER N N 74 127.048 123.542 3.506 1 1 762 . 22 1 1 A 69 69 ARG H H 75 7.848 8.472 -0.624 1 1 763 . 22 1 1 A 69 69 ARG HA H 75 5.031 4.974 0.057 1 1 770 . 22 1 1 A 69 69 ARG C C 75 173.300 175.268 -1.968 1 1 771 . 22 1 1 A 69 69 ARG CA C 75 55.337 55.078 0.259 1 1 772 . 22 1 1 A 69 69 ARG CB C 75 31.871 31.735 0.136 1 1 775 . 22 1 1 A 69 69 ARG N N 75 122.621 121.681 0.940 1 1 776 . 22 1 1 A 70 70 PHE H H 76 9.246 8.895 0.351 1 1 777 . 22 1 1 A 70 70 PHE HA H 76 4.808 5.003 -0.195 1 1 784 . 22 1 1 A 70 70 PHE C C 76 175.788 174.153 1.635 1 1 785 . 22 1 1 A 70 70 PHE CA C 76 55.245 56.573 -1.328 1 1 786 . 22 1 1 A 70 70 PHE CB C 76 43.645 43.287 0.358 1 1 787 . 22 1 1 A 70 70 PHE N N 76 118.087 120.895 -2.808 1 1 788 . 22 1 1 A 71 71 ASP H H 77 9.144 9.246 -0.102 1 1 789 . 22 1 1 A 71 71 ASP HA H 77 5.360 5.070 0.290 1 1 792 . 22 1 1 A 71 71 ASP C C 77 176.477 175.427 1.050 1 1 793 . 22 1 1 A 71 71 ASP CA C 77 55.131 53.976 1.155 1 1 794 . 22 1 1 A 71 71 ASP CB C 77 41.301 42.401 -1.100 1 1 795 . 22 1 1 A 71 71 ASP N N 77 123.565 123.370 0.195 1 1 796 . 22 1 1 A 72 72 PHE H H 78 9.094 8.851 0.243 1 1 797 . 22 1 1 A 72 72 PHE HA H 78 6.431 5.209 1.222 1 1 805 . 22 1 1 A 72 72 PHE C C 78 174.014 173.635 0.379 1 1 806 . 22 1 1 A 72 72 PHE CA C 78 54.934 56.175 -1.241 1 1 807 . 22 1 1 A 72 72 PHE CB C 78 42.491 42.099 0.392 1 1 808 . 22 1 1 A 72 72 PHE N N 78 119.663 126.254 -6.591 1 1 809 . 22 1 1 A 73 73 ILE H H 79 8.623 9.176 -0.553 1 1 810 . 22 1 1 A 73 73 ILE HA H 79 4.334 4.986 -0.652 1 1 820 . 22 1 1 A 73 73 ILE C C 79 173.961 174.841 -0.880 1 1 821 . 22 1 1 A 73 73 ILE CA C 79 61.222 59.989 1.233 1 1 822 . 22 1 1 A 73 73 ILE CB C 79 41.918 40.613 1.305 1 1 826 . 22 1 1 A 73 73 ILE N N 79 119.750 128.243 -8.493 1 1 827 . 22 1 1 A 74 74 ARG H H 80 9.052 9.013 0.039 1 1 828 . 22 1 1 A 74 74 ARG HA H 80 5.311 5.026 0.285 1 1 835 . 22 1 1 A 74 74 ARG C C 80 174.870 175.165 -0.295 1 1 836 . 22 1 1 A 74 74 ARG CA C 80 54.449 54.599 -0.150 1 1 837 . 22 1 1 A 74 74 ARG CB C 80 33.740 32.861 0.879 1 1 840 . 22 1 1 A 74 74 ARG N N 80 128.407 124.621 3.786 1 1 841 . 22 1 1 A 75 75 GLN H H 81 9.304 8.997 0.307 1 1 842 . 22 1 1 A 75 75 GLN HA H 81 5.562 5.216 0.346 1 1 849 . 22 1 1 A 75 75 GLN C C 81 173.678 174.564 -0.886 1 1 850 . 22 1 1 A 75 75 GLN CA C 81 53.745 54.202 -0.457 1 1 851 . 22 1 1 A 75 75 GLN CB C 81 34.013 32.220 1.793 1 1 853 . 22 1 1 A 75 75 GLN N N 81 125.481 122.814 2.667 1 1 855 . 22 1 1 A 76 76 ILE H H 82 8.592 8.649 -0.057 1 1 856 . 22 1 1 A 76 76 ILE HA H 82 4.576 4.765 -0.189 1 1 866 . 22 1 1 A 76 76 ILE C C 82 172.511 173.529 -1.018 1 1 867 . 22 1 1 A 76 76 ILE CA C 82 59.622 59.156 0.466 1 1 868 . 22 1 1 A 76 76 ILE CB C 82 42.248 41.722 0.526 1 1 872 . 22 1 1 A 76 76 ILE N N 82 115.536 121.733 -6.197 1 1 873 . 22 1 1 A 77 77 GLU H H 83 8.433 8.570 -0.137 1 1 874 . 22 1 1 A 77 77 GLU HA H 83 4.936 4.597 0.339 1 1 879 . 22 1 1 A 77 77 GLU C C 83 175.614 175.541 0.073 1 1 880 . 22 1 1 A 77 77 GLU CA C 83 54.812 55.274 -0.462 1 1 881 . 22 1 1 A 77 77 GLU CB C 83 30.465 28.240 2.225 1 1 883 . 22 1 1 A 77 77 GLU N N 83 124.858 129.090 -4.232 1 1 884 . 22 1 1 A 78 78 VAL H H 84 8.879 7.906 0.973 1 1 885 . 22 1 1 A 78 78 VAL HA H 84 4.076 3.974 0.102 1 1 893 . 22 1 1 A 78 78 VAL C C 84 175.694 175.512 0.182 1 1 894 . 22 1 1 A 78 78 VAL CA C 84 61.382 62.766 -1.384 1 1 895 . 22 1 1 A 78 78 VAL CB C 84 34.014 31.580 2.434 1 1 897 . 22 1 1 A 78 78 VAL N N 84 126.973 121.488 5.485 1 1 898 . 22 1 1 A 79 79 ASP H H 85 9.329 9.511 -0.182 1 1 899 . 22 1 1 A 79 79 ASP HA H 85 4.156 4.320 -0.164 1 1 902 . 22 1 1 A 79 79 ASP C C 85 175.774 176.164 -0.390 1 1 903 . 22 1 1 A 79 79 ASP CA C 85 55.125 55.394 -0.269 1 1 904 . 22 1 1 A 79 79 ASP CB C 85 38.926 39.407 -0.481 1 1 905 . 22 1 1 A 79 79 ASP N N 85 129.387 122.312 7.075 1 1 906 . 22 1 1 A 80 80 GLY H H 86 8.575 8.526 0.049 1 1 907 . 22 1 1 A 80 80 GLY HA2 H 86 3.992 3.848 0.144 1 1 908 . 22 1 1 A 80 80 GLY HA3 H 86 3.507 3.848 -0.341 1 1 909 . 22 1 1 A 80 80 GLY C C 86 173.366 173.738 -0.372 1 1 910 . 22 1 1 A 80 80 GLY CA C 86 44.759 45.486 -0.727 1 1 911 . 22 1 1 A 80 80 GLY N N 86 103.293 105.109 -1.816 1 1 912 . 22 1 1 A 81 81 GLN H H 87 7.751 8.082 -0.331 1 1 913 . 22 1 1 A 81 81 GLN HA H 87 4.482 4.645 -0.163 1 1 918 . 22 1 1 A 81 81 GLN C C 87 173.874 174.523 -0.649 1 1 919 . 22 1 1 A 81 81 GLN CA C 87 53.328 54.464 -1.136 1 1 920 . 22 1 1 A 81 81 GLN CB C 87 30.670 30.724 -0.054 1 1 922 . 22 1 1 A 81 81 GLN N N 87 119.688 119.462 0.226 1 1 923 . 22 1 1 A 82 82 LEU H H 88 8.418 8.617 -0.199 1 1 924 . 22 1 1 A 82 82 LEU HA H 88 4.630 4.810 -0.180 1 1 934 . 22 1 1 A 82 82 LEU C C 88 176.289 174.677 1.612 1 1 935 . 22 1 1 A 82 82 LEU CA C 88 53.834 54.354 -0.520 1 1 936 . 22 1 1 A 82 82 LEU CB C 88 41.737 43.213 -1.476 1 1 940 . 22 1 1 A 82 82 LEU N N 88 123.523 125.503 -1.980 1 1 941 . 22 1 1 A 83 83 ILE H H 89 9.146 8.771 0.375 1 1 942 . 22 1 1 A 83 83 ILE HA H 89 4.249 5.015 -0.766 1 1 952 . 22 1 1 A 83 83 ILE C C 89 175.698 175.142 0.556 1 1 953 . 22 1 1 A 83 83 ILE CA C 89 59.363 59.777 -0.414 1 1 954 . 22 1 1 A 83 83 ILE CB C 89 39.633 40.259 -0.626 1 1 958 . 22 1 1 A 83 83 ILE N N 89 127.151 129.028 -1.877 1 1 959 . 22 1 1 A 84 84 THR H H 90 8.656 8.679 -0.023 1 1 960 . 22 1 1 A 84 84 THR HA H 90 4.203 4.673 -0.470 1 1 965 . 22 1 1 A 84 84 THR C C 90 172.890 173.780 -0.890 1 1 966 . 22 1 1 A 84 84 THR CA C 90 62.641 61.520 1.121 1 1 967 . 22 1 1 A 84 84 THR CB C 90 68.634 68.987 -0.353 1 1 969 . 22 1 1 A 84 84 THR N N 90 123.099 120.188 2.911 1 1 970 . 22 1 1 A 85 85 LEU H H 91 8.967 8.517 0.450 1 1 971 . 22 1 1 A 85 85 LEU HA H 91 4.256 4.667 -0.411 1 1 980 . 22 1 1 A 85 85 LEU C C 91 177.371 175.800 1.571 1 1 981 . 22 1 1 A 85 85 LEU CA C 91 55.527 54.255 1.272 1 1 982 . 22 1 1 A 85 85 LEU CB C 91 44.315 43.794 0.521 1 1 984 . 22 1 1 A 85 85 LEU N N 91 125.333 127.978 -2.645 1 1 985 . 22 1 1 A 86 86 GLU H H 92 7.503 7.820 -0.317 1 1 986 . 22 1 1 A 86 86 GLU HA H 92 5.026 4.944 0.082 1 1 991 . 22 1 1 A 86 86 GLU C C 92 172.723 176.159 -3.436 1 1 992 . 22 1 1 A 86 86 GLU CA C 92 54.670 55.261 -0.591 1 1 993 . 22 1 1 A 86 86 GLU CB C 92 33.717 31.106 2.611 1 1 995 . 22 1 1 A 86 86 GLU N N 92 116.655 120.529 -3.874 1 1 996 . 22 1 1 A 87 87 SER H H 93 8.954 8.758 0.196 1 1 997 . 22 1 1 A 87 87 SER HA H 93 4.245 5.290 -1.045 1 1 1000 . 22 1 1 A 87 87 SER C C 93 172.763 173.356 -0.593 1 1 1001 . 22 1 1 A 87 87 SER CA C 93 57.328 57.561 -0.233 1 1 1002 . 22 1 1 A 87 87 SER CB C 93 65.493 67.347 -1.854 1 1 1003 . 22 1 1 A 87 87 SER N N 93 117.941 119.913 -1.972 1 1 1004 . 22 1 1 A 88 88 GLY H H 94 6.932 8.660 -1.728 1 1 1005 . 22 1 1 A 88 88 GLY HA2 H 94 3.694 4.324 -0.630 1 1 1006 . 22 1 1 A 88 88 GLY HA3 H 94 3.694 4.324 -0.630 1 1 1007 . 22 1 1 A 88 88 GLY C C 94 171.117 172.108 -0.991 1 1 1008 . 22 1 1 A 88 88 GLY CA C 94 46.575 46.214 0.361 1 1 1009 . 22 1 1 A 88 88 GLY N N 94 108.625 109.668 -1.043 1 1 1010 . 22 1 1 A 89 89 GLU H H 95 9.669 9.108 0.561 1 1 1011 . 22 1 1 A 89 89 GLU HA H 95 5.642 5.019 0.623 1 1 1016 . 22 1 1 A 89 89 GLU C C 95 173.226 175.554 -2.328 1 1 1017 . 22 1 1 A 89 89 GLU CA C 95 54.786 55.657 -0.871 1 1 1018 . 22 1 1 A 89 89 GLU CB C 95 34.334 32.458 1.876 1 1 1020 . 22 1 1 A 89 89 GLU N N 95 128.231 121.860 6.371 1 1 1021 . 22 1 1 A 90 90 PHE H H 96 10.365 8.997 1.368 1 1 1022 . 22 1 1 A 90 90 PHE HA H 96 5.048 4.919 0.129 1 1 1029 . 22 1 1 A 90 90 PHE C C 96 173.039 173.504 -0.465 1 1 1030 . 22 1 1 A 90 90 PHE CA C 96 54.616 57.957 -3.341 1 1 1031 . 22 1 1 A 90 90 PHE CB C 96 42.090 41.964 0.126 1 1 1032 . 22 1 1 A 90 90 PHE N N 96 131.583 123.200 8.383 1 1 1033 . 22 1 1 A 91 91 GLN H H 97 8.685 8.610 0.075 1 1 1034 . 22 1 1 A 91 91 GLN HA H 97 4.959 5.101 -0.142 1 1 1041 . 22 1 1 A 91 91 GLN C C 97 174.151 175.057 -0.906 1 1 1042 . 22 1 1 A 91 91 GLN CA C 97 53.174 54.827 -1.653 1 1 1043 . 22 1 1 A 91 91 GLN CB C 97 28.812 30.840 -2.028 1 1 1045 . 22 1 1 A 91 91 GLN N N 97 126.465 125.762 0.703 1 1 1047 . 22 1 1 A 92 92 VAL H H 98 8.675 8.943 -0.268 1 1 1048 . 22 1 1 A 92 92 VAL HA H 98 4.569 4.474 0.095 1 1 1056 . 22 1 1 A 92 92 VAL C C 98 173.802 174.802 -1.000 1 1 1057 . 22 1 1 A 92 92 VAL CA C 98 59.715 61.570 -1.855 1 1 1058 . 22 1 1 A 92 92 VAL CB C 98 35.074 33.665 1.409 1 1 1061 . 22 1 1 A 92 92 VAL N N 98 118.841 124.553 -5.712 1 1 1062 . 22 1 1 A 93 93 TYR H H 99 8.896 8.653 0.243 1 1 1063 . 22 1 1 A 93 93 TYR HA H 99 4.940 4.645 0.295 1 1 1070 . 22 1 1 A 93 93 TYR C C 99 173.330 175.644 -2.314 1 1 1071 . 22 1 1 A 93 93 TYR CA C 99 56.948 59.018 -2.070 1 1 1072 . 22 1 1 A 93 93 TYR CB C 99 40.780 39.458 1.322 1 1 1073 . 22 1 1 A 93 93 TYR N N 99 127.563 127.185 0.378 1 1 1074 . 22 1 1 A 94 94 LYS H H 100 5.813 8.779 -2.966 1 1 1075 . 22 1 1 A 94 94 LYS HA H 100 4.248 5.276 -1.028 1 1 1082 . 22 1 1 A 94 94 LYS CA C 100 55.660 54.849 0.811 1 1 1083 . 22 1 1 A 94 94 LYS CB C 100 35.870 34.928 0.942 1 1 1084 . 22 1 1 A 94 94 LYS N N 100 128.378 122.475 5.903 1 1 1085 . 22 1 1 A 95 95 GLN H H 101 8.438 7.971 0.467 1 1 1086 . 22 1 1 A 95 95 GLN HA H 101 5.028 4.963 0.065 1 1 1091 . 22 1 1 A 95 95 GLN C C 101 174.080 175.231 -1.151 1 1 1092 . 22 1 1 A 95 95 GLN CA C 101 54.043 54.511 -0.468 1 1 1093 . 22 1 1 A 95 95 GLN CB C 101 27.209 31.941 -4.732 1 1 1095 . 22 1 1 A 95 95 GLN N N 101 125.809 122.971 2.838 1 1 1096 . 22 1 1 A 96 96 SER H H 102 9.057 8.683 0.374 1 1 1097 . 22 1 1 A 96 96 SER HA H 102 3.041 4.101 -1.060 1 1 1100 . 22 1 1 A 96 96 SER CA C 102 62.985 62.374 0.611 1 1 1101 . 22 1 1 A 96 96 SER CB C 102 63.242 62.964 0.278 1 1 1102 . 22 1 1 A 96 96 SER N N 102 117.650 116.102 1.548 1 1 1103 . 22 1 1 A 97 97 HIS H H 103 10.115 8.236 1.879 1 1 1104 . 22 1 1 A 97 97 HIS HA H 103 4.406 4.866 -0.460 1 1 1109 . 22 1 1 A 97 97 HIS CA C 103 53.809 55.855 -2.046 1 1 1110 . 22 1 1 A 97 97 HIS CB C 103 30.329 31.189 -0.860 1 1 1111 . 22 1 1 A 97 97 HIS N N 103 118.385 113.919 4.466 1 1 1112 . 22 1 1 A 98 98 SER H H 104 7.241 7.801 -0.560 1 1 1113 . 22 1 1 A 98 98 SER HA H 104 4.406 5.418 -1.012 1 1 1116 . 22 1 1 A 98 98 SER CA C 104 56.712 57.586 -0.874 1 1 1117 . 22 1 1 A 98 98 SER CB C 104 65.461 66.200 -0.739 1 1 1118 . 22 1 1 A 98 98 SER N N 104 112.298 115.088 -2.790 1 1 1119 . 22 1 1 A 99 99 ALA H H 105 8.418 8.738 -0.320 1 1 1120 . 22 1 1 A 99 99 ALA HA H 105 4.753 5.154 -0.401 1 1 1124 . 22 1 1 A 99 99 ALA C C 105 173.181 176.086 -2.905 1 1 1125 . 22 1 1 A 99 99 ALA CA C 105 51.363 51.571 -0.208 1 1 1126 . 22 1 1 A 99 99 ALA CB C 105 22.271 23.238 -0.967 1 1 1127 . 22 1 1 A 99 99 ALA N N 105 116.790 124.042 -7.252 1 1 1128 . 22 1 1 A 100 100 LEU H H 106 8.376 8.821 -0.445 1 1 1129 . 22 1 1 A 100 100 LEU HA H 106 5.549 5.528 0.021 1 1 1139 . 22 1 1 A 100 100 LEU C C 106 175.338 174.736 0.602 1 1 1140 . 22 1 1 A 100 100 LEU CA C 106 53.753 53.133 0.620 1 1 1141 . 22 1 1 A 100 100 LEU CB C 106 46.393 46.570 -0.177 1 1 1145 . 22 1 1 A 100 100 LEU N N 106 115.214 117.956 -2.742 1 1 1146 . 22 1 1 A 101 101 THR H H 107 8.685 8.810 -0.125 1 1 1147 . 22 1 1 A 101 101 THR HA H 107 5.287 5.150 0.137 1 1 1152 . 22 1 1 A 101 101 THR C C 107 172.493 172.873 -0.380 1 1 1153 . 22 1 1 A 101 101 THR CA C 107 57.069 59.945 -2.876 1 1 1154 . 22 1 1 A 101 101 THR CB C 107 71.308 71.429 -0.121 1 1 1156 . 22 1 1 A 101 101 THR N N 107 109.441 116.975 -7.534 1 1 1157 . 22 1 1 A 102 102 ALA H H 108 8.459 8.786 -0.327 1 1 1158 . 22 1 1 A 102 102 ALA HA H 108 4.366 5.110 -0.744 1 1 1162 . 22 1 1 A 102 102 ALA C C 108 173.439 175.417 -1.978 1 1 1163 . 22 1 1 A 102 102 ALA CA C 108 51.015 49.900 1.115 1 1 1164 . 22 1 1 A 102 102 ALA CB C 108 23.424 22.657 0.767 1 1 1165 . 22 1 1 A 102 102 ALA N N 108 120.716 129.390 -8.674 1 1 1166 . 22 1 1 A 103 103 PHE H H 109 8.510 8.988 -0.478 1 1 1167 . 22 1 1 A 103 103 PHE HA H 109 4.715 5.097 -0.382 1 1 1175 . 22 1 1 A 103 103 PHE C C 109 174.173 175.194 -1.021 1 1 1176 . 22 1 1 A 103 103 PHE CA C 109 56.640 56.533 0.107 1 1 1177 . 22 1 1 A 103 103 PHE CB C 109 41.926 41.627 0.299 1 1 1178 . 22 1 1 A 103 103 PHE N N 109 115.041 120.190 -5.149 1 1 1179 . 22 1 1 A 104 104 GLN H H 110 9.832 8.371 1.461 1 1 1180 . 22 1 1 A 104 104 GLN HA H 110 5.226 4.911 0.315 1 1 1187 . 22 1 1 A 104 104 GLN C C 110 175.186 174.135 1.051 1 1 1188 . 22 1 1 A 104 104 GLN CA C 110 53.213 55.573 -2.360 1 1 1189 . 22 1 1 A 104 104 GLN CB C 110 29.161 30.026 -0.865 1 1 1191 . 22 1 1 A 104 104 GLN N N 110 124.526 122.113 2.413 1 1 1193 . 22 1 1 A 105 105 THR H H 111 9.566 8.880 0.686 1 1 1194 . 22 1 1 A 105 105 THR HA H 111 4.186 4.755 -0.569 1 1 1199 . 22 1 1 A 105 105 THR C C 111 174.538 174.400 0.138 1 1 1200 . 22 1 1 A 105 105 THR CA C 111 66.408 60.690 5.718 1 1 1201 . 22 1 1 A 105 105 THR CB C 111 69.385 70.664 -1.279 1 1 1203 . 22 1 1 A 105 105 THR N N 111 126.760 121.378 5.382 1 1 1204 . 22 1 1 A 106 106 GLU H H 112 9.303 8.845 0.458 1 1 1205 . 22 1 1 A 106 106 GLU HA H 112 4.811 4.657 0.154 1 1 1210 . 22 1 1 A 106 106 GLU C C 112 177.397 176.435 0.962 1 1 1211 . 22 1 1 A 106 106 GLU CA C 112 56.227 56.789 -0.562 1 1 1212 . 22 1 1 A 106 106 GLU CB C 112 31.283 31.502 -0.219 1 1 1214 . 22 1 1 A 106 106 GLU N N 112 121.685 124.136 -2.451 1 1 1215 . 22 1 1 A 107 107 GLN H H 113 7.954 7.898 0.056 1 1 1216 . 22 1 1 A 107 107 GLN HA H 113 5.233 5.003 0.230 1 1 1221 . 22 1 1 A 107 107 GLN C C 113 173.999 173.746 0.253 1 1 1222 . 22 1 1 A 107 107 GLN CA C 113 53.837 54.668 -0.831 1 1 1223 . 22 1 1 A 107 107 GLN CB C 113 32.543 32.121 0.422 1 1 1225 . 22 1 1 A 107 107 GLN N N 113 117.612 116.051 1.561 1 1 1226 . 22 1 1 A 108 108 ILE H H 114 8.969 8.712 0.257 1 1 1227 . 22 1 1 A 108 108 ILE HA H 114 4.907 4.823 0.084 1 1 1237 . 22 1 1 A 108 108 ILE C C 114 174.089 174.171 -0.082 1 1 1238 . 22 1 1 A 108 108 ILE CA C 114 58.954 58.684 0.270 1 1 1239 . 22 1 1 A 108 108 ILE CB C 114 42.799 42.116 0.683 1 1 1243 . 22 1 1 A 108 108 ILE N N 114 115.049 118.612 -3.563 1 1 1244 . 22 1 1 A 109 109 GLN H H 115 7.421 8.590 -1.169 1 1 1245 . 22 1 1 A 109 109 GLN HA H 115 4.405 4.703 -0.298 1 1 1252 . 22 1 1 A 109 109 GLN C C 115 175.654 174.163 1.491 1 1 1253 . 22 1 1 A 109 109 GLN CA C 115 56.086 55.648 0.438 1 1 1254 . 22 1 1 A 109 109 GLN CB C 115 28.483 29.765 -1.282 1 1 1256 . 22 1 1 A 109 109 GLN N N 115 121.959 123.753 -1.794 1 1 1258 . 22 1 1 A 110 110 ASP H H 116 8.569 8.432 0.137 1 1 1259 . 22 1 1 A 110 110 ASP HA H 116 4.377 5.044 -0.667 1 1 1262 . 22 1 1 A 110 110 ASP C C 116 176.662 177.105 -0.443 1 1 1263 . 22 1 1 A 110 110 ASP CA C 116 53.511 52.780 0.731 1 1 1264 . 22 1 1 A 110 110 ASP CB C 116 41.187 44.146 -2.959 1 1 1265 . 22 1 1 A 110 110 ASP N N 116 125.621 125.715 -0.094 1 1 1266 . 22 1 1 A 111 111 SER H H 117 8.445 8.661 -0.216 1 1 1267 . 22 1 1 A 111 111 SER HA H 117 4.024 4.452 -0.428 1 1 1270 . 22 1 1 A 111 111 SER C C 117 174.783 176.085 -1.302 1 1 1271 . 22 1 1 A 111 111 SER CA C 117 60.782 59.530 1.252 1 1 1272 . 22 1 1 A 111 111 SER CB C 117 62.560 63.641 -1.081 1 1 1273 . 22 1 1 A 111 111 SER N N 117 120.732 120.447 0.285 1 1 1274 . 22 1 1 A 112 112 GLU H H 118 8.246 8.179 0.067 1 1 1275 . 22 1 1 A 112 112 GLU HA H 118 4.044 4.199 -0.155 1 1 1280 . 22 1 1 A 112 112 GLU C C 118 175.899 176.814 -0.915 1 1 1281 . 22 1 1 A 112 112 GLU CA C 118 56.016 58.623 -2.607 1 1 1282 . 22 1 1 A 112 112 GLU CB C 118 29.853 29.818 0.035 1 1 1284 . 22 1 1 A 112 112 GLU N N 118 119.367 121.553 -2.186 1 1 1285 . 22 1 1 A 113 113 HIS H H 119 7.418 7.858 -0.440 1 1 1286 . 22 1 1 A 113 113 HIS HA H 119 4.607 4.749 -0.142 1 1 1291 . 22 1 1 A 113 113 HIS C C 119 173.527 174.947 -1.420 1 1 1292 . 22 1 1 A 113 113 HIS CA C 119 54.515 55.083 -0.568 1 1 1293 . 22 1 1 A 113 113 HIS CB C 119 28.667 30.633 -1.966 1 1 1294 . 22 1 1 A 113 113 HIS N N 119 117.287 119.089 -1.802 1 1 1295 . 22 1 1 A 114 114 SER H H 120 8.398 8.221 0.177 1 1 1296 . 22 1 1 A 114 114 SER HA H 120 4.183 4.019 0.164 1 1 1299 . 22 1 1 A 114 114 SER C C 120 175.690 173.771 1.919 1 1 1300 . 22 1 1 A 114 114 SER CA C 120 59.149 59.290 -0.141 1 1 1301 . 22 1 1 A 114 114 SER CB C 120 62.820 62.325 0.495 1 1 1302 . 22 1 1 A 114 114 SER N N 120 116.771 115.662 1.109 1 1 1303 . 22 1 1 A 115 115 GLY H H 121 8.733 8.646 0.087 1 1 1304 . 22 1 1 A 115 115 GLY HA2 H 121 4.052 4.086 -0.034 1 1 1305 . 22 1 1 A 115 115 GLY HA3 H 121 3.724 4.097 -0.373 1 1 1306 . 22 1 1 A 115 115 GLY C C 121 173.540 174.682 -1.142 1 1 1307 . 22 1 1 A 115 115 GLY CA C 121 44.692 45.349 -0.657 1 1 1308 . 22 1 1 A 115 115 GLY N N 121 112.197 106.458 5.739 1 1 1309 . 22 1 1 A 116 116 LYS H H 122 7.796 7.429 0.367 1 1 1310 . 22 1 1 A 116 116 LYS HA H 122 4.465 4.449 0.016 1 1 1317 . 22 1 1 A 116 116 LYS C C 122 175.090 175.259 -0.169 1 1 1318 . 22 1 1 A 116 116 LYS CA C 122 55.122 55.967 -0.845 1 1 1319 . 22 1 1 A 116 116 LYS CB C 122 33.861 34.400 -0.539 1 1 1322 . 22 1 1 A 116 116 LYS N N 122 120.212 120.189 0.023 1 1 1323 . 22 1 1 A 117 117 MET H H 123 8.348 8.597 -0.249 1 1 1324 . 22 1 1 A 117 117 MET HA H 123 5.082 5.162 -0.080 1 1 1332 . 22 1 1 A 117 117 MET C C 123 176.210 174.771 1.439 1 1 1333 . 22 1 1 A 117 117 MET CA C 123 52.928 54.120 -1.192 1 1 1334 . 22 1 1 A 117 117 MET CB C 123 33.841 35.681 -1.840 1 1 1337 . 22 1 1 A 117 117 MET N N 123 119.755 120.593 -0.838 1 1 1338 . 22 1 1 A 118 118 VAL H H 124 9.242 9.110 0.132 1 1 1339 . 22 1 1 A 118 118 VAL HA H 124 4.469 4.812 -0.343 1 1 1347 . 22 1 1 A 118 118 VAL C C 124 173.967 174.456 -0.489 1 1 1348 . 22 1 1 A 118 118 VAL CA C 124 59.056 59.545 -0.489 1 1 1349 . 22 1 1 A 118 118 VAL CB C 124 34.376 35.563 -1.187 1 1 1351 . 22 1 1 A 118 118 VAL N N 124 118.546 120.440 -1.894 1 1 1352 . 22 1 1 A 119 119 ALA H H 125 8.327 8.541 -0.214 1 1 1353 . 22 1 1 A 119 119 ALA HA H 125 4.624 4.459 0.165 1 1 1357 . 22 1 1 A 119 119 ALA C C 125 177.165 176.234 0.931 1 1 1358 . 22 1 1 A 119 119 ALA CA C 125 52.043 51.599 0.444 1 1 1359 . 22 1 1 A 119 119 ALA CB C 125 18.232 17.303 0.929 1 1 1360 . 22 1 1 A 119 119 ALA N N 125 125.947 126.727 -0.780 1 1 1361 . 22 1 1 A 120 120 LYS H H 126 7.604 7.784 -0.180 1 1 1362 . 22 1 1 A 120 120 LYS HA H 126 4.046 4.539 -0.493 1 1 1371 . 22 1 1 A 120 120 LYS C C 126 172.631 177.204 -4.573 1 1 1372 . 22 1 1 A 120 120 LYS CA C 126 56.023 55.288 0.735 1 1 1373 . 22 1 1 A 120 120 LYS CB C 126 34.482 30.573 3.909 1 1 1377 . 22 1 1 A 120 120 LYS N N 126 126.149 121.940 4.209 1 1 1378 . 22 1 1 A 121 121 ARG H H 127 8.308 8.368 -0.060 1 1 1379 . 22 1 1 A 121 121 ARG HA H 127 4.901 4.496 0.405 1 1 1384 . 22 1 1 A 121 121 ARG C C 127 176.253 175.437 0.816 1 1 1385 . 22 1 1 A 121 121 ARG CA C 127 55.564 56.236 -0.672 1 1 1386 . 22 1 1 A 121 121 ARG CB C 127 28.273 29.474 -1.201 1 1 1388 . 22 1 1 A 121 121 ARG N N 127 122.760 120.884 1.876 1 1 1389 . 22 1 1 A 122 122 GLN H H 128 7.529 8.500 -0.971 1 1 1390 . 22 1 1 A 122 122 GLN HA H 128 4.541 4.784 -0.243 1 1 1397 . 22 1 1 A 122 122 GLN C C 128 172.163 174.541 -2.378 1 1 1398 . 22 1 1 A 122 122 GLN CA C 128 54.218 55.516 -1.298 1 1 1399 . 22 1 1 A 122 122 GLN CB C 128 32.064 29.042 3.022 1 1 1401 . 22 1 1 A 122 122 GLN N N 128 121.022 121.053 -0.031 1 1 1403 . 22 1 1 A 123 123 PHE H H 129 8.620 9.111 -0.491 1 1 1404 . 22 1 1 A 123 123 PHE HA H 129 6.040 5.517 0.523 1 1 1411 . 22 1 1 A 123 123 PHE C C 129 174.530 174.001 0.529 1 1 1412 . 22 1 1 A 123 123 PHE CA C 129 56.026 56.676 -0.650 1 1 1413 . 22 1 1 A 123 123 PHE CB C 129 42.143 42.597 -0.454 1 1 1414 . 22 1 1 A 123 123 PHE N N 129 125.540 126.580 -1.040 1 1 1415 . 22 1 1 A 124 124 ARG H H 130 8.018 8.115 -0.097 1 1 1416 . 22 1 1 A 124 124 ARG HA H 130 4.366 4.470 -0.104 1 1 1423 . 22 1 1 A 124 124 ARG C C 130 172.139 173.210 -1.071 1 1 1424 . 22 1 1 A 124 124 ARG CA C 130 53.422 54.332 -0.910 1 1 1425 . 22 1 1 A 124 124 ARG CB C 130 32.310 33.816 -1.506 1 1 1428 . 22 1 1 A 124 124 ARG N N 130 125.264 123.944 1.320 1 1 1429 . 22 1 1 A 125 125 ILE H H 131 8.462 7.901 0.561 1 1 1430 . 22 1 1 A 125 125 ILE HA H 131 3.883 5.015 -1.132 1 1 1440 . 22 1 1 A 125 125 ILE C C 131 175.487 175.140 0.347 1 1 1441 . 22 1 1 A 125 125 ILE CA C 131 58.339 59.238 -0.899 1 1 1442 . 22 1 1 A 125 125 ILE CB C 131 35.673 40.790 -5.117 1 1 1446 . 22 1 1 A 125 125 ILE N N 131 121.887 121.301 0.586 1 1 1447 . 22 1 1 A 126 126 GLY H H 132 8.814 8.114 0.700 1 1 1448 . 22 1 1 A 126 126 GLY HA2 H 132 4.062 4.142 -0.080 1 1 1449 . 22 1 1 A 126 126 GLY HA3 H 132 4.062 4.169 -0.107 1 1 1450 . 22 1 1 A 126 126 GLY C C 132 171.583 173.122 -1.539 1 1 1451 . 22 1 1 A 126 126 GLY CA C 132 44.157 45.700 -1.543 1 1 1452 . 22 1 1 A 126 126 GLY N N 132 115.675 114.923 0.752 1 1 1453 . 22 1 1 A 127 127 ASP H H 133 7.914 8.050 -0.136 1 1 1454 . 22 1 1 A 127 127 ASP HA H 133 4.584 5.070 -0.486 1 1 1457 . 22 1 1 A 127 127 ASP C C 133 174.132 174.871 -0.739 1 1 1458 . 22 1 1 A 127 127 ASP CA C 133 54.822 53.214 1.608 1 1 1459 . 22 1 1 A 127 127 ASP CB C 133 45.407 43.699 1.708 1 1 1460 . 22 1 1 A 127 127 ASP N N 133 123.737 120.121 3.616 1 1 1461 . 22 1 1 A 128 128 ILE H H 134 8.258 9.167 -0.909 1 1 1462 . 22 1 1 A 128 128 ILE HA H 134 4.392 5.064 -0.672 1 1 1472 . 22 1 1 A 128 128 ILE C C 134 174.799 174.617 0.182 1 1 1473 . 22 1 1 A 128 128 ILE CA C 134 61.596 60.130 1.466 1 1 1474 . 22 1 1 A 128 128 ILE CB C 134 37.549 40.510 -2.961 1 1 1478 . 22 1 1 A 128 128 ILE N N 134 119.105 123.953 -4.848 1 1 1479 . 22 1 1 A 129 129 ALA H H 135 8.607 9.062 -0.455 1 1 1480 . 22 1 1 A 129 129 ALA HA H 135 4.757 5.473 -0.716 1 1 1484 . 22 1 1 A 129 129 ALA C C 135 173.358 176.798 -3.440 1 1 1485 . 22 1 1 A 129 129 ALA CA C 135 50.608 50.537 0.071 1 1 1486 . 22 1 1 A 129 129 ALA CB C 135 23.348 22.782 0.566 1 1 1487 . 22 1 1 A 129 129 ALA N N 135 129.336 129.642 -0.306 1 1 1488 . 22 1 1 A 130 130 GLY H H 136 7.514 8.206 -0.692 1 1 1489 . 22 1 1 A 130 130 GLY HA2 H 136 3.551 4.097 -0.546 1 1 1490 . 22 1 1 A 130 130 GLY HA3 H 136 4.422 4.190 0.232 1 1 1491 . 22 1 1 A 130 130 GLY C C 136 172.609 171.739 0.870 1 1 1492 . 22 1 1 A 130 130 GLY CA C 136 44.315 45.911 -1.596 1 1 1493 . 22 1 1 A 130 130 GLY N N 136 101.232 108.048 -6.816 1 1 1494 . 22 1 1 A 131 131 GLU H H 137 8.225 8.378 -0.153 1 1 1495 . 22 1 1 A 131 131 GLU HA H 137 4.540 4.227 0.313 1 1 1500 . 22 1 1 A 131 131 GLU C C 137 174.864 174.937 -0.073 1 1 1501 . 22 1 1 A 131 131 GLU CA C 137 53.120 55.450 -2.330 1 1 1502 . 22 1 1 A 131 131 GLU CB C 137 28.254 28.160 0.094 1 1 1504 . 22 1 1 A 131 131 GLU N N 137 121.002 119.910 1.092 1 1 1505 . 22 1 1 A 132 132 HIS H H 138 8.054 6.937 1.117 1 1 1506 . 22 1 1 A 132 132 HIS HA H 138 4.771 5.139 -0.368 1 1 1511 . 22 1 1 A 132 132 HIS C C 138 175.411 174.119 1.292 1 1 1512 . 22 1 1 A 132 132 HIS CA C 138 57.942 54.161 3.781 1 1 1513 . 22 1 1 A 132 132 HIS CB C 138 27.710 30.639 -2.929 1 1 1514 . 22 1 1 A 132 132 HIS N N 138 124.204 116.923 7.281 1 1 1515 . 22 1 1 A 133 133 THR H H 139 9.056 8.841 0.215 1 1 1516 . 22 1 1 A 133 133 THR HA H 139 3.864 4.816 -0.952 1 1 1521 . 22 1 1 A 133 133 THR C C 139 174.178 174.643 -0.465 1 1 1522 . 22 1 1 A 133 133 THR CA C 139 63.225 61.226 1.999 1 1 1523 . 22 1 1 A 133 133 THR CB C 139 68.127 70.724 -2.597 1 1 1525 . 22 1 1 A 133 133 THR N N 139 125.345 120.527 4.818 1 1 1526 . 22 1 1 A 134 134 SER H H 140 8.834 7.558 1.276 1 1 1527 . 22 1 1 A 134 134 SER HA H 140 4.560 4.697 -0.137 1 1 1530 . 22 1 1 A 134 134 SER C C 140 176.713 174.301 2.412 1 1 1531 . 22 1 1 A 134 134 SER CA C 140 57.961 56.611 1.350 1 1 1532 . 22 1 1 A 134 134 SER CB C 140 63.030 62.914 0.116 1 1 1533 . 22 1 1 A 134 134 SER N N 140 121.791 114.282 7.509 1 1 1534 . 22 1 1 A 135 135 PHE H H 141 9.597 7.988 1.609 1 1 1535 . 22 1 1 A 135 135 PHE HA H 141 3.953 4.319 -0.366 1 1 1542 . 22 1 1 A 135 135 PHE C C 141 175.375 176.963 -1.588 1 1 1543 . 22 1 1 A 135 135 PHE CA C 141 61.339 59.410 1.929 1 1 1544 . 22 1 1 A 135 135 PHE CB C 141 39.394 37.987 1.407 1 1 1545 . 22 1 1 A 135 135 PHE N N 141 128.822 120.845 7.977 1 1 1546 . 22 1 1 A 136 136 ASP H H 142 8.017 7.164 0.853 1 1 1547 . 22 1 1 A 136 136 ASP HA H 142 4.352 4.336 0.016 1 1 1550 . 22 1 1 A 136 136 ASP C C 142 175.358 176.969 -1.611 1 1 1551 . 22 1 1 A 136 136 ASP CA C 142 55.223 56.469 -1.246 1 1 1552 . 22 1 1 A 136 136 ASP CB C 142 40.968 40.613 0.355 1 1 1553 . 22 1 1 A 136 136 ASP N N 142 113.108 121.149 -8.041 1 1 1554 . 22 1 1 A 137 137 LYS H H 143 7.340 7.438 -0.098 1 1 1555 . 22 1 1 A 137 137 LYS HA H 143 4.439 4.270 0.169 1 1 1564 . 22 1 1 A 137 137 LYS C C 143 175.571 176.297 -0.726 1 1 1565 . 22 1 1 A 137 137 LYS CA C 143 54.096 56.963 -2.867 1 1 1566 . 22 1 1 A 137 137 LYS CB C 143 32.545 32.831 -0.286 1 1 1570 . 22 1 1 A 137 137 LYS N N 143 117.716 116.338 1.378 1 1 1571 . 22 1 1 A 138 138 LEU H H 144 6.698 7.359 -0.661 1 1 1572 . 22 1 1 A 138 138 LEU HA H 144 3.903 4.480 -0.577 1 1 1582 . 22 1 1 A 138 138 LEU C C 144 174.123 174.835 -0.712 1 1 1583 . 22 1 1 A 138 138 LEU CA C 144 52.843 53.041 -0.198 1 1 1584 . 22 1 1 A 138 138 LEU CB C 144 40.993 42.764 -1.771 1 1 1588 . 22 1 1 A 138 138 LEU N N 144 120.536 121.678 -1.142 1 1 1589 . 22 1 1 A 139 139 PRO HA H 145 4.040 4.692 -0.652 1 1 1596 . 22 1 1 A 139 139 PRO C C 145 172.700 176.352 -3.652 1 1 1597 . 22 1 1 A 139 139 PRO CA C 145 62.654 62.599 0.055 1 1 1598 . 22 1 1 A 139 139 PRO CB C 145 30.086 32.955 -2.869 1 1 1601 . 22 1 1 A 140 140 GLU H H 146 8.343 8.776 -0.433 1 1 1602 . 22 1 1 A 140 140 GLU HA H 146 3.970 4.779 -0.809 1 1 1607 . 22 1 1 A 140 140 GLU C C 146 176.009 176.355 -0.346 1 1 1608 . 22 1 1 A 140 140 GLU CA C 146 56.119 56.240 -0.121 1 1 1609 . 22 1 1 A 140 140 GLU CB C 146 30.086 29.462 0.624 1 1 1611 . 22 1 1 A 140 140 GLU N N 146 119.063 119.762 -0.699 1 1 1612 . 22 1 1 A 141 141 GLY H H 147 7.241 8.566 -1.325 1 1 1613 . 22 1 1 A 141 141 GLY HA2 H 147 3.918 4.162 -0.244 1 1 1614 . 22 1 1 A 141 141 GLY HA3 H 147 3.814 4.196 -0.382 1 1 1615 . 22 1 1 A 141 141 GLY C C 147 171.657 174.971 -3.314 1 1 1616 . 22 1 1 A 141 141 GLY CA C 147 43.929 45.118 -1.189 1 1 1617 . 22 1 1 A 141 141 GLY N N 147 104.270 109.265 -4.995 1 1 1618 . 22 1 1 A 142 142 GLY H H 148 8.241 8.584 -0.343 1 1 1619 . 22 1 1 A 142 142 GLY HA2 H 148 3.710 3.927 -0.217 1 1 1620 . 22 1 1 A 142 142 GLY HA3 H 148 4.350 3.953 0.397 1 1 1621 . 22 1 1 A 142 142 GLY C C 148 171.767 174.574 -2.807 1 1 1622 . 22 1 1 A 142 142 GLY CA C 148 43.649 46.466 -2.817 1 1 1623 . 22 1 1 A 142 142 GLY N N 148 106.996 107.529 -0.533 1 1 1624 . 22 1 1 A 143 143 ARG H H 149 8.214 7.600 0.614 1 1 1625 . 22 1 1 A 143 143 ARG HA H 149 5.376 5.424 -0.048 1 1 1632 . 22 1 1 A 143 143 ARG C C 149 174.981 173.565 1.416 1 1 1633 . 22 1 1 A 143 143 ARG CA C 149 54.235 54.065 0.170 1 1 1634 . 22 1 1 A 143 143 ARG CB C 149 32.988 33.782 -0.794 1 1 1637 . 22 1 1 A 143 143 ARG N N 149 117.762 117.959 -0.197 1 1 1638 . 22 1 1 A 144 144 ALA H H 150 9.030 8.718 0.312 1 1 1639 . 22 1 1 A 144 144 ALA HA H 150 4.730 5.210 -0.480 1 1 1643 . 22 1 1 A 144 144 ALA C C 150 175.012 175.510 -0.498 1 1 1644 . 22 1 1 A 144 144 ALA CA C 150 50.732 50.205 0.527 1 1 1645 . 22 1 1 A 144 144 ALA CB C 150 23.448 23.007 0.441 1 1 1646 . 22 1 1 A 144 144 ALA N N 150 126.630 121.955 4.675 1 1 1647 . 22 1 1 A 145 145 THR H H 151 8.560 8.534 0.026 1 1 1648 . 22 1 1 A 145 145 THR HA H 151 4.846 4.834 0.012 1 1 1653 . 22 1 1 A 145 145 THR C C 151 171.870 172.971 -1.101 1 1 1654 . 22 1 1 A 145 145 THR CA C 151 61.997 61.990 0.007 1 1 1655 . 22 1 1 A 145 145 THR CB C 151 69.746 70.618 -0.872 1 1 1657 . 22 1 1 A 145 145 THR N N 151 117.942 116.972 0.970 1 1 1658 . 22 1 1 A 146 146 TYR H H 152 10.008 8.752 1.256 1 1 1659 . 22 1 1 A 146 146 TYR HA H 152 4.580 5.194 -0.614 1 1 1666 . 22 1 1 A 146 146 TYR C C 152 174.627 174.579 0.048 1 1 1667 . 22 1 1 A 146 146 TYR CA C 152 55.835 56.406 -0.571 1 1 1668 . 22 1 1 A 146 146 TYR CB C 152 40.094 43.607 -3.513 1 1 1669 . 22 1 1 A 146 146 TYR N N 152 126.097 123.639 2.458 1 1 1670 . 22 1 1 A 147 147 ARG H H 153 8.860 8.781 0.079 1 1 1671 . 22 1 1 A 147 147 ARG HA H 153 5.404 5.125 0.279 1 1 1678 . 22 1 1 A 147 147 ARG C C 153 177.446 175.292 2.154 1 1 1679 . 22 1 1 A 147 147 ARG CA C 153 54.024 55.255 -1.231 1 1 1680 . 22 1 1 A 147 147 ARG CB C 153 33.539 34.305 -0.766 1 1 1683 . 22 1 1 A 147 147 ARG N N 153 121.042 122.168 -1.126 1 1 1684 . 22 1 1 A 148 148 GLY H H 154 8.916 8.575 0.341 1 1 1685 . 22 1 1 A 148 148 GLY HA2 H 154 4.816 4.351 0.465 1 1 1686 . 22 1 1 A 148 148 GLY HA3 H 154 4.422 4.353 0.069 1 1 1687 . 22 1 1 A 148 148 GLY C C 154 173.831 171.914 1.917 1 1 1688 . 22 1 1 A 148 148 GLY CA C 154 46.752 45.187 1.565 1 1 1689 . 22 1 1 A 148 148 GLY N N 154 114.154 111.542 2.612 1 1 1690 . 22 1 1 A 149 149 THR H H 155 9.063 8.671 0.392 1 1 1691 . 22 1 1 A 149 149 THR HA H 155 4.711 5.006 -0.295 1 1 1696 . 22 1 1 A 149 149 THR C C 155 170.370 174.104 -3.734 1 1 1697 . 22 1 1 A 149 149 THR CA C 155 62.316 62.124 0.192 1 1 1698 . 22 1 1 A 149 149 THR CB C 155 72.596 70.234 2.362 1 1 1700 . 22 1 1 A 149 149 THR N N 155 126.410 115.784 10.626 1 1 1701 . 22 1 1 A 150 150 ALA H H 156 7.091 9.122 -2.031 1 1 1702 . 22 1 1 A 150 150 ALA HA H 156 5.289 5.838 -0.549 1 1 1706 . 22 1 1 A 150 150 ALA C C 156 173.965 176.270 -2.305 1 1 1707 . 22 1 1 A 150 150 ALA CA C 156 48.843 50.197 -1.354 1 1 1708 . 22 1 1 A 150 150 ALA CB C 156 22.573 22.843 -0.270 1 1 1709 . 22 1 1 A 150 150 ALA N N 156 127.540 128.670 -1.130 1 1 1710 . 22 1 1 A 151 151 PHE H H 157 8.536 8.375 0.161 1 1 1711 . 22 1 1 A 151 151 PHE HA H 157 5.442 5.526 -0.084 1 1 1718 . 22 1 1 A 151 151 PHE C C 157 171.891 173.295 -1.404 1 1 1719 . 22 1 1 A 151 151 PHE CA C 157 53.282 55.579 -2.297 1 1 1720 . 22 1 1 A 151 151 PHE CB C 157 41.020 42.075 -1.055 1 1 1721 . 22 1 1 A 151 151 PHE N N 157 117.013 115.704 1.309 1 1 1722 . 22 1 1 A 152 152 GLY H H 158 8.548 8.756 -0.208 1 1 1723 . 22 1 1 A 152 152 GLY HA2 H 158 4.003 4.437 -0.434 1 1 1724 . 22 1 1 A 152 152 GLY HA3 H 158 3.124 4.513 -1.389 1 1 1725 . 22 1 1 A 152 152 GLY C C 158 173.148 171.548 1.600 1 1 1726 . 22 1 1 A 152 152 GLY CA C 158 42.630 44.892 -2.262 1 1 1727 . 22 1 1 A 152 152 GLY N N 158 108.356 108.368 -0.012 1 1 1728 . 22 1 1 A 153 153 SER H H 159 7.610 8.349 -0.739 1 1 1729 . 22 1 1 A 153 153 SER HA H 159 3.421 4.337 -0.916 1 1 1732 . 22 1 1 A 153 153 SER C C 159 176.057 173.739 2.318 1 1 1733 . 22 1 1 A 153 153 SER CA C 159 58.787 57.233 1.554 1 1 1734 . 22 1 1 A 153 153 SER CB C 159 61.886 61.026 0.860 1 1 1735 . 22 1 1 A 153 153 SER N N 159 115.173 115.406 -0.233 1 1 1736 . 22 1 1 A 154 154 ASP H H 160 9.894 8.167 1.727 1 1 1737 . 22 1 1 A 154 154 ASP HA H 160 4.168 4.800 -0.632 1 1 1740 . 22 1 1 A 154 154 ASP C C 160 175.191 175.228 -0.037 1 1 1741 . 22 1 1 A 154 154 ASP CA C 160 55.398 54.804 0.594 1 1 1742 . 22 1 1 A 154 154 ASP CB C 160 39.212 41.803 -2.591 1 1 1743 . 22 1 1 A 154 154 ASP N N 160 124.828 119.339 5.489 1 1 1744 . 22 1 1 A 155 155 ASP H H 161 7.520 8.161 -0.641 1 1 1745 . 22 1 1 A 155 155 ASP HA H 161 4.568 4.902 -0.334 1 1 1748 . 22 1 1 A 155 155 ASP C C 161 172.658 175.934 -3.276 1 1 1749 . 22 1 1 A 155 155 ASP CA C 161 54.342 53.156 1.186 1 1 1750 . 22 1 1 A 155 155 ASP CB C 161 40.619 41.871 -1.252 1 1 1751 . 22 1 1 A 155 155 ASP N N 161 116.749 118.710 -1.961 1 1 1752 . 22 1 1 A 156 156 ALA H H 162 8.544 7.871 0.673 1 1 1753 . 22 1 1 A 156 156 ALA HA H 162 4.916 4.084 0.832 1 1 1757 . 22 1 1 A 156 156 ALA C C 162 177.708 177.253 0.455 1 1 1758 . 22 1 1 A 156 156 ALA CA C 162 49.878 54.371 -4.493 1 1 1759 . 22 1 1 A 156 156 ALA CB C 162 17.473 17.949 -0.476 1 1 1760 . 22 1 1 A 156 156 ALA N N 162 128.246 119.585 8.661 1 1 1761 . 22 1 1 A 157 157 GLY H H 163 8.406 8.677 -0.271 1 1 1762 . 22 1 1 A 157 157 GLY HA2 H 163 4.286 3.972 0.314 1 1 1763 . 22 1 1 A 157 157 GLY HA3 H 163 3.894 3.983 -0.089 1 1 1764 . 22 1 1 A 157 157 GLY C C 163 174.344 174.031 0.313 1 1 1765 . 22 1 1 A 157 157 GLY CA C 163 45.049 45.275 -0.226 1 1 1766 . 22 1 1 A 157 157 GLY N N 163 106.545 107.417 -0.872 1 1 1767 . 22 1 1 A 158 158 GLY H H 164 7.128 8.461 -1.333 1 1 1768 . 22 1 1 A 158 158 GLY HA2 H 164 4.118 4.080 0.038 1 1 1769 . 22 1 1 A 158 158 GLY HA3 H 164 3.641 4.112 -0.471 1 1 1770 . 22 1 1 A 158 158 GLY C C 164 173.903 172.949 0.954 1 1 1771 . 22 1 1 A 158 158 GLY CA C 164 45.225 44.080 1.145 1 1 1772 . 22 1 1 A 158 158 GLY N N 164 106.404 107.419 -1.015 1 1 1773 . 22 1 1 A 159 159 LYS H H 165 9.647 8.331 1.316 1 1 1774 . 22 1 1 A 159 159 LYS HA H 165 5.052 5.066 -0.014 1 1 1781 . 22 1 1 A 159 159 LYS C C 165 174.390 175.766 -1.376 1 1 1782 . 22 1 1 A 159 159 LYS CA C 165 53.501 54.442 -0.941 1 1 1783 . 22 1 1 A 159 159 LYS CB C 165 34.622 36.275 -1.653 1 1 1786 . 22 1 1 A 159 159 LYS N N 165 123.930 120.565 3.365 1 1 1787 . 22 1 1 A 160 160 LEU H H 166 7.706 8.786 -1.080 1 1 1788 . 22 1 1 A 160 160 LEU HA H 166 4.873 5.406 -0.533 1 1 1798 . 22 1 1 A 160 160 LEU C C 166 174.825 175.388 -0.563 1 1 1799 . 22 1 1 A 160 160 LEU CA C 166 52.677 52.841 -0.164 1 1 1800 . 22 1 1 A 160 160 LEU CB C 166 44.629 45.798 -1.169 1 1 1804 . 22 1 1 A 160 160 LEU N N 166 126.271 119.228 7.043 1 1 1805 . 22 1 1 A 161 161 THR H H 167 8.374 8.991 -0.617 1 1 1806 . 22 1 1 A 161 161 THR HA H 167 4.949 5.221 -0.272 1 1 1811 . 22 1 1 A 161 161 THR C C 167 172.102 172.942 -0.840 1 1 1812 . 22 1 1 A 161 161 THR CA C 167 61.761 61.644 0.117 1 1 1813 . 22 1 1 A 161 161 THR CB C 167 70.169 71.095 -0.926 1 1 1815 . 22 1 1 A 161 161 THR N N 167 122.977 116.113 6.864 1 1 1816 . 22 1 1 A 162 162 TYR H H 168 9.174 9.317 -0.143 1 1 1817 . 22 1 1 A 162 162 TYR HA H 168 4.766 5.517 -0.751 1 1 1824 . 22 1 1 A 162 162 TYR C C 168 172.249 173.950 -1.701 1 1 1825 . 22 1 1 A 162 162 TYR CA C 168 58.162 56.588 1.574 1 1 1826 . 22 1 1 A 162 162 TYR CB C 168 43.746 42.345 1.401 1 1 1827 . 22 1 1 A 162 162 TYR N N 168 128.112 126.725 1.387 1 1 1828 . 22 1 1 A 163 163 THR H H 169 8.711 8.262 0.449 1 1 1829 . 22 1 1 A 163 163 THR HA H 169 5.402 5.091 0.311 1 1 1834 . 22 1 1 A 163 163 THR C C 169 172.520 172.692 -0.172 1 1 1835 . 22 1 1 A 163 163 THR CA C 169 60.804 61.505 -0.701 1 1 1836 . 22 1 1 A 163 163 THR CB C 169 70.818 71.582 -0.764 1 1 1838 . 22 1 1 A 163 163 THR N N 169 124.549 119.843 4.706 1 1 1839 . 22 1 1 A 164 164 ILE H H 170 8.927 9.155 -0.228 1 1 1840 . 22 1 1 A 164 164 ILE HA H 170 4.313 4.995 -0.682 1 1 1850 . 22 1 1 A 164 164 ILE C C 170 173.105 173.710 -0.605 1 1 1851 . 22 1 1 A 164 164 ILE CA C 170 60.595 60.066 0.529 1 1 1852 . 22 1 1 A 164 164 ILE CB C 170 41.274 41.370 -0.096 1 1 1856 . 22 1 1 A 164 164 ILE N N 170 123.685 127.331 -3.646 1 1 1857 . 22 1 1 A 165 165 ASP H H 171 8.372 8.772 -0.400 1 1 1858 . 22 1 1 A 165 165 ASP HA H 171 4.750 4.932 -0.182 1 1 1861 . 22 1 1 A 165 165 ASP C C 171 177.213 176.533 0.680 1 1 1862 . 22 1 1 A 165 165 ASP CA C 171 51.669 55.002 -3.333 1 1 1863 . 22 1 1 A 165 165 ASP CB C 171 41.730 40.854 0.876 1 1 1864 . 22 1 1 A 165 165 ASP N N 171 125.168 128.701 -3.533 1 1 1865 . 22 1 1 A 166 166 PHE H H 172 8.968 9.095 -0.127 1 1 1866 . 22 1 1 A 166 166 PHE HA H 172 3.879 4.396 -0.517 1 1 1874 . 22 1 1 A 166 166 PHE C C 172 176.940 177.485 -0.545 1 1 1875 . 22 1 1 A 166 166 PHE CA C 172 61.543 60.587 0.956 1 1 1876 . 22 1 1 A 166 166 PHE CB C 172 37.424 38.826 -1.402 1 1 1877 . 22 1 1 A 166 166 PHE N N 172 123.597 122.677 0.920 1 1 1878 . 22 1 1 A 167 167 ALA H H 173 8.266 7.666 0.600 1 1 1879 . 22 1 1 A 167 167 ALA HA H 173 4.322 4.300 0.022 1 1 1883 . 22 1 1 A 167 167 ALA C C 173 178.888 179.661 -0.773 1 1 1884 . 22 1 1 A 167 167 ALA CA C 173 54.458 54.818 -0.360 1 1 1885 . 22 1 1 A 167 167 ALA CB C 173 17.591 19.107 -1.516 1 1 1886 . 22 1 1 A 167 167 ALA N N 173 122.113 121.677 0.436 1 1 1887 . 22 1 1 A 168 168 ALA H H 174 7.405 7.718 -0.313 1 1 1888 . 22 1 1 A 168 168 ALA HA H 174 4.096 4.349 -0.253 1 1 1892 . 22 1 1 A 168 168 ALA C C 174 176.605 176.625 -0.020 1 1 1893 . 22 1 1 A 168 168 ALA CA C 174 51.225 52.080 -0.855 1 1 1894 . 22 1 1 A 168 168 ALA CB C 174 18.307 19.472 -1.165 1 1 1895 . 22 1 1 A 168 168 ALA N N 174 118.760 117.611 1.149 1 1 1896 . 22 1 1 A 169 169 LYS H H 175 7.906 7.551 0.355 1 1 1897 . 22 1 1 A 169 169 LYS HA H 175 3.391 3.809 -0.418 1 1 1904 . 22 1 1 A 169 169 LYS C C 175 174.608 174.995 -0.387 1 1 1905 . 22 1 1 A 169 169 LYS CA C 175 57.049 57.403 -0.354 1 1 1906 . 22 1 1 A 169 169 LYS CB C 175 30.051 29.250 0.801 1 1 1909 . 22 1 1 A 169 169 LYS N N 175 114.394 115.130 -0.736 1 1 1910 . 22 1 1 A 170 170 GLN H H 176 7.629 7.338 0.291 1 1 1911 . 22 1 1 A 170 170 GLN HA H 176 5.414 4.812 0.602 1 1 1918 . 22 1 1 A 170 170 GLN C C 176 174.325 174.417 -0.092 1 1 1919 . 22 1 1 A 170 170 GLN CA C 176 54.393 54.930 -0.537 1 1 1920 . 22 1 1 A 170 170 GLN CB C 176 34.771 30.006 4.765 1 1 1922 . 22 1 1 A 170 170 GLN N N 176 116.433 117.023 -0.590 1 1 1924 . 22 1 1 A 171 171 GLY H H 177 8.854 9.267 -0.413 1 1 1925 . 22 1 1 A 171 171 GLY HA2 H 177 5.205 4.048 1.157 1 1 1926 . 22 1 1 A 171 171 GLY HA3 H 177 3.526 4.165 -0.639 1 1 1927 . 22 1 1 A 171 171 GLY C C 177 170.842 172.094 -1.252 1 1 1928 . 22 1 1 A 171 171 GLY CA C 177 44.621 44.969 -0.348 1 1 1929 . 22 1 1 A 171 171 GLY N N 177 110.189 112.919 -2.730 1 1 1930 . 22 1 1 A 172 172 ASN H H 178 7.637 9.014 -1.377 1 1 1931 . 22 1 1 A 172 172 ASN HA H 178 4.224 5.521 -1.297 1 1 1936 . 22 1 1 A 172 172 ASN C C 178 171.546 173.854 -2.308 1 1 1937 . 22 1 1 A 172 172 ASN CA C 178 53.729 50.911 2.818 1 1 1938 . 22 1 1 A 172 172 ASN CB C 178 41.543 41.682 -0.139 1 1 1939 . 22 1 1 A 172 172 ASN N N 178 112.667 122.169 -9.502 1 1 1941 . 22 1 1 A 173 173 GLY H H 179 9.103 8.307 0.796 1 1 1942 . 22 1 1 A 173 173 GLY HA2 H 179 4.491 4.273 0.218 1 1 1943 . 22 1 1 A 173 173 GLY HA3 H 179 4.084 4.301 -0.217 1 1 1944 . 22 1 1 A 173 173 GLY C C 179 172.400 171.474 0.926 1 1 1945 . 22 1 1 A 173 173 GLY CA C 179 47.199 45.935 1.264 1 1 1946 . 22 1 1 A 173 173 GLY N N 179 106.686 108.264 -1.578 1 1 1947 . 22 1 1 A 174 174 LYS H H 180 9.179 8.534 0.645 1 1 1948 . 22 1 1 A 174 174 LYS HA H 180 4.821 4.997 -0.176 1 1 1957 . 22 1 1 A 174 174 LYS C C 180 172.518 174.713 -2.195 1 1 1958 . 22 1 1 A 174 174 LYS CA C 180 56.617 55.084 1.533 1 1 1959 . 22 1 1 A 174 174 LYS CB C 180 35.373 35.761 -0.388 1 1 1963 . 22 1 1 A 174 174 LYS N N 180 121.816 116.303 5.513 1 1 1964 . 22 1 1 A 175 175 ILE H H 181 8.351 8.259 0.092 1 1 1965 . 22 1 1 A 175 175 ILE HA H 181 4.581 4.687 -0.106 1 1 1973 . 22 1 1 A 175 175 ILE C C 181 173.997 175.586 -1.589 1 1 1974 . 22 1 1 A 175 175 ILE CA C 181 60.490 59.609 0.881 1 1 1975 . 22 1 1 A 175 175 ILE CB C 181 39.573 38.535 1.038 1 1 1978 . 22 1 1 A 175 175 ILE N N 181 123.400 122.499 0.901 1 1 1979 . 22 1 1 A 176 176 GLU H H 182 8.492 8.396 0.096 1 1 1980 . 22 1 1 A 176 176 GLU HA H 182 4.471 4.809 -0.338 1 1 1985 . 22 1 1 A 176 176 GLU C C 182 175.392 175.092 0.300 1 1 1986 . 22 1 1 A 176 176 GLU CA C 182 53.410 56.524 -3.114 1 1 1987 . 22 1 1 A 176 176 GLU CB C 182 35.479 31.920 3.559 1 1 1989 . 22 1 1 A 176 176 GLU N N 182 122.287 125.281 -2.994 1 1 1990 . 22 1 1 A 177 177 HIS H H 183 8.431 8.214 0.217 1 1 1991 . 22 1 1 A 177 177 HIS HA H 183 3.975 4.722 -0.747 1 1 1996 . 22 1 1 A 177 177 HIS C C 183 176.008 174.754 1.254 1 1 1997 . 22 1 1 A 177 177 HIS CA C 183 57.533 55.701 1.832 1 1 1998 . 22 1 1 A 177 177 HIS CB C 183 27.362 32.361 -4.999 1 1 1999 . 22 1 1 A 177 177 HIS N N 183 109.605 126.304 -16.699 1 1 2000 . 22 1 1 A 178 178 LEU H H 184 9.603 7.932 1.671 1 1 2001 . 22 1 1 A 178 178 LEU HA H 184 4.276 4.390 -0.114 1 1 2011 . 22 1 1 A 178 178 LEU C C 184 178.805 177.952 0.853 1 1 2012 . 22 1 1 A 178 178 LEU CA C 184 56.034 53.937 2.097 1 1 2013 . 22 1 1 A 178 178 LEU CB C 184 39.882 42.324 -2.442 1 1 2017 . 22 1 1 A 178 178 LEU N N 184 124.374 121.236 3.138 1 1 2018 . 22 1 1 A 179 179 LYS H H 185 10.002 8.859 1.143 1 1 2019 . 22 1 1 A 179 179 LYS HA H 185 3.682 4.076 -0.394 1 1 2028 . 22 1 1 A 179 179 LYS C C 185 177.660 176.273 1.387 1 1 2029 . 22 1 1 A 179 179 LYS CA C 185 57.721 58.950 -1.229 1 1 2030 . 22 1 1 A 179 179 LYS CB C 185 31.949 32.102 -0.153 1 1 2034 . 22 1 1 A 179 179 LYS N N 185 122.880 121.195 1.685 1 1 2035 . 22 1 1 A 180 180 SER H H 186 7.262 7.837 -0.575 1 1 2036 . 22 1 1 A 180 180 SER HA H 186 4.672 4.959 -0.287 1 1 2039 . 22 1 1 A 180 180 SER C C 186 173.086 173.784 -0.698 1 1 2040 . 22 1 1 A 180 180 SER CA C 186 54.576 55.620 -1.044 1 1 2041 . 22 1 1 A 180 180 SER CB C 186 62.715 64.981 -2.266 1 1 2042 . 22 1 1 A 180 180 SER N N 186 115.187 115.103 0.084 1 1 2043 . 22 1 1 A 181 181 PRO HA H 187 3.956 4.239 -0.283 1 1 2050 . 22 1 1 A 181 181 PRO CA C 187 65.359 65.263 0.096 1 1 2051 . 22 1 1 A 181 181 PRO CB C 187 32.061 31.919 0.142 1 1 2054 . 22 1 1 A 182 182 GLU H H 188 8.076 8.316 -0.240 1 1 2055 . 22 1 1 A 182 182 GLU HA H 188 3.011 4.115 -1.104 1 1 2060 . 22 1 1 A 182 182 GLU C C 188 173.944 177.988 -4.044 1 1 2061 . 22 1 1 A 182 182 GLU CA C 188 56.597 59.279 -2.682 1 1 2062 . 22 1 1 A 182 182 GLU CB C 188 29.581 29.589 -0.008 1 1 2064 . 22 1 1 A 182 182 GLU N N 188 113.034 118.017 -4.983 1 1 2065 . 22 1 1 A 183 183 LEU H H 189 7.126 7.466 -0.340 1 1 2066 . 22 1 1 A 183 183 LEU HA H 189 3.970 4.294 -0.324 1 1 2076 . 22 1 1 A 183 183 LEU C C 189 175.597 177.115 -1.518 1 1 2077 . 22 1 1 A 183 183 LEU CA C 189 53.849 55.544 -1.695 1 1 2078 . 22 1 1 A 183 183 LEU CB C 189 41.152 42.481 -1.329 1 1 2082 . 22 1 1 A 183 183 LEU N N 189 112.896 118.603 -5.707 1 1 2083 . 22 1 1 A 184 184 ASN H H 190 6.952 7.547 -0.595 1 1 2084 . 22 1 1 A 184 184 ASN HA H 190 4.596 4.834 -0.238 1 1 2089 . 22 1 1 A 184 184 ASN C C 190 175.694 174.648 1.046 1 1 2090 . 22 1 1 A 184 184 ASN CA C 190 53.200 53.070 0.130 1 1 2091 . 22 1 1 A 184 184 ASN CB C 190 36.466 39.134 -2.668 1 1 2092 . 22 1 1 A 184 184 ASN N N 190 117.865 117.254 0.611 1 1 2094 . 22 1 1 A 185 185 VAL H H 191 7.178 8.660 -1.482 1 1 2095 . 22 1 1 A 185 185 VAL HA H 191 4.480 4.730 -0.250 1 1 2103 . 22 1 1 A 185 185 VAL C C 191 174.874 175.471 -0.597 1 1 2104 . 22 1 1 A 185 185 VAL CA C 191 59.753 59.782 -0.029 1 1 2105 . 22 1 1 A 185 185 VAL CB C 191 33.035 34.040 -1.005 1 1 2108 . 22 1 1 A 185 185 VAL N N 191 113.276 118.588 -5.312 1 1 2109 . 22 1 1 A 186 186 ASP H H 192 8.827 8.434 0.393 1 1 2110 . 22 1 1 A 186 186 ASP HA H 192 4.779 4.831 -0.052 1 1 2113 . 22 1 1 A 186 186 ASP C C 192 174.919 175.178 -0.259 1 1 2114 . 22 1 1 A 186 186 ASP CA C 192 54.058 54.659 -0.601 1 1 2115 . 22 1 1 A 186 186 ASP CB C 192 41.635 41.582 0.053 1 1 2116 . 22 1 1 A 186 186 ASP N N 192 118.111 121.551 -3.440 1 1 2117 . 22 1 1 A 187 187 LEU H H 193 8.375 8.735 -0.360 1 1 2118 . 22 1 1 A 187 187 LEU HA H 193 4.146 4.983 -0.837 1 1 2127 . 22 1 1 A 187 187 LEU CA C 193 52.331 53.362 -1.031 1 1 2128 . 22 1 1 A 187 187 LEU CB C 193 38.187 44.679 -6.492 1 1 2131 . 22 1 1 A 187 187 LEU N N 193 123.130 125.292 -2.162 1 1 2132 . 22 1 1 A 188 188 ALA H H 194 8.225 8.623 -0.398 1 1 2133 . 22 1 1 A 188 188 ALA HA H 194 4.098 4.456 -0.358 1 1 2137 . 22 1 1 A 188 188 ALA C C 194 176.239 176.933 -0.694 1 1 2138 . 22 1 1 A 188 188 ALA CA C 194 52.498 51.662 0.836 1 1 2139 . 22 1 1 A 188 188 ALA CB C 194 20.030 19.018 1.012 1 1 2140 . 22 1 1 A 188 188 ALA N N 194 126.289 128.479 -2.190 1 1 2141 . 22 1 1 A 189 189 ALA H H 195 8.275 8.242 0.033 1 1 2142 . 22 1 1 A 189 189 ALA HA H 195 4.862 4.262 0.600 1 1 2146 . 22 1 1 A 189 189 ALA C C 195 178.131 177.872 0.259 1 1 2147 . 22 1 1 A 189 189 ALA CA C 195 51.822 53.149 -1.327 1 1 2148 . 22 1 1 A 189 189 ALA CB C 195 17.367 19.009 -1.642 1 1 2149 . 22 1 1 A 189 189 ALA N N 195 122.010 125.932 -3.922 1 1 2150 . 22 1 1 A 190 190 ALA H H 196 8.823 8.976 -0.153 1 1 2151 . 22 1 1 A 190 190 ALA HA H 196 4.634 5.019 -0.385 1 1 2155 . 22 1 1 A 190 190 ALA C C 196 175.141 175.795 -0.654 1 1 2156 . 22 1 1 A 190 190 ALA CA C 196 50.420 50.890 -0.470 1 1 2157 . 22 1 1 A 190 190 ALA CB C 196 23.461 23.487 -0.026 1 1 2158 . 22 1 1 A 190 190 ALA N N 196 126.018 124.655 1.363 1 1 2159 . 22 1 1 A 191 191 ASP H H 197 8.365 8.635 -0.270 1 1 2160 . 22 1 1 A 191 191 ASP HA H 197 5.160 4.936 0.224 1 1 2163 . 22 1 1 A 191 191 ASP C C 197 176.028 175.968 0.060 1 1 2164 . 22 1 1 A 191 191 ASP CA C 197 54.034 52.665 1.369 1 1 2165 . 22 1 1 A 191 191 ASP CB C 197 41.691 41.730 -0.039 1 1 2166 . 22 1 1 A 191 191 ASP N N 197 118.646 120.292 -1.646 1 1 2167 . 22 1 1 A 192 192 ILE H H 198 7.915 8.321 -0.406 1 1 2168 . 22 1 1 A 192 192 ILE HA H 198 4.315 4.687 -0.372 1 1 2178 . 22 1 1 A 192 192 ILE C C 198 174.684 175.830 -1.146 1 1 2179 . 22 1 1 A 192 192 ILE CA C 198 60.951 60.327 0.624 1 1 2180 . 22 1 1 A 192 192 ILE CB C 198 41.989 39.020 2.969 1 1 2184 . 22 1 1 A 192 192 ILE N N 198 119.664 117.148 2.516 1 1 2185 . 22 1 1 A 193 193 LYS H H 199 9.175 8.796 0.379 1 1 2186 . 22 1 1 A 193 193 LYS HA H 199 4.530 4.622 -0.092 1 1 2195 . 22 1 1 A 193 193 LYS C C 199 172.639 176.822 -4.183 1 1 2196 . 22 1 1 A 193 193 LYS CA C 199 53.361 53.474 -0.113 1 1 2197 . 22 1 1 A 193 193 LYS CB C 199 34.758 32.651 2.107 1 1 2201 . 22 1 1 A 193 193 LYS N N 199 127.122 122.852 4.270 1 1 2202 . 22 1 1 A 195 195 ASP H H 201 8.390 7.835 0.555 1 1 2203 . 22 1 1 A 195 195 ASP HA H 201 4.550 4.482 0.068 1 1 2206 . 22 1 1 A 195 195 ASP C C 201 179.300 176.460 2.840 1 1 2207 . 22 1 1 A 195 195 ASP CA C 201 51.354 55.406 -4.052 1 1 2208 . 22 1 1 A 195 195 ASP CB C 201 40.324 40.907 -0.583 1 1 2209 . 22 1 1 A 195 195 ASP N N 201 123.239 120.560 2.679 1 1 2210 . 22 1 1 A 196 196 GLY HA2 H 202 3.718 4.221 -0.503 1 1 2211 . 22 1 1 A 196 196 GLY HA3 H 202 3.437 4.224 -0.787 1 1 2212 . 22 1 1 A 196 196 GLY CA C 202 46.527 46.002 0.525 1 1 2213 . 22 1 1 A 197 197 LYS H H 203 7.740 8.694 -0.954 1 1 2214 . 22 1 1 A 197 197 LYS HA H 203 4.118 4.598 -0.480 1 1 2221 . 22 1 1 A 197 197 LYS C C 203 174.941 177.008 -2.067 1 1 2222 . 22 1 1 A 197 197 LYS CA C 203 55.054 57.358 -2.304 1 1 2223 . 22 1 1 A 197 197 LYS CB C 203 31.192 33.855 -2.663 1 1 2226 . 22 1 1 A 197 197 LYS N N 203 120.305 119.788 0.517 1 1 2227 . 22 1 1 A 198 198 ARG H H 204 8.059 8.048 0.011 1 1 2228 . 22 1 1 A 198 198 ARG HA H 204 3.441 4.506 -1.065 1 1 2235 . 22 1 1 A 198 198 ARG C C 204 175.152 175.170 -0.018 1 1 2236 . 22 1 1 A 198 198 ARG CA C 204 56.911 56.629 0.282 1 1 2237 . 22 1 1 A 198 198 ARG CB C 204 26.584 32.507 -5.923 1 1 2240 . 22 1 1 A 198 198 ARG N N 204 111.796 114.995 -3.199 1 1 2241 . 22 1 1 A 199 199 HIS H H 205 8.531 8.140 0.391 1 1 2242 . 22 1 1 A 199 199 HIS HA H 205 4.812 5.403 -0.591 1 1 2247 . 22 1 1 A 199 199 HIS C C 205 174.866 174.265 0.601 1 1 2248 . 22 1 1 A 199 199 HIS CA C 205 53.700 53.576 0.124 1 1 2249 . 22 1 1 A 199 199 HIS CB C 205 27.838 33.169 -5.331 1 1 2250 . 22 1 1 A 199 199 HIS N N 205 120.255 114.714 5.541 1 1 2251 . 22 1 1 A 200 200 ALA H H 206 8.492 7.612 0.880 1 1 2252 . 22 1 1 A 200 200 ALA HA H 206 4.615 4.235 0.380 1 1 2256 . 22 1 1 A 200 200 ALA C C 206 175.840 176.591 -0.751 1 1 2257 . 22 1 1 A 200 200 ALA CA C 206 52.247 51.409 0.838 1 1 2258 . 22 1 1 A 200 200 ALA CB C 206 19.838 19.020 0.818 1 1 2259 . 22 1 1 A 200 200 ALA N N 206 123.237 121.847 1.390 1 1 2260 . 22 1 1 A 201 201 VAL H H 207 9.174 8.138 1.036 1 1 2261 . 22 1 1 A 201 201 VAL HA H 207 4.976 4.436 0.540 1 1 2269 . 22 1 1 A 201 201 VAL C C 207 173.390 174.265 -0.875 1 1 2270 . 22 1 1 A 201 201 VAL CA C 207 60.775 60.398 0.377 1 1 2271 . 22 1 1 A 201 201 VAL CB C 207 35.488 35.900 -0.412 1 1 2274 . 22 1 1 A 201 201 VAL N N 207 123.250 115.739 7.511 1 1 2275 . 22 1 1 A 202 202 ILE H H 208 8.887 8.542 0.345 1 1 2276 . 22 1 1 A 202 202 ILE HA H 208 4.312 4.712 -0.400 1 1 2286 . 22 1 1 A 202 202 ILE C C 208 174.670 174.446 0.224 1 1 2287 . 22 1 1 A 202 202 ILE CA C 208 60.815 60.133 0.682 1 1 2288 . 22 1 1 A 202 202 ILE CB C 208 41.576 38.845 2.731 1 1 2292 . 22 1 1 A 202 202 ILE N N 208 122.699 126.917 -4.218 1 1 2293 . 22 1 1 A 203 203 SER H H 209 8.416 8.591 -0.175 1 1 2294 . 22 1 1 A 203 203 SER HA H 209 4.913 4.920 -0.007 1 1 2297 . 22 1 1 A 203 203 SER C C 209 172.984 173.521 -0.537 1 1 2298 . 22 1 1 A 203 203 SER CA C 209 55.676 56.789 -1.113 1 1 2299 . 22 1 1 A 203 203 SER CB C 209 64.355 64.213 0.142 1 1 2300 . 22 1 1 A 203 203 SER N N 209 122.067 123.475 -1.408 1 1 2301 . 22 1 1 A 204 204 GLY H H 210 7.292 8.726 -1.434 1 1 2302 . 22 1 1 A 204 204 GLY HA2 H 210 4.432 4.448 -0.016 1 1 2303 . 22 1 1 A 204 204 GLY HA3 H 210 3.352 4.588 -1.236 1 1 2304 . 22 1 1 A 204 204 GLY C C 210 172.482 172.882 -0.400 1 1 2305 . 22 1 1 A 204 204 GLY CA C 210 45.167 45.210 -0.043 1 1 2306 . 22 1 1 A 204 204 GLY N N 210 110.488 114.184 -3.696 1 1 2307 . 22 1 1 A 205 205 SER H H 211 8.652 8.757 -0.105 1 1 2308 . 22 1 1 A 205 205 SER HA H 211 5.027 5.373 -0.346 1 1 2311 . 22 1 1 A 205 205 SER C C 211 172.852 173.724 -0.872 1 1 2312 . 22 1 1 A 205 205 SER CA C 211 58.806 55.977 2.829 1 1 2313 . 22 1 1 A 205 205 SER CB C 211 64.384 66.338 -1.954 1 1 2314 . 22 1 1 A 205 205 SER N N 211 116.497 113.135 3.362 1 1 2315 . 22 1 1 A 206 206 VAL H H 212 7.400 8.758 -1.358 1 1 2316 . 22 1 1 A 206 206 VAL HA H 212 5.032 4.641 0.391 1 1 2324 . 22 1 1 A 206 206 VAL C C 212 174.500 174.232 0.268 1 1 2325 . 22 1 1 A 206 206 VAL CA C 212 58.764 61.404 -2.640 1 1 2326 . 22 1 1 A 206 206 VAL CB C 212 30.512 34.675 -4.163 1 1 2329 . 22 1 1 A 206 206 VAL N N 212 117.101 121.121 -4.020 1 1 2330 . 22 1 1 A 207 207 LEU H H 213 8.961 8.510 0.451 1 1 2331 . 22 1 1 A 207 207 LEU HA H 213 5.312 5.159 0.153 1 1 2341 . 22 1 1 A 207 207 LEU C C 213 175.520 174.456 1.064 1 1 2342 . 22 1 1 A 207 207 LEU CA C 213 52.630 53.187 -0.557 1 1 2343 . 22 1 1 A 207 207 LEU CB C 213 45.567 43.828 1.739 1 1 2347 . 22 1 1 A 207 207 LEU N N 213 124.185 129.707 -5.522 1 1 2348 . 22 1 1 A 208 208 TYR H H 214 8.836 8.763 0.073 1 1 2349 . 22 1 1 A 208 208 TYR HA H 214 4.766 4.753 0.013 1 1 2356 . 22 1 1 A 208 208 TYR C C 214 175.964 176.309 -0.345 1 1 2357 . 22 1 1 A 208 208 TYR CA C 214 56.943 57.828 -0.885 1 1 2358 . 22 1 1 A 208 208 TYR CB C 214 41.736 39.660 2.076 1 1 2359 . 22 1 1 A 208 208 TYR N N 214 120.202 127.766 -7.564 1 1 2360 . 22 1 1 A 209 209 ASN H H 215 9.292 9.262 0.030 1 1 2361 . 22 1 1 A 209 209 ASN HA H 215 4.001 4.401 -0.400 1 1 2366 . 22 1 1 A 209 209 ASN C C 215 174.336 174.350 -0.014 1 1 2367 . 22 1 1 A 209 209 ASN CA C 215 53.923 54.225 -0.302 1 1 2368 . 22 1 1 A 209 209 ASN CB C 215 36.468 37.211 -0.743 1 1 2369 . 22 1 1 A 209 209 ASN N N 215 129.805 125.583 4.222 1 1 2371 . 22 1 1 A 210 210 GLN H H 216 8.614 8.407 0.207 1 1 2372 . 22 1 1 A 210 210 GLN HA H 216 3.453 3.899 -0.446 1 1 2379 . 22 1 1 A 210 210 GLN C C 216 173.521 175.062 -1.541 1 1 2380 . 22 1 1 A 210 210 GLN CA C 216 57.881 57.072 0.809 1 1 2381 . 22 1 1 A 210 210 GLN CB C 216 26.089 26.540 -0.451 1 1 2383 . 22 1 1 A 210 210 GLN N N 216 106.396 110.697 -4.301 1 1 2385 . 22 1 1 A 211 211 ALA H H 217 7.657 7.967 -0.310 1 1 2386 . 22 1 1 A 211 211 ALA HA H 217 4.608 4.592 0.016 1 1 2390 . 22 1 1 A 211 211 ALA C C 217 176.432 176.977 -0.545 1 1 2391 . 22 1 1 A 211 211 ALA CA C 217 50.786 53.219 -2.433 1 1 2392 . 22 1 1 A 211 211 ALA CB C 217 20.499 20.779 -0.280 1 1 2393 . 22 1 1 A 211 211 ALA N N 217 123.338 118.540 4.798 1 1 2394 . 22 1 1 A 212 212 GLU H H 218 8.712 8.202 0.510 1 1 2395 . 22 1 1 A 212 212 GLU HA H 218 4.525 4.397 0.128 1 1 2400 . 22 1 1 A 212 212 GLU C C 218 177.924 175.887 2.037 1 1 2401 . 22 1 1 A 212 212 GLU CA C 218 57.550 56.989 0.561 1 1 2402 . 22 1 1 A 212 212 GLU CB C 218 28.811 30.475 -1.664 1 1 2404 . 22 1 1 A 212 212 GLU N N 218 122.631 117.939 4.692 1 1 2405 . 22 1 1 A 213 213 LYS H H 219 8.835 8.662 0.173 1 1 2406 . 22 1 1 A 213 213 LYS HA H 219 4.612 4.654 -0.042 1 1 2415 . 22 1 1 A 213 213 LYS C C 219 173.786 176.442 -2.656 1 1 2416 . 22 1 1 A 213 213 LYS CA C 219 53.115 54.970 -1.855 1 1 2417 . 22 1 1 A 213 213 LYS CB C 219 34.180 32.761 1.419 1 1 2421 . 22 1 1 A 213 213 LYS N N 219 126.870 124.683 2.187 1 1 2422 . 22 1 1 A 214 214 GLY H H 220 7.929 8.326 -0.397 1 1 2423 . 22 1 1 A 214 214 GLY HA2 H 220 5.469 4.057 1.412 1 1 2424 . 22 1 1 A 214 214 GLY HA3 H 220 3.719 4.086 -0.367 1 1 2425 . 22 1 1 A 214 214 GLY C C 220 173.926 173.373 0.553 1 1 2426 . 22 1 1 A 214 214 GLY CA C 220 44.536 44.189 0.347 1 1 2427 . 22 1 1 A 214 214 GLY N N 220 107.019 112.064 -5.045 1 1 2428 . 22 1 1 A 215 215 SER H H 221 8.678 8.985 -0.307 1 1 2429 . 22 1 1 A 215 215 SER HA H 221 5.460 5.298 0.162 1 1 2432 . 22 1 1 A 215 215 SER C C 221 171.043 172.360 -1.317 1 1 2433 . 22 1 1 A 215 215 SER CA C 221 56.810 57.704 -0.894 1 1 2434 . 22 1 1 A 215 215 SER CB C 221 66.671 66.954 -0.283 1 1 2435 . 22 1 1 A 215 215 SER N N 221 117.334 115.700 1.634 1 1 2436 . 22 1 1 A 216 216 TYR H H 222 8.958 9.322 -0.364 1 1 2437 . 22 1 1 A 216 216 TYR HA H 222 5.389 5.682 -0.293 1 1 2445 . 22 1 1 A 216 216 TYR C C 222 172.789 173.279 -0.490 1 1 2446 . 22 1 1 A 216 216 TYR CA C 222 55.819 55.729 0.090 1 1 2447 . 22 1 1 A 216 216 TYR CB C 222 41.681 42.663 -0.982 1 1 2448 . 22 1 1 A 216 216 TYR N N 222 117.645 119.432 -1.787 1 1 2449 . 22 1 1 A 217 217 SER H H 223 8.837 9.234 -0.397 1 1 2450 . 22 1 1 A 217 217 SER HA H 223 5.165 5.235 -0.070 1 1 2453 . 22 1 1 A 217 217 SER C C 223 173.125 172.844 0.281 1 1 2454 . 22 1 1 A 217 217 SER CA C 223 56.600 56.517 0.083 1 1 2455 . 22 1 1 A 217 217 SER CB C 223 64.500 65.671 -1.171 1 1 2456 . 22 1 1 A 217 217 SER N N 223 115.593 114.462 1.131 1 1 2457 . 22 1 1 A 218 218 LEU H H 224 9.299 8.192 1.107 1 1 2458 . 22 1 1 A 218 218 LEU HA H 224 4.748 5.175 -0.427 1 1 2468 . 22 1 1 A 218 218 LEU C C 224 175.567 175.793 -0.226 1 1 2469 . 22 1 1 A 218 218 LEU CA C 224 53.138 52.774 0.364 1 1 2470 . 22 1 1 A 218 218 LEU CB C 224 46.255 46.558 -0.303 1 1 2474 . 22 1 1 A 218 218 LEU N N 224 123.523 125.056 -1.533 1 1 2475 . 22 1 1 A 219 219 GLY H H 225 9.041 8.145 0.896 1 1 2476 . 22 1 1 A 219 219 GLY HA2 H 225 4.620 3.854 0.766 1 1 2477 . 22 1 1 A 219 219 GLY HA3 H 225 3.413 4.060 -0.647 1 1 2478 . 22 1 1 A 219 219 GLY C C 225 171.514 171.976 -0.462 1 1 2479 . 22 1 1 A 219 219 GLY CA C 225 43.777 44.604 -0.827 1 1 2480 . 22 1 1 A 219 219 GLY N N 225 108.999 108.477 0.522 1 1 2481 . 22 1 1 A 220 220 ILE H H 226 6.853 8.637 -1.784 1 1 2482 . 22 1 1 A 220 220 ILE HA H 226 4.615 4.623 -0.008 1 1 2492 . 22 1 1 A 220 220 ILE C C 226 174.750 175.699 -0.949 1 1 2493 . 22 1 1 A 220 220 ILE CA C 226 60.421 61.177 -0.756 1 1 2494 . 22 1 1 A 220 220 ILE CB C 226 38.213 37.677 0.536 1 1 2498 . 22 1 1 A 220 220 ILE N N 226 120.223 121.604 -1.381 1 1 2499 . 22 1 1 A 221 221 PHE H H 227 9.392 9.338 0.054 1 1 2500 . 22 1 1 A 221 221 PHE HA H 227 4.770 5.356 -0.586 1 1 2507 . 22 1 1 A 221 221 PHE C C 227 175.093 175.884 -0.791 1 1 2508 . 22 1 1 A 221 221 PHE CA C 227 58.053 56.432 1.621 1 1 2509 . 22 1 1 A 221 221 PHE CB C 227 42.505 42.081 0.424 1 1 2510 . 22 1 1 A 221 221 PHE N N 227 128.229 126.242 1.987 1 1 2511 . 22 1 1 A 222 222 GLY H H 228 8.675 8.592 0.083 1 1 2512 . 22 1 1 A 222 222 GLY HA2 H 228 3.174 4.039 -0.865 1 1 2513 . 22 1 1 A 222 222 GLY HA3 H 228 4.311 4.110 0.201 1 1 2514 . 22 1 1 A 222 222 GLY CA C 228 42.438 44.634 -2.196 1 1 2515 . 22 1 1 A 222 222 GLY N N 228 104.634 111.885 -7.251 1 1 2516 . 22 1 1 A 223 223 GLY CA C 229 46.870 45.946 0.924 1 1 2517 . 22 1 1 A 224 224 LYS H H 230 8.366 7.698 0.668 1 1 2518 . 22 1 1 A 224 224 LYS HA H 230 4.305 4.585 -0.280 1 1 2523 . 22 1 1 A 224 224 LYS C C 230 174.717 175.898 -1.181 1 1 2524 . 22 1 1 A 224 224 LYS CA C 230 54.119 55.094 -0.975 1 1 2525 . 22 1 1 A 224 224 LYS CB C 230 30.821 33.038 -2.217 1 1 2527 . 22 1 1 A 224 224 LYS N N 230 118.720 119.336 -0.616 1 1 2528 . 22 1 1 A 225 225 ALA H H 231 7.633 8.169 -0.536 1 1 2529 . 22 1 1 A 225 225 ALA HA H 231 3.810 4.303 -0.493 1 1 2533 . 22 1 1 A 225 225 ALA C C 231 176.702 177.301 -0.599 1 1 2534 . 22 1 1 A 225 225 ALA CA C 231 51.868 52.997 -1.129 1 1 2535 . 22 1 1 A 225 225 ALA CB C 231 16.117 18.036 -1.919 1 1 2536 . 22 1 1 A 225 225 ALA N N 231 118.077 121.198 -3.121 1 1 2537 . 22 1 1 A 226 226 GLN H H 232 9.387 8.383 1.004 1 1 2538 . 22 1 1 A 226 226 GLN HA H 232 3.877 4.790 -0.913 1 1 2543 . 22 1 1 A 226 226 GLN C C 232 175.992 175.900 0.092 1 1 2544 . 22 1 1 A 226 226 GLN CA C 232 60.989 56.604 4.385 1 1 2545 . 22 1 1 A 226 226 GLN CB C 232 28.695 31.602 -2.907 1 1 2547 . 22 1 1 A 226 226 GLN N N 232 117.991 122.104 -4.113 1 1 2548 . 22 1 1 A 227 227 GLU H H 233 8.825 8.044 0.781 1 1 2549 . 22 1 1 A 227 227 GLU HA H 233 5.411 4.854 0.557 1 1 2554 . 22 1 1 A 227 227 GLU C C 233 174.939 173.974 0.965 1 1 2555 . 22 1 1 A 227 227 GLU CA C 233 54.289 55.466 -1.177 1 1 2556 . 22 1 1 A 227 227 GLU CB C 233 33.797 32.938 0.859 1 1 2558 . 22 1 1 A 227 227 GLU N N 233 116.638 114.830 1.808 1 1 2559 . 22 1 1 A 228 228 VAL H H 234 8.343 8.254 0.089 1 1 2560 . 22 1 1 A 228 228 VAL HA H 234 5.544 4.840 0.704 1 1 2568 . 22 1 1 A 228 228 VAL C C 234 174.839 174.173 0.666 1 1 2569 . 22 1 1 A 228 228 VAL CA C 234 57.867 59.692 -1.825 1 1 2570 . 22 1 1 A 228 228 VAL CB C 234 35.379 35.619 -0.240 1 1 2573 . 22 1 1 A 228 228 VAL N N 234 109.304 116.057 -6.753 1 1 2574 . 22 1 1 A 229 229 ALA H H 235 8.475 7.825 0.650 1 1 2575 . 22 1 1 A 229 229 ALA HA H 235 4.937 4.511 0.426 1 1 2579 . 22 1 1 A 229 229 ALA C C 235 176.417 175.803 0.614 1 1 2580 . 22 1 1 A 229 229 ALA CA C 235 51.303 51.145 0.158 1 1 2581 . 22 1 1 A 229 229 ALA CB C 235 20.301 22.125 -1.824 1 1 2582 . 22 1 1 A 229 229 ALA N N 235 120.653 123.010 -2.357 1 1 2583 . 22 1 1 A 230 230 GLY H H 236 9.361 8.135 1.226 1 1 2584 . 22 1 1 A 230 230 GLY HA2 H 236 5.075 4.210 0.865 1 1 2585 . 22 1 1 A 230 230 GLY HA3 H 236 4.017 4.272 -0.255 1 1 2586 . 22 1 1 A 230 230 GLY C C 236 170.130 171.331 -1.201 1 1 2587 . 22 1 1 A 230 230 GLY CA C 236 46.221 45.780 0.441 1 1 2588 . 22 1 1 A 230 230 GLY N N 236 111.104 106.301 4.803 1 1 2589 . 22 1 1 A 231 231 SER H H 237 8.889 8.743 0.146 1 1 2590 . 22 1 1 A 231 231 SER HA H 237 5.276 5.106 0.170 1 1 2593 . 22 1 1 A 231 231 SER C C 237 171.360 172.553 -1.193 1 1 2594 . 22 1 1 A 231 231 SER CA C 237 56.498 57.585 -1.087 1 1 2595 . 22 1 1 A 231 231 SER CB C 237 66.398 65.400 0.998 1 1 2596 . 22 1 1 A 231 231 SER N N 237 115.308 116.336 -1.028 1 1 2597 . 22 1 1 A 232 232 ALA H H 238 9.083 9.025 0.058 1 1 2598 . 22 1 1 A 232 232 ALA HA H 238 5.148 5.529 -0.381 1 1 2602 . 22 1 1 A 232 232 ALA C C 238 174.537 175.510 -0.973 1 1 2603 . 22 1 1 A 232 232 ALA CA C 238 49.904 50.437 -0.533 1 1 2604 . 22 1 1 A 232 232 ALA CB C 238 21.729 23.163 -1.434 1 1 2605 . 22 1 1 A 232 232 ALA N N 238 119.911 124.819 -4.908 1 1 2606 . 22 1 1 A 233 233 GLU H H 239 9.015 9.153 -0.138 1 1 2607 . 22 1 1 A 233 233 GLU HA H 239 4.631 5.135 -0.504 1 1 2612 . 22 1 1 A 233 233 GLU C C 239 174.122 175.125 -1.003 1 1 2613 . 22 1 1 A 233 233 GLU CA C 239 54.786 54.533 0.253 1 1 2614 . 22 1 1 A 233 233 GLU CB C 239 31.355 33.106 -1.751 1 1 2616 . 22 1 1 A 233 233 GLU N N 239 122.744 121.070 1.674 1 1 2617 . 22 1 1 A 234 234 VAL H H 240 8.792 8.922 -0.130 1 1 2618 . 22 1 1 A 234 234 VAL HA H 240 4.394 4.833 -0.439 1 1 2623 . 22 1 1 A 234 234 VAL C C 240 174.833 173.747 1.086 1 1 2624 . 22 1 1 A 234 234 VAL CA C 240 61.427 59.813 1.614 1 1 2625 . 22 1 1 A 234 234 VAL CB C 240 33.863 35.327 -1.464 1 1 2627 . 22 1 1 A 234 234 VAL N N 240 124.203 120.858 3.345 1 1 2628 . 22 1 1 A 235 235 LYS H H 241 8.841 8.646 0.195 1 1 2629 . 22 1 1 A 235 235 LYS HA H 241 3.981 4.634 -0.653 1 1 2638 . 22 1 1 A 235 235 LYS C C 241 174.548 175.814 -1.266 1 1 2639 . 22 1 1 A 235 235 LYS CA C 241 55.955 55.504 0.451 1 1 2640 . 22 1 1 A 235 235 LYS CB C 241 32.100 32.592 -0.492 1 1 2644 . 22 1 1 A 235 235 LYS N N 241 127.554 126.358 1.196 1 1 2645 . 22 1 1 A 236 236 THR H H 242 7.212 8.690 -1.478 1 1 2646 . 22 1 1 A 236 236 THR HA H 242 4.355 4.914 -0.559 1 1 2651 . 22 1 1 A 236 236 THR C C 242 176.482 175.524 0.958 1 1 2652 . 22 1 1 A 236 236 THR CA C 242 61.054 60.403 0.651 1 1 2653 . 22 1 1 A 236 236 THR CB C 242 72.642 71.429 1.213 1 1 2655 . 22 1 1 A 236 236 THR N N 242 114.463 115.009 -0.546 1 1 2656 . 22 1 1 A 237 237 VAL H H 243 9.582 8.333 1.249 1 1 2657 . 22 1 1 A 237 237 VAL HA H 243 3.849 3.917 -0.068 1 1 2665 . 22 1 1 A 237 237 VAL C C 243 176.201 177.386 -1.185 1 1 2666 . 22 1 1 A 237 237 VAL CA C 243 64.701 65.260 -0.559 1 1 2667 . 22 1 1 A 237 237 VAL CB C 243 31.028 31.680 -0.652 1 1 2669 . 22 1 1 A 237 237 VAL N N 243 120.670 122.328 -1.658 1 1 2670 . 22 1 1 A 238 238 ASN H H 244 7.572 7.665 -0.093 1 1 2671 . 22 1 1 A 238 238 ASN HA H 244 4.882 4.794 0.088 1 1 2676 . 22 1 1 A 238 238 ASN C C 244 173.835 175.592 -1.757 1 1 2677 . 22 1 1 A 238 238 ASN CA C 244 52.022 53.130 -1.108 1 1 2678 . 22 1 1 A 238 238 ASN CB C 244 39.176 39.071 0.105 1 1 2679 . 22 1 1 A 238 238 ASN N N 244 115.638 117.523 -1.885 1 1 2681 . 22 1 1 A 239 239 GLY H H 245 7.362 8.116 -0.754 1 1 2682 . 22 1 1 A 239 239 GLY HA2 H 245 4.539 4.089 0.450 1 1 2683 . 22 1 1 A 239 239 GLY HA3 H 245 3.728 4.097 -0.369 1 1 2684 . 22 1 1 A 239 239 GLY C C 245 174.343 173.376 0.967 1 1 2685 . 22 1 1 A 239 239 GLY CA C 245 43.316 44.254 -0.938 1 1 2686 . 22 1 1 A 239 239 GLY N N 245 107.650 106.513 1.137 1 1 2687 . 22 1 1 A 240 240 ILE H H 246 8.672 8.243 0.429 1 1 2688 . 22 1 1 A 240 240 ILE HA H 246 4.351 4.349 0.002 1 1 2698 . 22 1 1 A 240 240 ILE C C 246 176.899 174.797 2.102 1 1 2699 . 22 1 1 A 240 240 ILE CA C 246 61.120 61.609 -0.489 1 1 2700 . 22 1 1 A 240 240 ILE CB C 246 36.906 38.949 -2.043 1 1 2704 . 22 1 1 A 240 240 ILE N N 246 122.673 121.273 1.400 1 1 2705 . 22 1 1 A 241 241 ARG H H 247 9.233 8.681 0.552 1 1 2706 . 22 1 1 A 241 241 ARG HA H 247 4.370 5.193 -0.823 1 1 2713 . 22 1 1 A 241 241 ARG C C 247 173.925 174.516 -0.591 1 1 2714 . 22 1 1 A 241 241 ARG CA C 247 53.461 53.921 -0.460 1 1 2715 . 22 1 1 A 241 241 ARG CB C 247 31.910 34.367 -2.457 1 1 2718 . 22 1 1 A 241 241 ARG N N 247 128.497 127.405 1.092 1 1 2719 . 22 1 1 A 242 242 HIS H H 248 8.519 8.766 -0.247 1 1 2720 . 22 1 1 A 242 242 HIS HA H 248 5.323 5.585 -0.262 1 1 2725 . 22 1 1 A 242 242 HIS C C 248 174.635 174.986 -0.351 1 1 2726 . 22 1 1 A 242 242 HIS CA C 248 55.759 53.829 1.930 1 1 2727 . 22 1 1 A 242 242 HIS CB C 248 32.921 33.146 -0.225 1 1 2728 . 22 1 1 A 242 242 HIS N N 248 121.131 118.949 2.182 1 1 2729 . 22 1 1 A 243 243 ILE H H 249 8.723 9.288 -0.565 1 1 2730 . 22 1 1 A 243 243 ILE HA H 249 4.522 4.814 -0.292 1 1 2740 . 22 1 1 A 243 243 ILE C C 249 176.188 175.560 0.628 1 1 2741 . 22 1 1 A 243 243 ILE CA C 249 58.524 59.919 -1.395 1 1 2742 . 22 1 1 A 243 243 ILE CB C 249 41.977 42.256 -0.279 1 1 2746 . 22 1 1 A 243 243 ILE N N 249 119.438 120.997 -1.559 1 1 2747 . 22 1 1 A 244 244 GLY H H 250 9.351 8.975 0.376 1 1 2748 . 22 1 1 A 244 244 GLY HA2 H 250 3.707 3.069 0.638 1 1 2749 . 22 1 1 A 244 244 GLY HA3 H 250 2.119 3.878 -1.759 1 1 2750 . 22 1 1 A 244 244 GLY C C 250 170.981 172.417 -1.436 1 1 2751 . 22 1 1 A 244 244 GLY CA C 250 44.178 44.308 -0.130 1 1 2752 . 22 1 1 A 244 244 GLY N N 250 113.700 114.896 -1.196 1 1 2753 . 22 1 1 A 245 245 LEU H H 251 7.833 8.407 -0.574 1 1 2754 . 22 1 1 A 245 245 LEU HA H 251 4.717 5.120 -0.403 1 1 2764 . 22 1 1 A 245 245 LEU C C 251 174.501 175.853 -1.352 1 1 2765 . 22 1 1 A 245 245 LEU CA C 251 52.508 53.462 -0.954 1 1 2766 . 22 1 1 A 245 245 LEU CB C 251 46.764 43.811 2.953 1 1 2770 . 22 1 1 A 245 245 LEU N N 251 120.798 124.927 -4.129 1 1 2771 . 22 1 1 A 246 246 ALA H H 252 7.906 8.613 -0.707 1 1 2772 . 22 1 1 A 246 246 ALA HA H 252 4.589 4.845 -0.256 1 1 2776 . 22 1 1 A 246 246 ALA C C 252 173.363 175.553 -2.190 1 1 2777 . 22 1 1 A 246 246 ALA CA C 252 51.546 51.542 0.004 1 1 2778 . 22 1 1 A 246 246 ALA CB C 252 21.524 21.370 0.154 1 1 2779 . 22 1 1 A 246 246 ALA N N 252 122.885 123.900 -1.015 1 1 2780 . 22 1 1 A 247 247 ALA H H 253 9.041 8.017 1.024 1 1 2781 . 22 1 1 A 247 247 ALA HA H 253 4.726 5.030 -0.304 1 1 2785 . 22 1 1 A 247 247 ALA C C 253 174.897 175.487 -0.590 1 1 2786 . 22 1 1 A 247 247 ALA CA C 253 51.723 51.307 0.416 1 1 2787 . 22 1 1 A 247 247 ALA CB C 253 22.967 23.411 -0.444 1 1 2788 . 22 1 1 A 247 247 ALA N N 253 122.967 122.184 0.783 1 1 2789 . 22 1 1 A 248 248 LYS H H 254 8.171 8.904 -0.733 1 1 2790 . 22 1 1 A 248 248 LYS HA H 254 5.731 4.802 0.929 1 1 2797 . 22 1 1 A 248 248 LYS C C 254 175.094 175.328 -0.234 1 1 2798 . 22 1 1 A 248 248 LYS CA C 254 53.866 55.169 -1.303 1 1 2799 . 22 1 1 A 248 248 LYS CB C 254 36.312 36.546 -0.234 1 1 2802 . 22 1 1 A 248 248 LYS N N 254 115.734 121.759 -6.025 1 1 60 . 23 1 1 A 9 9 GLY H H 15 8.346 8.829 -0.483 1 1 61 . 23 1 1 A 9 9 GLY HA2 H 15 4.021 3.881 0.140 1 1 62 . 23 1 1 A 9 9 GLY HA3 H 15 3.772 3.882 -0.110 1 1 63 . 23 1 1 A 9 9 GLY C C 15 174.259 175.486 -1.227 1 1 64 . 23 1 1 A 9 9 GLY CA C 15 45.581 46.563 -0.982 1 1 65 . 23 1 1 A 9 9 GLY N N 15 107.368 111.221 -3.853 1 1 66 . 23 1 1 A 10 10 LEU H H 16 7.224 7.804 -0.580 1 1 67 . 23 1 1 A 10 10 LEU HA H 16 3.736 4.160 -0.424 1 1 77 . 23 1 1 A 10 10 LEU C C 16 178.202 179.410 -1.208 1 1 78 . 23 1 1 A 10 10 LEU CA C 16 57.915 57.291 0.624 1 1 79 . 23 1 1 A 10 10 LEU CB C 16 40.686 41.276 -0.590 1 1 83 . 23 1 1 A 10 10 LEU N N 16 117.616 122.619 -5.003 1 1 84 . 23 1 1 A 11 11 ALA H H 17 7.860 7.946 -0.086 1 1 85 . 23 1 1 A 11 11 ALA HA H 17 3.937 4.036 -0.099 1 1 89 . 23 1 1 A 11 11 ALA C C 17 181.090 179.061 2.029 1 1 90 . 23 1 1 A 11 11 ALA CA C 17 54.860 55.336 -0.476 1 1 91 . 23 1 1 A 11 11 ALA CB C 17 17.248 17.939 -0.691 1 1 92 . 23 1 1 A 11 11 ALA N N 17 117.757 122.364 -4.607 1 1 93 . 23 1 1 A 12 12 ASP H H 18 8.017 8.294 -0.277 1 1 94 . 23 1 1 A 12 12 ASP HA H 18 4.223 4.323 -0.100 1 1 97 . 23 1 1 A 12 12 ASP C C 18 177.941 178.416 -0.475 1 1 98 . 23 1 1 A 12 12 ASP CA C 18 56.341 57.444 -1.103 1 1 99 . 23 1 1 A 12 12 ASP CB C 18 39.312 41.327 -2.015 1 1 100 . 23 1 1 A 12 12 ASP N N 18 118.410 118.749 -0.339 1 1 101 . 23 1 1 A 13 13 ALA H H 19 8.205 7.530 0.675 1 1 102 . 23 1 1 A 13 13 ALA HA H 19 3.952 4.189 -0.237 1 1 106 . 23 1 1 A 13 13 ALA C C 19 178.856 178.581 0.275 1 1 107 . 23 1 1 A 13 13 ALA CA C 19 55.039 54.121 0.918 1 1 108 . 23 1 1 A 13 13 ALA CB C 19 17.779 18.478 -0.699 1 1 109 . 23 1 1 A 13 13 ALA N N 19 121.480 121.272 0.208 1 1 110 . 23 1 1 A 14 14 LEU H H 20 7.217 7.539 -0.322 1 1 111 . 23 1 1 A 14 14 LEU HA H 20 4.258 4.216 0.042 1 1 121 . 23 1 1 A 14 14 LEU C C 20 177.544 178.923 -1.379 1 1 122 . 23 1 1 A 14 14 LEU CA C 20 55.511 56.807 -1.296 1 1 123 . 23 1 1 A 14 14 LEU CB C 20 42.176 43.105 -0.929 1 1 126 . 23 1 1 A 14 14 LEU N N 20 113.410 116.273 -2.863 1 1 127 . 23 1 1 A 15 15 THR H H 21 7.624 7.531 0.093 1 1 128 . 23 1 1 A 15 15 THR HA H 21 4.394 4.242 0.152 1 1 133 . 23 1 1 A 15 15 THR C C 21 174.959 174.677 0.282 1 1 134 . 23 1 1 A 15 15 THR CA C 21 61.733 63.636 -1.903 1 1 135 . 23 1 1 A 15 15 THR CB C 21 71.514 69.019 2.495 1 1 137 . 23 1 1 A 15 15 THR N N 21 106.072 108.878 -2.806 1 1 138 . 23 1 1 A 16 16 ALA H H 22 8.932 7.871 1.061 1 1 139 . 23 1 1 A 16 16 ALA HA H 22 4.624 4.745 -0.121 1 1 143 . 23 1 1 A 16 16 ALA C C 22 175.978 175.289 0.689 1 1 144 . 23 1 1 A 16 16 ALA CA C 22 50.681 49.776 0.905 1 1 145 . 23 1 1 A 16 16 ALA CB C 22 18.728 21.635 -2.907 1 1 146 . 23 1 1 A 16 16 ALA N N 22 127.789 123.466 4.323 1 1 147 . 23 1 1 A 17 17 PRO HA H 23 4.430 4.691 -0.261 1 1 154 . 23 1 1 A 17 17 PRO CA C 23 61.497 62.447 -0.950 1 1 155 . 23 1 1 A 17 17 PRO CB C 23 31.775 33.029 -1.254 1 1 158 . 23 1 1 A 18 18 LEU H H 24 8.154 8.591 -0.437 1 1 159 . 23 1 1 A 18 18 LEU HA H 24 3.894 4.893 -0.999 1 1 169 . 23 1 1 A 18 18 LEU C C 24 176.447 175.681 0.766 1 1 170 . 23 1 1 A 18 18 LEU CA C 24 55.510 53.277 2.233 1 1 171 . 23 1 1 A 18 18 LEU CB C 24 40.921 46.138 -5.217 1 1 175 . 23 1 1 A 18 18 LEU N N 24 121.010 121.292 -0.282 1 1 176 . 23 1 1 A 19 19 ASP H H 25 8.758 8.851 -0.093 1 1 177 . 23 1 1 A 19 19 ASP HA H 25 4.626 4.761 -0.135 1 1 180 . 23 1 1 A 19 19 ASP C C 25 176.425 176.401 0.024 1 1 181 . 23 1 1 A 19 19 ASP CA C 25 52.688 53.369 -0.681 1 1 182 . 23 1 1 A 19 19 ASP CB C 25 42.819 38.710 4.109 1 1 183 . 23 1 1 A 19 19 ASP N N 25 124.654 122.529 2.125 1 1 184 . 23 1 1 A 20 20 HIS HA H 26 4.272 4.154 0.118 1 1 189 . 23 1 1 A 20 20 HIS CA C 26 58.100 59.485 -1.385 1 1 190 . 23 1 1 A 20 20 HIS CB C 26 29.200 30.157 -0.957 1 1 191 . 23 1 1 A 21 21 LYS H H 27 8.348 7.840 0.508 1 1 192 . 23 1 1 A 21 21 LYS HA H 27 3.970 4.003 -0.033 1 1 201 . 23 1 1 A 21 21 LYS C C 27 177.393 176.937 0.456 1 1 202 . 23 1 1 A 21 21 LYS CA C 27 56.320 59.498 -3.178 1 1 203 . 23 1 1 A 21 21 LYS CB C 27 30.950 32.533 -1.583 1 1 206 . 23 1 1 A 21 21 LYS N N 27 118.419 119.598 -1.179 1 1 207 . 23 1 1 A 22 22 ASP H H 28 7.451 8.216 -0.765 1 1 208 . 23 1 1 A 22 22 ASP HA H 28 4.307 4.478 -0.171 1 1 211 . 23 1 1 A 22 22 ASP C C 28 176.212 175.948 0.264 1 1 212 . 23 1 1 A 22 22 ASP CA C 28 54.164 56.781 -2.617 1 1 213 . 23 1 1 A 22 22 ASP CB C 28 40.091 40.447 -0.356 1 1 214 . 23 1 1 A 22 22 ASP N N 28 120.045 119.794 0.251 1 1 215 . 23 1 1 A 23 23 LYS H H 29 8.416 8.342 0.074 1 1 216 . 23 1 1 A 23 23 LYS HA H 29 3.962 4.594 -0.632 1 1 225 . 23 1 1 A 23 23 LYS C C 29 177.409 175.644 1.765 1 1 226 . 23 1 1 A 23 23 LYS CA C 29 56.254 55.962 0.292 1 1 227 . 23 1 1 A 23 23 LYS CB C 29 31.950 34.371 -2.421 1 1 231 . 23 1 1 A 23 23 LYS N N 29 121.925 119.655 2.270 1 1 232 . 23 1 1 A 24 24 GLY H H 30 8.612 7.435 1.177 1 1 233 . 23 1 1 A 24 24 GLY HA2 H 30 3.655 4.100 -0.445 1 1 234 . 23 1 1 A 24 24 GLY HA3 H 30 3.519 4.144 -0.625 1 1 235 . 23 1 1 A 24 24 GLY CA C 30 44.788 46.044 -1.256 1 1 236 . 23 1 1 A 24 24 GLY N N 30 111.487 108.143 3.344 1 1 237 . 23 1 1 A 25 25 LEU H H 31 8.054 8.415 -0.361 1 1 238 . 23 1 1 A 25 25 LEU HA H 31 3.770 4.588 -0.818 1 1 248 . 23 1 1 A 25 25 LEU CA C 31 55.906 54.808 1.098 1 1 249 . 23 1 1 A 25 25 LEU CB C 31 44.428 43.407 1.021 1 1 253 . 23 1 1 A 25 25 LEU N N 31 127.196 124.156 3.040 1 1 254 . 23 1 1 A 26 26 GLN H H 32 9.184 8.994 0.190 1 1 255 . 23 1 1 A 26 26 GLN HA H 32 3.437 4.614 -1.177 1 1 262 . 23 1 1 A 26 26 GLN C C 32 174.347 175.633 -1.286 1 1 263 . 23 1 1 A 26 26 GLN CA C 32 57.926 55.661 2.265 1 1 264 . 23 1 1 A 26 26 GLN CB C 32 27.721 30.906 -3.185 1 1 266 . 23 1 1 A 26 26 GLN N N 32 131.782 123.808 7.974 1 1 268 . 23 1 1 A 27 27 SER H H 33 7.240 7.905 -0.665 1 1 269 . 23 1 1 A 27 27 SER HA H 33 4.981 5.124 -0.143 1 1 272 . 23 1 1 A 27 27 SER C C 33 171.111 173.171 -2.060 1 1 273 . 23 1 1 A 27 27 SER CA C 33 56.782 57.023 -0.241 1 1 274 . 23 1 1 A 27 27 SER CB C 33 64.611 65.935 -1.324 1 1 275 . 23 1 1 A 27 27 SER N N 33 108.936 114.321 -5.385 1 1 276 . 23 1 1 A 28 28 LEU H H 34 8.010 8.082 -0.072 1 1 277 . 23 1 1 A 28 28 LEU HA H 34 4.372 4.836 -0.464 1 1 287 . 23 1 1 A 28 28 LEU C C 34 174.697 175.677 -0.980 1 1 288 . 23 1 1 A 28 28 LEU CA C 34 53.332 53.861 -0.529 1 1 289 . 23 1 1 A 28 28 LEU CB C 34 45.636 44.313 1.323 1 1 293 . 23 1 1 A 28 28 LEU N N 34 121.826 122.872 -1.046 1 1 294 . 23 1 1 A 29 29 THR H H 35 8.810 8.944 -0.134 1 1 295 . 23 1 1 A 29 29 THR HA H 35 4.046 4.912 -0.866 1 1 300 . 23 1 1 A 29 29 THR C C 35 172.792 172.755 0.037 1 1 301 . 23 1 1 A 29 29 THR CA C 35 62.565 60.776 1.789 1 1 302 . 23 1 1 A 29 29 THR CB C 35 68.233 70.796 -2.563 1 1 304 . 23 1 1 A 29 29 THR N N 35 123.892 120.079 3.813 1 1 305 . 23 1 1 A 30 30 LEU H H 36 8.662 8.562 0.100 1 1 306 . 23 1 1 A 30 30 LEU HA H 36 4.150 4.753 -0.603 1 1 316 . 23 1 1 A 30 30 LEU C C 36 174.707 175.890 -1.183 1 1 317 . 23 1 1 A 30 30 LEU CA C 36 53.789 53.848 -0.059 1 1 318 . 23 1 1 A 30 30 LEU CB C 36 40.562 42.018 -1.456 1 1 322 . 23 1 1 A 30 30 LEU N N 36 128.365 128.513 -0.148 1 1 323 . 23 1 1 A 31 31 ASP H H 37 8.500 8.546 -0.046 1 1 324 . 23 1 1 A 31 31 ASP HA H 37 4.837 4.885 -0.048 1 1 327 . 23 1 1 A 31 31 ASP CA C 37 54.657 55.191 -0.534 1 1 328 . 23 1 1 A 31 31 ASP CB C 37 43.089 43.862 -0.773 1 1 329 . 23 1 1 A 31 31 ASP N N 37 123.194 126.437 -3.243 1 1 330 . 23 1 1 A 32 32 GLN H H 38 10.453 8.144 2.309 1 1 331 . 23 1 1 A 32 32 GLN HA H 38 3.808 4.291 -0.483 1 1 338 . 23 1 1 A 32 32 GLN C C 38 178.535 177.586 0.949 1 1 339 . 23 1 1 A 32 32 GLN CA C 38 56.284 55.827 0.457 1 1 340 . 23 1 1 A 32 32 GLN CB C 38 28.175 28.672 -0.497 1 1 342 . 23 1 1 A 32 32 GLN N N 38 120.692 118.502 2.190 1 1 344 . 23 1 1 A 33 33 SER H H 39 8.523 7.774 0.749 1 1 345 . 23 1 1 A 33 33 SER HA H 39 4.081 4.388 -0.307 1 1 348 . 23 1 1 A 33 33 SER C C 39 171.792 174.324 -2.532 1 1 349 . 23 1 1 A 33 33 SER CA C 39 61.436 60.962 0.474 1 1 350 . 23 1 1 A 33 33 SER CB C 39 63.008 63.799 -0.791 1 1 351 . 23 1 1 A 33 33 SER N N 39 111.712 112.659 -0.947 1 1 352 . 23 1 1 A 34 34 VAL H H 40 6.691 7.993 -1.302 1 1 353 . 23 1 1 A 34 34 VAL HA H 40 3.890 4.573 -0.683 1 1 361 . 23 1 1 A 34 34 VAL C C 40 172.251 175.289 -3.038 1 1 362 . 23 1 1 A 34 34 VAL CA C 40 60.415 59.968 0.447 1 1 363 . 23 1 1 A 34 34 VAL CB C 40 32.306 34.228 -1.922 1 1 366 . 23 1 1 A 34 34 VAL N N 40 115.971 120.514 -4.543 1 1 367 . 23 1 1 A 35 35 ARG H H 41 8.184 8.424 -0.240 1 1 368 . 23 1 1 A 35 35 ARG HA H 41 4.176 4.138 0.038 1 1 375 . 23 1 1 A 35 35 ARG C C 41 176.886 177.384 -0.498 1 1 376 . 23 1 1 A 35 35 ARG CA C 41 55.599 57.607 -2.008 1 1 377 . 23 1 1 A 35 35 ARG CB C 41 30.569 30.624 -0.055 1 1 380 . 23 1 1 A 35 35 ARG N N 41 125.397 125.847 -0.450 1 1 381 . 23 1 1 A 36 36 LYS H H 42 8.493 8.938 -0.445 1 1 382 . 23 1 1 A 36 36 LYS HA H 42 3.778 4.240 -0.462 1 1 391 . 23 1 1 A 36 36 LYS C C 42 176.596 176.840 -0.244 1 1 392 . 23 1 1 A 36 36 LYS CA C 42 58.687 57.929 0.758 1 1 393 . 23 1 1 A 36 36 LYS CB C 42 31.959 31.953 0.006 1 1 397 . 23 1 1 A 36 36 LYS N N 42 119.360 122.631 -3.271 1 1 398 . 23 1 1 A 37 37 ASN H H 43 8.513 7.945 0.568 1 1 399 . 23 1 1 A 37 37 ASN HA H 43 4.438 4.860 -0.422 1 1 404 . 23 1 1 A 37 37 ASN C C 43 173.867 175.104 -1.237 1 1 405 . 23 1 1 A 37 37 ASN CA C 43 55.127 53.841 1.286 1 1 406 . 23 1 1 A 37 37 ASN CB C 43 37.071 41.062 -3.991 1 1 407 . 23 1 1 A 37 37 ASN N N 43 115.488 115.485 0.003 1 1 409 . 23 1 1 A 38 38 GLU H H 44 7.793 7.677 0.116 1 1 410 . 23 1 1 A 38 38 GLU HA H 44 4.772 4.463 0.309 1 1 413 . 23 1 1 A 38 38 GLU C C 44 175.262 175.970 -0.708 1 1 414 . 23 1 1 A 38 38 GLU CA C 44 54.808 56.292 -1.484 1 1 415 . 23 1 1 A 38 38 GLU CB C 44 32.321 30.494 1.827 1 1 416 . 23 1 1 A 38 38 GLU N N 44 118.734 120.823 -2.089 1 1 417 . 23 1 1 A 39 39 LYS H H 45 8.706 8.499 0.207 1 1 418 . 23 1 1 A 39 39 LYS HA H 45 4.606 4.637 -0.031 1 1 427 . 23 1 1 A 39 39 LYS C C 45 174.312 175.216 -0.904 1 1 428 . 23 1 1 A 39 39 LYS CA C 45 52.782 55.494 -2.712 1 1 429 . 23 1 1 A 39 39 LYS CB C 45 35.174 33.522 1.652 1 1 433 . 23 1 1 A 39 39 LYS N N 45 117.132 127.464 -10.332 1 1 434 . 23 1 1 A 40 40 LEU H H 46 9.085 8.691 0.394 1 1 435 . 23 1 1 A 40 40 LEU HA H 46 5.044 5.035 0.009 1 1 442 . 23 1 1 A 40 40 LEU C C 46 173.778 175.289 -1.511 1 1 443 . 23 1 1 A 40 40 LEU CA C 46 52.590 53.508 -0.918 1 1 444 . 23 1 1 A 40 40 LEU CB C 46 44.855 44.584 0.271 1 1 447 . 23 1 1 A 40 40 LEU N N 46 125.335 129.092 -3.757 1 1 448 . 23 1 1 A 41 41 LYS H H 47 9.263 9.093 0.170 1 1 449 . 23 1 1 A 41 41 LYS HA H 47 5.049 5.083 -0.034 1 1 458 . 23 1 1 A 41 41 LYS C C 47 175.616 174.724 0.892 1 1 459 . 23 1 1 A 41 41 LYS CA C 47 53.864 54.483 -0.619 1 1 460 . 23 1 1 A 41 41 LYS CB C 47 32.986 35.275 -2.289 1 1 464 . 23 1 1 A 41 41 LYS N N 47 129.833 126.467 3.366 1 1 465 . 23 1 1 A 42 42 LEU H H 48 8.954 8.822 0.132 1 1 466 . 23 1 1 A 42 42 LEU HA H 48 5.458 5.069 0.389 1 1 476 . 23 1 1 A 42 42 LEU C C 48 175.565 175.782 -0.217 1 1 477 . 23 1 1 A 42 42 LEU CA C 48 51.964 53.294 -1.330 1 1 478 . 23 1 1 A 42 42 LEU CB C 48 44.393 44.166 0.227 1 1 482 . 23 1 1 A 42 42 LEU N N 48 126.292 128.063 -1.771 1 1 483 . 23 1 1 A 43 43 ALA H H 49 8.804 8.352 0.452 1 1 484 . 23 1 1 A 43 43 ALA HA H 49 5.304 5.258 0.046 1 1 488 . 23 1 1 A 43 43 ALA C C 49 176.301 175.935 0.366 1 1 489 . 23 1 1 A 43 43 ALA CA C 49 51.004 51.690 -0.686 1 1 490 . 23 1 1 A 43 43 ALA CB C 49 23.453 22.123 1.330 1 1 491 . 23 1 1 A 43 43 ALA N N 49 120.789 122.212 -1.423 1 1 492 . 23 1 1 A 44 44 ALA H H 50 8.117 8.540 -0.423 1 1 493 . 23 1 1 A 44 44 ALA HA H 50 4.485 4.511 -0.026 1 1 497 . 23 1 1 A 44 44 ALA C C 50 176.254 176.673 -0.419 1 1 498 . 23 1 1 A 44 44 ALA CA C 50 53.021 51.827 1.194 1 1 499 . 23 1 1 A 44 44 ALA CB C 50 23.682 21.759 1.923 1 1 500 . 23 1 1 A 44 44 ALA N N 50 120.678 122.275 -1.597 1 1 501 . 23 1 1 A 45 45 GLN H H 51 9.035 9.339 -0.304 1 1 502 . 23 1 1 A 45 45 GLN HA H 51 3.774 3.907 -0.133 1 1 509 . 23 1 1 A 45 45 GLN C C 51 175.259 174.887 0.372 1 1 510 . 23 1 1 A 45 45 GLN CA C 51 56.074 56.716 -0.642 1 1 511 . 23 1 1 A 45 45 GLN CB C 51 27.339 27.558 -0.219 1 1 513 . 23 1 1 A 45 45 GLN N N 51 116.299 123.155 -6.856 1 1 515 . 23 1 1 A 46 46 GLY H H 52 8.441 8.462 -0.021 1 1 516 . 23 1 1 A 46 46 GLY HA2 H 52 4.066 3.782 0.284 1 1 517 . 23 1 1 A 46 46 GLY HA3 H 52 3.510 3.783 -0.273 1 1 518 . 23 1 1 A 46 46 GLY C C 52 173.050 173.641 -0.591 1 1 519 . 23 1 1 A 46 46 GLY CA C 52 44.998 45.282 -0.284 1 1 520 . 23 1 1 A 46 46 GLY N N 52 105.419 105.594 -0.175 1 1 521 . 23 1 1 A 47 47 ALA H H 53 8.152 7.657 0.495 1 1 522 . 23 1 1 A 47 47 ALA HA H 53 4.767 4.826 -0.059 1 1 526 . 23 1 1 A 47 47 ALA C C 53 175.989 176.282 -0.293 1 1 527 . 23 1 1 A 47 47 ALA CA C 53 49.918 50.832 -0.914 1 1 528 . 23 1 1 A 47 47 ALA CB C 53 22.720 22.062 0.658 1 1 529 . 23 1 1 A 47 47 ALA N N 53 124.355 122.859 1.496 1 1 530 . 23 1 1 A 48 48 GLU H H 54 8.156 9.188 -1.032 1 1 531 . 23 1 1 A 48 48 GLU HA H 54 5.488 5.341 0.147 1 1 536 . 23 1 1 A 48 48 GLU C C 54 174.224 173.931 0.293 1 1 537 . 23 1 1 A 48 48 GLU CA C 54 54.346 54.626 -0.280 1 1 538 . 23 1 1 A 48 48 GLU CB C 54 34.305 33.863 0.442 1 1 540 . 23 1 1 A 48 48 GLU N N 54 116.655 116.223 0.432 1 1 541 . 23 1 1 A 49 49 LYS H H 55 8.852 8.465 0.387 1 1 542 . 23 1 1 A 49 49 LYS HA H 55 4.190 4.868 -0.678 1 1 549 . 23 1 1 A 49 49 LYS C C 55 172.887 173.981 -1.094 1 1 550 . 23 1 1 A 49 49 LYS CA C 55 56.414 55.212 1.202 1 1 551 . 23 1 1 A 49 49 LYS CB C 55 34.723 36.256 -1.533 1 1 554 . 23 1 1 A 49 49 LYS N N 55 122.922 120.806 2.116 1 1 555 . 23 1 1 A 50 50 THR H H 56 7.910 8.453 -0.543 1 1 556 . 23 1 1 A 50 50 THR HA H 56 4.908 4.845 0.063 1 1 561 . 23 1 1 A 50 50 THR C C 56 173.112 173.328 -0.216 1 1 562 . 23 1 1 A 50 50 THR CA C 56 61.998 61.160 0.838 1 1 563 . 23 1 1 A 50 50 THR CB C 56 68.596 69.950 -1.354 1 1 565 . 23 1 1 A 50 50 THR N N 56 120.811 119.800 1.011 1 1 566 . 23 1 1 A 51 51 TYR H H 57 9.432 9.290 0.142 1 1 567 . 23 1 1 A 51 51 TYR HA H 57 4.493 4.956 -0.463 1 1 574 . 23 1 1 A 51 51 TYR C C 57 174.156 176.604 -2.448 1 1 575 . 23 1 1 A 51 51 TYR CA C 57 57.375 56.552 0.823 1 1 576 . 23 1 1 A 51 51 TYR CB C 57 41.895 40.005 1.890 1 1 577 . 23 1 1 A 51 51 TYR N N 57 127.372 126.464 0.908 1 1 578 . 23 1 1 A 52 52 GLY H H 58 9.154 8.915 0.239 1 1 579 . 23 1 1 A 52 52 GLY HA2 H 58 3.543 4.008 -0.465 1 1 580 . 23 1 1 A 52 52 GLY HA3 H 58 3.543 4.011 -0.468 1 1 581 . 23 1 1 A 52 52 GLY C C 58 172.527 174.191 -1.664 1 1 582 . 23 1 1 A 52 52 GLY CA C 58 42.304 45.352 -3.048 1 1 583 . 23 1 1 A 52 52 GLY N N 58 108.920 112.615 -3.695 1 1 584 . 23 1 1 A 53 53 ASN H H 59 8.877 8.194 0.683 1 1 585 . 23 1 1 A 53 53 ASN HA H 59 4.034 4.391 -0.357 1 1 588 . 23 1 1 A 53 53 ASN C C 59 176.319 174.883 1.436 1 1 589 . 23 1 1 A 53 53 ASN CA C 59 57.108 53.986 3.122 1 1 590 . 23 1 1 A 53 53 ASN CB C 59 39.672 36.063 3.609 1 1 591 . 23 1 1 A 53 53 ASN N N 59 117.281 115.166 2.115 1 1 592 . 23 1 1 A 54 54 GLY H H 60 8.949 7.759 1.190 1 1 593 . 23 1 1 A 54 54 GLY HA2 H 60 4.222 4.041 0.181 1 1 594 . 23 1 1 A 54 54 GLY HA3 H 60 3.348 4.056 -0.708 1 1 595 . 23 1 1 A 54 54 GLY C C 60 174.096 172.211 1.885 1 1 596 . 23 1 1 A 54 54 GLY CA C 60 44.931 45.716 -0.785 1 1 597 . 23 1 1 A 54 54 GLY N N 60 114.860 106.812 8.048 1 1 598 . 23 1 1 A 55 55 ASP H H 61 7.991 8.593 -0.602 1 1 599 . 23 1 1 A 55 55 ASP HA H 61 4.493 5.146 -0.653 1 1 602 . 23 1 1 A 55 55 ASP C C 61 174.727 174.421 0.306 1 1 603 . 23 1 1 A 55 55 ASP CA C 61 54.408 52.356 2.052 1 1 604 . 23 1 1 A 55 55 ASP CB C 61 41.780 45.064 -3.284 1 1 605 . 23 1 1 A 55 55 ASP N N 61 121.974 120.375 1.599 1 1 606 . 23 1 1 A 56 56 SER H H 62 8.485 8.485 0.000 1 1 607 . 23 1 1 A 56 56 SER HA H 62 4.959 5.030 -0.071 1 1 610 . 23 1 1 A 56 56 SER C C 62 173.099 171.987 1.112 1 1 611 . 23 1 1 A 56 56 SER CA C 62 57.154 57.252 -0.098 1 1 612 . 23 1 1 A 56 56 SER CB C 62 64.522 66.364 -1.842 1 1 613 . 23 1 1 A 56 56 SER N N 62 113.088 112.428 0.660 1 1 614 . 23 1 1 A 57 57 LEU H H 63 9.004 9.186 -0.182 1 1 615 . 23 1 1 A 57 57 LEU HA H 63 4.500 5.098 -0.598 1 1 625 . 23 1 1 A 57 57 LEU C C 63 175.943 176.014 -0.071 1 1 626 . 23 1 1 A 57 57 LEU CA C 63 53.070 53.930 -0.860 1 1 627 . 23 1 1 A 57 57 LEU CB C 63 43.800 44.203 -0.403 1 1 630 . 23 1 1 A 57 57 LEU N N 63 126.423 124.644 1.779 1 1 631 . 23 1 1 A 58 58 ASN H H 64 8.484 8.892 -0.408 1 1 632 . 23 1 1 A 58 58 ASN HA H 64 4.752 4.662 0.090 1 1 635 . 23 1 1 A 58 58 ASN C C 64 173.916 175.450 -1.534 1 1 636 . 23 1 1 A 58 58 ASN CA C 64 50.587 54.141 -3.554 1 1 637 . 23 1 1 A 58 58 ASN CB C 64 35.153 39.428 -4.275 1 1 638 . 23 1 1 A 58 58 ASN N N 64 125.624 125.735 -0.111 1 1 639 . 23 1 1 A 59 59 THR H H 65 7.747 8.526 -0.779 1 1 640 . 23 1 1 A 59 59 THR HA H 65 4.770 4.520 0.250 1 1 645 . 23 1 1 A 59 59 THR C C 65 177.245 175.057 2.188 1 1 646 . 23 1 1 A 59 59 THR CA C 65 63.213 62.328 0.885 1 1 647 . 23 1 1 A 59 59 THR CB C 65 63.510 70.372 -6.862 1 1 649 . 23 1 1 A 59 59 THR N N 65 113.770 113.168 0.602 1 1 650 . 23 1 1 A 60 60 GLY H H 66 8.869 8.033 0.836 1 1 651 . 23 1 1 A 60 60 GLY HA2 H 66 3.839 3.845 -0.006 1 1 652 . 23 1 1 A 60 60 GLY HA3 H 66 3.724 3.866 -0.142 1 1 653 . 23 1 1 A 60 60 GLY C C 66 173.279 174.608 -1.329 1 1 654 . 23 1 1 A 60 60 GLY CA C 66 44.892 46.791 -1.899 1 1 655 . 23 1 1 A 60 60 GLY N N 66 114.430 110.015 4.415 1 1 656 . 23 1 1 A 61 61 LYS H H 67 6.376 8.525 -2.149 1 1 657 . 23 1 1 A 61 61 LYS HA H 67 4.021 4.431 -0.410 1 1 666 . 23 1 1 A 61 61 LYS C C 67 176.315 175.221 1.094 1 1 667 . 23 1 1 A 61 61 LYS CA C 67 54.298 55.253 -0.955 1 1 668 . 23 1 1 A 61 61 LYS CB C 67 32.200 30.986 1.214 1 1 672 . 23 1 1 A 61 61 LYS N N 67 112.620 125.738 -13.118 1 1 673 . 23 1 1 A 62 62 LEU H H 68 7.335 8.434 -1.099 1 1 674 . 23 1 1 A 62 62 LEU HA H 68 4.275 4.658 -0.383 1 1 684 . 23 1 1 A 62 62 LEU C C 68 176.306 176.382 -0.076 1 1 685 . 23 1 1 A 62 62 LEU CA C 68 52.479 53.817 -1.338 1 1 686 . 23 1 1 A 62 62 LEU CB C 68 40.600 43.141 -2.541 1 1 689 . 23 1 1 A 62 62 LEU N N 68 116.704 125.412 -8.708 1 1 690 . 23 1 1 A 63 63 LYS H H 69 8.506 8.802 -0.296 1 1 691 . 23 1 1 A 63 63 LYS HA H 69 3.992 4.198 -0.206 1 1 700 . 23 1 1 A 63 63 LYS C C 69 175.886 174.751 1.135 1 1 701 . 23 1 1 A 63 63 LYS CA C 69 54.986 56.665 -1.679 1 1 702 . 23 1 1 A 63 63 LYS CB C 69 32.447 32.171 0.276 1 1 706 . 23 1 1 A 63 63 LYS N N 69 119.841 125.140 -5.299 1 1 707 . 23 1 1 A 64 64 ASN H H 70 8.080 8.459 -0.379 1 1 708 . 23 1 1 A 64 64 ASN HA H 70 3.839 5.020 -1.181 1 1 713 . 23 1 1 A 64 64 ASN C C 70 174.449 173.563 0.886 1 1 714 . 23 1 1 A 64 64 ASN CA C 70 54.417 51.768 2.649 1 1 715 . 23 1 1 A 64 64 ASN CB C 70 38.129 41.296 -3.167 1 1 716 . 23 1 1 A 64 64 ASN N N 70 121.515 116.606 4.909 1 1 718 . 23 1 1 A 65 65 ASP H H 71 9.218 8.373 0.845 1 1 719 . 23 1 1 A 65 65 ASP HA H 71 3.690 4.261 -0.571 1 1 722 . 23 1 1 A 65 65 ASP C C 71 173.016 174.916 -1.900 1 1 723 . 23 1 1 A 65 65 ASP CA C 71 54.726 55.447 -0.721 1 1 724 . 23 1 1 A 65 65 ASP CB C 71 38.534 39.769 -1.235 1 1 725 . 23 1 1 A 65 65 ASP N N 71 113.370 117.188 -3.818 1 1 726 . 23 1 1 A 66 66 LYS H H 72 6.443 7.070 -0.627 1 1 727 . 23 1 1 A 66 66 LYS HA H 72 4.411 4.928 -0.517 1 1 734 . 23 1 1 A 66 66 LYS C C 72 174.745 174.709 0.036 1 1 735 . 23 1 1 A 66 66 LYS CA C 72 53.094 54.522 -1.428 1 1 736 . 23 1 1 A 66 66 LYS CB C 72 36.099 35.744 0.355 1 1 739 . 23 1 1 A 66 66 LYS N N 72 113.415 114.246 -0.831 1 1 740 . 23 1 1 A 67 67 VAL H H 73 8.679 8.543 0.136 1 1 741 . 23 1 1 A 67 67 VAL HA H 73 4.189 4.371 -0.182 1 1 749 . 23 1 1 A 67 67 VAL C C 73 176.630 174.939 1.691 1 1 750 . 23 1 1 A 67 67 VAL CA C 73 62.135 60.689 1.446 1 1 751 . 23 1 1 A 67 67 VAL CB C 73 32.001 32.979 -0.978 1 1 753 . 23 1 1 A 67 67 VAL N N 73 122.098 122.683 -0.585 1 1 754 . 23 1 1 A 68 68 SER H H 74 9.497 9.104 0.393 1 1 755 . 23 1 1 A 68 68 SER HA H 74 4.507 4.981 -0.474 1 1 758 . 23 1 1 A 68 68 SER C C 74 172.249 173.927 -1.678 1 1 759 . 23 1 1 A 68 68 SER CA C 74 58.323 57.605 0.718 1 1 760 . 23 1 1 A 68 68 SER CB C 74 64.028 64.720 -0.692 1 1 761 . 23 1 1 A 68 68 SER N N 74 127.048 123.863 3.185 1 1 762 . 23 1 1 A 69 69 ARG H H 75 7.848 8.344 -0.496 1 1 763 . 23 1 1 A 69 69 ARG HA H 75 5.031 4.792 0.239 1 1 770 . 23 1 1 A 69 69 ARG C C 75 173.300 175.416 -2.116 1 1 771 . 23 1 1 A 69 69 ARG CA C 75 55.337 55.587 -0.250 1 1 772 . 23 1 1 A 69 69 ARG CB C 75 31.871 31.532 0.339 1 1 775 . 23 1 1 A 69 69 ARG N N 75 122.621 122.277 0.344 1 1 776 . 23 1 1 A 70 70 PHE H H 76 9.246 8.673 0.573 1 1 777 . 23 1 1 A 70 70 PHE HA H 76 4.808 4.902 -0.094 1 1 784 . 23 1 1 A 70 70 PHE C C 76 175.788 174.737 1.051 1 1 785 . 23 1 1 A 70 70 PHE CA C 76 55.245 56.662 -1.417 1 1 786 . 23 1 1 A 70 70 PHE CB C 76 43.645 43.261 0.384 1 1 787 . 23 1 1 A 70 70 PHE N N 76 118.087 119.256 -1.169 1 1 788 . 23 1 1 A 71 71 ASP H H 77 9.144 8.983 0.161 1 1 789 . 23 1 1 A 71 71 ASP HA H 77 5.360 5.230 0.130 1 1 792 . 23 1 1 A 71 71 ASP C C 77 176.477 175.586 0.891 1 1 793 . 23 1 1 A 71 71 ASP CA C 77 55.131 54.218 0.913 1 1 794 . 23 1 1 A 71 71 ASP CB C 77 41.301 41.754 -0.453 1 1 795 . 23 1 1 A 71 71 ASP N N 77 123.565 122.519 1.046 1 1 796 . 23 1 1 A 72 72 PHE H H 78 9.094 8.681 0.413 1 1 797 . 23 1 1 A 72 72 PHE HA H 78 6.431 5.144 1.287 1 1 805 . 23 1 1 A 72 72 PHE C C 78 174.014 173.559 0.455 1 1 806 . 23 1 1 A 72 72 PHE CA C 78 54.934 57.153 -2.219 1 1 807 . 23 1 1 A 72 72 PHE CB C 78 42.491 42.432 0.059 1 1 808 . 23 1 1 A 72 72 PHE N N 78 119.663 123.094 -3.431 1 1 809 . 23 1 1 A 73 73 ILE H H 79 8.623 9.130 -0.507 1 1 810 . 23 1 1 A 73 73 ILE HA H 79 4.334 5.120 -0.786 1 1 820 . 23 1 1 A 73 73 ILE C C 79 173.961 174.658 -0.697 1 1 821 . 23 1 1 A 73 73 ILE CA C 79 61.222 59.548 1.674 1 1 822 . 23 1 1 A 73 73 ILE CB C 79 41.918 42.233 -0.315 1 1 826 . 23 1 1 A 73 73 ILE N N 79 119.750 127.288 -7.538 1 1 827 . 23 1 1 A 74 74 ARG H H 80 9.052 8.732 0.320 1 1 828 . 23 1 1 A 74 74 ARG HA H 80 5.311 4.927 0.384 1 1 835 . 23 1 1 A 74 74 ARG C C 80 174.870 174.104 0.766 1 1 836 . 23 1 1 A 74 74 ARG CA C 80 54.449 54.260 0.189 1 1 837 . 23 1 1 A 74 74 ARG CB C 80 33.740 33.018 0.722 1 1 840 . 23 1 1 A 74 74 ARG N N 80 128.407 125.054 3.353 1 1 841 . 23 1 1 A 75 75 GLN H H 81 9.304 9.042 0.262 1 1 842 . 23 1 1 A 75 75 GLN HA H 81 5.562 5.192 0.370 1 1 849 . 23 1 1 A 75 75 GLN C C 81 173.678 174.384 -0.706 1 1 850 . 23 1 1 A 75 75 GLN CA C 81 53.745 54.147 -0.402 1 1 851 . 23 1 1 A 75 75 GLN CB C 81 34.013 31.872 2.141 1 1 853 . 23 1 1 A 75 75 GLN N N 81 125.481 123.114 2.367 1 1 855 . 23 1 1 A 76 76 ILE H H 82 8.592 8.391 0.201 1 1 856 . 23 1 1 A 76 76 ILE HA H 82 4.576 4.859 -0.283 1 1 866 . 23 1 1 A 76 76 ILE C C 82 172.511 174.028 -1.517 1 1 867 . 23 1 1 A 76 76 ILE CA C 82 59.622 59.157 0.465 1 1 868 . 23 1 1 A 76 76 ILE CB C 82 42.248 41.874 0.374 1 1 872 . 23 1 1 A 76 76 ILE N N 82 115.536 124.802 -9.266 1 1 873 . 23 1 1 A 77 77 GLU H H 83 8.433 8.565 -0.132 1 1 874 . 23 1 1 A 77 77 GLU HA H 83 4.936 4.832 0.104 1 1 879 . 23 1 1 A 77 77 GLU C C 83 175.614 175.536 0.078 1 1 880 . 23 1 1 A 77 77 GLU CA C 83 54.812 56.043 -1.231 1 1 881 . 23 1 1 A 77 77 GLU CB C 83 30.465 30.190 0.275 1 1 883 . 23 1 1 A 77 77 GLU N N 83 124.858 127.295 -2.437 1 1 884 . 23 1 1 A 78 78 VAL H H 84 8.879 8.681 0.198 1 1 885 . 23 1 1 A 78 78 VAL HA H 84 4.076 4.029 0.047 1 1 893 . 23 1 1 A 78 78 VAL C C 84 175.694 175.997 -0.303 1 1 894 . 23 1 1 A 78 78 VAL CA C 84 61.382 62.157 -0.775 1 1 895 . 23 1 1 A 78 78 VAL CB C 84 34.014 30.577 3.437 1 1 897 . 23 1 1 A 78 78 VAL N N 84 126.973 126.445 0.528 1 1 898 . 23 1 1 A 79 79 ASP H H 85 9.329 9.149 0.180 1 1 899 . 23 1 1 A 79 79 ASP HA H 85 4.156 4.355 -0.199 1 1 902 . 23 1 1 A 79 79 ASP C C 85 175.774 176.240 -0.466 1 1 903 . 23 1 1 A 79 79 ASP CA C 85 55.125 55.749 -0.624 1 1 904 . 23 1 1 A 79 79 ASP CB C 85 38.926 39.628 -0.702 1 1 905 . 23 1 1 A 79 79 ASP N N 85 129.387 129.135 0.252 1 1 906 . 23 1 1 A 80 80 GLY H H 86 8.575 8.402 0.173 1 1 907 . 23 1 1 A 80 80 GLY HA2 H 86 3.992 3.833 0.159 1 1 908 . 23 1 1 A 80 80 GLY HA3 H 86 3.507 3.833 -0.326 1 1 909 . 23 1 1 A 80 80 GLY C C 86 173.366 173.876 -0.510 1 1 910 . 23 1 1 A 80 80 GLY CA C 86 44.759 45.281 -0.522 1 1 911 . 23 1 1 A 80 80 GLY N N 86 103.293 104.286 -0.993 1 1 912 . 23 1 1 A 81 81 GLN H H 87 7.751 7.766 -0.015 1 1 913 . 23 1 1 A 81 81 GLN HA H 87 4.482 4.410 0.072 1 1 918 . 23 1 1 A 81 81 GLN C C 87 173.874 175.542 -1.668 1 1 919 . 23 1 1 A 81 81 GLN CA C 87 53.328 55.285 -1.957 1 1 920 . 23 1 1 A 81 81 GLN CB C 87 30.670 29.410 1.260 1 1 922 . 23 1 1 A 81 81 GLN N N 87 119.688 119.721 -0.033 1 1 923 . 23 1 1 A 82 82 LEU H H 88 8.418 8.642 -0.224 1 1 924 . 23 1 1 A 82 82 LEU HA H 88 4.630 4.614 0.016 1 1 934 . 23 1 1 A 82 82 LEU C C 88 176.289 175.867 0.422 1 1 935 . 23 1 1 A 82 82 LEU CA C 88 53.834 54.533 -0.699 1 1 936 . 23 1 1 A 82 82 LEU CB C 88 41.737 40.955 0.782 1 1 940 . 23 1 1 A 82 82 LEU N N 88 123.523 125.210 -1.687 1 1 941 . 23 1 1 A 83 83 ILE H H 89 9.146 8.199 0.947 1 1 942 . 23 1 1 A 83 83 ILE HA H 89 4.249 5.012 -0.763 1 1 952 . 23 1 1 A 83 83 ILE C C 89 175.698 175.202 0.496 1 1 953 . 23 1 1 A 83 83 ILE CA C 89 59.363 59.916 -0.553 1 1 954 . 23 1 1 A 83 83 ILE CB C 89 39.633 40.568 -0.935 1 1 958 . 23 1 1 A 83 83 ILE N N 89 127.151 125.313 1.838 1 1 959 . 23 1 1 A 84 84 THR H H 90 8.656 8.768 -0.112 1 1 960 . 23 1 1 A 84 84 THR HA H 90 4.203 4.948 -0.745 1 1 965 . 23 1 1 A 84 84 THR C C 90 172.890 172.846 0.044 1 1 966 . 23 1 1 A 84 84 THR CA C 90 62.641 61.558 1.083 1 1 967 . 23 1 1 A 84 84 THR CB C 90 68.634 69.078 -0.444 1 1 969 . 23 1 1 A 84 84 THR N N 90 123.099 121.345 1.754 1 1 970 . 23 1 1 A 85 85 LEU H H 91 8.967 8.431 0.536 1 1 971 . 23 1 1 A 85 85 LEU HA H 91 4.256 4.554 -0.298 1 1 980 . 23 1 1 A 85 85 LEU C C 91 177.371 175.562 1.809 1 1 981 . 23 1 1 A 85 85 LEU CA C 91 55.527 54.194 1.333 1 1 982 . 23 1 1 A 85 85 LEU CB C 91 44.315 43.332 0.983 1 1 984 . 23 1 1 A 85 85 LEU N N 91 125.333 128.538 -3.205 1 1 985 . 23 1 1 A 86 86 GLU H H 92 7.503 7.883 -0.380 1 1 986 . 23 1 1 A 86 86 GLU HA H 92 5.026 4.946 0.080 1 1 991 . 23 1 1 A 86 86 GLU C C 92 172.723 175.621 -2.898 1 1 992 . 23 1 1 A 86 86 GLU CA C 92 54.670 55.102 -0.432 1 1 993 . 23 1 1 A 86 86 GLU CB C 92 33.717 31.319 2.398 1 1 995 . 23 1 1 A 86 86 GLU N N 92 116.655 120.420 -3.765 1 1 996 . 23 1 1 A 87 87 SER H H 93 8.954 8.890 0.064 1 1 997 . 23 1 1 A 87 87 SER HA H 93 4.245 5.478 -1.233 1 1 1000 . 23 1 1 A 87 87 SER C C 93 172.763 173.363 -0.600 1 1 1001 . 23 1 1 A 87 87 SER CA C 93 57.328 56.930 0.398 1 1 1002 . 23 1 1 A 87 87 SER CB C 93 65.493 66.552 -1.059 1 1 1003 . 23 1 1 A 87 87 SER N N 93 117.941 118.413 -0.472 1 1 1004 . 23 1 1 A 88 88 GLY H H 94 6.932 8.460 -1.528 1 1 1005 . 23 1 1 A 88 88 GLY HA2 H 94 3.694 4.328 -0.634 1 1 1006 . 23 1 1 A 88 88 GLY HA3 H 94 3.694 4.336 -0.642 1 1 1007 . 23 1 1 A 88 88 GLY C C 94 171.117 171.993 -0.876 1 1 1008 . 23 1 1 A 88 88 GLY CA C 94 46.575 46.202 0.373 1 1 1009 . 23 1 1 A 88 88 GLY N N 94 108.625 107.771 0.854 1 1 1010 . 23 1 1 A 89 89 GLU H H 95 9.669 8.868 0.801 1 1 1011 . 23 1 1 A 89 89 GLU HA H 95 5.642 4.727 0.915 1 1 1016 . 23 1 1 A 89 89 GLU C C 95 173.226 175.640 -2.414 1 1 1017 . 23 1 1 A 89 89 GLU CA C 95 54.786 55.817 -1.031 1 1 1018 . 23 1 1 A 89 89 GLU CB C 95 34.334 31.840 2.494 1 1 1020 . 23 1 1 A 89 89 GLU N N 95 128.231 121.263 6.968 1 1 1021 . 23 1 1 A 90 90 PHE H H 96 10.365 8.892 1.473 1 1 1022 . 23 1 1 A 90 90 PHE HA H 96 5.048 4.758 0.290 1 1 1029 . 23 1 1 A 90 90 PHE C C 96 173.039 172.734 0.305 1 1 1030 . 23 1 1 A 90 90 PHE CA C 96 54.616 56.905 -2.289 1 1 1031 . 23 1 1 A 90 90 PHE CB C 96 42.090 42.343 -0.253 1 1 1032 . 23 1 1 A 90 90 PHE N N 96 131.583 123.059 8.524 1 1 1033 . 23 1 1 A 91 91 GLN H H 97 8.685 8.973 -0.288 1 1 1034 . 23 1 1 A 91 91 GLN HA H 97 4.959 4.881 0.078 1 1 1041 . 23 1 1 A 91 91 GLN C C 97 174.151 174.372 -0.221 1 1 1042 . 23 1 1 A 91 91 GLN CA C 97 53.174 54.754 -1.580 1 1 1043 . 23 1 1 A 91 91 GLN CB C 97 28.812 31.053 -2.241 1 1 1045 . 23 1 1 A 91 91 GLN N N 97 126.465 127.576 -1.111 1 1 1047 . 23 1 1 A 92 92 VAL H H 98 8.675 8.952 -0.277 1 1 1048 . 23 1 1 A 92 92 VAL HA H 98 4.569 4.431 0.138 1 1 1056 . 23 1 1 A 92 92 VAL C C 98 173.802 174.185 -0.383 1 1 1057 . 23 1 1 A 92 92 VAL CA C 98 59.715 61.073 -1.358 1 1 1058 . 23 1 1 A 92 92 VAL CB C 98 35.074 33.959 1.115 1 1 1061 . 23 1 1 A 92 92 VAL N N 98 118.841 126.475 -7.634 1 1 1062 . 23 1 1 A 93 93 TYR H H 99 8.896 8.657 0.239 1 1 1063 . 23 1 1 A 93 93 TYR HA H 99 4.940 4.831 0.109 1 1 1070 . 23 1 1 A 93 93 TYR C C 99 173.330 174.508 -1.178 1 1 1071 . 23 1 1 A 93 93 TYR CA C 99 56.948 57.305 -0.357 1 1 1072 . 23 1 1 A 93 93 TYR CB C 99 40.780 40.013 0.767 1 1 1073 . 23 1 1 A 93 93 TYR N N 99 127.563 126.715 0.848 1 1 1074 . 23 1 1 A 94 94 LYS H H 100 5.813 9.251 -3.438 1 1 1075 . 23 1 1 A 94 94 LYS HA H 100 4.248 4.893 -0.645 1 1 1082 . 23 1 1 A 94 94 LYS CA C 100 55.660 54.933 0.727 1 1 1083 . 23 1 1 A 94 94 LYS CB C 100 35.870 34.103 1.767 1 1 1084 . 23 1 1 A 94 94 LYS N N 100 128.378 124.640 3.738 1 1 1085 . 23 1 1 A 95 95 GLN H H 101 8.438 8.062 0.376 1 1 1086 . 23 1 1 A 95 95 GLN HA H 101 5.028 4.579 0.449 1 1 1091 . 23 1 1 A 95 95 GLN C C 101 174.080 175.897 -1.817 1 1 1092 . 23 1 1 A 95 95 GLN CA C 101 54.043 53.727 0.316 1 1 1093 . 23 1 1 A 95 95 GLN CB C 101 27.209 31.201 -3.992 1 1 1095 . 23 1 1 A 95 95 GLN N N 101 125.809 127.005 -1.196 1 1 1096 . 23 1 1 A 96 96 SER H H 102 9.057 8.613 0.444 1 1 1097 . 23 1 1 A 96 96 SER HA H 102 3.041 4.252 -1.211 1 1 1100 . 23 1 1 A 96 96 SER CA C 102 62.985 61.533 1.452 1 1 1101 . 23 1 1 A 96 96 SER CB C 102 63.242 63.681 -0.439 1 1 1102 . 23 1 1 A 96 96 SER N N 102 117.650 116.282 1.368 1 1 1103 . 23 1 1 A 97 97 HIS H H 103 10.115 8.273 1.842 1 1 1104 . 23 1 1 A 97 97 HIS HA H 103 4.406 4.766 -0.360 1 1 1109 . 23 1 1 A 97 97 HIS CA C 103 53.809 55.954 -2.145 1 1 1110 . 23 1 1 A 97 97 HIS CB C 103 30.329 31.633 -1.304 1 1 1111 . 23 1 1 A 97 97 HIS N N 103 118.385 113.827 4.558 1 1 1112 . 23 1 1 A 98 98 SER H H 104 7.241 7.478 -0.237 1 1 1113 . 23 1 1 A 98 98 SER HA H 104 4.406 5.049 -0.643 1 1 1116 . 23 1 1 A 98 98 SER CA C 104 56.712 55.849 0.863 1 1 1117 . 23 1 1 A 98 98 SER CB C 104 65.461 66.185 -0.724 1 1 1118 . 23 1 1 A 98 98 SER N N 104 112.298 112.306 -0.008 1 1 1119 . 23 1 1 A 99 99 ALA H H 105 8.418 8.427 -0.009 1 1 1120 . 23 1 1 A 99 99 ALA HA H 105 4.753 4.969 -0.216 1 1 1124 . 23 1 1 A 99 99 ALA C C 105 173.181 175.955 -2.774 1 1 1125 . 23 1 1 A 99 99 ALA CA C 105 51.363 51.606 -0.243 1 1 1126 . 23 1 1 A 99 99 ALA CB C 105 22.271 23.461 -1.190 1 1 1127 . 23 1 1 A 99 99 ALA N N 105 116.790 121.220 -4.430 1 1 1128 . 23 1 1 A 100 100 LEU H H 106 8.376 8.765 -0.389 1 1 1129 . 23 1 1 A 100 100 LEU HA H 106 5.549 5.497 0.052 1 1 1139 . 23 1 1 A 100 100 LEU C C 106 175.338 174.503 0.835 1 1 1140 . 23 1 1 A 100 100 LEU CA C 106 53.753 53.003 0.750 1 1 1141 . 23 1 1 A 100 100 LEU CB C 106 46.393 46.529 -0.136 1 1 1145 . 23 1 1 A 100 100 LEU N N 106 115.214 117.145 -1.931 1 1 1146 . 23 1 1 A 101 101 THR H H 107 8.685 8.600 0.085 1 1 1147 . 23 1 1 A 101 101 THR HA H 107 5.287 4.996 0.291 1 1 1152 . 23 1 1 A 101 101 THR C C 107 172.493 173.301 -0.808 1 1 1153 . 23 1 1 A 101 101 THR CA C 107 57.069 60.784 -3.715 1 1 1154 . 23 1 1 A 101 101 THR CB C 107 71.308 71.706 -0.398 1 1 1156 . 23 1 1 A 101 101 THR N N 107 109.441 116.565 -7.124 1 1 1157 . 23 1 1 A 102 102 ALA H H 108 8.459 9.086 -0.627 1 1 1158 . 23 1 1 A 102 102 ALA HA H 108 4.366 5.259 -0.893 1 1 1162 . 23 1 1 A 102 102 ALA C C 108 173.439 175.541 -2.102 1 1 1163 . 23 1 1 A 102 102 ALA CA C 108 51.015 49.982 1.033 1 1 1164 . 23 1 1 A 102 102 ALA CB C 108 23.424 22.939 0.485 1 1 1165 . 23 1 1 A 102 102 ALA N N 108 120.716 128.432 -7.716 1 1 1166 . 23 1 1 A 103 103 PHE H H 109 8.510 8.748 -0.238 1 1 1167 . 23 1 1 A 103 103 PHE HA H 109 4.715 5.136 -0.421 1 1 1175 . 23 1 1 A 103 103 PHE C C 109 174.173 174.988 -0.815 1 1 1176 . 23 1 1 A 103 103 PHE CA C 109 56.640 56.358 0.282 1 1 1177 . 23 1 1 A 103 103 PHE CB C 109 41.926 41.830 0.096 1 1 1178 . 23 1 1 A 103 103 PHE N N 109 115.041 118.861 -3.820 1 1 1179 . 23 1 1 A 104 104 GLN H H 110 9.832 8.178 1.654 1 1 1180 . 23 1 1 A 104 104 GLN HA H 110 5.226 4.818 0.408 1 1 1187 . 23 1 1 A 104 104 GLN C C 110 175.186 174.539 0.647 1 1 1188 . 23 1 1 A 104 104 GLN CA C 110 53.213 55.580 -2.367 1 1 1189 . 23 1 1 A 104 104 GLN CB C 110 29.161 30.339 -1.178 1 1 1191 . 23 1 1 A 104 104 GLN N N 110 124.526 121.304 3.222 1 1 1193 . 23 1 1 A 105 105 THR H H 111 9.566 8.785 0.781 1 1 1194 . 23 1 1 A 105 105 THR HA H 111 4.186 4.552 -0.366 1 1 1199 . 23 1 1 A 105 105 THR C C 111 174.538 173.787 0.751 1 1 1200 . 23 1 1 A 105 105 THR CA C 111 66.408 62.572 3.836 1 1 1201 . 23 1 1 A 105 105 THR CB C 111 69.385 69.735 -0.350 1 1 1203 . 23 1 1 A 105 105 THR N N 111 126.760 122.784 3.976 1 1 1204 . 23 1 1 A 106 106 GLU H H 112 9.303 9.124 0.179 1 1 1205 . 23 1 1 A 106 106 GLU HA H 112 4.811 4.718 0.093 1 1 1210 . 23 1 1 A 106 106 GLU C C 112 177.397 176.443 0.954 1 1 1211 . 23 1 1 A 106 106 GLU CA C 112 56.227 57.477 -1.250 1 1 1212 . 23 1 1 A 106 106 GLU CB C 112 31.283 32.042 -0.759 1 1 1214 . 23 1 1 A 106 106 GLU N N 112 121.685 124.756 -3.071 1 1 1215 . 23 1 1 A 107 107 GLN H H 113 7.954 8.035 -0.081 1 1 1216 . 23 1 1 A 107 107 GLN HA H 113 5.233 4.893 0.340 1 1 1221 . 23 1 1 A 107 107 GLN C C 113 173.999 174.070 -0.071 1 1 1222 . 23 1 1 A 107 107 GLN CA C 113 53.837 54.340 -0.503 1 1 1223 . 23 1 1 A 107 107 GLN CB C 113 32.543 31.865 0.678 1 1 1225 . 23 1 1 A 107 107 GLN N N 113 117.612 113.558 4.054 1 1 1226 . 23 1 1 A 108 108 ILE H H 114 8.969 8.865 0.104 1 1 1227 . 23 1 1 A 108 108 ILE HA H 114 4.907 4.901 0.006 1 1 1237 . 23 1 1 A 108 108 ILE C C 114 174.089 174.346 -0.257 1 1 1238 . 23 1 1 A 108 108 ILE CA C 114 58.954 58.577 0.377 1 1 1239 . 23 1 1 A 108 108 ILE CB C 114 42.799 42.215 0.584 1 1 1243 . 23 1 1 A 108 108 ILE N N 114 115.049 120.241 -5.192 1 1 1244 . 23 1 1 A 109 109 GLN H H 115 7.421 8.357 -0.936 1 1 1245 . 23 1 1 A 109 109 GLN HA H 115 4.405 4.680 -0.275 1 1 1252 . 23 1 1 A 109 109 GLN C C 115 175.654 175.204 0.450 1 1 1253 . 23 1 1 A 109 109 GLN CA C 115 56.086 55.682 0.404 1 1 1254 . 23 1 1 A 109 109 GLN CB C 115 28.483 29.695 -1.212 1 1 1256 . 23 1 1 A 109 109 GLN N N 115 121.959 123.880 -1.921 1 1 1258 . 23 1 1 A 110 110 ASP H H 116 8.569 8.699 -0.130 1 1 1259 . 23 1 1 A 110 110 ASP HA H 116 4.377 4.871 -0.494 1 1 1262 . 23 1 1 A 110 110 ASP C C 116 176.662 177.519 -0.857 1 1 1263 . 23 1 1 A 110 110 ASP CA C 116 53.511 53.782 -0.271 1 1 1264 . 23 1 1 A 110 110 ASP CB C 116 41.187 41.305 -0.118 1 1 1265 . 23 1 1 A 110 110 ASP N N 116 125.621 125.148 0.473 1 1 1266 . 23 1 1 A 111 111 SER H H 117 8.445 9.010 -0.565 1 1 1267 . 23 1 1 A 111 111 SER HA H 117 4.024 4.445 -0.421 1 1 1270 . 23 1 1 A 111 111 SER C C 117 174.783 175.012 -0.229 1 1 1271 . 23 1 1 A 111 111 SER CA C 117 60.782 59.027 1.755 1 1 1272 . 23 1 1 A 111 111 SER CB C 117 62.560 63.367 -0.807 1 1 1273 . 23 1 1 A 111 111 SER N N 117 120.732 121.093 -0.361 1 1 1274 . 23 1 1 A 112 112 GLU H H 118 8.246 8.177 0.069 1 1 1275 . 23 1 1 A 112 112 GLU HA H 118 4.044 4.581 -0.537 1 1 1280 . 23 1 1 A 112 112 GLU C C 118 175.899 178.447 -2.548 1 1 1281 . 23 1 1 A 112 112 GLU CA C 118 56.016 57.419 -1.403 1 1 1282 . 23 1 1 A 112 112 GLU CB C 118 29.853 30.957 -1.104 1 1 1284 . 23 1 1 A 112 112 GLU N N 118 119.367 119.006 0.361 1 1 1285 . 23 1 1 A 113 113 HIS H H 119 7.418 8.259 -0.841 1 1 1286 . 23 1 1 A 113 113 HIS HA H 119 4.607 4.508 0.099 1 1 1291 . 23 1 1 A 113 113 HIS C C 119 173.527 174.784 -1.257 1 1 1292 . 23 1 1 A 113 113 HIS CA C 119 54.515 58.086 -3.571 1 1 1293 . 23 1 1 A 113 113 HIS CB C 119 28.667 30.428 -1.761 1 1 1294 . 23 1 1 A 113 113 HIS N N 119 117.287 121.007 -3.720 1 1 1295 . 23 1 1 A 114 114 SER H H 120 8.398 8.256 0.142 1 1 1296 . 23 1 1 A 114 114 SER HA H 120 4.183 4.204 -0.021 1 1 1299 . 23 1 1 A 114 114 SER C C 120 175.690 174.627 1.063 1 1 1300 . 23 1 1 A 114 114 SER CA C 120 59.149 59.453 -0.304 1 1 1301 . 23 1 1 A 114 114 SER CB C 120 62.820 61.293 1.527 1 1 1302 . 23 1 1 A 114 114 SER N N 120 116.771 112.754 4.017 1 1 1303 . 23 1 1 A 115 115 GLY H H 121 8.733 7.935 0.798 1 1 1304 . 23 1 1 A 115 115 GLY HA2 H 121 4.052 4.076 -0.024 1 1 1305 . 23 1 1 A 115 115 GLY HA3 H 121 3.724 4.086 -0.362 1 1 1306 . 23 1 1 A 115 115 GLY C C 121 173.540 174.930 -1.390 1 1 1307 . 23 1 1 A 115 115 GLY CA C 121 44.692 45.494 -0.802 1 1 1308 . 23 1 1 A 115 115 GLY N N 121 112.197 106.282 5.915 1 1 1309 . 23 1 1 A 116 116 LYS H H 122 7.796 7.788 0.008 1 1 1310 . 23 1 1 A 116 116 LYS HA H 122 4.465 4.205 0.260 1 1 1317 . 23 1 1 A 116 116 LYS C C 122 175.090 175.183 -0.093 1 1 1318 . 23 1 1 A 116 116 LYS CA C 122 55.122 56.374 -1.252 1 1 1319 . 23 1 1 A 116 116 LYS CB C 122 33.861 34.038 -0.177 1 1 1322 . 23 1 1 A 116 116 LYS N N 122 120.212 120.531 -0.319 1 1 1323 . 23 1 1 A 117 117 MET H H 123 8.348 8.479 -0.131 1 1 1324 . 23 1 1 A 117 117 MET HA H 123 5.082 5.201 -0.119 1 1 1332 . 23 1 1 A 117 117 MET C C 123 176.210 174.768 1.442 1 1 1333 . 23 1 1 A 117 117 MET CA C 123 52.928 54.157 -1.229 1 1 1334 . 23 1 1 A 117 117 MET CB C 123 33.841 35.629 -1.788 1 1 1337 . 23 1 1 A 117 117 MET N N 123 119.755 120.596 -0.841 1 1 1338 . 23 1 1 A 118 118 VAL H H 124 9.242 9.017 0.225 1 1 1339 . 23 1 1 A 118 118 VAL HA H 124 4.469 4.922 -0.453 1 1 1347 . 23 1 1 A 118 118 VAL C C 124 173.967 174.268 -0.301 1 1 1348 . 23 1 1 A 118 118 VAL CA C 124 59.056 59.610 -0.554 1 1 1349 . 23 1 1 A 118 118 VAL CB C 124 34.376 35.389 -1.013 1 1 1351 . 23 1 1 A 118 118 VAL N N 124 118.546 119.995 -1.449 1 1 1352 . 23 1 1 A 119 119 ALA H H 125 8.327 8.840 -0.513 1 1 1353 . 23 1 1 A 119 119 ALA HA H 125 4.624 5.145 -0.521 1 1 1357 . 23 1 1 A 119 119 ALA C C 125 177.165 176.142 1.023 1 1 1358 . 23 1 1 A 119 119 ALA CA C 125 52.043 50.457 1.586 1 1 1359 . 23 1 1 A 119 119 ALA CB C 125 18.232 20.198 -1.966 1 1 1360 . 23 1 1 A 119 119 ALA N N 125 125.947 125.843 0.104 1 1 1361 . 23 1 1 A 120 120 LYS H H 126 7.604 8.921 -1.317 1 1 1362 . 23 1 1 A 120 120 LYS HA H 126 4.046 4.877 -0.831 1 1 1371 . 23 1 1 A 120 120 LYS C C 126 172.631 175.883 -3.252 1 1 1372 . 23 1 1 A 120 120 LYS CA C 126 56.023 54.549 1.474 1 1 1373 . 23 1 1 A 120 120 LYS CB C 126 34.482 34.429 0.053 1 1 1377 . 23 1 1 A 120 120 LYS N N 126 126.149 123.740 2.409 1 1 1378 . 23 1 1 A 121 121 ARG H H 127 8.308 8.721 -0.413 1 1 1379 . 23 1 1 A 121 121 ARG HA H 127 4.901 4.734 0.167 1 1 1384 . 23 1 1 A 121 121 ARG C C 127 176.253 175.207 1.046 1 1 1385 . 23 1 1 A 121 121 ARG CA C 127 55.564 55.553 0.011 1 1 1386 . 23 1 1 A 121 121 ARG CB C 127 28.273 28.744 -0.471 1 1 1388 . 23 1 1 A 121 121 ARG N N 127 122.760 124.574 -1.814 1 1 1389 . 23 1 1 A 122 122 GLN H H 128 7.529 8.936 -1.407 1 1 1390 . 23 1 1 A 122 122 GLN HA H 128 4.541 4.664 -0.123 1 1 1397 . 23 1 1 A 122 122 GLN C C 128 172.163 175.186 -3.023 1 1 1398 . 23 1 1 A 122 122 GLN CA C 128 54.218 55.056 -0.838 1 1 1399 . 23 1 1 A 122 122 GLN CB C 128 32.064 28.966 3.098 1 1 1401 . 23 1 1 A 122 122 GLN N N 128 121.022 123.719 -2.697 1 1 1403 . 23 1 1 A 123 123 PHE H H 129 8.620 8.825 -0.205 1 1 1404 . 23 1 1 A 123 123 PHE HA H 129 6.040 5.137 0.903 1 1 1411 . 23 1 1 A 123 123 PHE C C 129 174.530 174.773 -0.243 1 1 1412 . 23 1 1 A 123 123 PHE CA C 129 56.026 58.508 -2.482 1 1 1413 . 23 1 1 A 123 123 PHE CB C 129 42.143 40.419 1.724 1 1 1414 . 23 1 1 A 123 123 PHE N N 129 125.540 128.789 -3.249 1 1 1415 . 23 1 1 A 124 124 ARG H H 130 8.018 8.048 -0.030 1 1 1416 . 23 1 1 A 124 124 ARG HA H 130 4.366 4.724 -0.358 1 1 1423 . 23 1 1 A 124 124 ARG C C 130 172.139 173.181 -1.042 1 1 1424 . 23 1 1 A 124 124 ARG CA C 130 53.422 54.303 -0.881 1 1 1425 . 23 1 1 A 124 124 ARG CB C 130 32.310 34.139 -1.829 1 1 1428 . 23 1 1 A 124 124 ARG N N 130 125.264 123.452 1.812 1 1 1429 . 23 1 1 A 125 125 ILE H H 131 8.462 8.211 0.251 1 1 1430 . 23 1 1 A 125 125 ILE HA H 131 3.883 4.945 -1.062 1 1 1440 . 23 1 1 A 125 125 ILE C C 131 175.487 174.246 1.241 1 1 1441 . 23 1 1 A 125 125 ILE CA C 131 58.339 59.117 -0.778 1 1 1442 . 23 1 1 A 125 125 ILE CB C 131 35.673 40.866 -5.193 1 1 1446 . 23 1 1 A 125 125 ILE N N 131 121.887 121.490 0.397 1 1 1447 . 23 1 1 A 126 126 GLY H H 132 8.814 7.872 0.942 1 1 1448 . 23 1 1 A 126 126 GLY HA2 H 132 4.062 4.058 0.004 1 1 1449 . 23 1 1 A 126 126 GLY HA3 H 132 4.062 4.111 -0.049 1 1 1450 . 23 1 1 A 126 126 GLY C C 132 171.583 172.053 -0.470 1 1 1451 . 23 1 1 A 126 126 GLY CA C 132 44.157 45.557 -1.400 1 1 1452 . 23 1 1 A 126 126 GLY N N 132 115.675 114.131 1.544 1 1 1453 . 23 1 1 A 127 127 ASP H H 133 7.914 8.941 -1.027 1 1 1454 . 23 1 1 A 127 127 ASP HA H 133 4.584 5.238 -0.654 1 1 1457 . 23 1 1 A 127 127 ASP C C 133 174.132 174.400 -0.268 1 1 1458 . 23 1 1 A 127 127 ASP CA C 133 54.822 53.823 0.999 1 1 1459 . 23 1 1 A 127 127 ASP CB C 133 45.407 43.725 1.682 1 1 1460 . 23 1 1 A 127 127 ASP N N 133 123.737 123.764 -0.027 1 1 1461 . 23 1 1 A 128 128 ILE H H 134 8.258 8.861 -0.603 1 1 1462 . 23 1 1 A 128 128 ILE HA H 134 4.392 4.982 -0.590 1 1 1472 . 23 1 1 A 128 128 ILE C C 134 174.799 174.636 0.163 1 1 1473 . 23 1 1 A 128 128 ILE CA C 134 61.596 60.467 1.129 1 1 1474 . 23 1 1 A 128 128 ILE CB C 134 37.549 40.625 -3.076 1 1 1478 . 23 1 1 A 128 128 ILE N N 134 119.105 123.963 -4.858 1 1 1479 . 23 1 1 A 129 129 ALA H H 135 8.607 8.732 -0.125 1 1 1480 . 23 1 1 A 129 129 ALA HA H 135 4.757 5.303 -0.546 1 1 1484 . 23 1 1 A 129 129 ALA C C 135 173.358 175.786 -2.428 1 1 1485 . 23 1 1 A 129 129 ALA CA C 135 50.608 50.818 -0.210 1 1 1486 . 23 1 1 A 129 129 ALA CB C 135 23.348 23.388 -0.040 1 1 1487 . 23 1 1 A 129 129 ALA N N 135 129.336 129.643 -0.307 1 1 1488 . 23 1 1 A 130 130 GLY H H 136 7.514 8.279 -0.765 1 1 1489 . 23 1 1 A 130 130 GLY HA2 H 136 3.551 3.500 0.051 1 1 1490 . 23 1 1 A 130 130 GLY HA3 H 136 4.422 3.997 0.425 1 1 1491 . 23 1 1 A 130 130 GLY C C 136 172.609 172.086 0.523 1 1 1492 . 23 1 1 A 130 130 GLY CA C 136 44.315 45.130 -0.815 1 1 1493 . 23 1 1 A 130 130 GLY N N 136 101.232 107.236 -6.004 1 1 1494 . 23 1 1 A 131 131 GLU H H 137 8.225 8.539 -0.314 1 1 1495 . 23 1 1 A 131 131 GLU HA H 137 4.540 4.515 0.025 1 1 1500 . 23 1 1 A 131 131 GLU C C 137 174.864 176.488 -1.624 1 1 1501 . 23 1 1 A 131 131 GLU CA C 137 53.120 55.534 -2.414 1 1 1502 . 23 1 1 A 131 131 GLU CB C 137 28.254 28.848 -0.594 1 1 1504 . 23 1 1 A 131 131 GLU N N 137 121.002 120.110 0.892 1 1 1505 . 23 1 1 A 132 132 HIS H H 138 8.054 7.295 0.759 1 1 1506 . 23 1 1 A 132 132 HIS HA H 138 4.771 4.794 -0.023 1 1 1511 . 23 1 1 A 132 132 HIS C C 138 175.411 175.008 0.403 1 1 1512 . 23 1 1 A 132 132 HIS CA C 138 57.942 55.447 2.495 1 1 1513 . 23 1 1 A 132 132 HIS CB C 138 27.710 30.412 -2.702 1 1 1514 . 23 1 1 A 132 132 HIS N N 138 124.204 122.252 1.952 1 1 1515 . 23 1 1 A 133 133 THR H H 139 9.056 8.363 0.693 1 1 1516 . 23 1 1 A 133 133 THR HA H 139 3.864 4.800 -0.936 1 1 1521 . 23 1 1 A 133 133 THR C C 139 174.178 173.622 0.556 1 1 1522 . 23 1 1 A 133 133 THR CA C 139 63.225 60.676 2.549 1 1 1523 . 23 1 1 A 133 133 THR CB C 139 68.127 72.300 -4.173 1 1 1525 . 23 1 1 A 133 133 THR N N 139 125.345 117.737 7.608 1 1 1526 . 23 1 1 A 134 134 SER H H 140 8.834 8.346 0.488 1 1 1527 . 23 1 1 A 134 134 SER HA H 140 4.560 4.603 -0.043 1 1 1530 . 23 1 1 A 134 134 SER C C 140 176.713 175.940 0.773 1 1 1531 . 23 1 1 A 134 134 SER CA C 140 57.961 59.019 -1.058 1 1 1532 . 23 1 1 A 134 134 SER CB C 140 63.030 63.716 -0.686 1 1 1533 . 23 1 1 A 134 134 SER N N 140 121.791 119.804 1.987 1 1 1534 . 23 1 1 A 135 135 PHE H H 141 9.597 8.819 0.778 1 1 1535 . 23 1 1 A 135 135 PHE HA H 141 3.953 4.417 -0.464 1 1 1542 . 23 1 1 A 135 135 PHE C C 141 175.375 176.599 -1.224 1 1 1543 . 23 1 1 A 135 135 PHE CA C 141 61.339 59.754 1.585 1 1 1544 . 23 1 1 A 135 135 PHE CB C 141 39.394 38.286 1.108 1 1 1545 . 23 1 1 A 135 135 PHE N N 141 128.822 122.576 6.246 1 1 1546 . 23 1 1 A 136 136 ASP H H 142 8.017 7.430 0.587 1 1 1547 . 23 1 1 A 136 136 ASP HA H 142 4.352 4.171 0.181 1 1 1550 . 23 1 1 A 136 136 ASP C C 142 175.358 176.643 -1.285 1 1 1551 . 23 1 1 A 136 136 ASP CA C 142 55.223 54.788 0.435 1 1 1552 . 23 1 1 A 136 136 ASP CB C 142 40.968 38.922 2.046 1 1 1553 . 23 1 1 A 136 136 ASP N N 142 113.108 118.954 -5.846 1 1 1554 . 23 1 1 A 137 137 LYS H H 143 7.340 7.479 -0.139 1 1 1555 . 23 1 1 A 137 137 LYS HA H 143 4.439 4.291 0.148 1 1 1564 . 23 1 1 A 137 137 LYS C C 143 175.571 176.411 -0.840 1 1 1565 . 23 1 1 A 137 137 LYS CA C 143 54.096 56.977 -2.881 1 1 1566 . 23 1 1 A 137 137 LYS CB C 143 32.545 32.957 -0.412 1 1 1570 . 23 1 1 A 137 137 LYS N N 143 117.716 117.087 0.629 1 1 1571 . 23 1 1 A 138 138 LEU H H 144 6.698 7.391 -0.693 1 1 1572 . 23 1 1 A 138 138 LEU HA H 144 3.903 4.545 -0.642 1 1 1582 . 23 1 1 A 138 138 LEU C C 144 174.123 175.139 -1.016 1 1 1583 . 23 1 1 A 138 138 LEU CA C 144 52.843 51.650 1.193 1 1 1584 . 23 1 1 A 138 138 LEU CB C 144 40.993 42.179 -1.186 1 1 1588 . 23 1 1 A 138 138 LEU N N 144 120.536 120.332 0.204 1 1 1589 . 23 1 1 A 139 139 PRO HA H 145 4.040 4.620 -0.580 1 1 1596 . 23 1 1 A 139 139 PRO C C 145 172.700 177.001 -4.301 1 1 1597 . 23 1 1 A 139 139 PRO CA C 145 62.654 62.809 -0.155 1 1 1598 . 23 1 1 A 139 139 PRO CB C 145 30.086 32.611 -2.525 1 1 1601 . 23 1 1 A 140 140 GLU H H 146 8.343 8.927 -0.584 1 1 1602 . 23 1 1 A 140 140 GLU HA H 146 3.970 4.804 -0.834 1 1 1607 . 23 1 1 A 140 140 GLU C C 146 176.009 177.246 -1.237 1 1 1608 . 23 1 1 A 140 140 GLU CA C 146 56.119 56.252 -0.133 1 1 1609 . 23 1 1 A 140 140 GLU CB C 146 30.086 28.931 1.155 1 1 1611 . 23 1 1 A 140 140 GLU N N 146 119.063 121.487 -2.424 1 1 1612 . 23 1 1 A 141 141 GLY H H 147 7.241 8.177 -0.936 1 1 1613 . 23 1 1 A 141 141 GLY HA2 H 147 3.918 3.793 0.125 1 1 1614 . 23 1 1 A 141 141 GLY HA3 H 147 3.814 3.819 -0.005 1 1 1615 . 23 1 1 A 141 141 GLY C C 147 171.657 174.538 -2.881 1 1 1616 . 23 1 1 A 141 141 GLY CA C 147 43.929 46.889 -2.960 1 1 1617 . 23 1 1 A 141 141 GLY N N 147 104.270 109.725 -5.455 1 1 1618 . 23 1 1 A 142 142 GLY H H 148 8.241 7.556 0.685 1 1 1619 . 23 1 1 A 142 142 GLY HA2 H 148 3.710 4.124 -0.414 1 1 1620 . 23 1 1 A 142 142 GLY HA3 H 148 4.350 4.155 0.195 1 1 1621 . 23 1 1 A 142 142 GLY C C 148 171.767 173.208 -1.441 1 1 1622 . 23 1 1 A 142 142 GLY CA C 148 43.649 45.770 -2.121 1 1 1623 . 23 1 1 A 142 142 GLY N N 148 106.996 104.599 2.397 1 1 1624 . 23 1 1 A 143 143 ARG H H 149 8.214 8.155 0.059 1 1 1625 . 23 1 1 A 143 143 ARG HA H 149 5.376 4.478 0.898 1 1 1632 . 23 1 1 A 143 143 ARG C C 149 174.981 175.909 -0.928 1 1 1633 . 23 1 1 A 143 143 ARG CA C 149 54.235 56.354 -2.119 1 1 1634 . 23 1 1 A 143 143 ARG CB C 149 32.988 30.509 2.479 1 1 1637 . 23 1 1 A 143 143 ARG N N 149 117.762 117.973 -0.211 1 1 1638 . 23 1 1 A 144 144 ALA H H 150 9.030 8.844 0.186 1 1 1639 . 23 1 1 A 144 144 ALA HA H 150 4.730 5.204 -0.474 1 1 1643 . 23 1 1 A 144 144 ALA C C 150 175.012 175.800 -0.788 1 1 1644 . 23 1 1 A 144 144 ALA CA C 150 50.732 50.326 0.406 1 1 1645 . 23 1 1 A 144 144 ALA CB C 150 23.448 22.321 1.127 1 1 1646 . 23 1 1 A 144 144 ALA N N 150 126.630 125.985 0.645 1 1 1647 . 23 1 1 A 145 145 THR H H 151 8.560 8.672 -0.112 1 1 1648 . 23 1 1 A 145 145 THR HA H 151 4.846 4.718 0.128 1 1 1653 . 23 1 1 A 145 145 THR C C 151 171.870 173.276 -1.406 1 1 1654 . 23 1 1 A 145 145 THR CA C 151 61.997 62.505 -0.508 1 1 1655 . 23 1 1 A 145 145 THR CB C 151 69.746 70.087 -0.341 1 1 1657 . 23 1 1 A 145 145 THR N N 151 117.942 117.800 0.142 1 1 1658 . 23 1 1 A 146 146 TYR H H 152 10.008 8.741 1.267 1 1 1659 . 23 1 1 A 146 146 TYR HA H 152 4.580 5.240 -0.660 1 1 1666 . 23 1 1 A 146 146 TYR C C 152 174.627 174.541 0.086 1 1 1667 . 23 1 1 A 146 146 TYR CA C 152 55.835 56.260 -0.425 1 1 1668 . 23 1 1 A 146 146 TYR CB C 152 40.094 43.414 -3.320 1 1 1669 . 23 1 1 A 146 146 TYR N N 152 126.097 123.694 2.403 1 1 1670 . 23 1 1 A 147 147 ARG H H 153 8.860 8.358 0.502 1 1 1671 . 23 1 1 A 147 147 ARG HA H 153 5.404 5.224 0.180 1 1 1678 . 23 1 1 A 147 147 ARG C C 153 177.446 175.184 2.262 1 1 1679 . 23 1 1 A 147 147 ARG CA C 153 54.024 55.328 -1.304 1 1 1680 . 23 1 1 A 147 147 ARG CB C 153 33.539 34.285 -0.746 1 1 1683 . 23 1 1 A 147 147 ARG N N 153 121.042 122.281 -1.239 1 1 1684 . 23 1 1 A 148 148 GLY H H 154 8.916 8.306 0.610 1 1 1685 . 23 1 1 A 148 148 GLY HA2 H 154 4.816 4.302 0.514 1 1 1686 . 23 1 1 A 148 148 GLY HA3 H 154 4.422 4.308 0.114 1 1 1687 . 23 1 1 A 148 148 GLY C C 154 173.831 171.526 2.305 1 1 1688 . 23 1 1 A 148 148 GLY CA C 154 46.752 45.974 0.778 1 1 1689 . 23 1 1 A 148 148 GLY N N 154 114.154 110.810 3.344 1 1 1690 . 23 1 1 A 149 149 THR H H 155 9.063 8.597 0.466 1 1 1691 . 23 1 1 A 149 149 THR HA H 155 4.711 5.077 -0.366 1 1 1696 . 23 1 1 A 149 149 THR C C 155 170.370 173.749 -3.379 1 1 1697 . 23 1 1 A 149 149 THR CA C 155 62.316 61.499 0.817 1 1 1698 . 23 1 1 A 149 149 THR CB C 155 72.596 71.375 1.221 1 1 1700 . 23 1 1 A 149 149 THR N N 155 126.410 116.190 10.220 1 1 1701 . 23 1 1 A 150 150 ALA H H 156 7.091 9.197 -2.106 1 1 1702 . 23 1 1 A 150 150 ALA HA H 156 5.289 5.451 -0.162 1 1 1706 . 23 1 1 A 150 150 ALA C C 156 173.965 176.317 -2.352 1 1 1707 . 23 1 1 A 150 150 ALA CA C 156 48.843 50.681 -1.838 1 1 1708 . 23 1 1 A 150 150 ALA CB C 156 22.573 21.367 1.206 1 1 1709 . 23 1 1 A 150 150 ALA N N 156 127.540 127.095 0.445 1 1 1710 . 23 1 1 A 151 151 PHE H H 157 8.536 8.662 -0.126 1 1 1711 . 23 1 1 A 151 151 PHE HA H 157 5.442 5.706 -0.264 1 1 1718 . 23 1 1 A 151 151 PHE C C 157 171.891 174.068 -2.177 1 1 1719 . 23 1 1 A 151 151 PHE CA C 157 53.282 55.350 -2.068 1 1 1720 . 23 1 1 A 151 151 PHE CB C 157 41.020 42.013 -0.993 1 1 1721 . 23 1 1 A 151 151 PHE N N 157 117.013 118.985 -1.972 1 1 1722 . 23 1 1 A 152 152 GLY H H 158 8.548 8.591 -0.043 1 1 1723 . 23 1 1 A 152 152 GLY HA2 H 158 4.003 4.102 -0.099 1 1 1724 . 23 1 1 A 152 152 GLY HA3 H 158 3.124 4.270 -1.146 1 1 1725 . 23 1 1 A 152 152 GLY C C 158 173.148 173.701 -0.553 1 1 1726 . 23 1 1 A 152 152 GLY CA C 158 42.630 45.295 -2.665 1 1 1727 . 23 1 1 A 152 152 GLY N N 158 108.356 108.472 -0.116 1 1 1728 . 23 1 1 A 153 153 SER H H 159 7.610 7.996 -0.386 1 1 1729 . 23 1 1 A 153 153 SER HA H 159 3.421 4.206 -0.785 1 1 1732 . 23 1 1 A 153 153 SER C C 159 176.057 174.368 1.689 1 1 1733 . 23 1 1 A 153 153 SER CA C 159 58.787 58.225 0.562 1 1 1734 . 23 1 1 A 153 153 SER CB C 159 61.886 62.561 -0.675 1 1 1735 . 23 1 1 A 153 153 SER N N 159 115.173 115.745 -0.572 1 1 1736 . 23 1 1 A 154 154 ASP H H 160 9.894 8.188 1.706 1 1 1737 . 23 1 1 A 154 154 ASP HA H 160 4.168 4.860 -0.692 1 1 1740 . 23 1 1 A 154 154 ASP C C 160 175.191 176.207 -1.016 1 1 1741 . 23 1 1 A 154 154 ASP CA C 160 55.398 54.961 0.437 1 1 1742 . 23 1 1 A 154 154 ASP CB C 160 39.212 42.220 -3.008 1 1 1743 . 23 1 1 A 154 154 ASP N N 160 124.828 118.498 6.330 1 1 1744 . 23 1 1 A 155 155 ASP H H 161 7.520 8.198 -0.678 1 1 1745 . 23 1 1 A 155 155 ASP HA H 161 4.568 4.945 -0.377 1 1 1748 . 23 1 1 A 155 155 ASP C C 161 172.658 176.002 -3.344 1 1 1749 . 23 1 1 A 155 155 ASP CA C 161 54.342 55.450 -1.108 1 1 1750 . 23 1 1 A 155 155 ASP CB C 161 40.619 43.214 -2.595 1 1 1751 . 23 1 1 A 155 155 ASP N N 161 116.749 118.230 -1.481 1 1 1752 . 23 1 1 A 156 156 ALA H H 162 8.544 8.120 0.424 1 1 1753 . 23 1 1 A 156 156 ALA HA H 162 4.916 4.177 0.739 1 1 1757 . 23 1 1 A 156 156 ALA C C 162 177.708 177.678 0.030 1 1 1758 . 23 1 1 A 156 156 ALA CA C 162 49.878 53.725 -3.847 1 1 1759 . 23 1 1 A 156 156 ALA CB C 162 17.473 18.283 -0.810 1 1 1760 . 23 1 1 A 156 156 ALA N N 162 128.246 120.513 7.733 1 1 1761 . 23 1 1 A 157 157 GLY H H 163 8.406 8.430 -0.024 1 1 1762 . 23 1 1 A 157 157 GLY HA2 H 163 4.286 3.969 0.317 1 1 1763 . 23 1 1 A 157 157 GLY HA3 H 163 3.894 3.972 -0.078 1 1 1764 . 23 1 1 A 157 157 GLY C C 163 174.344 174.791 -0.447 1 1 1765 . 23 1 1 A 157 157 GLY CA C 163 45.049 45.741 -0.692 1 1 1766 . 23 1 1 A 157 157 GLY N N 163 106.545 106.168 0.377 1 1 1767 . 23 1 1 A 158 158 GLY H H 164 7.128 7.862 -0.734 1 1 1768 . 23 1 1 A 158 158 GLY HA2 H 164 4.118 4.042 0.076 1 1 1769 . 23 1 1 A 158 158 GLY HA3 H 164 3.641 4.060 -0.419 1 1 1770 . 23 1 1 A 158 158 GLY C C 164 173.903 173.083 0.820 1 1 1771 . 23 1 1 A 158 158 GLY CA C 164 45.225 45.515 -0.290 1 1 1772 . 23 1 1 A 158 158 GLY N N 164 106.404 107.948 -1.544 1 1 1773 . 23 1 1 A 159 159 LYS H H 165 9.647 8.465 1.182 1 1 1774 . 23 1 1 A 159 159 LYS HA H 165 5.052 5.043 0.009 1 1 1781 . 23 1 1 A 159 159 LYS C C 165 174.390 175.775 -1.385 1 1 1782 . 23 1 1 A 159 159 LYS CA C 165 53.501 54.330 -0.829 1 1 1783 . 23 1 1 A 159 159 LYS CB C 165 34.622 35.584 -0.962 1 1 1786 . 23 1 1 A 159 159 LYS N N 165 123.930 121.459 2.471 1 1 1787 . 23 1 1 A 160 160 LEU H H 166 7.706 8.804 -1.098 1 1 1788 . 23 1 1 A 160 160 LEU HA H 166 4.873 5.288 -0.415 1 1 1798 . 23 1 1 A 160 160 LEU C C 166 174.825 174.983 -0.158 1 1 1799 . 23 1 1 A 160 160 LEU CA C 166 52.677 53.028 -0.351 1 1 1800 . 23 1 1 A 160 160 LEU CB C 166 44.629 46.363 -1.734 1 1 1804 . 23 1 1 A 160 160 LEU N N 166 126.271 119.028 7.243 1 1 1805 . 23 1 1 A 161 161 THR H H 167 8.374 8.868 -0.494 1 1 1806 . 23 1 1 A 161 161 THR HA H 167 4.949 5.068 -0.119 1 1 1811 . 23 1 1 A 161 161 THR C C 167 172.102 172.940 -0.838 1 1 1812 . 23 1 1 A 161 161 THR CA C 167 61.761 62.478 -0.717 1 1 1813 . 23 1 1 A 161 161 THR CB C 167 70.169 70.472 -0.303 1 1 1815 . 23 1 1 A 161 161 THR N N 167 122.977 117.101 5.876 1 1 1816 . 23 1 1 A 162 162 TYR H H 168 9.174 9.224 -0.050 1 1 1817 . 23 1 1 A 162 162 TYR HA H 168 4.766 5.386 -0.620 1 1 1824 . 23 1 1 A 162 162 TYR C C 168 172.249 173.959 -1.710 1 1 1825 . 23 1 1 A 162 162 TYR CA C 168 58.162 56.545 1.617 1 1 1826 . 23 1 1 A 162 162 TYR CB C 168 43.746 42.062 1.684 1 1 1827 . 23 1 1 A 162 162 TYR N N 168 128.112 126.569 1.543 1 1 1828 . 23 1 1 A 163 163 THR H H 169 8.711 8.297 0.414 1 1 1829 . 23 1 1 A 163 163 THR HA H 169 5.402 5.017 0.385 1 1 1834 . 23 1 1 A 163 163 THR C C 169 172.520 172.568 -0.048 1 1 1835 . 23 1 1 A 163 163 THR CA C 169 60.804 61.489 -0.685 1 1 1836 . 23 1 1 A 163 163 THR CB C 169 70.818 70.922 -0.104 1 1 1838 . 23 1 1 A 163 163 THR N N 169 124.549 121.720 2.829 1 1 1839 . 23 1 1 A 164 164 ILE H H 170 8.927 8.859 0.068 1 1 1840 . 23 1 1 A 164 164 ILE HA H 170 4.313 4.818 -0.505 1 1 1850 . 23 1 1 A 164 164 ILE C C 170 173.105 173.774 -0.669 1 1 1851 . 23 1 1 A 164 164 ILE CA C 170 60.595 59.796 0.799 1 1 1852 . 23 1 1 A 164 164 ILE CB C 170 41.274 41.213 0.061 1 1 1856 . 23 1 1 A 164 164 ILE N N 170 123.685 128.655 -4.970 1 1 1857 . 23 1 1 A 165 165 ASP H H 171 8.372 8.252 0.120 1 1 1858 . 23 1 1 A 165 165 ASP HA H 171 4.750 4.933 -0.183 1 1 1861 . 23 1 1 A 165 165 ASP C C 171 177.213 177.254 -0.041 1 1 1862 . 23 1 1 A 165 165 ASP CA C 171 51.669 53.297 -1.628 1 1 1863 . 23 1 1 A 165 165 ASP CB C 171 41.730 41.159 0.571 1 1 1864 . 23 1 1 A 165 165 ASP N N 171 125.168 129.732 -4.564 1 1 1865 . 23 1 1 A 166 166 PHE H H 172 8.968 8.880 0.088 1 1 1866 . 23 1 1 A 166 166 PHE HA H 172 3.879 4.309 -0.430 1 1 1874 . 23 1 1 A 166 166 PHE C C 172 176.940 177.272 -0.332 1 1 1875 . 23 1 1 A 166 166 PHE CA C 172 61.543 61.062 0.481 1 1 1876 . 23 1 1 A 166 166 PHE CB C 172 37.424 38.416 -0.992 1 1 1877 . 23 1 1 A 166 166 PHE N N 172 123.597 124.641 -1.044 1 1 1878 . 23 1 1 A 167 167 ALA H H 173 8.266 7.822 0.444 1 1 1879 . 23 1 1 A 167 167 ALA HA H 173 4.322 4.360 -0.038 1 1 1883 . 23 1 1 A 167 167 ALA C C 173 178.888 178.681 0.207 1 1 1884 . 23 1 1 A 167 167 ALA CA C 173 54.458 53.947 0.511 1 1 1885 . 23 1 1 A 167 167 ALA CB C 173 17.591 19.173 -1.582 1 1 1886 . 23 1 1 A 167 167 ALA N N 173 122.113 121.598 0.515 1 1 1887 . 23 1 1 A 168 168 ALA H H 174 7.405 7.880 -0.475 1 1 1888 . 23 1 1 A 168 168 ALA HA H 174 4.096 4.370 -0.274 1 1 1892 . 23 1 1 A 168 168 ALA C C 174 176.605 177.194 -0.589 1 1 1893 . 23 1 1 A 168 168 ALA CA C 174 51.225 51.864 -0.639 1 1 1894 . 23 1 1 A 168 168 ALA CB C 174 18.307 19.223 -0.916 1 1 1895 . 23 1 1 A 168 168 ALA N N 174 118.760 119.091 -0.331 1 1 1896 . 23 1 1 A 169 169 LYS H H 175 7.906 7.941 -0.035 1 1 1897 . 23 1 1 A 169 169 LYS HA H 175 3.391 3.830 -0.439 1 1 1904 . 23 1 1 A 169 169 LYS C C 175 174.608 174.895 -0.287 1 1 1905 . 23 1 1 A 169 169 LYS CA C 175 57.049 57.481 -0.432 1 1 1906 . 23 1 1 A 169 169 LYS CB C 175 30.051 30.693 -0.642 1 1 1909 . 23 1 1 A 169 169 LYS N N 175 114.394 117.375 -2.981 1 1 1910 . 23 1 1 A 170 170 GLN H H 176 7.629 7.127 0.502 1 1 1911 . 23 1 1 A 170 170 GLN HA H 176 5.414 4.930 0.484 1 1 1918 . 23 1 1 A 170 170 GLN C C 176 174.325 174.226 0.099 1 1 1919 . 23 1 1 A 170 170 GLN CA C 176 54.393 54.306 0.087 1 1 1920 . 23 1 1 A 170 170 GLN CB C 176 34.771 31.192 3.579 1 1 1922 . 23 1 1 A 170 170 GLN N N 176 116.433 118.380 -1.947 1 1 1924 . 23 1 1 A 171 171 GLY H H 177 8.854 9.198 -0.344 1 1 1925 . 23 1 1 A 171 171 GLY HA2 H 177 5.205 3.938 1.267 1 1 1926 . 23 1 1 A 171 171 GLY HA3 H 177 3.526 4.107 -0.581 1 1 1927 . 23 1 1 A 171 171 GLY C C 177 170.842 171.999 -1.157 1 1 1928 . 23 1 1 A 171 171 GLY CA C 177 44.621 45.146 -0.525 1 1 1929 . 23 1 1 A 171 171 GLY N N 177 110.189 112.232 -2.043 1 1 1930 . 23 1 1 A 172 172 ASN H H 178 7.637 8.786 -1.149 1 1 1931 . 23 1 1 A 172 172 ASN HA H 178 4.224 5.392 -1.168 1 1 1936 . 23 1 1 A 172 172 ASN C C 178 171.546 174.143 -2.597 1 1 1937 . 23 1 1 A 172 172 ASN CA C 178 53.729 50.743 2.986 1 1 1938 . 23 1 1 A 172 172 ASN CB C 178 41.543 41.146 0.397 1 1 1939 . 23 1 1 A 172 172 ASN N N 178 112.667 122.785 -10.118 1 1 1941 . 23 1 1 A 173 173 GLY H H 179 9.103 8.397 0.706 1 1 1942 . 23 1 1 A 173 173 GLY HA2 H 179 4.491 4.354 0.137 1 1 1943 . 23 1 1 A 173 173 GLY HA3 H 179 4.084 4.473 -0.389 1 1 1944 . 23 1 1 A 173 173 GLY C C 179 172.400 171.784 0.616 1 1 1945 . 23 1 1 A 173 173 GLY CA C 179 47.199 46.136 1.063 1 1 1946 . 23 1 1 A 173 173 GLY N N 179 106.686 108.520 -1.834 1 1 1947 . 23 1 1 A 174 174 LYS H H 180 9.179 8.845 0.334 1 1 1948 . 23 1 1 A 174 174 LYS HA H 180 4.821 4.837 -0.016 1 1 1957 . 23 1 1 A 174 174 LYS C C 180 172.518 174.416 -1.898 1 1 1958 . 23 1 1 A 174 174 LYS CA C 180 56.617 55.470 1.147 1 1 1959 . 23 1 1 A 174 174 LYS CB C 180 35.373 35.154 0.219 1 1 1963 . 23 1 1 A 174 174 LYS N N 180 121.816 117.718 4.098 1 1 1964 . 23 1 1 A 175 175 ILE H H 181 8.351 9.021 -0.670 1 1 1965 . 23 1 1 A 175 175 ILE HA H 181 4.581 4.806 -0.225 1 1 1973 . 23 1 1 A 175 175 ILE C C 181 173.997 175.634 -1.637 1 1 1974 . 23 1 1 A 175 175 ILE CA C 181 60.490 59.707 0.783 1 1 1975 . 23 1 1 A 175 175 ILE CB C 181 39.573 38.701 0.872 1 1 1978 . 23 1 1 A 175 175 ILE N N 181 123.400 123.261 0.139 1 1 1979 . 23 1 1 A 176 176 GLU H H 182 8.492 8.673 -0.181 1 1 1980 . 23 1 1 A 176 176 GLU HA H 182 4.471 4.978 -0.507 1 1 1985 . 23 1 1 A 176 176 GLU C C 182 175.392 174.910 0.482 1 1 1986 . 23 1 1 A 176 176 GLU CA C 182 53.410 55.781 -2.371 1 1 1987 . 23 1 1 A 176 176 GLU CB C 182 35.479 32.709 2.770 1 1 1989 . 23 1 1 A 176 176 GLU N N 182 122.287 125.466 -3.179 1 1 1990 . 23 1 1 A 177 177 HIS H H 183 8.431 8.856 -0.425 1 1 1991 . 23 1 1 A 177 177 HIS HA H 183 3.975 4.747 -0.772 1 1 1996 . 23 1 1 A 177 177 HIS C C 183 176.008 174.664 1.344 1 1 1997 . 23 1 1 A 177 177 HIS CA C 183 57.533 55.724 1.809 1 1 1998 . 23 1 1 A 177 177 HIS CB C 183 27.362 31.859 -4.497 1 1 1999 . 23 1 1 A 177 177 HIS N N 183 109.605 124.314 -14.709 1 1 2000 . 23 1 1 A 178 178 LEU H H 184 9.603 7.766 1.837 1 1 2001 . 23 1 1 A 178 178 LEU HA H 184 4.276 4.219 0.057 1 1 2011 . 23 1 1 A 178 178 LEU C C 184 178.805 178.397 0.408 1 1 2012 . 23 1 1 A 178 178 LEU CA C 184 56.034 54.589 1.445 1 1 2013 . 23 1 1 A 178 178 LEU CB C 184 39.882 42.158 -2.276 1 1 2017 . 23 1 1 A 178 178 LEU N N 184 124.374 120.841 3.533 1 1 2018 . 23 1 1 A 179 179 LYS H H 185 10.002 8.539 1.463 1 1 2019 . 23 1 1 A 179 179 LYS HA H 185 3.682 3.951 -0.269 1 1 2028 . 23 1 1 A 179 179 LYS C C 185 177.660 176.560 1.100 1 1 2029 . 23 1 1 A 179 179 LYS CA C 185 57.721 59.541 -1.820 1 1 2030 . 23 1 1 A 179 179 LYS CB C 185 31.949 32.428 -0.479 1 1 2034 . 23 1 1 A 179 179 LYS N N 185 122.880 121.316 1.564 1 1 2035 . 23 1 1 A 180 180 SER H H 186 7.262 7.837 -0.575 1 1 2036 . 23 1 1 A 180 180 SER HA H 186 4.672 4.971 -0.299 1 1 2039 . 23 1 1 A 180 180 SER C C 186 173.086 173.616 -0.530 1 1 2040 . 23 1 1 A 180 180 SER CA C 186 54.576 55.200 -0.624 1 1 2041 . 23 1 1 A 180 180 SER CB C 186 62.715 65.418 -2.703 1 1 2042 . 23 1 1 A 180 180 SER N N 186 115.187 112.441 2.746 1 1 2043 . 23 1 1 A 181 181 PRO HA H 187 3.956 4.421 -0.465 1 1 2050 . 23 1 1 A 181 181 PRO CA C 187 65.359 64.717 0.642 1 1 2051 . 23 1 1 A 181 181 PRO CB C 187 32.061 32.092 -0.031 1 1 2054 . 23 1 1 A 182 182 GLU H H 188 8.076 8.428 -0.352 1 1 2055 . 23 1 1 A 182 182 GLU HA H 188 3.011 4.277 -1.266 1 1 2060 . 23 1 1 A 182 182 GLU C C 188 173.944 177.520 -3.576 1 1 2061 . 23 1 1 A 182 182 GLU CA C 188 56.597 57.452 -0.855 1 1 2062 . 23 1 1 A 182 182 GLU CB C 188 29.581 29.529 0.052 1 1 2064 . 23 1 1 A 182 182 GLU N N 188 113.034 117.868 -4.834 1 1 2065 . 23 1 1 A 183 183 LEU H H 189 7.126 7.686 -0.560 1 1 2066 . 23 1 1 A 183 183 LEU HA H 189 3.970 4.340 -0.370 1 1 2076 . 23 1 1 A 183 183 LEU C C 189 175.597 176.755 -1.158 1 1 2077 . 23 1 1 A 183 183 LEU CA C 189 53.849 54.347 -0.498 1 1 2078 . 23 1 1 A 183 183 LEU CB C 189 41.152 42.414 -1.262 1 1 2082 . 23 1 1 A 183 183 LEU N N 189 112.896 119.626 -6.730 1 1 2083 . 23 1 1 A 184 184 ASN H H 190 6.952 7.269 -0.317 1 1 2084 . 23 1 1 A 184 184 ASN HA H 190 4.596 4.912 -0.316 1 1 2089 . 23 1 1 A 184 184 ASN C C 190 175.694 175.098 0.596 1 1 2090 . 23 1 1 A 184 184 ASN CA C 190 53.200 52.025 1.175 1 1 2091 . 23 1 1 A 184 184 ASN CB C 190 36.466 39.542 -3.076 1 1 2092 . 23 1 1 A 184 184 ASN N N 190 117.865 117.591 0.274 1 1 2094 . 23 1 1 A 185 185 VAL H H 191 7.178 8.691 -1.513 1 1 2095 . 23 1 1 A 185 185 VAL HA H 191 4.480 4.638 -0.158 1 1 2103 . 23 1 1 A 185 185 VAL C C 191 174.874 173.937 0.937 1 1 2104 . 23 1 1 A 185 185 VAL CA C 191 59.753 60.775 -1.022 1 1 2105 . 23 1 1 A 185 185 VAL CB C 191 33.035 33.116 -0.081 1 1 2108 . 23 1 1 A 185 185 VAL N N 191 113.276 120.519 -7.243 1 1 2109 . 23 1 1 A 186 186 ASP H H 192 8.827 8.589 0.238 1 1 2110 . 23 1 1 A 186 186 ASP HA H 192 4.779 5.224 -0.445 1 1 2113 . 23 1 1 A 186 186 ASP C C 192 174.919 175.545 -0.626 1 1 2114 . 23 1 1 A 186 186 ASP CA C 192 54.058 52.602 1.456 1 1 2115 . 23 1 1 A 186 186 ASP CB C 192 41.635 44.056 -2.421 1 1 2116 . 23 1 1 A 186 186 ASP N N 192 118.111 123.628 -5.517 1 1 2117 . 23 1 1 A 187 187 LEU H H 193 8.375 8.260 0.115 1 1 2118 . 23 1 1 A 187 187 LEU HA H 193 4.146 4.496 -0.350 1 1 2127 . 23 1 1 A 187 187 LEU CA C 193 52.331 54.302 -1.971 1 1 2128 . 23 1 1 A 187 187 LEU CB C 193 38.187 42.009 -3.822 1 1 2131 . 23 1 1 A 187 187 LEU N N 193 123.130 123.757 -0.627 1 1 2132 . 23 1 1 A 188 188 ALA H H 194 8.225 8.767 -0.542 1 1 2133 . 23 1 1 A 188 188 ALA HA H 194 4.098 5.090 -0.992 1 1 2137 . 23 1 1 A 188 188 ALA C C 194 176.239 176.958 -0.719 1 1 2138 . 23 1 1 A 188 188 ALA CA C 194 52.498 50.207 2.291 1 1 2139 . 23 1 1 A 188 188 ALA CB C 194 20.030 21.486 -1.456 1 1 2140 . 23 1 1 A 188 188 ALA N N 194 126.289 121.818 4.471 1 1 2141 . 23 1 1 A 189 189 ALA H H 195 8.275 8.460 -0.185 1 1 2142 . 23 1 1 A 189 189 ALA HA H 195 4.862 4.182 0.680 1 1 2146 . 23 1 1 A 189 189 ALA C C 195 178.131 177.830 0.301 1 1 2147 . 23 1 1 A 189 189 ALA CA C 195 51.822 53.254 -1.432 1 1 2148 . 23 1 1 A 189 189 ALA CB C 195 17.367 19.073 -1.706 1 1 2149 . 23 1 1 A 189 189 ALA N N 195 122.010 125.975 -3.965 1 1 2150 . 23 1 1 A 190 190 ALA H H 196 8.823 8.774 0.049 1 1 2151 . 23 1 1 A 190 190 ALA HA H 196 4.634 5.280 -0.646 1 1 2155 . 23 1 1 A 190 190 ALA C C 196 175.141 177.007 -1.866 1 1 2156 . 23 1 1 A 190 190 ALA CA C 196 50.420 50.115 0.305 1 1 2157 . 23 1 1 A 190 190 ALA CB C 196 23.461 22.080 1.381 1 1 2158 . 23 1 1 A 190 190 ALA N N 196 126.018 126.215 -0.197 1 1 2159 . 23 1 1 A 191 191 ASP H H 197 8.365 8.796 -0.431 1 1 2160 . 23 1 1 A 191 191 ASP HA H 197 5.160 4.977 0.183 1 1 2163 . 23 1 1 A 191 191 ASP C C 197 176.028 175.897 0.131 1 1 2164 . 23 1 1 A 191 191 ASP CA C 197 54.034 52.044 1.990 1 1 2165 . 23 1 1 A 191 191 ASP CB C 197 41.691 42.172 -0.481 1 1 2166 . 23 1 1 A 191 191 ASP N N 197 118.646 118.663 -0.017 1 1 2167 . 23 1 1 A 192 192 ILE H H 198 7.915 8.228 -0.313 1 1 2168 . 23 1 1 A 192 192 ILE HA H 198 4.315 3.872 0.443 1 1 2178 . 23 1 1 A 192 192 ILE C C 198 174.684 176.008 -1.324 1 1 2179 . 23 1 1 A 192 192 ILE CA C 198 60.951 61.829 -0.878 1 1 2180 . 23 1 1 A 192 192 ILE CB C 198 41.989 37.936 4.053 1 1 2184 . 23 1 1 A 192 192 ILE N N 198 119.664 120.088 -0.424 1 1 2185 . 23 1 1 A 193 193 LYS H H 199 9.175 8.608 0.567 1 1 2186 . 23 1 1 A 193 193 LYS HA H 199 4.530 4.331 0.199 1 1 2195 . 23 1 1 A 193 193 LYS C C 199 172.639 175.383 -2.744 1 1 2196 . 23 1 1 A 193 193 LYS CA C 199 53.361 54.140 -0.779 1 1 2197 . 23 1 1 A 193 193 LYS CB C 199 34.758 32.930 1.828 1 1 2201 . 23 1 1 A 193 193 LYS N N 199 127.122 127.314 -0.192 1 1 2202 . 23 1 1 A 195 195 ASP H H 201 8.390 8.309 0.081 1 1 2203 . 23 1 1 A 195 195 ASP HA H 201 4.550 5.007 -0.457 1 1 2206 . 23 1 1 A 195 195 ASP C C 201 179.300 174.989 4.311 1 1 2207 . 23 1 1 A 195 195 ASP CA C 201 51.354 52.980 -1.626 1 1 2208 . 23 1 1 A 195 195 ASP CB C 201 40.324 45.044 -4.720 1 1 2209 . 23 1 1 A 195 195 ASP N N 201 123.239 122.522 0.717 1 1 2210 . 23 1 1 A 196 196 GLY HA2 H 202 3.718 3.803 -0.085 1 1 2211 . 23 1 1 A 196 196 GLY HA3 H 202 3.437 3.931 -0.494 1 1 2212 . 23 1 1 A 196 196 GLY CA C 202 46.527 44.261 2.266 1 1 2213 . 23 1 1 A 197 197 LYS H H 203 7.740 8.375 -0.635 1 1 2214 . 23 1 1 A 197 197 LYS HA H 203 4.118 4.629 -0.511 1 1 2221 . 23 1 1 A 197 197 LYS C C 203 174.941 176.630 -1.689 1 1 2222 . 23 1 1 A 197 197 LYS CA C 203 55.054 56.206 -1.152 1 1 2223 . 23 1 1 A 197 197 LYS CB C 203 31.192 34.372 -3.180 1 1 2226 . 23 1 1 A 197 197 LYS N N 203 120.305 118.312 1.993 1 1 2227 . 23 1 1 A 198 198 ARG H H 204 8.059 7.854 0.205 1 1 2228 . 23 1 1 A 198 198 ARG HA H 204 3.441 4.634 -1.193 1 1 2235 . 23 1 1 A 198 198 ARG C C 204 175.152 175.490 -0.338 1 1 2236 . 23 1 1 A 198 198 ARG CA C 204 56.911 56.468 0.443 1 1 2237 . 23 1 1 A 198 198 ARG CB C 204 26.584 32.908 -6.324 1 1 2240 . 23 1 1 A 198 198 ARG N N 204 111.796 120.042 -8.246 1 1 2241 . 23 1 1 A 199 199 HIS H H 205 8.531 7.530 1.001 1 1 2242 . 23 1 1 A 199 199 HIS HA H 205 4.812 4.924 -0.112 1 1 2247 . 23 1 1 A 199 199 HIS C C 205 174.866 173.028 1.838 1 1 2248 . 23 1 1 A 199 199 HIS CA C 205 53.700 54.614 -0.914 1 1 2249 . 23 1 1 A 199 199 HIS CB C 205 27.838 31.462 -3.624 1 1 2250 . 23 1 1 A 199 199 HIS N N 205 120.255 114.784 5.471 1 1 2251 . 23 1 1 A 200 200 ALA H H 206 8.492 8.897 -0.405 1 1 2252 . 23 1 1 A 200 200 ALA HA H 206 4.615 4.697 -0.082 1 1 2256 . 23 1 1 A 200 200 ALA C C 206 175.840 175.473 0.367 1 1 2257 . 23 1 1 A 200 200 ALA CA C 206 52.247 50.716 1.531 1 1 2258 . 23 1 1 A 200 200 ALA CB C 206 19.838 20.915 -1.077 1 1 2259 . 23 1 1 A 200 200 ALA N N 206 123.237 121.733 1.504 1 1 2260 . 23 1 1 A 201 201 VAL H H 207 9.174 8.354 0.820 1 1 2261 . 23 1 1 A 201 201 VAL HA H 207 4.976 4.751 0.225 1 1 2269 . 23 1 1 A 201 201 VAL C C 207 173.390 174.886 -1.496 1 1 2270 . 23 1 1 A 201 201 VAL CA C 207 60.775 60.396 0.379 1 1 2271 . 23 1 1 A 201 201 VAL CB C 207 35.488 35.868 -0.380 1 1 2274 . 23 1 1 A 201 201 VAL N N 207 123.250 115.785 7.465 1 1 2275 . 23 1 1 A 202 202 ILE H H 208 8.887 8.597 0.290 1 1 2276 . 23 1 1 A 202 202 ILE HA H 208 4.312 4.761 -0.449 1 1 2286 . 23 1 1 A 202 202 ILE C C 208 174.670 175.129 -0.459 1 1 2287 . 23 1 1 A 202 202 ILE CA C 208 60.815 59.850 0.965 1 1 2288 . 23 1 1 A 202 202 ILE CB C 208 41.576 39.883 1.693 1 1 2292 . 23 1 1 A 202 202 ILE N N 208 122.699 125.775 -3.076 1 1 2293 . 23 1 1 A 203 203 SER H H 209 8.416 8.560 -0.144 1 1 2294 . 23 1 1 A 203 203 SER HA H 209 4.913 5.253 -0.340 1 1 2297 . 23 1 1 A 203 203 SER C C 209 172.984 173.511 -0.527 1 1 2298 . 23 1 1 A 203 203 SER CA C 209 55.676 57.189 -1.513 1 1 2299 . 23 1 1 A 203 203 SER CB C 209 64.355 65.434 -1.079 1 1 2300 . 23 1 1 A 203 203 SER N N 209 122.067 124.643 -2.576 1 1 2301 . 23 1 1 A 204 204 GLY H H 210 7.292 8.827 -1.535 1 1 2302 . 23 1 1 A 204 204 GLY HA2 H 210 4.432 4.417 0.015 1 1 2303 . 23 1 1 A 204 204 GLY HA3 H 210 3.352 4.580 -1.228 1 1 2304 . 23 1 1 A 204 204 GLY C C 210 172.482 172.854 -0.372 1 1 2305 . 23 1 1 A 204 204 GLY CA C 210 45.167 45.713 -0.546 1 1 2306 . 23 1 1 A 204 204 GLY N N 210 110.488 112.821 -2.333 1 1 2307 . 23 1 1 A 205 205 SER H H 211 8.652 8.752 -0.100 1 1 2308 . 23 1 1 A 205 205 SER HA H 211 5.027 5.503 -0.476 1 1 2311 . 23 1 1 A 205 205 SER C C 211 172.852 173.614 -0.762 1 1 2312 . 23 1 1 A 205 205 SER CA C 211 58.806 55.851 2.955 1 1 2313 . 23 1 1 A 205 205 SER CB C 211 64.384 66.434 -2.050 1 1 2314 . 23 1 1 A 205 205 SER N N 211 116.497 114.027 2.470 1 1 2315 . 23 1 1 A 206 206 VAL H H 212 7.400 8.518 -1.118 1 1 2316 . 23 1 1 A 206 206 VAL HA H 212 5.032 4.574 0.458 1 1 2324 . 23 1 1 A 206 206 VAL C C 212 174.500 175.051 -0.551 1 1 2325 . 23 1 1 A 206 206 VAL CA C 212 58.764 60.795 -2.031 1 1 2326 . 23 1 1 A 206 206 VAL CB C 212 30.512 35.887 -5.375 1 1 2329 . 23 1 1 A 206 206 VAL N N 212 117.101 121.543 -4.442 1 1 2330 . 23 1 1 A 207 207 LEU H H 213 8.961 7.924 1.037 1 1 2331 . 23 1 1 A 207 207 LEU HA H 213 5.312 4.589 0.723 1 1 2341 . 23 1 1 A 207 207 LEU C C 213 175.520 175.727 -0.207 1 1 2342 . 23 1 1 A 207 207 LEU CA C 213 52.630 54.582 -1.952 1 1 2343 . 23 1 1 A 207 207 LEU CB C 213 45.567 42.600 2.967 1 1 2347 . 23 1 1 A 207 207 LEU N N 213 124.185 125.280 -1.095 1 1 2348 . 23 1 1 A 208 208 TYR H H 214 8.836 8.891 -0.055 1 1 2349 . 23 1 1 A 208 208 TYR HA H 214 4.766 4.869 -0.103 1 1 2356 . 23 1 1 A 208 208 TYR C C 214 175.964 174.677 1.287 1 1 2357 . 23 1 1 A 208 208 TYR CA C 214 56.943 57.670 -0.727 1 1 2358 . 23 1 1 A 208 208 TYR CB C 214 41.736 41.825 -0.089 1 1 2359 . 23 1 1 A 208 208 TYR N N 214 120.202 120.495 -0.293 1 1 2360 . 23 1 1 A 209 209 ASN H H 215 9.292 9.336 -0.044 1 1 2361 . 23 1 1 A 209 209 ASN HA H 215 4.001 4.264 -0.263 1 1 2366 . 23 1 1 A 209 209 ASN C C 215 174.336 174.292 0.044 1 1 2367 . 23 1 1 A 209 209 ASN CA C 215 53.923 54.129 -0.206 1 1 2368 . 23 1 1 A 209 209 ASN CB C 215 36.468 37.156 -0.688 1 1 2369 . 23 1 1 A 209 209 ASN N N 215 129.805 126.224 3.581 1 1 2371 . 23 1 1 A 210 210 GLN H H 216 8.614 8.472 0.142 1 1 2372 . 23 1 1 A 210 210 GLN HA H 216 3.453 3.787 -0.334 1 1 2379 . 23 1 1 A 210 210 GLN C C 216 173.521 174.774 -1.253 1 1 2380 . 23 1 1 A 210 210 GLN CA C 216 57.881 57.300 0.581 1 1 2381 . 23 1 1 A 210 210 GLN CB C 216 26.089 26.716 -0.627 1 1 2383 . 23 1 1 A 210 210 GLN N N 216 106.396 109.158 -2.762 1 1 2385 . 23 1 1 A 211 211 ALA H H 217 7.657 7.553 0.104 1 1 2386 . 23 1 1 A 211 211 ALA HA H 217 4.608 4.559 0.049 1 1 2390 . 23 1 1 A 211 211 ALA C C 217 176.432 176.722 -0.290 1 1 2391 . 23 1 1 A 211 211 ALA CA C 217 50.786 51.142 -0.356 1 1 2392 . 23 1 1 A 211 211 ALA CB C 217 20.499 20.834 -0.335 1 1 2393 . 23 1 1 A 211 211 ALA N N 217 123.338 118.524 4.814 1 1 2394 . 23 1 1 A 212 212 GLU H H 218 8.712 8.815 -0.103 1 1 2395 . 23 1 1 A 212 212 GLU HA H 218 4.525 4.214 0.311 1 1 2400 . 23 1 1 A 212 212 GLU C C 218 177.924 174.513 3.411 1 1 2401 . 23 1 1 A 212 212 GLU CA C 218 57.550 58.922 -1.372 1 1 2402 . 23 1 1 A 212 212 GLU CB C 218 28.811 28.862 -0.051 1 1 2404 . 23 1 1 A 212 212 GLU N N 218 122.631 116.556 6.075 1 1 2405 . 23 1 1 A 213 213 LYS H H 219 8.835 8.469 0.366 1 1 2406 . 23 1 1 A 213 213 LYS HA H 219 4.612 4.863 -0.251 1 1 2415 . 23 1 1 A 213 213 LYS C C 219 173.786 175.219 -1.433 1 1 2416 . 23 1 1 A 213 213 LYS CA C 219 53.115 55.485 -2.370 1 1 2417 . 23 1 1 A 213 213 LYS CB C 219 34.180 35.202 -1.022 1 1 2421 . 23 1 1 A 213 213 LYS N N 219 126.870 122.245 4.625 1 1 2422 . 23 1 1 A 214 214 GLY H H 220 7.929 9.354 -1.425 1 1 2423 . 23 1 1 A 214 214 GLY HA2 H 220 5.469 4.119 1.350 1 1 2424 . 23 1 1 A 214 214 GLY HA3 H 220 3.719 4.131 -0.412 1 1 2425 . 23 1 1 A 214 214 GLY C C 220 173.926 172.839 1.087 1 1 2426 . 23 1 1 A 214 214 GLY CA C 220 44.536 44.161 0.375 1 1 2427 . 23 1 1 A 214 214 GLY N N 220 107.019 114.469 -7.450 1 1 2428 . 23 1 1 A 215 215 SER H H 221 8.678 8.788 -0.110 1 1 2429 . 23 1 1 A 215 215 SER HA H 221 5.460 5.617 -0.157 1 1 2432 . 23 1 1 A 215 215 SER C C 221 171.043 173.296 -2.253 1 1 2433 . 23 1 1 A 215 215 SER CA C 221 56.810 57.036 -0.226 1 1 2434 . 23 1 1 A 215 215 SER CB C 221 66.671 66.568 0.103 1 1 2435 . 23 1 1 A 215 215 SER N N 221 117.334 113.598 3.736 1 1 2436 . 23 1 1 A 216 216 TYR H H 222 8.958 9.403 -0.445 1 1 2437 . 23 1 1 A 216 216 TYR HA H 222 5.389 5.655 -0.266 1 1 2445 . 23 1 1 A 216 216 TYR C C 222 172.789 173.801 -1.012 1 1 2446 . 23 1 1 A 216 216 TYR CA C 222 55.819 55.566 0.253 1 1 2447 . 23 1 1 A 216 216 TYR CB C 222 41.681 42.255 -0.574 1 1 2448 . 23 1 1 A 216 216 TYR N N 222 117.645 119.089 -1.444 1 1 2449 . 23 1 1 A 217 217 SER H H 223 8.837 9.017 -0.180 1 1 2450 . 23 1 1 A 217 217 SER HA H 223 5.165 5.155 0.010 1 1 2453 . 23 1 1 A 217 217 SER C C 223 173.125 172.784 0.341 1 1 2454 . 23 1 1 A 217 217 SER CA C 223 56.600 57.334 -0.734 1 1 2455 . 23 1 1 A 217 217 SER CB C 223 64.500 65.808 -1.308 1 1 2456 . 23 1 1 A 217 217 SER N N 223 115.593 115.953 -0.360 1 1 2457 . 23 1 1 A 218 218 LEU H H 224 9.299 8.571 0.728 1 1 2458 . 23 1 1 A 218 218 LEU HA H 224 4.748 5.010 -0.262 1 1 2468 . 23 1 1 A 218 218 LEU C C 224 175.567 175.897 -0.330 1 1 2469 . 23 1 1 A 218 218 LEU CA C 224 53.138 53.058 0.080 1 1 2470 . 23 1 1 A 218 218 LEU CB C 224 46.255 45.807 0.448 1 1 2474 . 23 1 1 A 218 218 LEU N N 224 123.523 125.570 -2.047 1 1 2475 . 23 1 1 A 219 219 GLY H H 225 9.041 9.032 0.009 1 1 2476 . 23 1 1 A 219 219 GLY HA2 H 225 4.620 3.892 0.728 1 1 2477 . 23 1 1 A 219 219 GLY HA3 H 225 3.413 4.052 -0.639 1 1 2478 . 23 1 1 A 219 219 GLY C C 225 171.514 171.504 0.010 1 1 2479 . 23 1 1 A 219 219 GLY CA C 225 43.777 43.537 0.240 1 1 2480 . 23 1 1 A 219 219 GLY N N 225 108.999 109.466 -0.467 1 1 2481 . 23 1 1 A 220 220 ILE H H 226 6.853 8.660 -1.807 1 1 2482 . 23 1 1 A 220 220 ILE HA H 226 4.615 4.458 0.157 1 1 2492 . 23 1 1 A 220 220 ILE C C 226 174.750 175.086 -0.336 1 1 2493 . 23 1 1 A 220 220 ILE CA C 226 60.421 60.416 0.005 1 1 2494 . 23 1 1 A 220 220 ILE CB C 226 38.213 38.174 0.039 1 1 2498 . 23 1 1 A 220 220 ILE N N 226 120.223 122.306 -2.083 1 1 2499 . 23 1 1 A 221 221 PHE H H 227 9.392 8.944 0.448 1 1 2500 . 23 1 1 A 221 221 PHE HA H 227 4.770 5.145 -0.375 1 1 2507 . 23 1 1 A 221 221 PHE C C 227 175.093 175.844 -0.751 1 1 2508 . 23 1 1 A 221 221 PHE CA C 227 58.053 56.434 1.619 1 1 2509 . 23 1 1 A 221 221 PHE CB C 227 42.505 41.944 0.561 1 1 2510 . 23 1 1 A 221 221 PHE N N 227 128.229 126.598 1.631 1 1 2511 . 23 1 1 A 222 222 GLY H H 228 8.675 8.800 -0.125 1 1 2512 . 23 1 1 A 222 222 GLY HA2 H 228 3.174 4.112 -0.938 1 1 2513 . 23 1 1 A 222 222 GLY HA3 H 228 4.311 4.116 0.195 1 1 2514 . 23 1 1 A 222 222 GLY CA C 228 42.438 44.706 -2.268 1 1 2515 . 23 1 1 A 222 222 GLY N N 228 104.634 111.436 -6.802 1 1 2516 . 23 1 1 A 223 223 GLY CA C 229 46.870 46.171 0.699 1 1 2517 . 23 1 1 A 224 224 LYS H H 230 8.366 7.634 0.732 1 1 2518 . 23 1 1 A 224 224 LYS HA H 230 4.305 4.617 -0.312 1 1 2523 . 23 1 1 A 224 224 LYS C C 230 174.717 175.478 -0.761 1 1 2524 . 23 1 1 A 224 224 LYS CA C 230 54.119 55.045 -0.926 1 1 2525 . 23 1 1 A 224 224 LYS CB C 230 30.821 32.821 -2.000 1 1 2527 . 23 1 1 A 224 224 LYS N N 230 118.720 118.046 0.674 1 1 2528 . 23 1 1 A 225 225 ALA H H 231 7.633 8.184 -0.551 1 1 2529 . 23 1 1 A 225 225 ALA HA H 231 3.810 4.159 -0.349 1 1 2533 . 23 1 1 A 225 225 ALA C C 231 176.702 177.458 -0.756 1 1 2534 . 23 1 1 A 225 225 ALA CA C 231 51.868 53.204 -1.336 1 1 2535 . 23 1 1 A 225 225 ALA CB C 231 16.117 17.360 -1.243 1 1 2536 . 23 1 1 A 225 225 ALA N N 231 118.077 119.379 -1.302 1 1 2537 . 23 1 1 A 226 226 GLN H H 232 9.387 7.884 1.503 1 1 2538 . 23 1 1 A 226 226 GLN HA H 232 3.877 4.242 -0.365 1 1 2543 . 23 1 1 A 226 226 GLN C C 232 175.992 175.779 0.213 1 1 2544 . 23 1 1 A 226 226 GLN CA C 232 60.989 58.064 2.925 1 1 2545 . 23 1 1 A 226 226 GLN CB C 232 28.695 29.781 -1.086 1 1 2547 . 23 1 1 A 226 226 GLN N N 232 117.991 118.179 -0.188 1 1 2548 . 23 1 1 A 227 227 GLU H H 233 8.825 7.507 1.318 1 1 2549 . 23 1 1 A 227 227 GLU HA H 233 5.411 4.953 0.458 1 1 2554 . 23 1 1 A 227 227 GLU C C 233 174.939 174.057 0.882 1 1 2555 . 23 1 1 A 227 227 GLU CA C 233 54.289 55.630 -1.341 1 1 2556 . 23 1 1 A 227 227 GLU CB C 233 33.797 33.104 0.693 1 1 2558 . 23 1 1 A 227 227 GLU N N 233 116.638 115.205 1.433 1 1 2559 . 23 1 1 A 228 228 VAL H H 234 8.343 8.808 -0.465 1 1 2560 . 23 1 1 A 228 228 VAL HA H 234 5.544 5.095 0.449 1 1 2568 . 23 1 1 A 228 228 VAL C C 234 174.839 174.711 0.128 1 1 2569 . 23 1 1 A 228 228 VAL CA C 234 57.867 60.316 -2.449 1 1 2570 . 23 1 1 A 228 228 VAL CB C 234 35.379 35.144 0.235 1 1 2573 . 23 1 1 A 228 228 VAL N N 234 109.304 117.506 -8.202 1 1 2574 . 23 1 1 A 229 229 ALA H H 235 8.475 8.370 0.105 1 1 2575 . 23 1 1 A 229 229 ALA HA H 235 4.937 4.830 0.107 1 1 2579 . 23 1 1 A 229 229 ALA C C 235 176.417 175.937 0.480 1 1 2580 . 23 1 1 A 229 229 ALA CA C 235 51.303 51.531 -0.228 1 1 2581 . 23 1 1 A 229 229 ALA CB C 235 20.301 22.985 -2.684 1 1 2582 . 23 1 1 A 229 229 ALA N N 235 120.653 124.186 -3.533 1 1 2583 . 23 1 1 A 230 230 GLY H H 236 9.361 8.279 1.082 1 1 2584 . 23 1 1 A 230 230 GLY HA2 H 236 5.075 4.242 0.833 1 1 2585 . 23 1 1 A 230 230 GLY HA3 H 236 4.017 4.308 -0.291 1 1 2586 . 23 1 1 A 230 230 GLY C C 236 170.130 171.856 -1.726 1 1 2587 . 23 1 1 A 230 230 GLY CA C 236 46.221 45.671 0.550 1 1 2588 . 23 1 1 A 230 230 GLY N N 236 111.104 106.214 4.890 1 1 2589 . 23 1 1 A 231 231 SER H H 237 8.889 8.473 0.416 1 1 2590 . 23 1 1 A 231 231 SER HA H 237 5.276 5.271 0.005 1 1 2593 . 23 1 1 A 231 231 SER C C 237 171.360 172.512 -1.152 1 1 2594 . 23 1 1 A 231 231 SER CA C 237 56.498 57.504 -1.006 1 1 2595 . 23 1 1 A 231 231 SER CB C 237 66.398 65.930 0.468 1 1 2596 . 23 1 1 A 231 231 SER N N 237 115.308 115.498 -0.190 1 1 2597 . 23 1 1 A 232 232 ALA H H 238 9.083 9.029 0.054 1 1 2598 . 23 1 1 A 232 232 ALA HA H 238 5.148 5.507 -0.359 1 1 2602 . 23 1 1 A 232 232 ALA C C 238 174.537 174.976 -0.439 1 1 2603 . 23 1 1 A 232 232 ALA CA C 238 49.904 50.468 -0.564 1 1 2604 . 23 1 1 A 232 232 ALA CB C 238 21.729 23.161 -1.432 1 1 2605 . 23 1 1 A 232 232 ALA N N 238 119.911 123.777 -3.866 1 1 2606 . 23 1 1 A 233 233 GLU H H 239 9.015 9.077 -0.062 1 1 2607 . 23 1 1 A 233 233 GLU HA H 239 4.631 4.774 -0.143 1 1 2612 . 23 1 1 A 233 233 GLU C C 239 174.122 174.173 -0.051 1 1 2613 . 23 1 1 A 233 233 GLU CA C 239 54.786 54.543 0.243 1 1 2614 . 23 1 1 A 233 233 GLU CB C 239 31.355 33.001 -1.646 1 1 2616 . 23 1 1 A 233 233 GLU N N 239 122.744 122.128 0.616 1 1 2617 . 23 1 1 A 234 234 VAL H H 240 8.792 8.770 0.022 1 1 2618 . 23 1 1 A 234 234 VAL HA H 240 4.394 4.709 -0.315 1 1 2623 . 23 1 1 A 234 234 VAL C C 240 174.833 173.693 1.140 1 1 2624 . 23 1 1 A 234 234 VAL CA C 240 61.427 59.525 1.902 1 1 2625 . 23 1 1 A 234 234 VAL CB C 240 33.863 35.410 -1.547 1 1 2627 . 23 1 1 A 234 234 VAL N N 240 124.203 122.442 1.761 1 1 2628 . 23 1 1 A 235 235 LYS H H 241 8.841 7.925 0.916 1 1 2629 . 23 1 1 A 235 235 LYS HA H 241 3.981 4.640 -0.659 1 1 2638 . 23 1 1 A 235 235 LYS C C 241 174.548 175.809 -1.261 1 1 2639 . 23 1 1 A 235 235 LYS CA C 241 55.955 55.654 0.301 1 1 2640 . 23 1 1 A 235 235 LYS CB C 241 32.100 32.161 -0.061 1 1 2644 . 23 1 1 A 235 235 LYS N N 241 127.554 125.714 1.840 1 1 2645 . 23 1 1 A 236 236 THR H H 242 7.212 8.205 -0.993 1 1 2646 . 23 1 1 A 236 236 THR HA H 242 4.355 4.414 -0.059 1 1 2651 . 23 1 1 A 236 236 THR C C 242 176.482 176.249 0.233 1 1 2652 . 23 1 1 A 236 236 THR CA C 242 61.054 62.542 -1.488 1 1 2653 . 23 1 1 A 236 236 THR CB C 242 72.642 69.735 2.907 1 1 2655 . 23 1 1 A 236 236 THR N N 242 114.463 120.202 -5.739 1 1 2656 . 23 1 1 A 237 237 VAL H H 243 9.582 9.128 0.454 1 1 2657 . 23 1 1 A 237 237 VAL HA H 243 3.849 3.808 0.041 1 1 2665 . 23 1 1 A 237 237 VAL C C 243 176.201 177.274 -1.073 1 1 2666 . 23 1 1 A 237 237 VAL CA C 243 64.701 65.147 -0.446 1 1 2667 . 23 1 1 A 237 237 VAL CB C 243 31.028 31.238 -0.210 1 1 2669 . 23 1 1 A 237 237 VAL N N 243 120.670 123.918 -3.248 1 1 2670 . 23 1 1 A 238 238 ASN H H 244 7.572 7.926 -0.354 1 1 2671 . 23 1 1 A 238 238 ASN HA H 244 4.882 4.667 0.215 1 1 2676 . 23 1 1 A 238 238 ASN C C 244 173.835 175.526 -1.691 1 1 2677 . 23 1 1 A 238 238 ASN CA C 244 52.022 53.138 -1.116 1 1 2678 . 23 1 1 A 238 238 ASN CB C 244 39.176 38.601 0.575 1 1 2679 . 23 1 1 A 238 238 ASN N N 244 115.638 119.039 -3.401 1 1 2681 . 23 1 1 A 239 239 GLY H H 245 7.362 8.723 -1.361 1 1 2682 . 23 1 1 A 239 239 GLY HA2 H 245 4.539 4.010 0.529 1 1 2683 . 23 1 1 A 239 239 GLY HA3 H 245 3.728 4.019 -0.291 1 1 2684 . 23 1 1 A 239 239 GLY C C 245 174.343 173.267 1.076 1 1 2685 . 23 1 1 A 239 239 GLY CA C 245 43.316 45.563 -2.247 1 1 2686 . 23 1 1 A 239 239 GLY N N 245 107.650 105.792 1.858 1 1 2687 . 23 1 1 A 240 240 ILE H H 246 8.672 7.997 0.675 1 1 2688 . 23 1 1 A 240 240 ILE HA H 246 4.351 4.966 -0.615 1 1 2698 . 23 1 1 A 240 240 ILE C C 246 176.899 173.246 3.653 1 1 2699 . 23 1 1 A 240 240 ILE CA C 246 61.120 59.227 1.893 1 1 2700 . 23 1 1 A 240 240 ILE CB C 246 36.906 41.849 -4.943 1 1 2704 . 23 1 1 A 240 240 ILE N N 246 122.673 121.638 1.035 1 1 2705 . 23 1 1 A 241 241 ARG H H 247 9.233 8.592 0.641 1 1 2706 . 23 1 1 A 241 241 ARG HA H 247 4.370 5.078 -0.708 1 1 2713 . 23 1 1 A 241 241 ARG C C 247 173.925 175.237 -1.312 1 1 2714 . 23 1 1 A 241 241 ARG CA C 247 53.461 53.953 -0.492 1 1 2715 . 23 1 1 A 241 241 ARG CB C 247 31.910 34.852 -2.942 1 1 2718 . 23 1 1 A 241 241 ARG N N 247 128.497 126.782 1.715 1 1 2719 . 23 1 1 A 242 242 HIS H H 248 8.519 8.691 -0.172 1 1 2720 . 23 1 1 A 242 242 HIS HA H 248 5.323 5.416 -0.093 1 1 2725 . 23 1 1 A 242 242 HIS C C 248 174.635 174.774 -0.139 1 1 2726 . 23 1 1 A 242 242 HIS CA C 248 55.759 54.664 1.095 1 1 2727 . 23 1 1 A 242 242 HIS CB C 248 32.921 34.251 -1.330 1 1 2728 . 23 1 1 A 242 242 HIS N N 248 121.131 116.736 4.395 1 1 2729 . 23 1 1 A 243 243 ILE H H 249 8.723 8.974 -0.251 1 1 2730 . 23 1 1 A 243 243 ILE HA H 249 4.522 4.881 -0.359 1 1 2740 . 23 1 1 A 243 243 ILE C C 249 176.188 175.267 0.921 1 1 2741 . 23 1 1 A 243 243 ILE CA C 249 58.524 59.841 -1.317 1 1 2742 . 23 1 1 A 243 243 ILE CB C 249 41.977 42.230 -0.253 1 1 2746 . 23 1 1 A 243 243 ILE N N 249 119.438 120.637 -1.199 1 1 2747 . 23 1 1 A 244 244 GLY H H 250 9.351 9.007 0.344 1 1 2748 . 23 1 1 A 244 244 GLY HA2 H 250 3.707 3.188 0.519 1 1 2749 . 23 1 1 A 244 244 GLY HA3 H 250 2.119 4.010 -1.891 1 1 2750 . 23 1 1 A 244 244 GLY C C 250 170.981 171.880 -0.899 1 1 2751 . 23 1 1 A 244 244 GLY CA C 250 44.178 43.760 0.418 1 1 2752 . 23 1 1 A 244 244 GLY N N 250 113.700 114.130 -0.430 1 1 2753 . 23 1 1 A 245 245 LEU H H 251 7.833 8.150 -0.317 1 1 2754 . 23 1 1 A 245 245 LEU HA H 251 4.717 5.136 -0.419 1 1 2764 . 23 1 1 A 245 245 LEU C C 251 174.501 176.134 -1.633 1 1 2765 . 23 1 1 A 245 245 LEU CA C 251 52.508 53.639 -1.131 1 1 2766 . 23 1 1 A 245 245 LEU CB C 251 46.764 44.032 2.732 1 1 2770 . 23 1 1 A 245 245 LEU N N 251 120.798 123.766 -2.968 1 1 2771 . 23 1 1 A 246 246 ALA H H 252 7.906 8.329 -0.423 1 1 2772 . 23 1 1 A 246 246 ALA HA H 252 4.589 4.761 -0.172 1 1 2776 . 23 1 1 A 246 246 ALA C C 252 173.363 175.838 -2.475 1 1 2777 . 23 1 1 A 246 246 ALA CA C 252 51.546 51.355 0.191 1 1 2778 . 23 1 1 A 246 246 ALA CB C 252 21.524 19.195 2.329 1 1 2779 . 23 1 1 A 246 246 ALA N N 252 122.885 125.098 -2.213 1 1 2780 . 23 1 1 A 247 247 ALA H H 253 9.041 8.644 0.397 1 1 2781 . 23 1 1 A 247 247 ALA HA H 253 4.726 5.447 -0.721 1 1 2785 . 23 1 1 A 247 247 ALA C C 253 174.897 175.730 -0.833 1 1 2786 . 23 1 1 A 247 247 ALA CA C 253 51.723 50.505 1.218 1 1 2787 . 23 1 1 A 247 247 ALA CB C 253 22.967 23.305 -0.338 1 1 2788 . 23 1 1 A 247 247 ALA N N 253 122.967 125.180 -2.213 1 1 2789 . 23 1 1 A 248 248 LYS H H 254 8.171 8.752 -0.581 1 1 2790 . 23 1 1 A 248 248 LYS HA H 254 5.731 5.074 0.657 1 1 2797 . 23 1 1 A 248 248 LYS C C 254 175.094 175.094 0.000 1 1 2798 . 23 1 1 A 248 248 LYS CA C 254 53.866 55.017 -1.151 1 1 2799 . 23 1 1 A 248 248 LYS CB C 254 36.312 36.226 0.086 1 1 2802 . 23 1 1 A 248 248 LYS N N 254 115.734 121.976 -6.242 1 1 60 . 24 1 1 A 9 9 GLY H H 15 8.346 8.576 -0.230 1 1 61 . 24 1 1 A 9 9 GLY HA2 H 15 4.021 3.885 0.136 1 1 62 . 24 1 1 A 9 9 GLY HA3 H 15 3.772 3.886 -0.114 1 1 63 . 24 1 1 A 9 9 GLY C C 15 174.259 175.373 -1.114 1 1 64 . 24 1 1 A 9 9 GLY CA C 15 45.581 46.360 -0.779 1 1 65 . 24 1 1 A 9 9 GLY N N 15 107.368 110.824 -3.456 1 1 66 . 24 1 1 A 10 10 LEU H H 16 7.224 7.926 -0.702 1 1 67 . 24 1 1 A 10 10 LEU HA H 16 3.736 4.023 -0.287 1 1 77 . 24 1 1 A 10 10 LEU C C 16 178.202 178.376 -0.174 1 1 78 . 24 1 1 A 10 10 LEU CA C 16 57.915 57.942 -0.027 1 1 79 . 24 1 1 A 10 10 LEU CB C 16 40.686 41.247 -0.561 1 1 83 . 24 1 1 A 10 10 LEU N N 16 117.616 118.137 -0.521 1 1 84 . 24 1 1 A 11 11 ALA H H 17 7.860 8.205 -0.345 1 1 85 . 24 1 1 A 11 11 ALA HA H 17 3.937 3.994 -0.057 1 1 89 . 24 1 1 A 11 11 ALA C C 17 181.090 178.778 2.312 1 1 90 . 24 1 1 A 11 11 ALA CA C 17 54.860 55.765 -0.905 1 1 91 . 24 1 1 A 11 11 ALA CB C 17 17.248 18.337 -1.089 1 1 92 . 24 1 1 A 11 11 ALA N N 17 117.757 123.098 -5.341 1 1 93 . 24 1 1 A 12 12 ASP H H 18 8.017 8.175 -0.158 1 1 94 . 24 1 1 A 12 12 ASP HA H 18 4.223 4.340 -0.117 1 1 97 . 24 1 1 A 12 12 ASP C C 18 177.941 178.155 -0.214 1 1 98 . 24 1 1 A 12 12 ASP CA C 18 56.341 57.407 -1.066 1 1 99 . 24 1 1 A 12 12 ASP CB C 18 39.312 41.632 -2.320 1 1 100 . 24 1 1 A 12 12 ASP N N 18 118.410 118.222 0.188 1 1 101 . 24 1 1 A 13 13 ALA H H 19 8.205 7.800 0.405 1 1 102 . 24 1 1 A 13 13 ALA HA H 19 3.952 4.225 -0.273 1 1 106 . 24 1 1 A 13 13 ALA C C 19 178.856 178.407 0.449 1 1 107 . 24 1 1 A 13 13 ALA CA C 19 55.039 53.969 1.070 1 1 108 . 24 1 1 A 13 13 ALA CB C 19 17.779 18.413 -0.634 1 1 109 . 24 1 1 A 13 13 ALA N N 19 121.480 121.123 0.357 1 1 110 . 24 1 1 A 14 14 LEU H H 20 7.217 7.505 -0.288 1 1 111 . 24 1 1 A 14 14 LEU HA H 20 4.258 4.212 0.046 1 1 121 . 24 1 1 A 14 14 LEU C C 20 177.544 178.825 -1.281 1 1 122 . 24 1 1 A 14 14 LEU CA C 20 55.511 56.845 -1.334 1 1 123 . 24 1 1 A 14 14 LEU CB C 20 42.176 42.890 -0.714 1 1 126 . 24 1 1 A 14 14 LEU N N 20 113.410 116.849 -3.439 1 1 127 . 24 1 1 A 15 15 THR H H 21 7.624 7.186 0.438 1 1 128 . 24 1 1 A 15 15 THR HA H 21 4.394 4.276 0.118 1 1 133 . 24 1 1 A 15 15 THR C C 21 174.959 175.030 -0.071 1 1 134 . 24 1 1 A 15 15 THR CA C 21 61.733 63.981 -2.248 1 1 135 . 24 1 1 A 15 15 THR CB C 21 71.514 69.074 2.440 1 1 137 . 24 1 1 A 15 15 THR N N 21 106.072 108.554 -2.482 1 1 138 . 24 1 1 A 16 16 ALA H H 22 8.932 8.188 0.744 1 1 139 . 24 1 1 A 16 16 ALA HA H 22 4.624 4.731 -0.107 1 1 143 . 24 1 1 A 16 16 ALA C C 22 175.978 175.610 0.368 1 1 144 . 24 1 1 A 16 16 ALA CA C 22 50.681 49.668 1.013 1 1 145 . 24 1 1 A 16 16 ALA CB C 22 18.728 21.306 -2.578 1 1 146 . 24 1 1 A 16 16 ALA N N 22 127.789 123.114 4.675 1 1 147 . 24 1 1 A 17 17 PRO HA H 23 4.430 4.606 -0.176 1 1 154 . 24 1 1 A 17 17 PRO CA C 23 61.497 62.603 -1.106 1 1 155 . 24 1 1 A 17 17 PRO CB C 23 31.775 33.049 -1.274 1 1 158 . 24 1 1 A 18 18 LEU H H 24 8.154 8.367 -0.213 1 1 159 . 24 1 1 A 18 18 LEU HA H 24 3.894 4.452 -0.558 1 1 169 . 24 1 1 A 18 18 LEU C C 24 176.447 175.714 0.733 1 1 170 . 24 1 1 A 18 18 LEU CA C 24 55.510 55.634 -0.124 1 1 171 . 24 1 1 A 18 18 LEU CB C 24 40.921 42.807 -1.886 1 1 175 . 24 1 1 A 18 18 LEU N N 24 121.010 121.247 -0.237 1 1 176 . 24 1 1 A 19 19 ASP H H 25 8.758 8.209 0.549 1 1 177 . 24 1 1 A 19 19 ASP HA H 25 4.626 4.828 -0.202 1 1 180 . 24 1 1 A 19 19 ASP C C 25 176.425 175.961 0.464 1 1 181 . 24 1 1 A 19 19 ASP CA C 25 52.688 54.431 -1.743 1 1 182 . 24 1 1 A 19 19 ASP CB C 25 42.819 41.145 1.674 1 1 183 . 24 1 1 A 19 19 ASP N N 25 124.654 121.463 3.191 1 1 184 . 24 1 1 A 20 20 HIS HA H 26 4.272 5.053 -0.781 1 1 189 . 24 1 1 A 20 20 HIS CA C 26 58.100 54.090 4.010 1 1 190 . 24 1 1 A 20 20 HIS CB C 26 29.200 29.765 -0.565 1 1 191 . 24 1 1 A 21 21 LYS H H 27 8.348 8.533 -0.185 1 1 192 . 24 1 1 A 21 21 LYS HA H 27 3.970 4.337 -0.367 1 1 201 . 24 1 1 A 21 21 LYS C C 27 177.393 175.713 1.680 1 1 202 . 24 1 1 A 21 21 LYS CA C 27 56.320 55.849 0.471 1 1 203 . 24 1 1 A 21 21 LYS CB C 27 30.950 33.930 -2.980 1 1 206 . 24 1 1 A 21 21 LYS N N 27 118.419 121.520 -3.101 1 1 207 . 24 1 1 A 22 22 ASP H H 28 7.451 8.207 -0.756 1 1 208 . 24 1 1 A 22 22 ASP HA H 28 4.307 4.532 -0.225 1 1 211 . 24 1 1 A 22 22 ASP C C 28 176.212 176.227 -0.015 1 1 212 . 24 1 1 A 22 22 ASP CA C 28 54.164 55.428 -1.264 1 1 213 . 24 1 1 A 22 22 ASP CB C 28 40.091 40.519 -0.428 1 1 214 . 24 1 1 A 22 22 ASP N N 28 120.045 120.243 -0.198 1 1 215 . 24 1 1 A 23 23 LYS H H 29 8.416 8.900 -0.484 1 1 216 . 24 1 1 A 23 23 LYS HA H 29 3.962 3.886 0.076 1 1 225 . 24 1 1 A 23 23 LYS C C 29 177.409 175.704 1.705 1 1 226 . 24 1 1 A 23 23 LYS CA C 29 56.254 57.362 -1.108 1 1 227 . 24 1 1 A 23 23 LYS CB C 29 31.950 30.247 1.703 1 1 231 . 24 1 1 A 23 23 LYS N N 29 121.925 118.776 3.149 1 1 232 . 24 1 1 A 24 24 GLY H H 30 8.612 7.626 0.986 1 1 233 . 24 1 1 A 24 24 GLY HA2 H 30 3.655 4.075 -0.420 1 1 234 . 24 1 1 A 24 24 GLY HA3 H 30 3.519 4.076 -0.557 1 1 235 . 24 1 1 A 24 24 GLY CA C 30 44.788 45.733 -0.945 1 1 236 . 24 1 1 A 24 24 GLY N N 30 111.487 107.493 3.994 1 1 237 . 24 1 1 A 25 25 LEU H H 31 8.054 8.286 -0.232 1 1 238 . 24 1 1 A 25 25 LEU HA H 31 3.770 4.338 -0.568 1 1 248 . 24 1 1 A 25 25 LEU CA C 31 55.906 54.221 1.685 1 1 249 . 24 1 1 A 25 25 LEU CB C 31 44.428 41.493 2.935 1 1 253 . 24 1 1 A 25 25 LEU N N 31 127.196 123.019 4.177 1 1 254 . 24 1 1 A 26 26 GLN H H 32 9.184 8.489 0.695 1 1 255 . 24 1 1 A 26 26 GLN HA H 32 3.437 4.536 -1.099 1 1 262 . 24 1 1 A 26 26 GLN C C 32 174.347 175.515 -1.168 1 1 263 . 24 1 1 A 26 26 GLN CA C 32 57.926 56.609 1.317 1 1 264 . 24 1 1 A 26 26 GLN CB C 32 27.721 30.458 -2.737 1 1 266 . 24 1 1 A 26 26 GLN N N 32 131.782 127.112 4.670 1 1 268 . 24 1 1 A 27 27 SER H H 33 7.240 7.770 -0.530 1 1 269 . 24 1 1 A 27 27 SER HA H 33 4.981 4.934 0.047 1 1 272 . 24 1 1 A 27 27 SER C C 33 171.111 172.497 -1.386 1 1 273 . 24 1 1 A 27 27 SER CA C 33 56.782 57.469 -0.687 1 1 274 . 24 1 1 A 27 27 SER CB C 33 64.611 65.859 -1.248 1 1 275 . 24 1 1 A 27 27 SER N N 33 108.936 111.857 -2.921 1 1 276 . 24 1 1 A 28 28 LEU H H 34 8.010 9.190 -1.180 1 1 277 . 24 1 1 A 28 28 LEU HA H 34 4.372 5.077 -0.705 1 1 287 . 24 1 1 A 28 28 LEU C C 34 174.697 175.907 -1.210 1 1 288 . 24 1 1 A 28 28 LEU CA C 34 53.332 53.359 -0.027 1 1 289 . 24 1 1 A 28 28 LEU CB C 34 45.636 45.365 0.271 1 1 293 . 24 1 1 A 28 28 LEU N N 34 121.826 120.736 1.090 1 1 294 . 24 1 1 A 29 29 THR H H 35 8.810 8.894 -0.084 1 1 295 . 24 1 1 A 29 29 THR HA H 35 4.046 4.224 -0.178 1 1 300 . 24 1 1 A 29 29 THR C C 35 172.792 174.360 -1.568 1 1 301 . 24 1 1 A 29 29 THR CA C 35 62.565 63.643 -1.078 1 1 302 . 24 1 1 A 29 29 THR CB C 35 68.233 69.124 -0.891 1 1 304 . 24 1 1 A 29 29 THR N N 35 123.892 121.274 2.618 1 1 305 . 24 1 1 A 30 30 LEU H H 36 8.662 8.597 0.065 1 1 306 . 24 1 1 A 30 30 LEU HA H 36 4.150 4.831 -0.681 1 1 316 . 24 1 1 A 30 30 LEU C C 36 174.707 176.050 -1.343 1 1 317 . 24 1 1 A 30 30 LEU CA C 36 53.789 54.111 -0.322 1 1 318 . 24 1 1 A 30 30 LEU CB C 36 40.562 42.581 -2.019 1 1 322 . 24 1 1 A 30 30 LEU N N 36 128.365 127.042 1.323 1 1 323 . 24 1 1 A 31 31 ASP H H 37 8.500 8.791 -0.291 1 1 324 . 24 1 1 A 31 31 ASP HA H 37 4.837 4.792 0.045 1 1 327 . 24 1 1 A 31 31 ASP CA C 37 54.657 55.552 -0.895 1 1 328 . 24 1 1 A 31 31 ASP CB C 37 43.089 41.546 1.543 1 1 329 . 24 1 1 A 31 31 ASP N N 37 123.194 125.161 -1.967 1 1 330 . 24 1 1 A 32 32 GLN H H 38 10.453 8.134 2.319 1 1 331 . 24 1 1 A 32 32 GLN HA H 38 3.808 4.378 -0.570 1 1 338 . 24 1 1 A 32 32 GLN C C 38 178.535 178.036 0.499 1 1 339 . 24 1 1 A 32 32 GLN CA C 38 56.284 57.909 -1.625 1 1 340 . 24 1 1 A 32 32 GLN CB C 38 28.175 29.630 -1.455 1 1 342 . 24 1 1 A 32 32 GLN N N 38 120.692 117.481 3.211 1 1 344 . 24 1 1 A 33 33 SER H H 39 8.523 8.088 0.435 1 1 345 . 24 1 1 A 33 33 SER HA H 39 4.081 4.196 -0.115 1 1 348 . 24 1 1 A 33 33 SER C C 39 171.792 173.734 -1.942 1 1 349 . 24 1 1 A 33 33 SER CA C 39 61.436 61.137 0.299 1 1 350 . 24 1 1 A 33 33 SER CB C 39 63.008 63.517 -0.509 1 1 351 . 24 1 1 A 33 33 SER N N 39 111.712 114.456 -2.744 1 1 352 . 24 1 1 A 34 34 VAL H H 40 6.691 7.635 -0.944 1 1 353 . 24 1 1 A 34 34 VAL HA H 40 3.890 4.637 -0.747 1 1 361 . 24 1 1 A 34 34 VAL C C 40 172.251 172.992 -0.741 1 1 362 . 24 1 1 A 34 34 VAL CA C 40 60.415 59.921 0.494 1 1 363 . 24 1 1 A 34 34 VAL CB C 40 32.306 35.562 -3.256 1 1 366 . 24 1 1 A 34 34 VAL N N 40 115.971 118.335 -2.364 1 1 367 . 24 1 1 A 35 35 ARG H H 41 8.184 8.681 -0.497 1 1 368 . 24 1 1 A 35 35 ARG HA H 41 4.176 4.400 -0.224 1 1 375 . 24 1 1 A 35 35 ARG C C 41 176.886 177.505 -0.619 1 1 376 . 24 1 1 A 35 35 ARG CA C 41 55.599 55.710 -0.111 1 1 377 . 24 1 1 A 35 35 ARG CB C 41 30.569 31.551 -0.982 1 1 380 . 24 1 1 A 35 35 ARG N N 41 125.397 128.210 -2.813 1 1 381 . 24 1 1 A 36 36 LYS H H 42 8.493 8.720 -0.227 1 1 382 . 24 1 1 A 36 36 LYS HA H 42 3.778 4.421 -0.643 1 1 391 . 24 1 1 A 36 36 LYS C C 42 176.596 176.946 -0.350 1 1 392 . 24 1 1 A 36 36 LYS CA C 42 58.687 57.805 0.882 1 1 393 . 24 1 1 A 36 36 LYS CB C 42 31.959 32.050 -0.091 1 1 397 . 24 1 1 A 36 36 LYS N N 42 119.360 125.038 -5.678 1 1 398 . 24 1 1 A 37 37 ASN H H 43 8.513 8.192 0.321 1 1 399 . 24 1 1 A 37 37 ASN HA H 43 4.438 4.847 -0.409 1 1 404 . 24 1 1 A 37 37 ASN C C 43 173.867 175.049 -1.182 1 1 405 . 24 1 1 A 37 37 ASN CA C 43 55.127 53.299 1.828 1 1 406 . 24 1 1 A 37 37 ASN CB C 43 37.071 40.728 -3.657 1 1 407 . 24 1 1 A 37 37 ASN N N 43 115.488 115.956 -0.468 1 1 409 . 24 1 1 A 38 38 GLU H H 44 7.793 7.727 0.066 1 1 410 . 24 1 1 A 38 38 GLU HA H 44 4.772 4.986 -0.214 1 1 413 . 24 1 1 A 38 38 GLU C C 44 175.262 174.888 0.374 1 1 414 . 24 1 1 A 38 38 GLU CA C 44 54.808 54.783 0.025 1 1 415 . 24 1 1 A 38 38 GLU CB C 44 32.321 32.759 -0.438 1 1 416 . 24 1 1 A 38 38 GLU N N 44 118.734 116.599 2.135 1 1 417 . 24 1 1 A 39 39 LYS H H 45 8.706 8.670 0.036 1 1 418 . 24 1 1 A 39 39 LYS HA H 45 4.606 4.810 -0.204 1 1 427 . 24 1 1 A 39 39 LYS C C 45 174.312 175.202 -0.890 1 1 428 . 24 1 1 A 39 39 LYS CA C 45 52.782 55.328 -2.546 1 1 429 . 24 1 1 A 39 39 LYS CB C 45 35.174 33.956 1.218 1 1 433 . 24 1 1 A 39 39 LYS N N 45 117.132 122.980 -5.848 1 1 434 . 24 1 1 A 40 40 LEU H H 46 9.085 8.837 0.248 1 1 435 . 24 1 1 A 40 40 LEU HA H 46 5.044 5.191 -0.147 1 1 442 . 24 1 1 A 40 40 LEU C C 46 173.778 174.709 -0.931 1 1 443 . 24 1 1 A 40 40 LEU CA C 46 52.590 53.095 -0.505 1 1 444 . 24 1 1 A 40 40 LEU CB C 46 44.855 45.194 -0.339 1 1 447 . 24 1 1 A 40 40 LEU N N 46 125.335 126.453 -1.118 1 1 448 . 24 1 1 A 41 41 LYS H H 47 9.263 9.263 0.000 1 1 449 . 24 1 1 A 41 41 LYS HA H 47 5.049 5.101 -0.052 1 1 458 . 24 1 1 A 41 41 LYS C C 47 175.616 175.104 0.512 1 1 459 . 24 1 1 A 41 41 LYS CA C 47 53.864 55.035 -1.171 1 1 460 . 24 1 1 A 41 41 LYS CB C 47 32.986 34.584 -1.598 1 1 464 . 24 1 1 A 41 41 LYS N N 47 129.833 125.020 4.813 1 1 465 . 24 1 1 A 42 42 LEU H H 48 8.954 8.990 -0.036 1 1 466 . 24 1 1 A 42 42 LEU HA H 48 5.458 4.794 0.664 1 1 476 . 24 1 1 A 42 42 LEU C C 48 175.565 175.370 0.195 1 1 477 . 24 1 1 A 42 42 LEU CA C 48 51.964 54.743 -2.779 1 1 478 . 24 1 1 A 42 42 LEU CB C 48 44.393 43.327 1.066 1 1 482 . 24 1 1 A 42 42 LEU N N 48 126.292 127.175 -0.883 1 1 483 . 24 1 1 A 43 43 ALA H H 49 8.804 8.212 0.592 1 1 484 . 24 1 1 A 43 43 ALA HA H 49 5.304 5.219 0.085 1 1 488 . 24 1 1 A 43 43 ALA C C 49 176.301 175.920 0.381 1 1 489 . 24 1 1 A 43 43 ALA CA C 49 51.004 51.813 -0.809 1 1 490 . 24 1 1 A 43 43 ALA CB C 49 23.453 21.956 1.497 1 1 491 . 24 1 1 A 43 43 ALA N N 49 120.789 126.005 -5.216 1 1 492 . 24 1 1 A 44 44 ALA H H 50 8.117 8.663 -0.546 1 1 493 . 24 1 1 A 44 44 ALA HA H 50 4.485 4.619 -0.134 1 1 497 . 24 1 1 A 44 44 ALA C C 50 176.254 176.809 -0.555 1 1 498 . 24 1 1 A 44 44 ALA CA C 50 53.021 51.800 1.221 1 1 499 . 24 1 1 A 44 44 ALA CB C 50 23.682 21.868 1.814 1 1 500 . 24 1 1 A 44 44 ALA N N 50 120.678 121.818 -1.140 1 1 501 . 24 1 1 A 45 45 GLN H H 51 9.035 9.409 -0.374 1 1 502 . 24 1 1 A 45 45 GLN HA H 51 3.774 3.944 -0.170 1 1 509 . 24 1 1 A 45 45 GLN C C 51 175.259 174.980 0.279 1 1 510 . 24 1 1 A 45 45 GLN CA C 51 56.074 56.742 -0.668 1 1 511 . 24 1 1 A 45 45 GLN CB C 51 27.339 27.683 -0.344 1 1 513 . 24 1 1 A 45 45 GLN N N 51 116.299 123.007 -6.708 1 1 515 . 24 1 1 A 46 46 GLY H H 52 8.441 8.606 -0.165 1 1 516 . 24 1 1 A 46 46 GLY HA2 H 52 4.066 3.814 0.252 1 1 517 . 24 1 1 A 46 46 GLY HA3 H 52 3.510 3.817 -0.307 1 1 518 . 24 1 1 A 46 46 GLY C C 52 173.050 173.798 -0.748 1 1 519 . 24 1 1 A 46 46 GLY CA C 52 44.998 45.401 -0.403 1 1 520 . 24 1 1 A 46 46 GLY N N 52 105.419 105.553 -0.134 1 1 521 . 24 1 1 A 47 47 ALA H H 53 8.152 7.609 0.543 1 1 522 . 24 1 1 A 47 47 ALA HA H 53 4.767 4.855 -0.088 1 1 526 . 24 1 1 A 47 47 ALA C C 53 175.989 175.504 0.485 1 1 527 . 24 1 1 A 47 47 ALA CA C 53 49.918 50.824 -0.906 1 1 528 . 24 1 1 A 47 47 ALA CB C 53 22.720 23.221 -0.501 1 1 529 . 24 1 1 A 47 47 ALA N N 53 124.355 122.159 2.196 1 1 530 . 24 1 1 A 48 48 GLU H H 54 8.156 9.217 -1.061 1 1 531 . 24 1 1 A 48 48 GLU HA H 54 5.488 5.349 0.139 1 1 536 . 24 1 1 A 48 48 GLU C C 54 174.224 174.173 0.051 1 1 537 . 24 1 1 A 48 48 GLU CA C 54 54.346 54.542 -0.196 1 1 538 . 24 1 1 A 48 48 GLU CB C 54 34.305 34.232 0.073 1 1 540 . 24 1 1 A 48 48 GLU N N 54 116.655 116.364 0.291 1 1 541 . 24 1 1 A 49 49 LYS H H 55 8.852 8.577 0.275 1 1 542 . 24 1 1 A 49 49 LYS HA H 55 4.190 5.154 -0.964 1 1 549 . 24 1 1 A 49 49 LYS C C 55 172.887 175.757 -2.870 1 1 550 . 24 1 1 A 49 49 LYS CA C 55 56.414 54.879 1.535 1 1 551 . 24 1 1 A 49 49 LYS CB C 55 34.723 35.550 -0.827 1 1 554 . 24 1 1 A 49 49 LYS N N 55 122.922 120.607 2.315 1 1 555 . 24 1 1 A 50 50 THR H H 56 7.910 8.765 -0.855 1 1 556 . 24 1 1 A 50 50 THR HA H 56 4.908 4.810 0.098 1 1 561 . 24 1 1 A 50 50 THR C C 56 173.112 173.986 -0.874 1 1 562 . 24 1 1 A 50 50 THR CA C 56 61.998 61.557 0.441 1 1 563 . 24 1 1 A 50 50 THR CB C 56 68.596 69.925 -1.329 1 1 565 . 24 1 1 A 50 50 THR N N 56 120.811 117.324 3.487 1 1 566 . 24 1 1 A 51 51 TYR H H 57 9.432 9.123 0.309 1 1 567 . 24 1 1 A 51 51 TYR HA H 57 4.493 5.441 -0.948 1 1 574 . 24 1 1 A 51 51 TYR C C 57 174.156 173.763 0.393 1 1 575 . 24 1 1 A 51 51 TYR CA C 57 57.375 55.764 1.611 1 1 576 . 24 1 1 A 51 51 TYR CB C 57 41.895 42.334 -0.439 1 1 577 . 24 1 1 A 51 51 TYR N N 57 127.372 120.643 6.729 1 1 578 . 24 1 1 A 52 52 GLY H H 58 9.154 8.417 0.737 1 1 579 . 24 1 1 A 52 52 GLY HA2 H 58 3.543 4.070 -0.527 1 1 580 . 24 1 1 A 52 52 GLY HA3 H 58 3.543 4.114 -0.571 1 1 581 . 24 1 1 A 52 52 GLY C C 58 172.527 173.437 -0.910 1 1 582 . 24 1 1 A 52 52 GLY CA C 58 42.304 45.654 -3.350 1 1 583 . 24 1 1 A 52 52 GLY N N 58 108.920 106.573 2.347 1 1 584 . 24 1 1 A 53 53 ASN H H 59 8.877 9.310 -0.433 1 1 585 . 24 1 1 A 53 53 ASN HA H 59 4.034 4.344 -0.310 1 1 588 . 24 1 1 A 53 53 ASN C C 59 176.319 174.543 1.776 1 1 589 . 24 1 1 A 53 53 ASN CA C 59 57.108 54.130 2.978 1 1 590 . 24 1 1 A 53 53 ASN CB C 59 39.672 37.289 2.383 1 1 591 . 24 1 1 A 53 53 ASN N N 59 117.281 120.861 -3.580 1 1 592 . 24 1 1 A 54 54 GLY H H 60 8.949 8.614 0.335 1 1 593 . 24 1 1 A 54 54 GLY HA2 H 60 4.222 4.108 0.114 1 1 594 . 24 1 1 A 54 54 GLY HA3 H 60 3.348 4.124 -0.776 1 1 595 . 24 1 1 A 54 54 GLY C C 60 174.096 172.692 1.404 1 1 596 . 24 1 1 A 54 54 GLY CA C 60 44.931 45.092 -0.161 1 1 597 . 24 1 1 A 54 54 GLY N N 60 114.860 105.225 9.635 1 1 598 . 24 1 1 A 55 55 ASP H H 61 7.991 7.797 0.194 1 1 599 . 24 1 1 A 55 55 ASP HA H 61 4.493 5.022 -0.529 1 1 602 . 24 1 1 A 55 55 ASP C C 61 174.727 174.377 0.350 1 1 603 . 24 1 1 A 55 55 ASP CA C 61 54.408 52.755 1.653 1 1 604 . 24 1 1 A 55 55 ASP CB C 61 41.780 42.703 -0.923 1 1 605 . 24 1 1 A 55 55 ASP N N 61 121.974 124.866 -2.892 1 1 606 . 24 1 1 A 56 56 SER H H 62 8.485 8.552 -0.067 1 1 607 . 24 1 1 A 56 56 SER HA H 62 4.959 5.212 -0.253 1 1 610 . 24 1 1 A 56 56 SER C C 62 173.099 172.174 0.925 1 1 611 . 24 1 1 A 56 56 SER CA C 62 57.154 57.523 -0.369 1 1 612 . 24 1 1 A 56 56 SER CB C 62 64.522 65.873 -1.351 1 1 613 . 24 1 1 A 56 56 SER N N 62 113.088 115.216 -2.128 1 1 614 . 24 1 1 A 57 57 LEU H H 63 9.004 8.760 0.244 1 1 615 . 24 1 1 A 57 57 LEU HA H 63 4.500 4.956 -0.456 1 1 625 . 24 1 1 A 57 57 LEU C C 63 175.943 175.780 0.163 1 1 626 . 24 1 1 A 57 57 LEU CA C 63 53.070 53.281 -0.211 1 1 627 . 24 1 1 A 57 57 LEU CB C 63 43.800 45.746 -1.946 1 1 630 . 24 1 1 A 57 57 LEU N N 63 126.423 123.331 3.092 1 1 631 . 24 1 1 A 58 58 ASN H H 64 8.484 8.935 -0.451 1 1 632 . 24 1 1 A 58 58 ASN HA H 64 4.752 4.724 0.028 1 1 635 . 24 1 1 A 58 58 ASN C C 64 173.916 175.823 -1.907 1 1 636 . 24 1 1 A 58 58 ASN CA C 64 50.587 54.258 -3.671 1 1 637 . 24 1 1 A 58 58 ASN CB C 64 35.153 38.589 -3.436 1 1 638 . 24 1 1 A 58 58 ASN N N 64 125.624 123.129 2.495 1 1 639 . 24 1 1 A 59 59 THR H H 65 7.747 8.560 -0.813 1 1 640 . 24 1 1 A 59 59 THR HA H 65 4.770 4.639 0.131 1 1 645 . 24 1 1 A 59 59 THR C C 65 177.245 174.697 2.548 1 1 646 . 24 1 1 A 59 59 THR CA C 65 63.213 62.208 1.005 1 1 647 . 24 1 1 A 59 59 THR CB C 65 63.510 70.710 -7.200 1 1 649 . 24 1 1 A 59 59 THR N N 65 113.770 113.392 0.378 1 1 650 . 24 1 1 A 60 60 GLY H H 66 8.869 8.248 0.621 1 1 651 . 24 1 1 A 60 60 GLY HA2 H 66 3.839 3.939 -0.100 1 1 652 . 24 1 1 A 60 60 GLY HA3 H 66 3.724 3.943 -0.219 1 1 653 . 24 1 1 A 60 60 GLY C C 66 173.279 174.957 -1.678 1 1 654 . 24 1 1 A 60 60 GLY CA C 66 44.892 45.274 -0.382 1 1 655 . 24 1 1 A 60 60 GLY N N 66 114.430 109.811 4.619 1 1 656 . 24 1 1 A 61 61 LYS H H 67 6.376 9.256 -2.880 1 1 657 . 24 1 1 A 61 61 LYS HA H 67 4.021 4.031 -0.010 1 1 666 . 24 1 1 A 61 61 LYS C C 67 176.315 176.240 0.075 1 1 667 . 24 1 1 A 61 61 LYS CA C 67 54.298 58.596 -4.298 1 1 668 . 24 1 1 A 61 61 LYS CB C 67 32.200 32.179 0.021 1 1 672 . 24 1 1 A 61 61 LYS N N 67 112.620 123.515 -10.895 1 1 673 . 24 1 1 A 62 62 LEU H H 68 7.335 7.848 -0.513 1 1 674 . 24 1 1 A 62 62 LEU HA H 68 4.275 4.009 0.266 1 1 684 . 24 1 1 A 62 62 LEU C C 68 176.306 176.034 0.272 1 1 685 . 24 1 1 A 62 62 LEU CA C 68 52.479 55.999 -3.520 1 1 686 . 24 1 1 A 62 62 LEU CB C 68 40.600 40.940 -0.340 1 1 689 . 24 1 1 A 62 62 LEU N N 68 116.704 119.458 -2.754 1 1 690 . 24 1 1 A 63 63 LYS H H 69 8.506 8.395 0.111 1 1 691 . 24 1 1 A 63 63 LYS HA H 69 3.992 4.422 -0.430 1 1 700 . 24 1 1 A 63 63 LYS C C 69 175.886 176.251 -0.365 1 1 701 . 24 1 1 A 63 63 LYS CA C 69 54.986 56.461 -1.475 1 1 702 . 24 1 1 A 63 63 LYS CB C 69 32.447 32.569 -0.122 1 1 706 . 24 1 1 A 63 63 LYS N N 69 119.841 122.956 -3.115 1 1 707 . 24 1 1 A 64 64 ASN H H 70 8.080 8.753 -0.673 1 1 708 . 24 1 1 A 64 64 ASN HA H 70 3.839 4.896 -1.057 1 1 713 . 24 1 1 A 64 64 ASN C C 70 174.449 175.232 -0.783 1 1 714 . 24 1 1 A 64 64 ASN CA C 70 54.417 52.704 1.713 1 1 715 . 24 1 1 A 64 64 ASN CB C 70 38.129 40.448 -2.319 1 1 716 . 24 1 1 A 64 64 ASN N N 70 121.515 121.756 -0.241 1 1 718 . 24 1 1 A 65 65 ASP H H 71 9.218 8.146 1.072 1 1 719 . 24 1 1 A 65 65 ASP HA H 71 3.690 4.337 -0.647 1 1 722 . 24 1 1 A 65 65 ASP C C 71 173.016 174.857 -1.841 1 1 723 . 24 1 1 A 65 65 ASP CA C 71 54.726 54.959 -0.233 1 1 724 . 24 1 1 A 65 65 ASP CB C 71 38.534 39.401 -0.867 1 1 725 . 24 1 1 A 65 65 ASP N N 71 113.370 119.060 -5.690 1 1 726 . 24 1 1 A 66 66 LYS H H 72 6.443 7.804 -1.361 1 1 727 . 24 1 1 A 66 66 LYS HA H 72 4.411 4.866 -0.455 1 1 734 . 24 1 1 A 66 66 LYS C C 72 174.745 174.490 0.255 1 1 735 . 24 1 1 A 66 66 LYS CA C 72 53.094 54.642 -1.548 1 1 736 . 24 1 1 A 66 66 LYS CB C 72 36.099 35.484 0.615 1 1 739 . 24 1 1 A 66 66 LYS N N 72 113.415 115.380 -1.965 1 1 740 . 24 1 1 A 67 67 VAL H H 73 8.679 8.545 0.134 1 1 741 . 24 1 1 A 67 67 VAL HA H 73 4.189 4.737 -0.548 1 1 749 . 24 1 1 A 67 67 VAL C C 73 176.630 174.916 1.714 1 1 750 . 24 1 1 A 67 67 VAL CA C 73 62.135 60.258 1.877 1 1 751 . 24 1 1 A 67 67 VAL CB C 73 32.001 33.459 -1.458 1 1 753 . 24 1 1 A 67 67 VAL N N 73 122.098 116.926 5.172 1 1 754 . 24 1 1 A 68 68 SER H H 74 9.497 9.119 0.378 1 1 755 . 24 1 1 A 68 68 SER HA H 74 4.507 4.680 -0.173 1 1 758 . 24 1 1 A 68 68 SER C C 74 172.249 173.932 -1.683 1 1 759 . 24 1 1 A 68 68 SER CA C 74 58.323 57.920 0.403 1 1 760 . 24 1 1 A 68 68 SER CB C 74 64.028 63.865 0.163 1 1 761 . 24 1 1 A 68 68 SER N N 74 127.048 123.244 3.804 1 1 762 . 24 1 1 A 69 69 ARG H H 75 7.848 8.163 -0.315 1 1 763 . 24 1 1 A 69 69 ARG HA H 75 5.031 4.658 0.373 1 1 770 . 24 1 1 A 69 69 ARG C C 75 173.300 175.544 -2.244 1 1 771 . 24 1 1 A 69 69 ARG CA C 75 55.337 55.711 -0.374 1 1 772 . 24 1 1 A 69 69 ARG CB C 75 31.871 30.738 1.133 1 1 775 . 24 1 1 A 69 69 ARG N N 75 122.621 124.466 -1.845 1 1 776 . 24 1 1 A 70 70 PHE H H 76 9.246 8.960 0.286 1 1 777 . 24 1 1 A 70 70 PHE HA H 76 4.808 5.056 -0.248 1 1 784 . 24 1 1 A 70 70 PHE C C 76 175.788 174.026 1.762 1 1 785 . 24 1 1 A 70 70 PHE CA C 76 55.245 56.457 -1.212 1 1 786 . 24 1 1 A 70 70 PHE CB C 76 43.645 43.800 -0.155 1 1 787 . 24 1 1 A 70 70 PHE N N 76 118.087 120.268 -2.181 1 1 788 . 24 1 1 A 71 71 ASP H H 77 9.144 9.301 -0.157 1 1 789 . 24 1 1 A 71 71 ASP HA H 77 5.360 5.737 -0.377 1 1 792 . 24 1 1 A 71 71 ASP C C 77 176.477 175.074 1.403 1 1 793 . 24 1 1 A 71 71 ASP CA C 77 55.131 52.641 2.490 1 1 794 . 24 1 1 A 71 71 ASP CB C 77 41.301 44.659 -3.358 1 1 795 . 24 1 1 A 71 71 ASP N N 77 123.565 121.972 1.593 1 1 796 . 24 1 1 A 72 72 PHE H H 78 9.094 8.694 0.400 1 1 797 . 24 1 1 A 72 72 PHE HA H 78 6.431 5.763 0.668 1 1 805 . 24 1 1 A 72 72 PHE C C 78 174.014 172.936 1.078 1 1 806 . 24 1 1 A 72 72 PHE CA C 78 54.934 56.150 -1.216 1 1 807 . 24 1 1 A 72 72 PHE CB C 78 42.491 42.843 -0.352 1 1 808 . 24 1 1 A 72 72 PHE N N 78 119.663 119.145 0.518 1 1 809 . 24 1 1 A 73 73 ILE H H 79 8.623 8.726 -0.103 1 1 810 . 24 1 1 A 73 73 ILE HA H 79 4.334 4.759 -0.425 1 1 820 . 24 1 1 A 73 73 ILE C C 79 173.961 175.043 -1.082 1 1 821 . 24 1 1 A 73 73 ILE CA C 79 61.222 59.470 1.752 1 1 822 . 24 1 1 A 73 73 ILE CB C 79 41.918 41.580 0.338 1 1 826 . 24 1 1 A 73 73 ILE N N 79 119.750 121.019 -1.269 1 1 827 . 24 1 1 A 74 74 ARG H H 80 9.052 8.679 0.373 1 1 828 . 24 1 1 A 74 74 ARG HA H 80 5.311 5.270 0.041 1 1 835 . 24 1 1 A 74 74 ARG C C 80 174.870 174.981 -0.111 1 1 836 . 24 1 1 A 74 74 ARG CA C 80 54.449 54.522 -0.073 1 1 837 . 24 1 1 A 74 74 ARG CB C 80 33.740 33.824 -0.084 1 1 840 . 24 1 1 A 74 74 ARG N N 80 128.407 123.599 4.808 1 1 841 . 24 1 1 A 75 75 GLN H H 81 9.304 9.240 0.064 1 1 842 . 24 1 1 A 75 75 GLN HA H 81 5.562 5.158 0.404 1 1 849 . 24 1 1 A 75 75 GLN C C 81 173.678 174.080 -0.402 1 1 850 . 24 1 1 A 75 75 GLN CA C 81 53.745 53.806 -0.061 1 1 851 . 24 1 1 A 75 75 GLN CB C 81 34.013 32.659 1.354 1 1 853 . 24 1 1 A 75 75 GLN N N 81 125.481 118.681 6.800 1 1 855 . 24 1 1 A 76 76 ILE H H 82 8.592 8.814 -0.222 1 1 856 . 24 1 1 A 76 76 ILE HA H 82 4.576 4.753 -0.177 1 1 866 . 24 1 1 A 76 76 ILE C C 82 172.511 173.605 -1.094 1 1 867 . 24 1 1 A 76 76 ILE CA C 82 59.622 59.358 0.264 1 1 868 . 24 1 1 A 76 76 ILE CB C 82 42.248 41.831 0.417 1 1 872 . 24 1 1 A 76 76 ILE N N 82 115.536 121.289 -5.753 1 1 873 . 24 1 1 A 77 77 GLU H H 83 8.433 8.616 -0.183 1 1 874 . 24 1 1 A 77 77 GLU HA H 83 4.936 4.494 0.442 1 1 879 . 24 1 1 A 77 77 GLU C C 83 175.614 175.069 0.545 1 1 880 . 24 1 1 A 77 77 GLU CA C 83 54.812 55.375 -0.563 1 1 881 . 24 1 1 A 77 77 GLU CB C 83 30.465 28.319 2.146 1 1 883 . 24 1 1 A 77 77 GLU N N 83 124.858 128.445 -3.587 1 1 884 . 24 1 1 A 78 78 VAL H H 84 8.879 7.757 1.122 1 1 885 . 24 1 1 A 78 78 VAL HA H 84 4.076 3.686 0.390 1 1 893 . 24 1 1 A 78 78 VAL C C 84 175.694 176.278 -0.584 1 1 894 . 24 1 1 A 78 78 VAL CA C 84 61.382 64.372 -2.990 1 1 895 . 24 1 1 A 78 78 VAL CB C 84 34.014 31.499 2.515 1 1 897 . 24 1 1 A 78 78 VAL N N 84 126.973 125.405 1.568 1 1 898 . 24 1 1 A 79 79 ASP H H 85 9.329 9.580 -0.251 1 1 899 . 24 1 1 A 79 79 ASP HA H 85 4.156 4.328 -0.172 1 1 902 . 24 1 1 A 79 79 ASP C C 85 175.774 176.204 -0.430 1 1 903 . 24 1 1 A 79 79 ASP CA C 85 55.125 55.438 -0.313 1 1 904 . 24 1 1 A 79 79 ASP CB C 85 38.926 39.448 -0.522 1 1 905 . 24 1 1 A 79 79 ASP N N 85 129.387 128.644 0.743 1 1 906 . 24 1 1 A 80 80 GLY H H 86 8.575 8.692 -0.117 1 1 907 . 24 1 1 A 80 80 GLY HA2 H 86 3.992 3.855 0.137 1 1 908 . 24 1 1 A 80 80 GLY HA3 H 86 3.507 3.856 -0.349 1 1 909 . 24 1 1 A 80 80 GLY C C 86 173.366 173.858 -0.492 1 1 910 . 24 1 1 A 80 80 GLY CA C 86 44.759 45.450 -0.691 1 1 911 . 24 1 1 A 80 80 GLY N N 86 103.293 104.935 -1.642 1 1 912 . 24 1 1 A 81 81 GLN H H 87 7.751 8.057 -0.306 1 1 913 . 24 1 1 A 81 81 GLN HA H 87 4.482 4.548 -0.066 1 1 918 . 24 1 1 A 81 81 GLN C C 87 173.874 175.469 -1.595 1 1 919 . 24 1 1 A 81 81 GLN CA C 87 53.328 54.826 -1.498 1 1 920 . 24 1 1 A 81 81 GLN CB C 87 30.670 30.309 0.361 1 1 922 . 24 1 1 A 81 81 GLN N N 87 119.688 119.275 0.413 1 1 923 . 24 1 1 A 82 82 LEU H H 88 8.418 9.035 -0.617 1 1 924 . 24 1 1 A 82 82 LEU HA H 88 4.630 4.692 -0.062 1 1 934 . 24 1 1 A 82 82 LEU C C 88 176.289 175.844 0.445 1 1 935 . 24 1 1 A 82 82 LEU CA C 88 53.834 54.172 -0.338 1 1 936 . 24 1 1 A 82 82 LEU CB C 88 41.737 40.718 1.019 1 1 940 . 24 1 1 A 82 82 LEU N N 88 123.523 124.221 -0.698 1 1 941 . 24 1 1 A 83 83 ILE H H 89 9.146 8.346 0.800 1 1 942 . 24 1 1 A 83 83 ILE HA H 89 4.249 4.715 -0.466 1 1 952 . 24 1 1 A 83 83 ILE C C 89 175.698 175.130 0.568 1 1 953 . 24 1 1 A 83 83 ILE CA C 89 59.363 60.804 -1.441 1 1 954 . 24 1 1 A 83 83 ILE CB C 89 39.633 38.590 1.043 1 1 958 . 24 1 1 A 83 83 ILE N N 89 127.151 125.196 1.955 1 1 959 . 24 1 1 A 84 84 THR H H 90 8.656 8.882 -0.226 1 1 960 . 24 1 1 A 84 84 THR HA H 90 4.203 4.719 -0.516 1 1 965 . 24 1 1 A 84 84 THR C C 90 172.890 173.882 -0.992 1 1 966 . 24 1 1 A 84 84 THR CA C 90 62.641 61.172 1.469 1 1 967 . 24 1 1 A 84 84 THR CB C 90 68.634 69.235 -0.601 1 1 969 . 24 1 1 A 84 84 THR N N 90 123.099 123.074 0.025 1 1 970 . 24 1 1 A 85 85 LEU H H 91 8.967 8.392 0.575 1 1 971 . 24 1 1 A 85 85 LEU HA H 91 4.256 4.620 -0.364 1 1 980 . 24 1 1 A 85 85 LEU C C 91 177.371 176.357 1.014 1 1 981 . 24 1 1 A 85 85 LEU CA C 91 55.527 54.348 1.179 1 1 982 . 24 1 1 A 85 85 LEU CB C 91 44.315 43.818 0.497 1 1 984 . 24 1 1 A 85 85 LEU N N 91 125.333 125.525 -0.192 1 1 985 . 24 1 1 A 86 86 GLU H H 92 7.503 7.821 -0.318 1 1 986 . 24 1 1 A 86 86 GLU HA H 92 5.026 4.446 0.580 1 1 991 . 24 1 1 A 86 86 GLU C C 92 172.723 175.686 -2.963 1 1 992 . 24 1 1 A 86 86 GLU CA C 92 54.670 56.378 -1.708 1 1 993 . 24 1 1 A 86 86 GLU CB C 92 33.717 30.136 3.581 1 1 995 . 24 1 1 A 86 86 GLU N N 92 116.655 119.725 -3.070 1 1 996 . 24 1 1 A 87 87 SER H H 93 8.954 8.654 0.300 1 1 997 . 24 1 1 A 87 87 SER HA H 93 4.245 5.092 -0.847 1 1 1000 . 24 1 1 A 87 87 SER C C 93 172.763 172.737 0.026 1 1 1001 . 24 1 1 A 87 87 SER CA C 93 57.328 56.207 1.121 1 1 1002 . 24 1 1 A 87 87 SER CB C 93 65.493 66.235 -0.742 1 1 1003 . 24 1 1 A 87 87 SER N N 93 117.941 119.049 -1.108 1 1 1004 . 24 1 1 A 88 88 GLY H H 94 6.932 7.350 -0.418 1 1 1005 . 24 1 1 A 88 88 GLY HA2 H 94 3.694 4.222 -0.528 1 1 1006 . 24 1 1 A 88 88 GLY HA3 H 94 3.694 4.281 -0.587 1 1 1007 . 24 1 1 A 88 88 GLY C C 94 171.117 171.693 -0.576 1 1 1008 . 24 1 1 A 88 88 GLY CA C 94 46.575 45.918 0.657 1 1 1009 . 24 1 1 A 88 88 GLY N N 94 108.625 109.640 -1.015 1 1 1010 . 24 1 1 A 89 89 GLU H H 95 9.669 9.047 0.622 1 1 1011 . 24 1 1 A 89 89 GLU HA H 95 5.642 5.093 0.549 1 1 1016 . 24 1 1 A 89 89 GLU C C 95 173.226 175.846 -2.620 1 1 1017 . 24 1 1 A 89 89 GLU CA C 95 54.786 55.713 -0.927 1 1 1018 . 24 1 1 A 89 89 GLU CB C 95 34.334 32.227 2.107 1 1 1020 . 24 1 1 A 89 89 GLU N N 95 128.231 120.962 7.269 1 1 1021 . 24 1 1 A 90 90 PHE H H 96 10.365 8.656 1.709 1 1 1022 . 24 1 1 A 90 90 PHE HA H 96 5.048 4.956 0.092 1 1 1029 . 24 1 1 A 90 90 PHE C C 96 173.039 173.270 -0.231 1 1 1030 . 24 1 1 A 90 90 PHE CA C 96 54.616 56.824 -2.208 1 1 1031 . 24 1 1 A 90 90 PHE CB C 96 42.090 42.569 -0.479 1 1 1032 . 24 1 1 A 90 90 PHE N N 96 131.583 123.195 8.388 1 1 1033 . 24 1 1 A 91 91 GLN H H 97 8.685 8.359 0.326 1 1 1034 . 24 1 1 A 91 91 GLN HA H 97 4.959 5.109 -0.150 1 1 1041 . 24 1 1 A 91 91 GLN C C 97 174.151 174.622 -0.471 1 1 1042 . 24 1 1 A 91 91 GLN CA C 97 53.174 54.474 -1.300 1 1 1043 . 24 1 1 A 91 91 GLN CB C 97 28.812 31.337 -2.525 1 1 1045 . 24 1 1 A 91 91 GLN N N 97 126.465 125.721 0.744 1 1 1047 . 24 1 1 A 92 92 VAL H H 98 8.675 9.066 -0.391 1 1 1048 . 24 1 1 A 92 92 VAL HA H 98 4.569 4.454 0.115 1 1 1056 . 24 1 1 A 92 92 VAL C C 98 173.802 174.295 -0.493 1 1 1057 . 24 1 1 A 92 92 VAL CA C 98 59.715 61.339 -1.624 1 1 1058 . 24 1 1 A 92 92 VAL CB C 98 35.074 33.994 1.080 1 1 1061 . 24 1 1 A 92 92 VAL N N 98 118.841 124.299 -5.458 1 1 1062 . 24 1 1 A 93 93 TYR H H 99 8.896 9.060 -0.164 1 1 1063 . 24 1 1 A 93 93 TYR HA H 99 4.940 4.708 0.232 1 1 1070 . 24 1 1 A 93 93 TYR C C 99 173.330 175.043 -1.713 1 1 1071 . 24 1 1 A 93 93 TYR CA C 99 56.948 57.645 -0.697 1 1 1072 . 24 1 1 A 93 93 TYR CB C 99 40.780 39.573 1.207 1 1 1073 . 24 1 1 A 93 93 TYR N N 99 127.563 128.251 -0.688 1 1 1074 . 24 1 1 A 94 94 LYS H H 100 5.813 9.133 -3.320 1 1 1075 . 24 1 1 A 94 94 LYS HA H 100 4.248 4.819 -0.571 1 1 1082 . 24 1 1 A 94 94 LYS CA C 100 55.660 55.090 0.570 1 1 1083 . 24 1 1 A 94 94 LYS CB C 100 35.870 34.158 1.712 1 1 1084 . 24 1 1 A 94 94 LYS N N 100 128.378 125.768 2.610 1 1 1085 . 24 1 1 A 95 95 GLN H H 101 8.438 8.573 -0.135 1 1 1086 . 24 1 1 A 95 95 GLN HA H 101 5.028 4.424 0.604 1 1 1091 . 24 1 1 A 95 95 GLN C C 101 174.080 176.417 -2.337 1 1 1092 . 24 1 1 A 95 95 GLN CA C 101 54.043 57.242 -3.199 1 1 1093 . 24 1 1 A 95 95 GLN CB C 101 27.209 29.770 -2.561 1 1 1095 . 24 1 1 A 95 95 GLN N N 101 125.809 127.156 -1.347 1 1 1096 . 24 1 1 A 96 96 SER H H 102 9.057 7.629 1.428 1 1 1097 . 24 1 1 A 96 96 SER HA H 102 3.041 4.607 -1.566 1 1 1100 . 24 1 1 A 96 96 SER CA C 102 62.985 58.884 4.101 1 1 1101 . 24 1 1 A 96 96 SER CB C 102 63.242 65.973 -2.731 1 1 1102 . 24 1 1 A 96 96 SER N N 102 117.650 113.241 4.409 1 1 1103 . 24 1 1 A 97 97 HIS H H 103 10.115 7.614 2.501 1 1 1104 . 24 1 1 A 97 97 HIS HA H 103 4.406 4.802 -0.396 1 1 1109 . 24 1 1 A 97 97 HIS CA C 103 53.809 55.962 -2.153 1 1 1110 . 24 1 1 A 97 97 HIS CB C 103 30.329 31.759 -1.430 1 1 1111 . 24 1 1 A 97 97 HIS N N 103 118.385 117.512 0.873 1 1 1112 . 24 1 1 A 98 98 SER H H 104 7.241 7.790 -0.549 1 1 1113 . 24 1 1 A 98 98 SER HA H 104 4.406 4.807 -0.401 1 1 1116 . 24 1 1 A 98 98 SER CA C 104 56.712 57.411 -0.699 1 1 1117 . 24 1 1 A 98 98 SER CB C 104 65.461 65.727 -0.266 1 1 1118 . 24 1 1 A 98 98 SER N N 104 112.298 112.560 -0.262 1 1 1119 . 24 1 1 A 99 99 ALA H H 105 8.418 8.487 -0.069 1 1 1120 . 24 1 1 A 99 99 ALA HA H 105 4.753 5.132 -0.379 1 1 1124 . 24 1 1 A 99 99 ALA C C 105 173.181 176.107 -2.926 1 1 1125 . 24 1 1 A 99 99 ALA CA C 105 51.363 51.584 -0.221 1 1 1126 . 24 1 1 A 99 99 ALA CB C 105 22.271 23.213 -0.942 1 1 1127 . 24 1 1 A 99 99 ALA N N 105 116.790 121.524 -4.734 1 1 1128 . 24 1 1 A 100 100 LEU H H 106 8.376 8.734 -0.358 1 1 1129 . 24 1 1 A 100 100 LEU HA H 106 5.549 5.259 0.290 1 1 1139 . 24 1 1 A 100 100 LEU C C 106 175.338 174.865 0.473 1 1 1140 . 24 1 1 A 100 100 LEU CA C 106 53.753 53.239 0.514 1 1 1141 . 24 1 1 A 100 100 LEU CB C 106 46.393 46.395 -0.002 1 1 1145 . 24 1 1 A 100 100 LEU N N 106 115.214 117.610 -2.396 1 1 1146 . 24 1 1 A 101 101 THR H H 107 8.685 8.438 0.247 1 1 1147 . 24 1 1 A 101 101 THR HA H 107 5.287 5.140 0.147 1 1 1152 . 24 1 1 A 101 101 THR C C 107 172.493 172.768 -0.275 1 1 1153 . 24 1 1 A 101 101 THR CA C 107 57.069 59.537 -2.468 1 1 1154 . 24 1 1 A 101 101 THR CB C 107 71.308 71.603 -0.295 1 1 1156 . 24 1 1 A 101 101 THR N N 107 109.441 116.014 -6.573 1 1 1157 . 24 1 1 A 102 102 ALA H H 108 8.459 8.094 0.365 1 1 1158 . 24 1 1 A 102 102 ALA HA H 108 4.366 4.995 -0.629 1 1 1162 . 24 1 1 A 102 102 ALA C C 108 173.439 175.790 -2.351 1 1 1163 . 24 1 1 A 102 102 ALA CA C 108 51.015 50.637 0.378 1 1 1164 . 24 1 1 A 102 102 ALA CB C 108 23.424 23.433 -0.009 1 1 1165 . 24 1 1 A 102 102 ALA N N 108 120.716 126.602 -5.886 1 1 1166 . 24 1 1 A 103 103 PHE H H 109 8.510 8.865 -0.355 1 1 1167 . 24 1 1 A 103 103 PHE HA H 109 4.715 5.155 -0.440 1 1 1175 . 24 1 1 A 103 103 PHE C C 109 174.173 175.028 -0.855 1 1 1176 . 24 1 1 A 103 103 PHE CA C 109 56.640 56.485 0.155 1 1 1177 . 24 1 1 A 103 103 PHE CB C 109 41.926 41.763 0.163 1 1 1178 . 24 1 1 A 103 103 PHE N N 109 115.041 118.693 -3.652 1 1 1179 . 24 1 1 A 104 104 GLN H H 110 9.832 8.424 1.408 1 1 1180 . 24 1 1 A 104 104 GLN HA H 110 5.226 4.949 0.277 1 1 1187 . 24 1 1 A 104 104 GLN C C 110 175.186 174.636 0.550 1 1 1188 . 24 1 1 A 104 104 GLN CA C 110 53.213 55.660 -2.447 1 1 1189 . 24 1 1 A 104 104 GLN CB C 110 29.161 31.280 -2.119 1 1 1191 . 24 1 1 A 104 104 GLN N N 110 124.526 121.371 3.155 1 1 1193 . 24 1 1 A 105 105 THR H H 111 9.566 9.043 0.523 1 1 1194 . 24 1 1 A 105 105 THR HA H 111 4.186 4.589 -0.403 1 1 1199 . 24 1 1 A 105 105 THR C C 111 174.538 174.857 -0.319 1 1 1200 . 24 1 1 A 105 105 THR CA C 111 66.408 62.318 4.090 1 1 1201 . 24 1 1 A 105 105 THR CB C 111 69.385 69.696 -0.311 1 1 1203 . 24 1 1 A 105 105 THR N N 111 126.760 122.154 4.606 1 1 1204 . 24 1 1 A 106 106 GLU H H 112 9.303 9.180 0.123 1 1 1205 . 24 1 1 A 106 106 GLU HA H 112 4.811 4.564 0.247 1 1 1210 . 24 1 1 A 106 106 GLU C C 112 177.397 176.839 0.558 1 1 1211 . 24 1 1 A 106 106 GLU CA C 112 56.227 57.469 -1.242 1 1 1212 . 24 1 1 A 106 106 GLU CB C 112 31.283 30.153 1.130 1 1 1214 . 24 1 1 A 106 106 GLU N N 112 121.685 124.363 -2.678 1 1 1215 . 24 1 1 A 107 107 GLN H H 113 7.954 7.700 0.254 1 1 1216 . 24 1 1 A 107 107 GLN HA H 113 5.233 5.035 0.198 1 1 1221 . 24 1 1 A 107 107 GLN C C 113 173.999 173.791 0.208 1 1 1222 . 24 1 1 A 107 107 GLN CA C 113 53.837 54.912 -1.075 1 1 1223 . 24 1 1 A 107 107 GLN CB C 113 32.543 32.066 0.477 1 1 1225 . 24 1 1 A 107 107 GLN N N 113 117.612 116.445 1.167 1 1 1226 . 24 1 1 A 108 108 ILE H H 114 8.969 8.812 0.157 1 1 1227 . 24 1 1 A 108 108 ILE HA H 114 4.907 4.944 -0.037 1 1 1237 . 24 1 1 A 108 108 ILE C C 114 174.089 174.468 -0.379 1 1 1238 . 24 1 1 A 108 108 ILE CA C 114 58.954 58.546 0.408 1 1 1239 . 24 1 1 A 108 108 ILE CB C 114 42.799 41.998 0.801 1 1 1243 . 24 1 1 A 108 108 ILE N N 114 115.049 119.344 -4.295 1 1 1244 . 24 1 1 A 109 109 GLN H H 115 7.421 8.554 -1.133 1 1 1245 . 24 1 1 A 109 109 GLN HA H 115 4.405 4.644 -0.239 1 1 1252 . 24 1 1 A 109 109 GLN C C 115 175.654 174.473 1.181 1 1 1253 . 24 1 1 A 109 109 GLN CA C 115 56.086 55.608 0.478 1 1 1254 . 24 1 1 A 109 109 GLN CB C 115 28.483 29.749 -1.266 1 1 1256 . 24 1 1 A 109 109 GLN N N 115 121.959 123.879 -1.920 1 1 1258 . 24 1 1 A 110 110 ASP H H 116 8.569 8.239 0.330 1 1 1259 . 24 1 1 A 110 110 ASP HA H 116 4.377 5.150 -0.773 1 1 1262 . 24 1 1 A 110 110 ASP C C 116 176.662 175.218 1.444 1 1 1263 . 24 1 1 A 110 110 ASP CA C 116 53.511 52.883 0.628 1 1 1264 . 24 1 1 A 110 110 ASP CB C 116 41.187 43.951 -2.764 1 1 1265 . 24 1 1 A 110 110 ASP N N 116 125.621 125.335 0.286 1 1 1266 . 24 1 1 A 111 111 SER H H 117 8.445 8.878 -0.433 1 1 1267 . 24 1 1 A 111 111 SER HA H 117 4.024 4.409 -0.385 1 1 1270 . 24 1 1 A 111 111 SER C C 117 174.783 176.551 -1.768 1 1 1271 . 24 1 1 A 111 111 SER CA C 117 60.782 60.066 0.716 1 1 1272 . 24 1 1 A 111 111 SER CB C 117 62.560 63.429 -0.869 1 1 1273 . 24 1 1 A 111 111 SER N N 117 120.732 120.407 0.325 1 1 1274 . 24 1 1 A 112 112 GLU H H 118 8.246 9.188 -0.942 1 1 1275 . 24 1 1 A 112 112 GLU HA H 118 4.044 4.125 -0.081 1 1 1280 . 24 1 1 A 112 112 GLU C C 118 175.899 177.717 -1.818 1 1 1281 . 24 1 1 A 112 112 GLU CA C 118 56.016 59.031 -3.015 1 1 1282 . 24 1 1 A 112 112 GLU CB C 118 29.853 28.837 1.016 1 1 1284 . 24 1 1 A 112 112 GLU N N 118 119.367 120.298 -0.931 1 1 1285 . 24 1 1 A 113 113 HIS H H 119 7.418 8.021 -0.603 1 1 1286 . 24 1 1 A 113 113 HIS HA H 119 4.607 4.637 -0.030 1 1 1291 . 24 1 1 A 113 113 HIS C C 119 173.527 175.216 -1.689 1 1 1292 . 24 1 1 A 113 113 HIS CA C 119 54.515 56.384 -1.869 1 1 1293 . 24 1 1 A 113 113 HIS CB C 119 28.667 29.770 -1.103 1 1 1294 . 24 1 1 A 113 113 HIS N N 119 117.287 120.103 -2.816 1 1 1295 . 24 1 1 A 114 114 SER H H 120 8.398 8.258 0.140 1 1 1296 . 24 1 1 A 114 114 SER HA H 120 4.183 4.109 0.074 1 1 1299 . 24 1 1 A 114 114 SER C C 120 175.690 174.842 0.848 1 1 1300 . 24 1 1 A 114 114 SER CA C 120 59.149 59.031 0.118 1 1 1301 . 24 1 1 A 114 114 SER CB C 120 62.820 60.927 1.893 1 1 1302 . 24 1 1 A 114 114 SER N N 120 116.771 114.899 1.872 1 1 1303 . 24 1 1 A 115 115 GLY H H 121 8.733 8.300 0.433 1 1 1304 . 24 1 1 A 115 115 GLY HA2 H 121 4.052 4.098 -0.046 1 1 1305 . 24 1 1 A 115 115 GLY HA3 H 121 3.724 4.107 -0.383 1 1 1306 . 24 1 1 A 115 115 GLY C C 121 173.540 174.423 -0.883 1 1 1307 . 24 1 1 A 115 115 GLY CA C 121 44.692 45.245 -0.553 1 1 1308 . 24 1 1 A 115 115 GLY N N 121 112.197 108.866 3.331 1 1 1309 . 24 1 1 A 116 116 LYS H H 122 7.796 7.525 0.271 1 1 1310 . 24 1 1 A 116 116 LYS HA H 122 4.465 4.663 -0.198 1 1 1317 . 24 1 1 A 116 116 LYS C C 122 175.090 175.160 -0.070 1 1 1318 . 24 1 1 A 116 116 LYS CA C 122 55.122 54.722 0.400 1 1 1319 . 24 1 1 A 116 116 LYS CB C 122 33.861 34.422 -0.561 1 1 1322 . 24 1 1 A 116 116 LYS N N 122 120.212 119.279 0.933 1 1 1323 . 24 1 1 A 117 117 MET H H 123 8.348 8.697 -0.349 1 1 1324 . 24 1 1 A 117 117 MET HA H 123 5.082 5.133 -0.051 1 1 1332 . 24 1 1 A 117 117 MET C C 123 176.210 174.422 1.788 1 1 1333 . 24 1 1 A 117 117 MET CA C 123 52.928 54.386 -1.458 1 1 1334 . 24 1 1 A 117 117 MET CB C 123 33.841 35.867 -2.026 1 1 1337 . 24 1 1 A 117 117 MET N N 123 119.755 120.213 -0.458 1 1 1338 . 24 1 1 A 118 118 VAL H H 124 9.242 9.004 0.238 1 1 1339 . 24 1 1 A 118 118 VAL HA H 124 4.469 4.882 -0.413 1 1 1347 . 24 1 1 A 118 118 VAL C C 124 173.967 174.417 -0.450 1 1 1348 . 24 1 1 A 118 118 VAL CA C 124 59.056 59.608 -0.552 1 1 1349 . 24 1 1 A 118 118 VAL CB C 124 34.376 35.770 -1.394 1 1 1351 . 24 1 1 A 118 118 VAL N N 124 118.546 118.552 -0.006 1 1 1352 . 24 1 1 A 119 119 ALA H H 125 8.327 8.699 -0.372 1 1 1353 . 24 1 1 A 119 119 ALA HA H 125 4.624 4.640 -0.016 1 1 1357 . 24 1 1 A 119 119 ALA C C 125 177.165 175.844 1.321 1 1 1358 . 24 1 1 A 119 119 ALA CA C 125 52.043 50.888 1.155 1 1 1359 . 24 1 1 A 119 119 ALA CB C 125 18.232 18.137 0.095 1 1 1360 . 24 1 1 A 119 119 ALA N N 125 125.947 126.213 -0.266 1 1 1361 . 24 1 1 A 120 120 LYS H H 126 7.604 8.348 -0.744 1 1 1362 . 24 1 1 A 120 120 LYS HA H 126 4.046 4.721 -0.675 1 1 1371 . 24 1 1 A 120 120 LYS C C 126 172.631 175.812 -3.181 1 1 1372 . 24 1 1 A 120 120 LYS CA C 126 56.023 55.306 0.717 1 1 1373 . 24 1 1 A 120 120 LYS CB C 126 34.482 32.795 1.687 1 1 1377 . 24 1 1 A 120 120 LYS N N 126 126.149 121.022 5.127 1 1 1378 . 24 1 1 A 121 121 ARG H H 127 8.308 8.589 -0.281 1 1 1379 . 24 1 1 A 121 121 ARG HA H 127 4.901 4.696 0.205 1 1 1384 . 24 1 1 A 121 121 ARG C C 127 176.253 175.599 0.654 1 1 1385 . 24 1 1 A 121 121 ARG CA C 127 55.564 56.188 -0.624 1 1 1386 . 24 1 1 A 121 121 ARG CB C 127 28.273 29.319 -1.046 1 1 1388 . 24 1 1 A 121 121 ARG N N 127 122.760 123.974 -1.214 1 1 1389 . 24 1 1 A 122 122 GLN H H 128 7.529 7.901 -0.372 1 1 1390 . 24 1 1 A 122 122 GLN HA H 128 4.541 4.610 -0.069 1 1 1397 . 24 1 1 A 122 122 GLN C C 128 172.163 175.473 -3.310 1 1 1398 . 24 1 1 A 122 122 GLN CA C 128 54.218 55.514 -1.296 1 1 1399 . 24 1 1 A 122 122 GLN CB C 128 32.064 29.739 2.325 1 1 1401 . 24 1 1 A 122 122 GLN N N 128 121.022 121.049 -0.027 1 1 1403 . 24 1 1 A 123 123 PHE H H 129 8.620 9.132 -0.512 1 1 1404 . 24 1 1 A 123 123 PHE HA H 129 6.040 5.184 0.856 1 1 1411 . 24 1 1 A 123 123 PHE C C 129 174.530 174.492 0.038 1 1 1412 . 24 1 1 A 123 123 PHE CA C 129 56.026 58.624 -2.598 1 1 1413 . 24 1 1 A 123 123 PHE CB C 129 42.143 40.604 1.539 1 1 1414 . 24 1 1 A 123 123 PHE N N 129 125.540 127.037 -1.497 1 1 1415 . 24 1 1 A 124 124 ARG H H 130 8.018 8.109 -0.091 1 1 1416 . 24 1 1 A 124 124 ARG HA H 130 4.366 4.720 -0.354 1 1 1423 . 24 1 1 A 124 124 ARG C C 130 172.139 174.327 -2.188 1 1 1424 . 24 1 1 A 124 124 ARG CA C 130 53.422 53.743 -0.321 1 1 1425 . 24 1 1 A 124 124 ARG CB C 130 32.310 34.238 -1.928 1 1 1428 . 24 1 1 A 124 124 ARG N N 130 125.264 126.056 -0.792 1 1 1429 . 24 1 1 A 125 125 ILE H H 131 8.462 8.236 0.226 1 1 1430 . 24 1 1 A 125 125 ILE HA H 131 3.883 4.386 -0.503 1 1 1440 . 24 1 1 A 125 125 ILE C C 131 175.487 175.691 -0.204 1 1 1441 . 24 1 1 A 125 125 ILE CA C 131 58.339 61.483 -3.144 1 1 1442 . 24 1 1 A 125 125 ILE CB C 131 35.673 39.297 -3.624 1 1 1446 . 24 1 1 A 125 125 ILE N N 131 121.887 124.298 -2.411 1 1 1447 . 24 1 1 A 126 126 GLY H H 132 8.814 8.425 0.389 1 1 1448 . 24 1 1 A 126 126 GLY HA2 H 132 4.062 4.166 -0.104 1 1 1449 . 24 1 1 A 126 126 GLY HA3 H 132 4.062 4.226 -0.164 1 1 1450 . 24 1 1 A 126 126 GLY C C 132 171.583 172.321 -0.738 1 1 1451 . 24 1 1 A 126 126 GLY CA C 132 44.157 44.058 0.099 1 1 1452 . 24 1 1 A 126 126 GLY N N 132 115.675 115.187 0.488 1 1 1453 . 24 1 1 A 127 127 ASP H H 133 7.914 8.382 -0.468 1 1 1454 . 24 1 1 A 127 127 ASP HA H 133 4.584 4.619 -0.035 1 1 1457 . 24 1 1 A 127 127 ASP C C 133 174.132 175.714 -1.582 1 1 1458 . 24 1 1 A 127 127 ASP CA C 133 54.822 54.752 0.070 1 1 1459 . 24 1 1 A 127 127 ASP CB C 133 45.407 41.620 3.787 1 1 1460 . 24 1 1 A 127 127 ASP N N 133 123.737 120.219 3.518 1 1 1461 . 24 1 1 A 128 128 ILE H H 134 8.258 8.696 -0.438 1 1 1462 . 24 1 1 A 128 128 ILE HA H 134 4.392 4.672 -0.280 1 1 1472 . 24 1 1 A 128 128 ILE C C 134 174.799 174.449 0.350 1 1 1473 . 24 1 1 A 128 128 ILE CA C 134 61.596 60.312 1.284 1 1 1474 . 24 1 1 A 128 128 ILE CB C 134 37.549 39.355 -1.806 1 1 1478 . 24 1 1 A 128 128 ILE N N 134 119.105 125.019 -5.914 1 1 1479 . 24 1 1 A 129 129 ALA H H 135 8.607 8.695 -0.088 1 1 1480 . 24 1 1 A 129 129 ALA HA H 135 4.757 5.331 -0.574 1 1 1484 . 24 1 1 A 129 129 ALA C C 135 173.358 176.467 -3.109 1 1 1485 . 24 1 1 A 129 129 ALA CA C 135 50.608 50.161 0.447 1 1 1486 . 24 1 1 A 129 129 ALA CB C 135 23.348 21.856 1.492 1 1 1487 . 24 1 1 A 129 129 ALA N N 135 129.336 130.645 -1.309 1 1 1488 . 24 1 1 A 130 130 GLY H H 136 7.514 8.105 -0.591 1 1 1489 . 24 1 1 A 130 130 GLY HA2 H 136 3.551 3.126 0.425 1 1 1490 . 24 1 1 A 130 130 GLY HA3 H 136 4.422 3.887 0.535 1 1 1491 . 24 1 1 A 130 130 GLY C C 136 172.609 171.539 1.070 1 1 1492 . 24 1 1 A 130 130 GLY CA C 136 44.315 45.183 -0.868 1 1 1493 . 24 1 1 A 130 130 GLY N N 136 101.232 108.233 -7.001 1 1 1494 . 24 1 1 A 131 131 GLU H H 137 8.225 8.349 -0.124 1 1 1495 . 24 1 1 A 131 131 GLU HA H 137 4.540 4.606 -0.066 1 1 1500 . 24 1 1 A 131 131 GLU C C 137 174.864 175.780 -0.916 1 1 1501 . 24 1 1 A 131 131 GLU CA C 137 53.120 55.736 -2.616 1 1 1502 . 24 1 1 A 131 131 GLU CB C 137 28.254 29.185 -0.931 1 1 1504 . 24 1 1 A 131 131 GLU N N 137 121.002 119.867 1.135 1 1 1505 . 24 1 1 A 132 132 HIS H H 138 8.054 8.461 -0.407 1 1 1506 . 24 1 1 A 132 132 HIS HA H 138 4.771 5.011 -0.240 1 1 1511 . 24 1 1 A 132 132 HIS C C 138 175.411 175.255 0.156 1 1 1512 . 24 1 1 A 132 132 HIS CA C 138 57.942 57.419 0.523 1 1 1513 . 24 1 1 A 132 132 HIS CB C 138 27.710 30.927 -3.217 1 1 1514 . 24 1 1 A 132 132 HIS N N 138 124.204 125.029 -0.825 1 1 1515 . 24 1 1 A 133 133 THR H H 139 9.056 8.303 0.753 1 1 1516 . 24 1 1 A 133 133 THR HA H 139 3.864 4.925 -1.061 1 1 1521 . 24 1 1 A 133 133 THR C C 139 174.178 173.050 1.128 1 1 1522 . 24 1 1 A 133 133 THR CA C 139 63.225 59.622 3.603 1 1 1523 . 24 1 1 A 133 133 THR CB C 139 68.127 71.987 -3.860 1 1 1525 . 24 1 1 A 133 133 THR N N 139 125.345 113.978 11.367 1 1 1526 . 24 1 1 A 134 134 SER H H 140 8.834 8.906 -0.072 1 1 1527 . 24 1 1 A 134 134 SER HA H 140 4.560 4.489 0.071 1 1 1530 . 24 1 1 A 134 134 SER C C 140 176.713 175.821 0.892 1 1 1531 . 24 1 1 A 134 134 SER CA C 140 57.961 58.796 -0.835 1 1 1532 . 24 1 1 A 134 134 SER CB C 140 63.030 63.948 -0.918 1 1 1533 . 24 1 1 A 134 134 SER N N 140 121.791 119.121 2.670 1 1 1534 . 24 1 1 A 135 135 PHE H H 141 9.597 8.059 1.538 1 1 1535 . 24 1 1 A 135 135 PHE HA H 141 3.953 4.363 -0.410 1 1 1542 . 24 1 1 A 135 135 PHE C C 141 175.375 175.914 -0.539 1 1 1543 . 24 1 1 A 135 135 PHE CA C 141 61.339 59.504 1.835 1 1 1544 . 24 1 1 A 135 135 PHE CB C 141 39.394 38.780 0.614 1 1 1545 . 24 1 1 A 135 135 PHE N N 141 128.822 121.442 7.380 1 1 1546 . 24 1 1 A 136 136 ASP H H 142 8.017 7.401 0.616 1 1 1547 . 24 1 1 A 136 136 ASP HA H 142 4.352 4.697 -0.345 1 1 1550 . 24 1 1 A 136 136 ASP C C 142 175.358 176.670 -1.312 1 1 1551 . 24 1 1 A 136 136 ASP CA C 142 55.223 54.240 0.983 1 1 1552 . 24 1 1 A 136 136 ASP CB C 142 40.968 40.775 0.193 1 1 1553 . 24 1 1 A 136 136 ASP N N 142 113.108 120.013 -6.905 1 1 1554 . 24 1 1 A 137 137 LYS H H 143 7.340 8.207 -0.867 1 1 1555 . 24 1 1 A 137 137 LYS HA H 143 4.439 4.450 -0.011 1 1 1564 . 24 1 1 A 137 137 LYS C C 143 175.571 175.675 -0.104 1 1 1565 . 24 1 1 A 137 137 LYS CA C 143 54.096 55.858 -1.762 1 1 1566 . 24 1 1 A 137 137 LYS CB C 143 32.545 33.688 -1.143 1 1 1570 . 24 1 1 A 137 137 LYS N N 143 117.716 114.838 2.878 1 1 1571 . 24 1 1 A 138 138 LEU H H 144 6.698 7.262 -0.564 1 1 1572 . 24 1 1 A 138 138 LEU HA H 144 3.903 4.412 -0.509 1 1 1582 . 24 1 1 A 138 138 LEU C C 144 174.123 176.845 -2.722 1 1 1583 . 24 1 1 A 138 138 LEU CA C 144 52.843 52.737 0.106 1 1 1584 . 24 1 1 A 138 138 LEU CB C 144 40.993 41.401 -0.408 1 1 1588 . 24 1 1 A 138 138 LEU N N 144 120.536 121.403 -0.867 1 1 1589 . 24 1 1 A 139 139 PRO HA H 145 4.040 4.354 -0.314 1 1 1596 . 24 1 1 A 139 139 PRO C C 145 172.700 176.874 -4.174 1 1 1597 . 24 1 1 A 139 139 PRO CA C 145 62.654 64.229 -1.575 1 1 1598 . 24 1 1 A 139 139 PRO CB C 145 30.086 31.999 -1.913 1 1 1601 . 24 1 1 A 140 140 GLU H H 146 8.343 7.962 0.381 1 1 1602 . 24 1 1 A 140 140 GLU HA H 146 3.970 4.125 -0.155 1 1 1607 . 24 1 1 A 140 140 GLU C C 146 176.009 176.305 -0.296 1 1 1608 . 24 1 1 A 140 140 GLU CA C 146 56.119 58.025 -1.906 1 1 1609 . 24 1 1 A 140 140 GLU CB C 146 30.086 26.985 3.101 1 1 1611 . 24 1 1 A 140 140 GLU N N 146 119.063 115.415 3.648 1 1 1612 . 24 1 1 A 141 141 GLY H H 147 7.241 8.372 -1.131 1 1 1613 . 24 1 1 A 141 141 GLY HA2 H 147 3.918 4.016 -0.098 1 1 1614 . 24 1 1 A 141 141 GLY HA3 H 147 3.814 4.020 -0.206 1 1 1615 . 24 1 1 A 141 141 GLY C C 147 171.657 174.218 -2.561 1 1 1616 . 24 1 1 A 141 141 GLY CA C 147 43.929 45.379 -1.450 1 1 1617 . 24 1 1 A 141 141 GLY N N 147 104.270 106.161 -1.891 1 1 1618 . 24 1 1 A 142 142 GLY H H 148 8.241 7.698 0.543 1 1 1619 . 24 1 1 A 142 142 GLY HA2 H 148 3.710 4.128 -0.418 1 1 1620 . 24 1 1 A 142 142 GLY HA3 H 148 4.350 4.146 0.204 1 1 1621 . 24 1 1 A 142 142 GLY C C 148 171.767 171.613 0.154 1 1 1622 . 24 1 1 A 142 142 GLY CA C 148 43.649 45.902 -2.253 1 1 1623 . 24 1 1 A 142 142 GLY N N 148 106.996 107.956 -0.960 1 1 1624 . 24 1 1 A 143 143 ARG H H 149 8.214 8.553 -0.339 1 1 1625 . 24 1 1 A 143 143 ARG HA H 149 5.376 4.882 0.494 1 1 1632 . 24 1 1 A 143 143 ARG C C 149 174.981 173.704 1.277 1 1 1633 . 24 1 1 A 143 143 ARG CA C 149 54.235 53.507 0.728 1 1 1634 . 24 1 1 A 143 143 ARG CB C 149 32.988 34.434 -1.446 1 1 1637 . 24 1 1 A 143 143 ARG N N 149 117.762 119.099 -1.337 1 1 1638 . 24 1 1 A 144 144 ALA H H 150 9.030 8.267 0.763 1 1 1639 . 24 1 1 A 144 144 ALA HA H 150 4.730 4.740 -0.010 1 1 1643 . 24 1 1 A 144 144 ALA C C 150 175.012 175.397 -0.385 1 1 1644 . 24 1 1 A 144 144 ALA CA C 150 50.732 50.081 0.651 1 1 1645 . 24 1 1 A 144 144 ALA CB C 150 23.448 20.547 2.901 1 1 1646 . 24 1 1 A 144 144 ALA N N 150 126.630 121.531 5.099 1 1 1647 . 24 1 1 A 145 145 THR H H 151 8.560 8.488 0.072 1 1 1648 . 24 1 1 A 145 145 THR HA H 151 4.846 4.509 0.337 1 1 1653 . 24 1 1 A 145 145 THR C C 151 171.870 173.129 -1.259 1 1 1654 . 24 1 1 A 145 145 THR CA C 151 61.997 62.362 -0.365 1 1 1655 . 24 1 1 A 145 145 THR CB C 151 69.746 69.907 -0.161 1 1 1657 . 24 1 1 A 145 145 THR N N 151 117.942 117.692 0.250 1 1 1658 . 24 1 1 A 146 146 TYR H H 152 10.008 8.852 1.156 1 1 1659 . 24 1 1 A 146 146 TYR HA H 152 4.580 5.201 -0.621 1 1 1666 . 24 1 1 A 146 146 TYR C C 152 174.627 174.456 0.171 1 1 1667 . 24 1 1 A 146 146 TYR CA C 152 55.835 56.309 -0.474 1 1 1668 . 24 1 1 A 146 146 TYR CB C 152 40.094 43.116 -3.022 1 1 1669 . 24 1 1 A 146 146 TYR N N 152 126.097 123.284 2.813 1 1 1670 . 24 1 1 A 147 147 ARG H H 153 8.860 8.910 -0.050 1 1 1671 . 24 1 1 A 147 147 ARG HA H 153 5.404 4.876 0.528 1 1 1678 . 24 1 1 A 147 147 ARG C C 153 177.446 175.008 2.438 1 1 1679 . 24 1 1 A 147 147 ARG CA C 153 54.024 54.967 -0.943 1 1 1680 . 24 1 1 A 147 147 ARG CB C 153 33.539 31.875 1.664 1 1 1683 . 24 1 1 A 147 147 ARG N N 153 121.042 123.403 -2.361 1 1 1684 . 24 1 1 A 148 148 GLY H H 154 8.916 9.266 -0.350 1 1 1685 . 24 1 1 A 148 148 GLY HA2 H 154 4.816 4.120 0.696 1 1 1686 . 24 1 1 A 148 148 GLY HA3 H 154 4.422 4.132 0.290 1 1 1687 . 24 1 1 A 148 148 GLY C C 154 173.831 173.171 0.660 1 1 1688 . 24 1 1 A 148 148 GLY CA C 154 46.752 45.005 1.747 1 1 1689 . 24 1 1 A 148 148 GLY N N 154 114.154 114.233 -0.079 1 1 1690 . 24 1 1 A 149 149 THR H H 155 9.063 9.581 -0.518 1 1 1691 . 24 1 1 A 149 149 THR HA H 155 4.711 4.972 -0.261 1 1 1696 . 24 1 1 A 149 149 THR C C 155 170.370 174.344 -3.974 1 1 1697 . 24 1 1 A 149 149 THR CA C 155 62.316 62.468 -0.152 1 1 1698 . 24 1 1 A 149 149 THR CB C 155 72.596 70.456 2.140 1 1 1700 . 24 1 1 A 149 149 THR N N 155 126.410 120.727 5.683 1 1 1701 . 24 1 1 A 150 150 ALA H H 156 7.091 8.730 -1.639 1 1 1702 . 24 1 1 A 150 150 ALA HA H 156 5.289 5.429 -0.140 1 1 1706 . 24 1 1 A 150 150 ALA C C 156 173.965 176.077 -2.112 1 1 1707 . 24 1 1 A 150 150 ALA CA C 156 48.843 50.254 -1.411 1 1 1708 . 24 1 1 A 150 150 ALA CB C 156 22.573 22.456 0.117 1 1 1709 . 24 1 1 A 150 150 ALA N N 156 127.540 129.336 -1.796 1 1 1710 . 24 1 1 A 151 151 PHE H H 157 8.536 8.145 0.391 1 1 1711 . 24 1 1 A 151 151 PHE HA H 157 5.442 5.338 0.104 1 1 1718 . 24 1 1 A 151 151 PHE C C 157 171.891 173.216 -1.325 1 1 1719 . 24 1 1 A 151 151 PHE CA C 157 53.282 55.531 -2.249 1 1 1720 . 24 1 1 A 151 151 PHE CB C 157 41.020 41.714 -0.694 1 1 1721 . 24 1 1 A 151 151 PHE N N 157 117.013 115.179 1.834 1 1 1722 . 24 1 1 A 152 152 GLY H H 158 8.548 8.166 0.382 1 1 1723 . 24 1 1 A 152 152 GLY HA2 H 158 4.003 2.381 1.622 1 1 1724 . 24 1 1 A 152 152 GLY HA3 H 158 3.124 3.801 -0.677 1 1 1725 . 24 1 1 A 152 152 GLY C C 158 173.148 173.547 -0.399 1 1 1726 . 24 1 1 A 152 152 GLY CA C 158 42.630 44.979 -2.349 1 1 1727 . 24 1 1 A 152 152 GLY N N 158 108.356 105.984 2.372 1 1 1728 . 24 1 1 A 153 153 SER H H 159 7.610 8.448 -0.838 1 1 1729 . 24 1 1 A 153 153 SER HA H 159 3.421 4.287 -0.866 1 1 1732 . 24 1 1 A 153 153 SER C C 159 176.057 175.279 0.778 1 1 1733 . 24 1 1 A 153 153 SER CA C 159 58.787 60.145 -1.358 1 1 1734 . 24 1 1 A 153 153 SER CB C 159 61.886 63.094 -1.208 1 1 1735 . 24 1 1 A 153 153 SER N N 159 115.173 114.666 0.507 1 1 1736 . 24 1 1 A 154 154 ASP H H 160 9.894 8.120 1.774 1 1 1737 . 24 1 1 A 154 154 ASP HA H 160 4.168 4.796 -0.628 1 1 1740 . 24 1 1 A 154 154 ASP C C 160 175.191 176.234 -1.043 1 1 1741 . 24 1 1 A 154 154 ASP CA C 160 55.398 56.424 -1.026 1 1 1742 . 24 1 1 A 154 154 ASP CB C 160 39.212 41.114 -1.902 1 1 1743 . 24 1 1 A 154 154 ASP N N 160 124.828 120.336 4.492 1 1 1744 . 24 1 1 A 155 155 ASP H H 161 7.520 8.113 -0.593 1 1 1745 . 24 1 1 A 155 155 ASP HA H 161 4.568 4.939 -0.371 1 1 1748 . 24 1 1 A 155 155 ASP C C 161 172.658 175.960 -3.302 1 1 1749 . 24 1 1 A 155 155 ASP CA C 161 54.342 53.069 1.273 1 1 1750 . 24 1 1 A 155 155 ASP CB C 161 40.619 41.947 -1.328 1 1 1751 . 24 1 1 A 155 155 ASP N N 161 116.749 118.550 -1.801 1 1 1752 . 24 1 1 A 156 156 ALA H H 162 8.544 7.775 0.769 1 1 1753 . 24 1 1 A 156 156 ALA HA H 162 4.916 4.025 0.891 1 1 1757 . 24 1 1 A 156 156 ALA C C 162 177.708 177.064 0.644 1 1 1758 . 24 1 1 A 156 156 ALA CA C 162 49.878 54.055 -4.177 1 1 1759 . 24 1 1 A 156 156 ALA CB C 162 17.473 17.974 -0.501 1 1 1760 . 24 1 1 A 156 156 ALA N N 162 128.246 120.486 7.760 1 1 1761 . 24 1 1 A 157 157 GLY H H 163 8.406 8.669 -0.263 1 1 1762 . 24 1 1 A 157 157 GLY HA2 H 163 4.286 3.854 0.432 1 1 1763 . 24 1 1 A 157 157 GLY HA3 H 163 3.894 3.859 0.035 1 1 1764 . 24 1 1 A 157 157 GLY C C 163 174.344 173.825 0.519 1 1 1765 . 24 1 1 A 157 157 GLY CA C 163 45.049 45.197 -0.148 1 1 1766 . 24 1 1 A 157 157 GLY N N 163 106.545 107.550 -1.005 1 1 1767 . 24 1 1 A 158 158 GLY H H 164 7.128 8.388 -1.260 1 1 1768 . 24 1 1 A 158 158 GLY HA2 H 164 4.118 4.020 0.098 1 1 1769 . 24 1 1 A 158 158 GLY HA3 H 164 3.641 4.035 -0.394 1 1 1770 . 24 1 1 A 158 158 GLY C C 164 173.903 172.584 1.319 1 1 1771 . 24 1 1 A 158 158 GLY CA C 164 45.225 43.876 1.349 1 1 1772 . 24 1 1 A 158 158 GLY N N 164 106.404 107.298 -0.894 1 1 1773 . 24 1 1 A 159 159 LYS H H 165 9.647 8.236 1.411 1 1 1774 . 24 1 1 A 159 159 LYS HA H 165 5.052 4.947 0.105 1 1 1781 . 24 1 1 A 159 159 LYS C C 165 174.390 175.176 -0.786 1 1 1782 . 24 1 1 A 159 159 LYS CA C 165 53.501 54.348 -0.847 1 1 1783 . 24 1 1 A 159 159 LYS CB C 165 34.622 35.940 -1.318 1 1 1786 . 24 1 1 A 159 159 LYS N N 165 123.930 119.373 4.557 1 1 1787 . 24 1 1 A 160 160 LEU H H 166 7.706 9.059 -1.353 1 1 1788 . 24 1 1 A 160 160 LEU HA H 166 4.873 5.318 -0.445 1 1 1798 . 24 1 1 A 160 160 LEU C C 166 174.825 175.536 -0.711 1 1 1799 . 24 1 1 A 160 160 LEU CA C 166 52.677 52.853 -0.176 1 1 1800 . 24 1 1 A 160 160 LEU CB C 166 44.629 45.680 -1.051 1 1 1804 . 24 1 1 A 160 160 LEU N N 166 126.271 120.295 5.976 1 1 1805 . 24 1 1 A 161 161 THR H H 167 8.374 8.840 -0.466 1 1 1806 . 24 1 1 A 161 161 THR HA H 167 4.949 5.022 -0.073 1 1 1811 . 24 1 1 A 161 161 THR C C 167 172.102 173.133 -1.031 1 1 1812 . 24 1 1 A 161 161 THR CA C 167 61.761 62.460 -0.699 1 1 1813 . 24 1 1 A 161 161 THR CB C 167 70.169 70.481 -0.312 1 1 1815 . 24 1 1 A 161 161 THR N N 167 122.977 116.575 6.402 1 1 1816 . 24 1 1 A 162 162 TYR H H 168 9.174 8.787 0.387 1 1 1817 . 24 1 1 A 162 162 TYR HA H 168 4.766 5.487 -0.721 1 1 1824 . 24 1 1 A 162 162 TYR C C 168 172.249 173.830 -1.581 1 1 1825 . 24 1 1 A 162 162 TYR CA C 168 58.162 56.543 1.619 1 1 1826 . 24 1 1 A 162 162 TYR CB C 168 43.746 42.386 1.360 1 1 1827 . 24 1 1 A 162 162 TYR N N 168 128.112 126.819 1.293 1 1 1828 . 24 1 1 A 163 163 THR H H 169 8.711 8.133 0.578 1 1 1829 . 24 1 1 A 163 163 THR HA H 169 5.402 5.126 0.276 1 1 1834 . 24 1 1 A 163 163 THR C C 169 172.520 171.812 0.708 1 1 1835 . 24 1 1 A 163 163 THR CA C 169 60.804 59.901 0.903 1 1 1836 . 24 1 1 A 163 163 THR CB C 169 70.818 71.621 -0.803 1 1 1838 . 24 1 1 A 163 163 THR N N 169 124.549 120.379 4.170 1 1 1839 . 24 1 1 A 164 164 ILE H H 170 8.927 8.749 0.178 1 1 1840 . 24 1 1 A 164 164 ILE HA H 170 4.313 4.798 -0.485 1 1 1850 . 24 1 1 A 164 164 ILE C C 170 173.105 173.740 -0.635 1 1 1851 . 24 1 1 A 164 164 ILE CA C 170 60.595 59.931 0.664 1 1 1852 . 24 1 1 A 164 164 ILE CB C 170 41.274 40.918 0.356 1 1 1856 . 24 1 1 A 164 164 ILE N N 170 123.685 126.421 -2.736 1 1 1857 . 24 1 1 A 165 165 ASP H H 171 8.372 8.749 -0.377 1 1 1858 . 24 1 1 A 165 165 ASP HA H 171 4.750 4.603 0.147 1 1 1861 . 24 1 1 A 165 165 ASP C C 171 177.213 176.067 1.146 1 1 1862 . 24 1 1 A 165 165 ASP CA C 171 51.669 53.262 -1.593 1 1 1863 . 24 1 1 A 165 165 ASP CB C 171 41.730 38.665 3.065 1 1 1864 . 24 1 1 A 165 165 ASP N N 171 125.168 129.405 -4.237 1 1 1865 . 24 1 1 A 166 166 PHE H H 172 8.968 7.302 1.666 1 1 1866 . 24 1 1 A 166 166 PHE HA H 172 3.879 4.163 -0.284 1 1 1874 . 24 1 1 A 166 166 PHE C C 172 176.940 178.425 -1.485 1 1 1875 . 24 1 1 A 166 166 PHE CA C 172 61.543 60.254 1.289 1 1 1876 . 24 1 1 A 166 166 PHE CB C 172 37.424 38.613 -1.189 1 1 1877 . 24 1 1 A 166 166 PHE N N 172 123.597 121.691 1.906 1 1 1878 . 24 1 1 A 167 167 ALA H H 173 8.266 8.159 0.107 1 1 1879 . 24 1 1 A 167 167 ALA HA H 173 4.322 4.221 0.101 1 1 1883 . 24 1 1 A 167 167 ALA C C 173 178.888 177.943 0.945 1 1 1884 . 24 1 1 A 167 167 ALA CA C 173 54.458 54.204 0.254 1 1 1885 . 24 1 1 A 167 167 ALA CB C 173 17.591 18.498 -0.907 1 1 1886 . 24 1 1 A 167 167 ALA N N 173 122.113 121.607 0.506 1 1 1887 . 24 1 1 A 168 168 ALA H H 174 7.405 7.833 -0.428 1 1 1888 . 24 1 1 A 168 168 ALA HA H 174 4.096 4.488 -0.392 1 1 1892 . 24 1 1 A 168 168 ALA C C 174 176.605 176.608 -0.003 1 1 1893 . 24 1 1 A 168 168 ALA CA C 174 51.225 51.268 -0.043 1 1 1894 . 24 1 1 A 168 168 ALA CB C 174 18.307 19.938 -1.631 1 1 1895 . 24 1 1 A 168 168 ALA N N 174 118.760 119.632 -0.872 1 1 1896 . 24 1 1 A 169 169 LYS H H 175 7.906 7.838 0.068 1 1 1897 . 24 1 1 A 169 169 LYS HA H 175 3.391 3.919 -0.528 1 1 1904 . 24 1 1 A 169 169 LYS C C 175 174.608 174.683 -0.075 1 1 1905 . 24 1 1 A 169 169 LYS CA C 175 57.049 57.326 -0.277 1 1 1906 . 24 1 1 A 169 169 LYS CB C 175 30.051 29.384 0.667 1 1 1909 . 24 1 1 A 169 169 LYS N N 175 114.394 115.036 -0.642 1 1 1910 . 24 1 1 A 170 170 GLN H H 176 7.629 7.145 0.484 1 1 1911 . 24 1 1 A 170 170 GLN HA H 176 5.414 4.962 0.452 1 1 1918 . 24 1 1 A 170 170 GLN C C 176 174.325 174.535 -0.210 1 1 1919 . 24 1 1 A 170 170 GLN CA C 176 54.393 54.309 0.084 1 1 1920 . 24 1 1 A 170 170 GLN CB C 176 34.771 30.997 3.774 1 1 1922 . 24 1 1 A 170 170 GLN N N 176 116.433 116.718 -0.285 1 1 1924 . 24 1 1 A 171 171 GLY H H 177 8.854 9.487 -0.633 1 1 1925 . 24 1 1 A 171 171 GLY HA2 H 177 5.205 4.157 1.048 1 1 1926 . 24 1 1 A 171 171 GLY HA3 H 177 3.526 4.349 -0.823 1 1 1927 . 24 1 1 A 171 171 GLY C C 177 170.842 172.075 -1.233 1 1 1928 . 24 1 1 A 171 171 GLY CA C 177 44.621 44.737 -0.116 1 1 1929 . 24 1 1 A 171 171 GLY N N 177 110.189 112.630 -2.441 1 1 1930 . 24 1 1 A 172 172 ASN H H 178 7.637 8.627 -0.990 1 1 1931 . 24 1 1 A 172 172 ASN HA H 178 4.224 5.231 -1.007 1 1 1936 . 24 1 1 A 172 172 ASN C C 178 171.546 173.545 -1.999 1 1 1937 . 24 1 1 A 172 172 ASN CA C 178 53.729 51.428 2.301 1 1 1938 . 24 1 1 A 172 172 ASN CB C 178 41.543 42.633 -1.090 1 1 1939 . 24 1 1 A 172 172 ASN N N 178 112.667 121.900 -9.233 1 1 1941 . 24 1 1 A 173 173 GLY H H 179 9.103 8.300 0.803 1 1 1942 . 24 1 1 A 173 173 GLY HA2 H 179 4.491 4.274 0.217 1 1 1943 . 24 1 1 A 173 173 GLY HA3 H 179 4.084 4.364 -0.280 1 1 1944 . 24 1 1 A 173 173 GLY C C 179 172.400 171.913 0.487 1 1 1945 . 24 1 1 A 173 173 GLY CA C 179 47.199 45.666 1.533 1 1 1946 . 24 1 1 A 173 173 GLY N N 179 106.686 108.330 -1.644 1 1 1947 . 24 1 1 A 174 174 LYS H H 180 9.179 8.917 0.262 1 1 1948 . 24 1 1 A 174 174 LYS HA H 180 4.821 4.977 -0.156 1 1 1957 . 24 1 1 A 174 174 LYS C C 180 172.518 173.803 -1.285 1 1 1958 . 24 1 1 A 174 174 LYS CA C 180 56.617 55.401 1.216 1 1 1959 . 24 1 1 A 174 174 LYS CB C 180 35.373 35.445 -0.072 1 1 1963 . 24 1 1 A 174 174 LYS N N 180 121.816 116.598 5.218 1 1 1964 . 24 1 1 A 175 175 ILE H H 181 8.351 8.557 -0.206 1 1 1965 . 24 1 1 A 175 175 ILE HA H 181 4.581 5.230 -0.649 1 1 1973 . 24 1 1 A 175 175 ILE C C 181 173.997 174.439 -0.442 1 1 1974 . 24 1 1 A 175 175 ILE CA C 181 60.490 59.118 1.372 1 1 1975 . 24 1 1 A 175 175 ILE CB C 181 39.573 42.432 -2.859 1 1 1978 . 24 1 1 A 175 175 ILE N N 181 123.400 122.022 1.378 1 1 1979 . 24 1 1 A 176 176 GLU H H 182 8.492 8.674 -0.182 1 1 1980 . 24 1 1 A 176 176 GLU HA H 182 4.471 4.608 -0.137 1 1 1985 . 24 1 1 A 176 176 GLU C C 182 175.392 176.980 -1.588 1 1 1986 . 24 1 1 A 176 176 GLU CA C 182 53.410 55.894 -2.484 1 1 1987 . 24 1 1 A 176 176 GLU CB C 182 35.479 30.980 4.499 1 1 1989 . 24 1 1 A 176 176 GLU N N 182 122.287 125.766 -3.479 1 1 1990 . 24 1 1 A 177 177 HIS H H 183 8.431 8.129 0.302 1 1 1991 . 24 1 1 A 177 177 HIS HA H 183 3.975 4.676 -0.701 1 1 1996 . 24 1 1 A 177 177 HIS C C 183 176.008 175.079 0.929 1 1 1997 . 24 1 1 A 177 177 HIS CA C 183 57.533 55.790 1.743 1 1 1998 . 24 1 1 A 177 177 HIS CB C 183 27.362 29.928 -2.566 1 1 1999 . 24 1 1 A 177 177 HIS N N 183 109.605 119.519 -9.914 1 1 2000 . 24 1 1 A 178 178 LEU H H 184 9.603 7.756 1.847 1 1 2001 . 24 1 1 A 178 178 LEU HA H 184 4.276 4.258 0.018 1 1 2011 . 24 1 1 A 178 178 LEU C C 184 178.805 178.207 0.598 1 1 2012 . 24 1 1 A 178 178 LEU CA C 184 56.034 54.273 1.761 1 1 2013 . 24 1 1 A 178 178 LEU CB C 184 39.882 41.874 -1.992 1 1 2017 . 24 1 1 A 178 178 LEU N N 184 124.374 120.347 4.027 1 1 2018 . 24 1 1 A 179 179 LYS H H 185 10.002 8.782 1.220 1 1 2019 . 24 1 1 A 179 179 LYS HA H 185 3.682 4.095 -0.413 1 1 2028 . 24 1 1 A 179 179 LYS C C 185 177.660 176.093 1.567 1 1 2029 . 24 1 1 A 179 179 LYS CA C 185 57.721 58.964 -1.243 1 1 2030 . 24 1 1 A 179 179 LYS CB C 185 31.949 32.052 -0.103 1 1 2034 . 24 1 1 A 179 179 LYS N N 185 122.880 121.392 1.488 1 1 2035 . 24 1 1 A 180 180 SER H H 186 7.262 7.741 -0.479 1 1 2036 . 24 1 1 A 180 180 SER HA H 186 4.672 4.822 -0.150 1 1 2039 . 24 1 1 A 180 180 SER C C 186 173.086 173.830 -0.744 1 1 2040 . 24 1 1 A 180 180 SER CA C 186 54.576 55.266 -0.690 1 1 2041 . 24 1 1 A 180 180 SER CB C 186 62.715 65.615 -2.900 1 1 2042 . 24 1 1 A 180 180 SER N N 186 115.187 115.442 -0.255 1 1 2043 . 24 1 1 A 181 181 PRO HA H 187 3.956 4.265 -0.309 1 1 2050 . 24 1 1 A 181 181 PRO CA C 187 65.359 65.643 -0.284 1 1 2051 . 24 1 1 A 181 181 PRO CB C 187 32.061 31.873 0.188 1 1 2054 . 24 1 1 A 182 182 GLU H H 188 8.076 8.590 -0.514 1 1 2055 . 24 1 1 A 182 182 GLU HA H 188 3.011 4.082 -1.071 1 1 2060 . 24 1 1 A 182 182 GLU C C 188 173.944 178.935 -4.991 1 1 2061 . 24 1 1 A 182 182 GLU CA C 188 56.597 58.959 -2.362 1 1 2062 . 24 1 1 A 182 182 GLU CB C 188 29.581 29.115 0.466 1 1 2064 . 24 1 1 A 182 182 GLU N N 188 113.034 117.536 -4.502 1 1 2065 . 24 1 1 A 183 183 LEU H H 189 7.126 7.693 -0.567 1 1 2066 . 24 1 1 A 183 183 LEU HA H 189 3.970 4.352 -0.382 1 1 2076 . 24 1 1 A 183 183 LEU C C 189 175.597 177.299 -1.702 1 1 2077 . 24 1 1 A 183 183 LEU CA C 189 53.849 56.750 -2.901 1 1 2078 . 24 1 1 A 183 183 LEU CB C 189 41.152 42.096 -0.944 1 1 2082 . 24 1 1 A 183 183 LEU N N 189 112.896 118.974 -6.078 1 1 2083 . 24 1 1 A 184 184 ASN H H 190 6.952 7.614 -0.662 1 1 2084 . 24 1 1 A 184 184 ASN HA H 190 4.596 4.643 -0.047 1 1 2089 . 24 1 1 A 184 184 ASN C C 190 175.694 174.969 0.725 1 1 2090 . 24 1 1 A 184 184 ASN CA C 190 53.200 53.432 -0.232 1 1 2091 . 24 1 1 A 184 184 ASN CB C 190 36.466 39.009 -2.543 1 1 2092 . 24 1 1 A 184 184 ASN N N 190 117.865 117.416 0.449 1 1 2094 . 24 1 1 A 185 185 VAL H H 191 7.178 8.779 -1.601 1 1 2095 . 24 1 1 A 185 185 VAL HA H 191 4.480 4.815 -0.335 1 1 2103 . 24 1 1 A 185 185 VAL C C 191 174.874 175.056 -0.182 1 1 2104 . 24 1 1 A 185 185 VAL CA C 191 59.753 59.902 -0.149 1 1 2105 . 24 1 1 A 185 185 VAL CB C 191 33.035 33.878 -0.843 1 1 2108 . 24 1 1 A 185 185 VAL N N 191 113.276 118.456 -5.180 1 1 2109 . 24 1 1 A 186 186 ASP H H 192 8.827 8.630 0.197 1 1 2110 . 24 1 1 A 186 186 ASP HA H 192 4.779 4.867 -0.088 1 1 2113 . 24 1 1 A 186 186 ASP C C 192 174.919 175.573 -0.654 1 1 2114 . 24 1 1 A 186 186 ASP CA C 192 54.058 54.357 -0.299 1 1 2115 . 24 1 1 A 186 186 ASP CB C 192 41.635 42.331 -0.696 1 1 2116 . 24 1 1 A 186 186 ASP N N 192 118.111 122.388 -4.277 1 1 2117 . 24 1 1 A 187 187 LEU H H 193 8.375 8.713 -0.338 1 1 2118 . 24 1 1 A 187 187 LEU HA H 193 4.146 4.809 -0.663 1 1 2127 . 24 1 1 A 187 187 LEU CA C 193 52.331 53.609 -1.278 1 1 2128 . 24 1 1 A 187 187 LEU CB C 193 38.187 43.651 -5.464 1 1 2131 . 24 1 1 A 187 187 LEU N N 193 123.130 123.623 -0.493 1 1 2132 . 24 1 1 A 188 188 ALA H H 194 8.225 8.915 -0.690 1 1 2133 . 24 1 1 A 188 188 ALA HA H 194 4.098 4.561 -0.463 1 1 2137 . 24 1 1 A 188 188 ALA C C 194 176.239 176.971 -0.732 1 1 2138 . 24 1 1 A 188 188 ALA CA C 194 52.498 51.760 0.738 1 1 2139 . 24 1 1 A 188 188 ALA CB C 194 20.030 19.210 0.820 1 1 2140 . 24 1 1 A 188 188 ALA N N 194 126.289 127.253 -0.964 1 1 2141 . 24 1 1 A 189 189 ALA H H 195 8.275 8.343 -0.068 1 1 2142 . 24 1 1 A 189 189 ALA HA H 195 4.862 4.380 0.482 1 1 2146 . 24 1 1 A 189 189 ALA C C 195 178.131 177.900 0.231 1 1 2147 . 24 1 1 A 189 189 ALA CA C 195 51.822 53.236 -1.414 1 1 2148 . 24 1 1 A 189 189 ALA CB C 195 17.367 19.010 -1.643 1 1 2149 . 24 1 1 A 189 189 ALA N N 195 122.010 125.875 -3.865 1 1 2150 . 24 1 1 A 190 190 ALA H H 196 8.823 8.900 -0.077 1 1 2151 . 24 1 1 A 190 190 ALA HA H 196 4.634 5.094 -0.460 1 1 2155 . 24 1 1 A 190 190 ALA C C 196 175.141 175.679 -0.538 1 1 2156 . 24 1 1 A 190 190 ALA CA C 196 50.420 50.597 -0.177 1 1 2157 . 24 1 1 A 190 190 ALA CB C 196 23.461 23.268 0.193 1 1 2158 . 24 1 1 A 190 190 ALA N N 196 126.018 124.517 1.501 1 1 2159 . 24 1 1 A 191 191 ASP H H 197 8.365 8.664 -0.299 1 1 2160 . 24 1 1 A 191 191 ASP HA H 197 5.160 5.030 0.130 1 1 2163 . 24 1 1 A 191 191 ASP C C 197 176.028 176.370 -0.342 1 1 2164 . 24 1 1 A 191 191 ASP CA C 197 54.034 52.870 1.164 1 1 2165 . 24 1 1 A 191 191 ASP CB C 197 41.691 42.000 -0.309 1 1 2166 . 24 1 1 A 191 191 ASP N N 197 118.646 120.032 -1.386 1 1 2167 . 24 1 1 A 192 192 ILE H H 198 7.915 7.849 0.066 1 1 2168 . 24 1 1 A 192 192 ILE HA H 198 4.315 4.189 0.126 1 1 2178 . 24 1 1 A 192 192 ILE C C 198 174.684 175.457 -0.773 1 1 2179 . 24 1 1 A 192 192 ILE CA C 198 60.951 61.892 -0.941 1 1 2180 . 24 1 1 A 192 192 ILE CB C 198 41.989 37.954 4.035 1 1 2184 . 24 1 1 A 192 192 ILE N N 198 119.664 121.249 -1.585 1 1 2185 . 24 1 1 A 193 193 LYS H H 199 9.175 8.653 0.522 1 1 2186 . 24 1 1 A 193 193 LYS HA H 199 4.530 4.586 -0.056 1 1 2195 . 24 1 1 A 193 193 LYS C C 199 172.639 174.019 -1.380 1 1 2196 . 24 1 1 A 193 193 LYS CA C 199 53.361 52.730 0.631 1 1 2197 . 24 1 1 A 193 193 LYS CB C 199 34.758 33.891 0.867 1 1 2201 . 24 1 1 A 193 193 LYS N N 199 127.122 126.924 0.198 1 1 2202 . 24 1 1 A 195 195 ASP H H 201 8.390 9.111 -0.721 1 1 2203 . 24 1 1 A 195 195 ASP HA H 201 4.550 4.837 -0.287 1 1 2206 . 24 1 1 A 195 195 ASP C C 201 179.300 176.258 3.042 1 1 2207 . 24 1 1 A 195 195 ASP CA C 201 51.354 55.656 -4.302 1 1 2208 . 24 1 1 A 195 195 ASP CB C 201 40.324 43.328 -3.004 1 1 2209 . 24 1 1 A 195 195 ASP N N 201 123.239 121.914 1.325 1 1 2210 . 24 1 1 A 196 196 GLY HA2 H 202 3.718 3.999 -0.281 1 1 2211 . 24 1 1 A 196 196 GLY HA3 H 202 3.437 4.021 -0.584 1 1 2212 . 24 1 1 A 196 196 GLY CA C 202 46.527 45.482 1.045 1 1 2213 . 24 1 1 A 197 197 LYS H H 203 7.740 8.265 -0.525 1 1 2214 . 24 1 1 A 197 197 LYS HA H 203 4.118 4.152 -0.034 1 1 2221 . 24 1 1 A 197 197 LYS C C 203 174.941 176.843 -1.902 1 1 2222 . 24 1 1 A 197 197 LYS CA C 203 55.054 55.327 -0.273 1 1 2223 . 24 1 1 A 197 197 LYS CB C 203 31.192 31.163 0.029 1 1 2226 . 24 1 1 A 197 197 LYS N N 203 120.305 118.635 1.670 1 1 2227 . 24 1 1 A 198 198 ARG H H 204 8.059 8.144 -0.085 1 1 2228 . 24 1 1 A 198 198 ARG HA H 204 3.441 3.999 -0.558 1 1 2235 . 24 1 1 A 198 198 ARG C C 204 175.152 175.365 -0.213 1 1 2236 . 24 1 1 A 198 198 ARG CA C 204 56.911 57.511 -0.600 1 1 2237 . 24 1 1 A 198 198 ARG CB C 204 26.584 28.200 -1.616 1 1 2240 . 24 1 1 A 198 198 ARG N N 204 111.796 115.455 -3.659 1 1 2241 . 24 1 1 A 199 199 HIS H H 205 8.531 7.823 0.708 1 1 2242 . 24 1 1 A 199 199 HIS HA H 205 4.812 4.789 0.023 1 1 2247 . 24 1 1 A 199 199 HIS C C 205 174.866 175.138 -0.272 1 1 2248 . 24 1 1 A 199 199 HIS CA C 205 53.700 57.022 -3.322 1 1 2249 . 24 1 1 A 199 199 HIS CB C 205 27.838 31.025 -3.187 1 1 2250 . 24 1 1 A 199 199 HIS N N 205 120.255 119.528 0.727 1 1 2251 . 24 1 1 A 200 200 ALA H H 206 8.492 8.659 -0.167 1 1 2252 . 24 1 1 A 200 200 ALA HA H 206 4.615 5.473 -0.858 1 1 2256 . 24 1 1 A 200 200 ALA C C 206 175.840 175.553 0.287 1 1 2257 . 24 1 1 A 200 200 ALA CA C 206 52.247 50.597 1.650 1 1 2258 . 24 1 1 A 200 200 ALA CB C 206 19.838 23.906 -4.068 1 1 2259 . 24 1 1 A 200 200 ALA N N 206 123.237 123.269 -0.032 1 1 2260 . 24 1 1 A 201 201 VAL H H 207 9.174 8.805 0.369 1 1 2261 . 24 1 1 A 201 201 VAL HA H 207 4.976 4.909 0.067 1 1 2269 . 24 1 1 A 201 201 VAL C C 207 173.390 174.825 -1.435 1 1 2270 . 24 1 1 A 201 201 VAL CA C 207 60.775 60.636 0.139 1 1 2271 . 24 1 1 A 201 201 VAL CB C 207 35.488 36.003 -0.515 1 1 2274 . 24 1 1 A 201 201 VAL N N 207 123.250 119.479 3.771 1 1 2275 . 24 1 1 A 202 202 ILE H H 208 8.887 8.829 0.058 1 1 2276 . 24 1 1 A 202 202 ILE HA H 208 4.312 4.899 -0.587 1 1 2286 . 24 1 1 A 202 202 ILE C C 208 174.670 174.579 0.091 1 1 2287 . 24 1 1 A 202 202 ILE CA C 208 60.815 59.786 1.029 1 1 2288 . 24 1 1 A 202 202 ILE CB C 208 41.576 39.754 1.822 1 1 2292 . 24 1 1 A 202 202 ILE N N 208 122.699 127.245 -4.546 1 1 2293 . 24 1 1 A 203 203 SER H H 209 8.416 8.956 -0.540 1 1 2294 . 24 1 1 A 203 203 SER HA H 209 4.913 4.806 0.107 1 1 2297 . 24 1 1 A 203 203 SER C C 209 172.984 173.313 -0.329 1 1 2298 . 24 1 1 A 203 203 SER CA C 209 55.676 57.620 -1.944 1 1 2299 . 24 1 1 A 203 203 SER CB C 209 64.355 64.611 -0.256 1 1 2300 . 24 1 1 A 203 203 SER N N 209 122.067 125.240 -3.173 1 1 2301 . 24 1 1 A 204 204 GLY H H 210 7.292 7.770 -0.478 1 1 2302 . 24 1 1 A 204 204 GLY HA2 H 210 4.432 4.083 0.349 1 1 2303 . 24 1 1 A 204 204 GLY HA3 H 210 3.352 4.232 -0.880 1 1 2304 . 24 1 1 A 204 204 GLY C C 210 172.482 172.297 0.185 1 1 2305 . 24 1 1 A 204 204 GLY CA C 210 45.167 44.418 0.749 1 1 2306 . 24 1 1 A 204 204 GLY N N 210 110.488 113.072 -2.584 1 1 2307 . 24 1 1 A 205 205 SER H H 211 8.652 8.679 -0.027 1 1 2308 . 24 1 1 A 205 205 SER HA H 211 5.027 5.421 -0.394 1 1 2311 . 24 1 1 A 205 205 SER C C 211 172.852 173.199 -0.347 1 1 2312 . 24 1 1 A 205 205 SER CA C 211 58.806 57.533 1.273 1 1 2313 . 24 1 1 A 205 205 SER CB C 211 64.384 66.236 -1.852 1 1 2314 . 24 1 1 A 205 205 SER N N 211 116.497 116.768 -0.271 1 1 2315 . 24 1 1 A 206 206 VAL H H 212 7.400 8.730 -1.330 1 1 2316 . 24 1 1 A 206 206 VAL HA H 212 5.032 4.650 0.382 1 1 2324 . 24 1 1 A 206 206 VAL C C 212 174.500 175.243 -0.743 1 1 2325 . 24 1 1 A 206 206 VAL CA C 212 58.764 61.157 -2.393 1 1 2326 . 24 1 1 A 206 206 VAL CB C 212 30.512 35.903 -5.391 1 1 2329 . 24 1 1 A 206 206 VAL N N 212 117.101 123.376 -6.275 1 1 2330 . 24 1 1 A 207 207 LEU H H 213 8.961 8.199 0.762 1 1 2331 . 24 1 1 A 207 207 LEU HA H 213 5.312 4.602 0.710 1 1 2341 . 24 1 1 A 207 207 LEU C C 213 175.520 175.636 -0.116 1 1 2342 . 24 1 1 A 207 207 LEU CA C 213 52.630 54.445 -1.815 1 1 2343 . 24 1 1 A 207 207 LEU CB C 213 45.567 42.365 3.202 1 1 2347 . 24 1 1 A 207 207 LEU N N 213 124.185 127.741 -3.556 1 1 2348 . 24 1 1 A 208 208 TYR H H 214 8.836 8.709 0.127 1 1 2349 . 24 1 1 A 208 208 TYR HA H 214 4.766 4.875 -0.109 1 1 2356 . 24 1 1 A 208 208 TYR C C 214 175.964 174.597 1.367 1 1 2357 . 24 1 1 A 208 208 TYR CA C 214 56.943 57.861 -0.918 1 1 2358 . 24 1 1 A 208 208 TYR CB C 214 41.736 41.618 0.118 1 1 2359 . 24 1 1 A 208 208 TYR N N 214 120.202 120.480 -0.278 1 1 2360 . 24 1 1 A 209 209 ASN H H 215 9.292 9.348 -0.056 1 1 2361 . 24 1 1 A 209 209 ASN HA H 215 4.001 4.328 -0.327 1 1 2366 . 24 1 1 A 209 209 ASN C C 215 174.336 174.326 0.010 1 1 2367 . 24 1 1 A 209 209 ASN CA C 215 53.923 54.141 -0.218 1 1 2368 . 24 1 1 A 209 209 ASN CB C 215 36.468 37.144 -0.676 1 1 2369 . 24 1 1 A 209 209 ASN N N 215 129.805 126.023 3.782 1 1 2371 . 24 1 1 A 210 210 GLN H H 216 8.614 8.454 0.160 1 1 2372 . 24 1 1 A 210 210 GLN HA H 216 3.453 3.820 -0.367 1 1 2379 . 24 1 1 A 210 210 GLN C C 216 173.521 174.827 -1.306 1 1 2380 . 24 1 1 A 210 210 GLN CA C 216 57.881 57.228 0.653 1 1 2381 . 24 1 1 A 210 210 GLN CB C 216 26.089 26.639 -0.550 1 1 2383 . 24 1 1 A 210 210 GLN N N 216 106.396 110.007 -3.611 1 1 2385 . 24 1 1 A 211 211 ALA H H 217 7.657 7.544 0.113 1 1 2386 . 24 1 1 A 211 211 ALA HA H 217 4.608 4.544 0.064 1 1 2390 . 24 1 1 A 211 211 ALA C C 217 176.432 176.745 -0.313 1 1 2391 . 24 1 1 A 211 211 ALA CA C 217 50.786 51.105 -0.319 1 1 2392 . 24 1 1 A 211 211 ALA CB C 217 20.499 20.586 -0.087 1 1 2393 . 24 1 1 A 211 211 ALA N N 217 123.338 118.536 4.802 1 1 2394 . 24 1 1 A 212 212 GLU H H 218 8.712 8.704 0.008 1 1 2395 . 24 1 1 A 212 212 GLU HA H 218 4.525 4.220 0.305 1 1 2400 . 24 1 1 A 212 212 GLU C C 218 177.924 174.679 3.245 1 1 2401 . 24 1 1 A 212 212 GLU CA C 218 57.550 58.406 -0.856 1 1 2402 . 24 1 1 A 212 212 GLU CB C 218 28.811 29.038 -0.227 1 1 2404 . 24 1 1 A 212 212 GLU N N 218 122.631 117.025 5.606 1 1 2405 . 24 1 1 A 213 213 LYS H H 219 8.835 8.320 0.515 1 1 2406 . 24 1 1 A 213 213 LYS HA H 219 4.612 4.729 -0.117 1 1 2415 . 24 1 1 A 213 213 LYS C C 219 173.786 175.182 -1.396 1 1 2416 . 24 1 1 A 213 213 LYS CA C 219 53.115 55.602 -2.487 1 1 2417 . 24 1 1 A 213 213 LYS CB C 219 34.180 35.336 -1.156 1 1 2421 . 24 1 1 A 213 213 LYS N N 219 126.870 121.112 5.758 1 1 2422 . 24 1 1 A 214 214 GLY H H 220 7.929 9.449 -1.520 1 1 2423 . 24 1 1 A 214 214 GLY HA2 H 220 5.469 4.219 1.250 1 1 2424 . 24 1 1 A 214 214 GLY HA3 H 220 3.719 4.243 -0.524 1 1 2425 . 24 1 1 A 214 214 GLY C C 220 173.926 172.977 0.949 1 1 2426 . 24 1 1 A 214 214 GLY CA C 220 44.536 44.302 0.234 1 1 2427 . 24 1 1 A 214 214 GLY N N 220 107.019 114.284 -7.265 1 1 2428 . 24 1 1 A 215 215 SER H H 221 8.678 8.711 -0.033 1 1 2429 . 24 1 1 A 215 215 SER HA H 221 5.460 5.489 -0.029 1 1 2432 . 24 1 1 A 215 215 SER C C 221 171.043 173.016 -1.973 1 1 2433 . 24 1 1 A 215 215 SER CA C 221 56.810 56.983 -0.173 1 1 2434 . 24 1 1 A 215 215 SER CB C 221 66.671 66.551 0.120 1 1 2435 . 24 1 1 A 215 215 SER N N 221 117.334 113.684 3.650 1 1 2436 . 24 1 1 A 216 216 TYR H H 222 8.958 8.965 -0.007 1 1 2437 . 24 1 1 A 216 216 TYR HA H 222 5.389 5.664 -0.275 1 1 2445 . 24 1 1 A 216 216 TYR C C 222 172.789 172.745 0.044 1 1 2446 . 24 1 1 A 216 216 TYR CA C 222 55.819 55.614 0.205 1 1 2447 . 24 1 1 A 216 216 TYR CB C 222 41.681 42.242 -0.561 1 1 2448 . 24 1 1 A 216 216 TYR N N 222 117.645 119.048 -1.403 1 1 2449 . 24 1 1 A 217 217 SER H H 223 8.837 9.251 -0.414 1 1 2450 . 24 1 1 A 217 217 SER HA H 223 5.165 5.250 -0.085 1 1 2453 . 24 1 1 A 217 217 SER C C 223 173.125 172.944 0.181 1 1 2454 . 24 1 1 A 217 217 SER CA C 223 56.600 56.614 -0.014 1 1 2455 . 24 1 1 A 217 217 SER CB C 223 64.500 65.109 -0.609 1 1 2456 . 24 1 1 A 217 217 SER N N 223 115.593 115.746 -0.153 1 1 2457 . 24 1 1 A 218 218 LEU H H 224 9.299 8.465 0.834 1 1 2458 . 24 1 1 A 218 218 LEU HA H 224 4.748 5.040 -0.292 1 1 2468 . 24 1 1 A 218 218 LEU C C 224 175.567 175.135 0.432 1 1 2469 . 24 1 1 A 218 218 LEU CA C 224 53.138 53.315 -0.177 1 1 2470 . 24 1 1 A 218 218 LEU CB C 224 46.255 45.922 0.333 1 1 2474 . 24 1 1 A 218 218 LEU N N 224 123.523 122.030 1.493 1 1 2475 . 24 1 1 A 219 219 GLY H H 225 9.041 8.411 0.630 1 1 2476 . 24 1 1 A 219 219 GLY HA2 H 225 4.620 3.914 0.706 1 1 2477 . 24 1 1 A 219 219 GLY HA3 H 225 3.413 4.120 -0.707 1 1 2478 . 24 1 1 A 219 219 GLY C C 225 171.514 171.059 0.455 1 1 2479 . 24 1 1 A 219 219 GLY CA C 225 43.777 43.498 0.279 1 1 2480 . 24 1 1 A 219 219 GLY N N 225 108.999 106.336 2.663 1 1 2481 . 24 1 1 A 220 220 ILE H H 226 6.853 8.591 -1.738 1 1 2482 . 24 1 1 A 220 220 ILE HA H 226 4.615 4.374 0.241 1 1 2492 . 24 1 1 A 220 220 ILE C C 226 174.750 174.941 -0.191 1 1 2493 . 24 1 1 A 220 220 ILE CA C 226 60.421 60.250 0.171 1 1 2494 . 24 1 1 A 220 220 ILE CB C 226 38.213 38.560 -0.347 1 1 2498 . 24 1 1 A 220 220 ILE N N 226 120.223 121.407 -1.184 1 1 2499 . 24 1 1 A 221 221 PHE H H 227 9.392 8.628 0.764 1 1 2500 . 24 1 1 A 221 221 PHE HA H 227 4.770 5.339 -0.569 1 1 2507 . 24 1 1 A 221 221 PHE C C 227 175.093 175.307 -0.214 1 1 2508 . 24 1 1 A 221 221 PHE CA C 227 58.053 56.437 1.616 1 1 2509 . 24 1 1 A 221 221 PHE CB C 227 42.505 42.145 0.360 1 1 2510 . 24 1 1 A 221 221 PHE N N 227 128.229 126.477 1.752 1 1 2511 . 24 1 1 A 222 222 GLY H H 228 8.675 8.814 -0.139 1 1 2512 . 24 1 1 A 222 222 GLY HA2 H 228 3.174 4.110 -0.936 1 1 2513 . 24 1 1 A 222 222 GLY HA3 H 228 4.311 4.155 0.156 1 1 2514 . 24 1 1 A 222 222 GLY CA C 228 42.438 44.646 -2.208 1 1 2515 . 24 1 1 A 222 222 GLY N N 228 104.634 111.113 -6.479 1 1 2516 . 24 1 1 A 223 223 GLY CA C 229 46.870 47.214 -0.344 1 1 2517 . 24 1 1 A 224 224 LYS H H 230 8.366 7.585 0.781 1 1 2518 . 24 1 1 A 224 224 LYS HA H 230 4.305 4.550 -0.245 1 1 2523 . 24 1 1 A 224 224 LYS C C 230 174.717 175.584 -0.867 1 1 2524 . 24 1 1 A 224 224 LYS CA C 230 54.119 54.771 -0.652 1 1 2525 . 24 1 1 A 224 224 LYS CB C 230 30.821 32.536 -1.715 1 1 2527 . 24 1 1 A 224 224 LYS N N 230 118.720 118.132 0.588 1 1 2528 . 24 1 1 A 225 225 ALA H H 231 7.633 8.065 -0.432 1 1 2529 . 24 1 1 A 225 225 ALA HA H 231 3.810 4.088 -0.278 1 1 2533 . 24 1 1 A 225 225 ALA C C 231 176.702 177.031 -0.329 1 1 2534 . 24 1 1 A 225 225 ALA CA C 231 51.868 53.085 -1.217 1 1 2535 . 24 1 1 A 225 225 ALA CB C 231 16.117 17.334 -1.217 1 1 2536 . 24 1 1 A 225 225 ALA N N 231 118.077 119.907 -1.830 1 1 2537 . 24 1 1 A 226 226 GLN H H 232 9.387 7.861 1.526 1 1 2538 . 24 1 1 A 226 226 GLN HA H 232 3.877 4.087 -0.210 1 1 2543 . 24 1 1 A 226 226 GLN C C 232 175.992 176.079 -0.087 1 1 2544 . 24 1 1 A 226 226 GLN CA C 232 60.989 57.912 3.077 1 1 2545 . 24 1 1 A 226 226 GLN CB C 232 28.695 28.644 0.051 1 1 2547 . 24 1 1 A 226 226 GLN N N 232 117.991 115.475 2.516 1 1 2548 . 24 1 1 A 227 227 GLU H H 233 8.825 7.577 1.248 1 1 2549 . 24 1 1 A 227 227 GLU HA H 233 5.411 4.384 1.027 1 1 2554 . 24 1 1 A 227 227 GLU C C 233 174.939 173.546 1.393 1 1 2555 . 24 1 1 A 227 227 GLU CA C 233 54.289 55.327 -1.038 1 1 2556 . 24 1 1 A 227 227 GLU CB C 233 33.797 31.730 2.067 1 1 2558 . 24 1 1 A 227 227 GLU N N 233 116.638 114.749 1.889 1 1 2559 . 24 1 1 A 228 228 VAL H H 234 8.343 8.352 -0.009 1 1 2560 . 24 1 1 A 228 228 VAL HA H 234 5.544 4.711 0.833 1 1 2568 . 24 1 1 A 228 228 VAL C C 234 174.839 174.219 0.620 1 1 2569 . 24 1 1 A 228 228 VAL CA C 234 57.867 59.695 -1.828 1 1 2570 . 24 1 1 A 228 228 VAL CB C 234 35.379 35.477 -0.098 1 1 2573 . 24 1 1 A 228 228 VAL N N 234 109.304 114.930 -5.626 1 1 2574 . 24 1 1 A 229 229 ALA H H 235 8.475 8.506 -0.031 1 1 2575 . 24 1 1 A 229 229 ALA HA H 235 4.937 5.079 -0.142 1 1 2579 . 24 1 1 A 229 229 ALA C C 235 176.417 175.940 0.477 1 1 2580 . 24 1 1 A 229 229 ALA CA C 235 51.303 50.986 0.317 1 1 2581 . 24 1 1 A 229 229 ALA CB C 235 20.301 23.389 -3.088 1 1 2582 . 24 1 1 A 229 229 ALA N N 235 120.653 124.150 -3.497 1 1 2583 . 24 1 1 A 230 230 GLY H H 236 9.361 8.101 1.260 1 1 2584 . 24 1 1 A 230 230 GLY HA2 H 236 5.075 4.250 0.825 1 1 2585 . 24 1 1 A 230 230 GLY HA3 H 236 4.017 4.307 -0.290 1 1 2586 . 24 1 1 A 230 230 GLY C C 236 170.130 171.987 -1.857 1 1 2587 . 24 1 1 A 230 230 GLY CA C 236 46.221 46.036 0.185 1 1 2588 . 24 1 1 A 230 230 GLY N N 236 111.104 106.125 4.979 1 1 2589 . 24 1 1 A 231 231 SER H H 237 8.889 8.928 -0.039 1 1 2590 . 24 1 1 A 231 231 SER HA H 237 5.276 5.257 0.019 1 1 2593 . 24 1 1 A 231 231 SER C C 237 171.360 172.418 -1.058 1 1 2594 . 24 1 1 A 231 231 SER CA C 237 56.498 57.514 -1.016 1 1 2595 . 24 1 1 A 231 231 SER CB C 237 66.398 65.850 0.548 1 1 2596 . 24 1 1 A 231 231 SER N N 237 115.308 115.744 -0.436 1 1 2597 . 24 1 1 A 232 232 ALA H H 238 9.083 9.185 -0.102 1 1 2598 . 24 1 1 A 232 232 ALA HA H 238 5.148 5.495 -0.347 1 1 2602 . 24 1 1 A 232 232 ALA C C 238 174.537 175.081 -0.544 1 1 2603 . 24 1 1 A 232 232 ALA CA C 238 49.904 50.440 -0.536 1 1 2604 . 24 1 1 A 232 232 ALA CB C 238 21.729 22.879 -1.150 1 1 2605 . 24 1 1 A 232 232 ALA N N 238 119.911 123.704 -3.793 1 1 2606 . 24 1 1 A 233 233 GLU H H 239 9.015 8.941 0.074 1 1 2607 . 24 1 1 A 233 233 GLU HA H 239 4.631 5.215 -0.584 1 1 2612 . 24 1 1 A 233 233 GLU C C 239 174.122 174.417 -0.295 1 1 2613 . 24 1 1 A 233 233 GLU CA C 239 54.786 54.824 -0.038 1 1 2614 . 24 1 1 A 233 233 GLU CB C 239 31.355 33.660 -2.305 1 1 2616 . 24 1 1 A 233 233 GLU N N 239 122.744 122.023 0.721 1 1 2617 . 24 1 1 A 234 234 VAL H H 240 8.792 8.775 0.017 1 1 2618 . 24 1 1 A 234 234 VAL HA H 240 4.394 4.754 -0.360 1 1 2623 . 24 1 1 A 234 234 VAL C C 240 174.833 173.443 1.390 1 1 2624 . 24 1 1 A 234 234 VAL CA C 240 61.427 59.520 1.907 1 1 2625 . 24 1 1 A 234 234 VAL CB C 240 33.863 35.759 -1.896 1 1 2627 . 24 1 1 A 234 234 VAL N N 240 124.203 123.692 0.511 1 1 2628 . 24 1 1 A 235 235 LYS H H 241 8.841 8.161 0.680 1 1 2629 . 24 1 1 A 235 235 LYS HA H 241 3.981 4.620 -0.639 1 1 2638 . 24 1 1 A 235 235 LYS C C 241 174.548 175.372 -0.824 1 1 2639 . 24 1 1 A 235 235 LYS CA C 241 55.955 55.199 0.756 1 1 2640 . 24 1 1 A 235 235 LYS CB C 241 32.100 32.504 -0.404 1 1 2644 . 24 1 1 A 235 235 LYS N N 241 127.554 127.528 0.026 1 1 2645 . 24 1 1 A 236 236 THR H H 242 7.212 8.325 -1.113 1 1 2646 . 24 1 1 A 236 236 THR HA H 242 4.355 4.705 -0.350 1 1 2651 . 24 1 1 A 236 236 THR C C 242 176.482 176.290 0.192 1 1 2652 . 24 1 1 A 236 236 THR CA C 242 61.054 61.815 -0.761 1 1 2653 . 24 1 1 A 236 236 THR CB C 242 72.642 69.813 2.829 1 1 2655 . 24 1 1 A 236 236 THR N N 242 114.463 121.295 -6.832 1 1 2656 . 24 1 1 A 237 237 VAL H H 243 9.582 8.822 0.760 1 1 2657 . 24 1 1 A 237 237 VAL HA H 243 3.849 3.822 0.027 1 1 2665 . 24 1 1 A 237 237 VAL C C 243 176.201 176.587 -0.386 1 1 2666 . 24 1 1 A 237 237 VAL CA C 243 64.701 64.938 -0.237 1 1 2667 . 24 1 1 A 237 237 VAL CB C 243 31.028 31.355 -0.327 1 1 2669 . 24 1 1 A 237 237 VAL N N 243 120.670 123.828 -3.158 1 1 2670 . 24 1 1 A 238 238 ASN H H 244 7.572 7.936 -0.364 1 1 2671 . 24 1 1 A 238 238 ASN HA H 244 4.882 4.821 0.061 1 1 2676 . 24 1 1 A 238 238 ASN C C 244 173.835 175.405 -1.570 1 1 2677 . 24 1 1 A 238 238 ASN CA C 244 52.022 53.055 -1.033 1 1 2678 . 24 1 1 A 238 238 ASN CB C 244 39.176 39.152 0.024 1 1 2679 . 24 1 1 A 238 238 ASN N N 244 115.638 118.344 -2.706 1 1 2681 . 24 1 1 A 239 239 GLY H H 245 7.362 7.931 -0.569 1 1 2682 . 24 1 1 A 239 239 GLY HA2 H 245 4.539 4.033 0.506 1 1 2683 . 24 1 1 A 239 239 GLY HA3 H 245 3.728 4.044 -0.316 1 1 2684 . 24 1 1 A 239 239 GLY C C 245 174.343 173.086 1.257 1 1 2685 . 24 1 1 A 239 239 GLY CA C 245 43.316 43.931 -0.615 1 1 2686 . 24 1 1 A 239 239 GLY N N 245 107.650 106.498 1.152 1 1 2687 . 24 1 1 A 240 240 ILE H H 246 8.672 8.255 0.417 1 1 2688 . 24 1 1 A 240 240 ILE HA H 246 4.351 4.368 -0.017 1 1 2698 . 24 1 1 A 240 240 ILE C C 246 176.899 174.824 2.075 1 1 2699 . 24 1 1 A 240 240 ILE CA C 246 61.120 61.679 -0.559 1 1 2700 . 24 1 1 A 240 240 ILE CB C 246 36.906 38.572 -1.666 1 1 2704 . 24 1 1 A 240 240 ILE N N 246 122.673 121.067 1.606 1 1 2705 . 24 1 1 A 241 241 ARG H H 247 9.233 8.973 0.260 1 1 2706 . 24 1 1 A 241 241 ARG HA H 247 4.370 5.161 -0.791 1 1 2713 . 24 1 1 A 241 241 ARG C C 247 173.925 174.739 -0.814 1 1 2714 . 24 1 1 A 241 241 ARG CA C 247 53.461 54.233 -0.772 1 1 2715 . 24 1 1 A 241 241 ARG CB C 247 31.910 33.357 -1.447 1 1 2718 . 24 1 1 A 241 241 ARG N N 247 128.497 127.845 0.652 1 1 2719 . 24 1 1 A 242 242 HIS H H 248 8.519 8.892 -0.373 1 1 2720 . 24 1 1 A 242 242 HIS HA H 248 5.323 5.257 0.066 1 1 2725 . 24 1 1 A 242 242 HIS C C 248 174.635 174.541 0.094 1 1 2726 . 24 1 1 A 242 242 HIS CA C 248 55.759 54.716 1.043 1 1 2727 . 24 1 1 A 242 242 HIS CB C 248 32.921 32.466 0.455 1 1 2728 . 24 1 1 A 242 242 HIS N N 248 121.131 120.601 0.530 1 1 2729 . 24 1 1 A 243 243 ILE H H 249 8.723 9.141 -0.418 1 1 2730 . 24 1 1 A 243 243 ILE HA H 249 4.522 4.744 -0.222 1 1 2740 . 24 1 1 A 243 243 ILE C C 249 176.188 175.511 0.677 1 1 2741 . 24 1 1 A 243 243 ILE CA C 249 58.524 59.753 -1.229 1 1 2742 . 24 1 1 A 243 243 ILE CB C 249 41.977 42.269 -0.292 1 1 2746 . 24 1 1 A 243 243 ILE N N 249 119.438 122.890 -3.452 1 1 2747 . 24 1 1 A 244 244 GLY H H 250 9.351 8.705 0.646 1 1 2748 . 24 1 1 A 244 244 GLY HA2 H 250 3.707 3.057 0.650 1 1 2749 . 24 1 1 A 244 244 GLY HA3 H 250 2.119 3.931 -1.812 1 1 2750 . 24 1 1 A 244 244 GLY C C 250 170.981 171.993 -1.012 1 1 2751 . 24 1 1 A 244 244 GLY CA C 250 44.178 44.163 0.015 1 1 2752 . 24 1 1 A 244 244 GLY N N 250 113.700 113.428 0.272 1 1 2753 . 24 1 1 A 245 245 LEU H H 251 7.833 8.507 -0.674 1 1 2754 . 24 1 1 A 245 245 LEU HA H 251 4.717 5.002 -0.285 1 1 2764 . 24 1 1 A 245 245 LEU C C 251 174.501 176.246 -1.745 1 1 2765 . 24 1 1 A 245 245 LEU CA C 251 52.508 53.386 -0.878 1 1 2766 . 24 1 1 A 245 245 LEU CB C 251 46.764 44.418 2.346 1 1 2770 . 24 1 1 A 245 245 LEU N N 251 120.798 123.079 -2.281 1 1 2771 . 24 1 1 A 246 246 ALA H H 252 7.906 8.650 -0.744 1 1 2772 . 24 1 1 A 246 246 ALA HA H 252 4.589 4.854 -0.265 1 1 2776 . 24 1 1 A 246 246 ALA C C 252 173.363 175.812 -2.449 1 1 2777 . 24 1 1 A 246 246 ALA CA C 252 51.546 51.832 -0.286 1 1 2778 . 24 1 1 A 246 246 ALA CB C 252 21.524 19.848 1.676 1 1 2779 . 24 1 1 A 246 246 ALA N N 252 122.885 124.695 -1.810 1 1 2780 . 24 1 1 A 247 247 ALA H H 253 9.041 9.079 -0.038 1 1 2781 . 24 1 1 A 247 247 ALA HA H 253 4.726 5.450 -0.724 1 1 2785 . 24 1 1 A 247 247 ALA C C 253 174.897 175.867 -0.970 1 1 2786 . 24 1 1 A 247 247 ALA CA C 253 51.723 50.247 1.476 1 1 2787 . 24 1 1 A 247 247 ALA CB C 253 22.967 20.428 2.539 1 1 2788 . 24 1 1 A 247 247 ALA N N 253 122.967 126.176 -3.209 1 1 2789 . 24 1 1 A 248 248 LYS H H 254 8.171 8.664 -0.493 1 1 2790 . 24 1 1 A 248 248 LYS HA H 254 5.731 4.904 0.827 1 1 2797 . 24 1 1 A 248 248 LYS C C 254 175.094 175.668 -0.574 1 1 2798 . 24 1 1 A 248 248 LYS CA C 254 53.866 54.470 -0.604 1 1 2799 . 24 1 1 A 248 248 LYS CB C 254 36.312 35.888 0.424 1 1 2802 . 24 1 1 A 248 248 LYS N N 254 115.734 119.977 -4.243 1 1 60 . 25 1 1 A 9 9 GLY H H 15 8.346 8.686 -0.340 1 1 61 . 25 1 1 A 9 9 GLY HA2 H 15 4.021 3.870 0.151 1 1 62 . 25 1 1 A 9 9 GLY HA3 H 15 3.772 3.872 -0.100 1 1 63 . 25 1 1 A 9 9 GLY C C 15 174.259 175.479 -1.220 1 1 64 . 25 1 1 A 9 9 GLY CA C 15 45.581 46.378 -0.797 1 1 65 . 25 1 1 A 9 9 GLY N N 15 107.368 111.291 -3.923 1 1 66 . 25 1 1 A 10 10 LEU H H 16 7.224 7.818 -0.594 1 1 67 . 25 1 1 A 10 10 LEU HA H 16 3.736 4.085 -0.349 1 1 77 . 25 1 1 A 10 10 LEU C C 16 178.202 179.240 -1.038 1 1 78 . 25 1 1 A 10 10 LEU CA C 16 57.915 57.251 0.664 1 1 79 . 25 1 1 A 10 10 LEU CB C 16 40.686 41.215 -0.529 1 1 83 . 25 1 1 A 10 10 LEU N N 16 117.616 122.613 -4.997 1 1 84 . 25 1 1 A 11 11 ALA H H 17 7.860 7.950 -0.090 1 1 85 . 25 1 1 A 11 11 ALA HA H 17 3.937 4.044 -0.107 1 1 89 . 25 1 1 A 11 11 ALA C C 17 181.090 179.212 1.878 1 1 90 . 25 1 1 A 11 11 ALA CA C 17 54.860 55.286 -0.426 1 1 91 . 25 1 1 A 11 11 ALA CB C 17 17.248 17.829 -0.581 1 1 92 . 25 1 1 A 11 11 ALA N N 17 117.757 122.121 -4.364 1 1 93 . 25 1 1 A 12 12 ASP H H 18 8.017 8.285 -0.268 1 1 94 . 25 1 1 A 12 12 ASP HA H 18 4.223 4.340 -0.117 1 1 97 . 25 1 1 A 12 12 ASP C C 18 177.941 178.250 -0.309 1 1 98 . 25 1 1 A 12 12 ASP CA C 18 56.341 57.087 -0.746 1 1 99 . 25 1 1 A 12 12 ASP CB C 18 39.312 41.012 -1.700 1 1 100 . 25 1 1 A 12 12 ASP N N 18 118.410 118.781 -0.371 1 1 101 . 25 1 1 A 13 13 ALA H H 19 8.205 8.141 0.064 1 1 102 . 25 1 1 A 13 13 ALA HA H 19 3.952 4.173 -0.221 1 1 106 . 25 1 1 A 13 13 ALA C C 19 178.856 177.960 0.896 1 1 107 . 25 1 1 A 13 13 ALA CA C 19 55.039 54.140 0.899 1 1 108 . 25 1 1 A 13 13 ALA CB C 19 17.779 18.481 -0.702 1 1 109 . 25 1 1 A 13 13 ALA N N 19 121.480 121.482 -0.002 1 1 110 . 25 1 1 A 14 14 LEU H H 20 7.217 7.091 0.126 1 1 111 . 25 1 1 A 14 14 LEU HA H 20 4.258 4.341 -0.083 1 1 121 . 25 1 1 A 14 14 LEU C C 20 177.544 177.702 -0.158 1 1 122 . 25 1 1 A 14 14 LEU CA C 20 55.511 54.965 0.546 1 1 123 . 25 1 1 A 14 14 LEU CB C 20 42.176 42.291 -0.115 1 1 126 . 25 1 1 A 14 14 LEU N N 20 113.410 116.119 -2.709 1 1 127 . 25 1 1 A 15 15 THR H H 21 7.624 7.799 -0.175 1 1 128 . 25 1 1 A 15 15 THR HA H 21 4.394 4.694 -0.300 1 1 133 . 25 1 1 A 15 15 THR C C 21 174.959 174.343 0.616 1 1 134 . 25 1 1 A 15 15 THR CA C 21 61.733 61.475 0.258 1 1 135 . 25 1 1 A 15 15 THR CB C 21 71.514 70.619 0.895 1 1 137 . 25 1 1 A 15 15 THR N N 21 106.072 105.848 0.224 1 1 138 . 25 1 1 A 16 16 ALA H H 22 8.932 7.994 0.938 1 1 139 . 25 1 1 A 16 16 ALA HA H 22 4.624 4.799 -0.175 1 1 143 . 25 1 1 A 16 16 ALA C C 22 175.978 175.091 0.887 1 1 144 . 25 1 1 A 16 16 ALA CA C 22 50.681 50.000 0.681 1 1 145 . 25 1 1 A 16 16 ALA CB C 22 18.728 22.168 -3.440 1 1 146 . 25 1 1 A 16 16 ALA N N 22 127.789 121.610 6.179 1 1 147 . 25 1 1 A 17 17 PRO HA H 23 4.430 4.569 -0.139 1 1 154 . 25 1 1 A 17 17 PRO CA C 23 61.497 62.373 -0.876 1 1 155 . 25 1 1 A 17 17 PRO CB C 23 31.775 32.978 -1.203 1 1 158 . 25 1 1 A 18 18 LEU H H 24 8.154 7.998 0.156 1 1 159 . 25 1 1 A 18 18 LEU HA H 24 3.894 4.789 -0.895 1 1 169 . 25 1 1 A 18 18 LEU C C 24 176.447 176.162 0.285 1 1 170 . 25 1 1 A 18 18 LEU CA C 24 55.510 53.217 2.293 1 1 171 . 25 1 1 A 18 18 LEU CB C 24 40.921 42.862 -1.941 1 1 175 . 25 1 1 A 18 18 LEU N N 24 121.010 121.112 -0.102 1 1 176 . 25 1 1 A 19 19 ASP H H 25 8.758 8.649 0.109 1 1 177 . 25 1 1 A 19 19 ASP HA H 25 4.626 4.716 -0.090 1 1 180 . 25 1 1 A 19 19 ASP C C 25 176.425 176.591 -0.166 1 1 181 . 25 1 1 A 19 19 ASP CA C 25 52.688 54.637 -1.949 1 1 182 . 25 1 1 A 19 19 ASP CB C 25 42.819 41.483 1.336 1 1 183 . 25 1 1 A 19 19 ASP N N 25 124.654 119.813 4.841 1 1 184 . 25 1 1 A 20 20 HIS HA H 26 4.272 4.437 -0.165 1 1 189 . 25 1 1 A 20 20 HIS CA C 26 58.100 58.372 -0.272 1 1 190 . 25 1 1 A 20 20 HIS CB C 26 29.200 29.870 -0.670 1 1 191 . 25 1 1 A 21 21 LYS H H 27 8.348 7.996 0.352 1 1 192 . 25 1 1 A 21 21 LYS HA H 27 3.970 3.992 -0.022 1 1 201 . 25 1 1 A 21 21 LYS C C 27 177.393 177.096 0.297 1 1 202 . 25 1 1 A 21 21 LYS CA C 27 56.320 59.471 -3.151 1 1 203 . 25 1 1 A 21 21 LYS CB C 27 30.950 32.356 -1.406 1 1 206 . 25 1 1 A 21 21 LYS N N 27 118.419 118.713 -0.294 1 1 207 . 25 1 1 A 22 22 ASP H H 28 7.451 7.896 -0.445 1 1 208 . 25 1 1 A 22 22 ASP HA H 28 4.307 4.924 -0.617 1 1 211 . 25 1 1 A 22 22 ASP C C 28 176.212 175.880 0.332 1 1 212 . 25 1 1 A 22 22 ASP CA C 28 54.164 53.444 0.720 1 1 213 . 25 1 1 A 22 22 ASP CB C 28 40.091 42.075 -1.984 1 1 214 . 25 1 1 A 22 22 ASP N N 28 120.045 115.661 4.384 1 1 215 . 25 1 1 A 23 23 LYS H H 29 8.416 7.655 0.761 1 1 216 . 25 1 1 A 23 23 LYS HA H 29 3.962 4.333 -0.371 1 1 225 . 25 1 1 A 23 23 LYS C C 29 177.409 176.244 1.165 1 1 226 . 25 1 1 A 23 23 LYS CA C 29 56.254 55.871 0.383 1 1 227 . 25 1 1 A 23 23 LYS CB C 29 31.950 31.877 0.073 1 1 231 . 25 1 1 A 23 23 LYS N N 29 121.925 121.189 0.736 1 1 232 . 25 1 1 A 24 24 GLY H H 30 8.612 7.987 0.625 1 1 233 . 25 1 1 A 24 24 GLY HA2 H 30 3.655 3.777 -0.122 1 1 234 . 25 1 1 A 24 24 GLY HA3 H 30 3.519 3.965 -0.446 1 1 235 . 25 1 1 A 24 24 GLY CA C 30 44.788 44.057 0.731 1 1 236 . 25 1 1 A 24 24 GLY N N 30 111.487 107.518 3.969 1 1 237 . 25 1 1 A 25 25 LEU H H 31 8.054 8.262 -0.208 1 1 238 . 25 1 1 A 25 25 LEU HA H 31 3.770 4.347 -0.577 1 1 248 . 25 1 1 A 25 25 LEU CA C 31 55.906 54.497 1.409 1 1 249 . 25 1 1 A 25 25 LEU CB C 31 44.428 41.716 2.712 1 1 253 . 25 1 1 A 25 25 LEU N N 31 127.196 122.564 4.632 1 1 254 . 25 1 1 A 26 26 GLN H H 32 9.184 8.521 0.663 1 1 255 . 25 1 1 A 26 26 GLN HA H 32 3.437 4.292 -0.855 1 1 262 . 25 1 1 A 26 26 GLN C C 32 174.347 175.655 -1.308 1 1 263 . 25 1 1 A 26 26 GLN CA C 32 57.926 57.051 0.875 1 1 264 . 25 1 1 A 26 26 GLN CB C 32 27.721 28.868 -1.147 1 1 266 . 25 1 1 A 26 26 GLN N N 32 131.782 126.743 5.039 1 1 268 . 25 1 1 A 27 27 SER H H 33 7.240 7.542 -0.302 1 1 269 . 25 1 1 A 27 27 SER HA H 33 4.981 4.834 0.147 1 1 272 . 25 1 1 A 27 27 SER C C 33 171.111 172.117 -1.006 1 1 273 . 25 1 1 A 27 27 SER CA C 33 56.782 57.067 -0.285 1 1 274 . 25 1 1 A 27 27 SER CB C 33 64.611 65.261 -0.650 1 1 275 . 25 1 1 A 27 27 SER N N 33 108.936 113.976 -5.040 1 1 276 . 25 1 1 A 28 28 LEU H H 34 8.010 9.218 -1.208 1 1 277 . 25 1 1 A 28 28 LEU HA H 34 4.372 5.114 -0.742 1 1 287 . 25 1 1 A 28 28 LEU C C 34 174.697 175.292 -0.595 1 1 288 . 25 1 1 A 28 28 LEU CA C 34 53.332 53.286 0.046 1 1 289 . 25 1 1 A 28 28 LEU CB C 34 45.636 43.984 1.652 1 1 293 . 25 1 1 A 28 28 LEU N N 34 121.826 128.111 -6.285 1 1 294 . 25 1 1 A 29 29 THR H H 35 8.810 8.950 -0.140 1 1 295 . 25 1 1 A 29 29 THR HA H 35 4.046 4.860 -0.814 1 1 300 . 25 1 1 A 29 29 THR C C 35 172.792 173.594 -0.802 1 1 301 . 25 1 1 A 29 29 THR CA C 35 62.565 61.913 0.652 1 1 302 . 25 1 1 A 29 29 THR CB C 35 68.233 70.362 -2.129 1 1 304 . 25 1 1 A 29 29 THR N N 35 123.892 123.237 0.655 1 1 305 . 25 1 1 A 30 30 LEU H H 36 8.662 8.698 -0.036 1 1 306 . 25 1 1 A 30 30 LEU HA H 36 4.150 4.738 -0.588 1 1 316 . 25 1 1 A 30 30 LEU C C 36 174.707 176.392 -1.685 1 1 317 . 25 1 1 A 30 30 LEU CA C 36 53.789 54.112 -0.323 1 1 318 . 25 1 1 A 30 30 LEU CB C 36 40.562 41.833 -1.271 1 1 322 . 25 1 1 A 30 30 LEU N N 36 128.365 127.041 1.324 1 1 323 . 25 1 1 A 31 31 ASP H H 37 8.500 9.470 -0.970 1 1 324 . 25 1 1 A 31 31 ASP HA H 37 4.837 4.754 0.083 1 1 327 . 25 1 1 A 31 31 ASP CA C 37 54.657 55.514 -0.857 1 1 328 . 25 1 1 A 31 31 ASP CB C 37 43.089 42.699 0.390 1 1 329 . 25 1 1 A 31 31 ASP N N 37 123.194 126.109 -2.915 1 1 330 . 25 1 1 A 32 32 GLN H H 38 10.453 7.953 2.500 1 1 331 . 25 1 1 A 32 32 GLN HA H 38 3.808 4.753 -0.945 1 1 338 . 25 1 1 A 32 32 GLN C C 38 178.535 175.234 3.301 1 1 339 . 25 1 1 A 32 32 GLN CA C 38 56.284 54.395 1.889 1 1 340 . 25 1 1 A 32 32 GLN CB C 38 28.175 30.325 -2.150 1 1 342 . 25 1 1 A 32 32 GLN N N 38 120.692 118.541 2.151 1 1 344 . 25 1 1 A 33 33 SER H H 39 8.523 8.753 -0.230 1 1 345 . 25 1 1 A 33 33 SER HA H 39 4.081 4.638 -0.557 1 1 348 . 25 1 1 A 33 33 SER C C 39 171.792 173.832 -2.040 1 1 349 . 25 1 1 A 33 33 SER CA C 39 61.436 58.541 2.895 1 1 350 . 25 1 1 A 33 33 SER CB C 39 63.008 64.925 -1.917 1 1 351 . 25 1 1 A 33 33 SER N N 39 111.712 119.963 -8.251 1 1 352 . 25 1 1 A 34 34 VAL H H 40 6.691 7.830 -1.139 1 1 353 . 25 1 1 A 34 34 VAL HA H 40 3.890 4.523 -0.633 1 1 361 . 25 1 1 A 34 34 VAL C C 40 172.251 174.496 -2.245 1 1 362 . 25 1 1 A 34 34 VAL CA C 40 60.415 59.623 0.792 1 1 363 . 25 1 1 A 34 34 VAL CB C 40 32.306 35.339 -3.033 1 1 366 . 25 1 1 A 34 34 VAL N N 40 115.971 119.155 -3.184 1 1 367 . 25 1 1 A 35 35 ARG H H 41 8.184 8.588 -0.404 1 1 368 . 25 1 1 A 35 35 ARG HA H 41 4.176 4.357 -0.181 1 1 375 . 25 1 1 A 35 35 ARG C C 41 176.886 177.840 -0.954 1 1 376 . 25 1 1 A 35 35 ARG CA C 41 55.599 55.849 -0.250 1 1 377 . 25 1 1 A 35 35 ARG CB C 41 30.569 31.313 -0.744 1 1 380 . 25 1 1 A 35 35 ARG N N 41 125.397 124.839 0.558 1 1 381 . 25 1 1 A 36 36 LYS H H 42 8.493 8.797 -0.304 1 1 382 . 25 1 1 A 36 36 LYS HA H 42 3.778 4.040 -0.262 1 1 391 . 25 1 1 A 36 36 LYS C C 42 176.596 176.932 -0.336 1 1 392 . 25 1 1 A 36 36 LYS CA C 42 58.687 58.570 0.117 1 1 393 . 25 1 1 A 36 36 LYS CB C 42 31.959 32.081 -0.122 1 1 397 . 25 1 1 A 36 36 LYS N N 42 119.360 122.564 -3.204 1 1 398 . 25 1 1 A 37 37 ASN H H 43 8.513 7.622 0.891 1 1 399 . 25 1 1 A 37 37 ASN HA H 43 4.438 4.793 -0.355 1 1 404 . 25 1 1 A 37 37 ASN C C 43 173.867 175.526 -1.659 1 1 405 . 25 1 1 A 37 37 ASN CA C 43 55.127 54.313 0.814 1 1 406 . 25 1 1 A 37 37 ASN CB C 43 37.071 40.017 -2.946 1 1 407 . 25 1 1 A 37 37 ASN N N 43 115.488 115.640 -0.152 1 1 409 . 25 1 1 A 38 38 GLU H H 44 7.793 7.755 0.038 1 1 410 . 25 1 1 A 38 38 GLU HA H 44 4.772 4.371 0.401 1 1 413 . 25 1 1 A 38 38 GLU C C 44 175.262 176.175 -0.913 1 1 414 . 25 1 1 A 38 38 GLU CA C 44 54.808 56.460 -1.652 1 1 415 . 25 1 1 A 38 38 GLU CB C 44 32.321 29.821 2.500 1 1 416 . 25 1 1 A 38 38 GLU N N 44 118.734 117.750 0.984 1 1 417 . 25 1 1 A 39 39 LYS H H 45 8.706 8.417 0.289 1 1 418 . 25 1 1 A 39 39 LYS HA H 45 4.606 4.408 0.198 1 1 427 . 25 1 1 A 39 39 LYS C C 45 174.312 176.502 -2.190 1 1 428 . 25 1 1 A 39 39 LYS CA C 45 52.782 56.600 -3.818 1 1 429 . 25 1 1 A 39 39 LYS CB C 45 35.174 32.970 2.204 1 1 433 . 25 1 1 A 39 39 LYS N N 45 117.132 122.549 -5.417 1 1 434 . 25 1 1 A 40 40 LEU H H 46 9.085 8.837 0.248 1 1 435 . 25 1 1 A 40 40 LEU HA H 46 5.044 5.339 -0.295 1 1 442 . 25 1 1 A 40 40 LEU C C 46 173.778 174.357 -0.579 1 1 443 . 25 1 1 A 40 40 LEU CA C 46 52.590 52.987 -0.397 1 1 444 . 25 1 1 A 40 40 LEU CB C 46 44.855 45.977 -1.122 1 1 447 . 25 1 1 A 40 40 LEU N N 46 125.335 120.180 5.155 1 1 448 . 25 1 1 A 41 41 LYS H H 47 9.263 9.396 -0.133 1 1 449 . 25 1 1 A 41 41 LYS HA H 47 5.049 5.406 -0.357 1 1 458 . 25 1 1 A 41 41 LYS C C 47 175.616 176.134 -0.518 1 1 459 . 25 1 1 A 41 41 LYS CA C 47 53.864 54.549 -0.685 1 1 460 . 25 1 1 A 41 41 LYS CB C 47 32.986 35.853 -2.867 1 1 464 . 25 1 1 A 41 41 LYS N N 47 129.833 121.439 8.394 1 1 465 . 25 1 1 A 42 42 LEU H H 48 8.954 8.968 -0.014 1 1 466 . 25 1 1 A 42 42 LEU HA H 48 5.458 4.719 0.739 1 1 476 . 25 1 1 A 42 42 LEU C C 48 175.565 176.036 -0.471 1 1 477 . 25 1 1 A 42 42 LEU CA C 48 51.964 54.863 -2.899 1 1 478 . 25 1 1 A 42 42 LEU CB C 48 44.393 42.587 1.806 1 1 482 . 25 1 1 A 42 42 LEU N N 48 126.292 127.262 -0.970 1 1 483 . 25 1 1 A 43 43 ALA H H 49 8.804 8.338 0.466 1 1 484 . 25 1 1 A 43 43 ALA HA H 49 5.304 5.354 -0.050 1 1 488 . 25 1 1 A 43 43 ALA C C 49 176.301 175.853 0.448 1 1 489 . 25 1 1 A 43 43 ALA CA C 49 51.004 51.838 -0.834 1 1 490 . 25 1 1 A 43 43 ALA CB C 49 23.453 21.992 1.461 1 1 491 . 25 1 1 A 43 43 ALA N N 49 120.789 122.198 -1.409 1 1 492 . 25 1 1 A 44 44 ALA H H 50 8.117 8.764 -0.647 1 1 493 . 25 1 1 A 44 44 ALA HA H 50 4.485 4.568 -0.083 1 1 497 . 25 1 1 A 44 44 ALA C C 50 176.254 176.826 -0.572 1 1 498 . 25 1 1 A 44 44 ALA CA C 50 53.021 52.141 0.880 1 1 499 . 25 1 1 A 44 44 ALA CB C 50 23.682 21.858 1.824 1 1 500 . 25 1 1 A 44 44 ALA N N 50 120.678 123.132 -2.454 1 1 501 . 25 1 1 A 45 45 GLN H H 51 9.035 9.332 -0.297 1 1 502 . 25 1 1 A 45 45 GLN HA H 51 3.774 3.927 -0.153 1 1 509 . 25 1 1 A 45 45 GLN C C 51 175.259 174.844 0.415 1 1 510 . 25 1 1 A 45 45 GLN CA C 51 56.074 56.732 -0.658 1 1 511 . 25 1 1 A 45 45 GLN CB C 51 27.339 27.635 -0.296 1 1 513 . 25 1 1 A 45 45 GLN N N 51 116.299 123.601 -7.302 1 1 515 . 25 1 1 A 46 46 GLY H H 52 8.441 8.373 0.068 1 1 516 . 25 1 1 A 46 46 GLY HA2 H 52 4.066 3.842 0.224 1 1 517 . 25 1 1 A 46 46 GLY HA3 H 52 3.510 3.845 -0.335 1 1 518 . 25 1 1 A 46 46 GLY C C 52 173.050 173.808 -0.758 1 1 519 . 25 1 1 A 46 46 GLY CA C 52 44.998 45.122 -0.124 1 1 520 . 25 1 1 A 46 46 GLY N N 52 105.419 105.465 -0.046 1 1 521 . 25 1 1 A 47 47 ALA H H 53 8.152 7.690 0.462 1 1 522 . 25 1 1 A 47 47 ALA HA H 53 4.767 4.714 0.053 1 1 526 . 25 1 1 A 47 47 ALA C C 53 175.989 176.643 -0.654 1 1 527 . 25 1 1 A 47 47 ALA CA C 53 49.918 51.138 -1.220 1 1 528 . 25 1 1 A 47 47 ALA CB C 53 22.720 21.505 1.215 1 1 529 . 25 1 1 A 47 47 ALA N N 53 124.355 123.557 0.798 1 1 530 . 25 1 1 A 48 48 GLU H H 54 8.156 9.186 -1.030 1 1 531 . 25 1 1 A 48 48 GLU HA H 54 5.488 5.298 0.190 1 1 536 . 25 1 1 A 48 48 GLU C C 54 174.224 174.079 0.145 1 1 537 . 25 1 1 A 48 48 GLU CA C 54 54.346 54.835 -0.489 1 1 538 . 25 1 1 A 48 48 GLU CB C 54 34.305 33.860 0.445 1 1 540 . 25 1 1 A 48 48 GLU N N 54 116.655 116.085 0.570 1 1 541 . 25 1 1 A 49 49 LYS H H 55 8.852 8.790 0.062 1 1 542 . 25 1 1 A 49 49 LYS HA H 55 4.190 4.755 -0.565 1 1 549 . 25 1 1 A 49 49 LYS C C 55 172.887 174.703 -1.816 1 1 550 . 25 1 1 A 49 49 LYS CA C 55 56.414 55.477 0.937 1 1 551 . 25 1 1 A 49 49 LYS CB C 55 34.723 36.322 -1.599 1 1 554 . 25 1 1 A 49 49 LYS N N 55 122.922 120.960 1.962 1 1 555 . 25 1 1 A 50 50 THR H H 56 7.910 8.770 -0.860 1 1 556 . 25 1 1 A 50 50 THR HA H 56 4.908 4.887 0.021 1 1 561 . 25 1 1 A 50 50 THR C C 56 173.112 173.875 -0.763 1 1 562 . 25 1 1 A 50 50 THR CA C 56 61.998 62.416 -0.418 1 1 563 . 25 1 1 A 50 50 THR CB C 56 68.596 69.365 -0.769 1 1 565 . 25 1 1 A 50 50 THR N N 56 120.811 123.039 -2.228 1 1 566 . 25 1 1 A 51 51 TYR H H 57 9.432 9.551 -0.119 1 1 567 . 25 1 1 A 51 51 TYR HA H 57 4.493 5.231 -0.738 1 1 574 . 25 1 1 A 51 51 TYR C C 57 174.156 174.021 0.135 1 1 575 . 25 1 1 A 51 51 TYR CA C 57 57.375 55.961 1.414 1 1 576 . 25 1 1 A 51 51 TYR CB C 57 41.895 41.471 0.424 1 1 577 . 25 1 1 A 51 51 TYR N N 57 127.372 124.571 2.801 1 1 578 . 25 1 1 A 52 52 GLY H H 58 9.154 8.430 0.724 1 1 579 . 25 1 1 A 52 52 GLY HA2 H 58 3.543 3.920 -0.377 1 1 580 . 25 1 1 A 52 52 GLY HA3 H 58 3.543 4.105 -0.562 1 1 581 . 25 1 1 A 52 52 GLY C C 58 172.527 172.922 -0.395 1 1 582 . 25 1 1 A 52 52 GLY CA C 58 42.304 45.547 -3.243 1 1 583 . 25 1 1 A 52 52 GLY N N 58 108.920 106.445 2.475 1 1 584 . 25 1 1 A 53 53 ASN H H 59 8.877 9.205 -0.328 1 1 585 . 25 1 1 A 53 53 ASN HA H 59 4.034 4.349 -0.315 1 1 588 . 25 1 1 A 53 53 ASN C C 59 176.319 175.146 1.173 1 1 589 . 25 1 1 A 53 53 ASN CA C 59 57.108 54.928 2.180 1 1 590 . 25 1 1 A 53 53 ASN CB C 59 39.672 36.559 3.113 1 1 591 . 25 1 1 A 53 53 ASN N N 59 117.281 117.591 -0.310 1 1 592 . 25 1 1 A 54 54 GLY H H 60 8.949 8.660 0.289 1 1 593 . 25 1 1 A 54 54 GLY HA2 H 60 4.222 4.093 0.129 1 1 594 . 25 1 1 A 54 54 GLY HA3 H 60 3.348 4.116 -0.768 1 1 595 . 25 1 1 A 54 54 GLY C C 60 174.096 172.294 1.802 1 1 596 . 25 1 1 A 54 54 GLY CA C 60 44.931 45.153 -0.222 1 1 597 . 25 1 1 A 54 54 GLY N N 60 114.860 104.969 9.891 1 1 598 . 25 1 1 A 55 55 ASP H H 61 7.991 9.140 -1.149 1 1 599 . 25 1 1 A 55 55 ASP HA H 61 4.493 5.192 -0.699 1 1 602 . 25 1 1 A 55 55 ASP C C 61 174.727 174.250 0.477 1 1 603 . 25 1 1 A 55 55 ASP CA C 61 54.408 53.208 1.200 1 1 604 . 25 1 1 A 55 55 ASP CB C 61 41.780 44.993 -3.213 1 1 605 . 25 1 1 A 55 55 ASP N N 61 121.974 125.228 -3.254 1 1 606 . 25 1 1 A 56 56 SER H H 62 8.485 8.812 -0.327 1 1 607 . 25 1 1 A 56 56 SER HA H 62 4.959 5.350 -0.391 1 1 610 . 25 1 1 A 56 56 SER C C 62 173.099 172.834 0.265 1 1 611 . 25 1 1 A 56 56 SER CA C 62 57.154 56.253 0.901 1 1 612 . 25 1 1 A 56 56 SER CB C 62 64.522 66.233 -1.711 1 1 613 . 25 1 1 A 56 56 SER N N 62 113.088 114.435 -1.347 1 1 614 . 25 1 1 A 57 57 LEU H H 63 9.004 8.889 0.115 1 1 615 . 25 1 1 A 57 57 LEU HA H 63 4.500 4.795 -0.295 1 1 625 . 25 1 1 A 57 57 LEU C C 63 175.943 174.159 1.784 1 1 626 . 25 1 1 A 57 57 LEU CA C 63 53.070 53.723 -0.653 1 1 627 . 25 1 1 A 57 57 LEU CB C 63 43.800 46.002 -2.202 1 1 630 . 25 1 1 A 57 57 LEU N N 63 126.423 123.257 3.166 1 1 631 . 25 1 1 A 58 58 ASN H H 64 8.484 8.888 -0.404 1 1 632 . 25 1 1 A 58 58 ASN HA H 64 4.752 4.830 -0.078 1 1 635 . 25 1 1 A 58 58 ASN C C 64 173.916 175.244 -1.328 1 1 636 . 25 1 1 A 58 58 ASN CA C 64 50.587 53.534 -2.947 1 1 637 . 25 1 1 A 58 58 ASN CB C 64 35.153 38.888 -3.735 1 1 638 . 25 1 1 A 58 58 ASN N N 64 125.624 123.851 1.773 1 1 639 . 25 1 1 A 59 59 THR H H 65 7.747 8.600 -0.853 1 1 640 . 25 1 1 A 59 59 THR HA H 65 4.770 4.605 0.165 1 1 645 . 25 1 1 A 59 59 THR C C 65 177.245 174.199 3.046 1 1 646 . 25 1 1 A 59 59 THR CA C 65 63.213 61.088 2.125 1 1 647 . 25 1 1 A 59 59 THR CB C 65 63.510 70.578 -7.068 1 1 649 . 25 1 1 A 59 59 THR N N 65 113.770 119.538 -5.768 1 1 650 . 25 1 1 A 60 60 GLY H H 66 8.869 8.286 0.583 1 1 651 . 25 1 1 A 60 60 GLY HA2 H 66 3.839 3.992 -0.153 1 1 652 . 25 1 1 A 60 60 GLY HA3 H 66 3.724 4.002 -0.278 1 1 653 . 25 1 1 A 60 60 GLY C C 66 173.279 174.561 -1.282 1 1 654 . 25 1 1 A 60 60 GLY CA C 66 44.892 44.371 0.521 1 1 655 . 25 1 1 A 60 60 GLY N N 66 114.430 110.262 4.168 1 1 656 . 25 1 1 A 61 61 LYS H H 67 6.376 9.224 -2.848 1 1 657 . 25 1 1 A 61 61 LYS HA H 67 4.021 3.984 0.037 1 1 666 . 25 1 1 A 61 61 LYS C C 67 176.315 175.659 0.656 1 1 667 . 25 1 1 A 61 61 LYS CA C 67 54.298 58.178 -3.880 1 1 668 . 25 1 1 A 61 61 LYS CB C 67 32.200 31.103 1.097 1 1 672 . 25 1 1 A 61 61 LYS N N 67 112.620 118.377 -5.757 1 1 673 . 25 1 1 A 62 62 LEU H H 68 7.335 8.654 -1.319 1 1 674 . 25 1 1 A 62 62 LEU HA H 68 4.275 4.024 0.251 1 1 684 . 25 1 1 A 62 62 LEU C C 68 176.306 176.166 0.140 1 1 685 . 25 1 1 A 62 62 LEU CA C 68 52.479 56.923 -4.444 1 1 686 . 25 1 1 A 62 62 LEU CB C 68 40.600 40.649 -0.049 1 1 689 . 25 1 1 A 62 62 LEU N N 68 116.704 121.610 -4.906 1 1 690 . 25 1 1 A 63 63 LYS H H 69 8.506 8.352 0.154 1 1 691 . 25 1 1 A 63 63 LYS HA H 69 3.992 4.542 -0.550 1 1 700 . 25 1 1 A 63 63 LYS C C 69 175.886 176.630 -0.744 1 1 701 . 25 1 1 A 63 63 LYS CA C 69 54.986 56.224 -1.238 1 1 702 . 25 1 1 A 63 63 LYS CB C 69 32.447 32.894 -0.447 1 1 706 . 25 1 1 A 63 63 LYS N N 69 119.841 122.333 -2.492 1 1 707 . 25 1 1 A 64 64 ASN H H 70 8.080 8.816 -0.736 1 1 708 . 25 1 1 A 64 64 ASN HA H 70 3.839 4.842 -1.003 1 1 713 . 25 1 1 A 64 64 ASN C C 70 174.449 175.523 -1.074 1 1 714 . 25 1 1 A 64 64 ASN CA C 70 54.417 52.652 1.765 1 1 715 . 25 1 1 A 64 64 ASN CB C 70 38.129 39.292 -1.163 1 1 716 . 25 1 1 A 64 64 ASN N N 70 121.515 125.125 -3.610 1 1 718 . 25 1 1 A 65 65 ASP H H 71 9.218 9.071 0.147 1 1 719 . 25 1 1 A 65 65 ASP HA H 71 3.690 4.323 -0.633 1 1 722 . 25 1 1 A 65 65 ASP C C 71 173.016 174.907 -1.891 1 1 723 . 25 1 1 A 65 65 ASP CA C 71 54.726 55.456 -0.730 1 1 724 . 25 1 1 A 65 65 ASP CB C 71 38.534 40.543 -2.009 1 1 725 . 25 1 1 A 65 65 ASP N N 71 113.370 121.806 -8.436 1 1 726 . 25 1 1 A 66 66 LYS H H 72 6.443 7.470 -1.027 1 1 727 . 25 1 1 A 66 66 LYS HA H 72 4.411 4.672 -0.261 1 1 734 . 25 1 1 A 66 66 LYS C C 72 174.745 175.063 -0.318 1 1 735 . 25 1 1 A 66 66 LYS CA C 72 53.094 54.855 -1.761 1 1 736 . 25 1 1 A 66 66 LYS CB C 72 36.099 35.192 0.907 1 1 739 . 25 1 1 A 66 66 LYS N N 72 113.415 114.584 -1.169 1 1 740 . 25 1 1 A 67 67 VAL H H 73 8.679 8.065 0.614 1 1 741 . 25 1 1 A 67 67 VAL HA H 73 4.189 4.102 0.087 1 1 749 . 25 1 1 A 67 67 VAL C C 73 176.630 175.339 1.291 1 1 750 . 25 1 1 A 67 67 VAL CA C 73 62.135 61.275 0.860 1 1 751 . 25 1 1 A 67 67 VAL CB C 73 32.001 32.494 -0.493 1 1 753 . 25 1 1 A 67 67 VAL N N 73 122.098 119.140 2.958 1 1 754 . 25 1 1 A 68 68 SER H H 74 9.497 8.945 0.552 1 1 755 . 25 1 1 A 68 68 SER HA H 74 4.507 5.161 -0.654 1 1 758 . 25 1 1 A 68 68 SER C C 74 172.249 173.625 -1.376 1 1 759 . 25 1 1 A 68 68 SER CA C 74 58.323 56.377 1.946 1 1 760 . 25 1 1 A 68 68 SER CB C 74 64.028 64.334 -0.306 1 1 761 . 25 1 1 A 68 68 SER N N 74 127.048 120.506 6.542 1 1 762 . 25 1 1 A 69 69 ARG H H 75 7.848 8.315 -0.467 1 1 763 . 25 1 1 A 69 69 ARG HA H 75 5.031 4.253 0.778 1 1 770 . 25 1 1 A 69 69 ARG C C 75 173.300 175.461 -2.161 1 1 771 . 25 1 1 A 69 69 ARG CA C 75 55.337 55.920 -0.583 1 1 772 . 25 1 1 A 69 69 ARG CB C 75 31.871 30.398 1.473 1 1 775 . 25 1 1 A 69 69 ARG N N 75 122.621 123.380 -0.759 1 1 776 . 25 1 1 A 70 70 PHE H H 76 9.246 8.575 0.671 1 1 777 . 25 1 1 A 70 70 PHE HA H 76 4.808 5.003 -0.195 1 1 784 . 25 1 1 A 70 70 PHE C C 76 175.788 174.844 0.944 1 1 785 . 25 1 1 A 70 70 PHE CA C 76 55.245 56.662 -1.417 1 1 786 . 25 1 1 A 70 70 PHE CB C 76 43.645 43.252 0.393 1 1 787 . 25 1 1 A 70 70 PHE N N 76 118.087 120.089 -2.002 1 1 788 . 25 1 1 A 71 71 ASP H H 77 9.144 8.859 0.285 1 1 789 . 25 1 1 A 71 71 ASP HA H 77 5.360 5.438 -0.078 1 1 792 . 25 1 1 A 71 71 ASP C C 77 176.477 175.971 0.506 1 1 793 . 25 1 1 A 71 71 ASP CA C 77 55.131 53.559 1.572 1 1 794 . 25 1 1 A 71 71 ASP CB C 77 41.301 43.003 -1.702 1 1 795 . 25 1 1 A 71 71 ASP N N 77 123.565 121.853 1.712 1 1 796 . 25 1 1 A 72 72 PHE H H 78 9.094 8.545 0.549 1 1 797 . 25 1 1 A 72 72 PHE HA H 78 6.431 5.629 0.802 1 1 805 . 25 1 1 A 72 72 PHE C C 78 174.014 173.041 0.973 1 1 806 . 25 1 1 A 72 72 PHE CA C 78 54.934 56.309 -1.375 1 1 807 . 25 1 1 A 72 72 PHE CB C 78 42.491 42.590 -0.099 1 1 808 . 25 1 1 A 72 72 PHE N N 78 119.663 117.416 2.247 1 1 809 . 25 1 1 A 73 73 ILE H H 79 8.623 8.628 -0.005 1 1 810 . 25 1 1 A 73 73 ILE HA H 79 4.334 4.562 -0.228 1 1 820 . 25 1 1 A 73 73 ILE C C 79 173.961 174.487 -0.526 1 1 821 . 25 1 1 A 73 73 ILE CA C 79 61.222 60.088 1.134 1 1 822 . 25 1 1 A 73 73 ILE CB C 79 41.918 41.453 0.465 1 1 826 . 25 1 1 A 73 73 ILE N N 79 119.750 120.771 -1.021 1 1 827 . 25 1 1 A 74 74 ARG H H 80 9.052 9.146 -0.094 1 1 828 . 25 1 1 A 74 74 ARG HA H 80 5.311 5.034 0.277 1 1 835 . 25 1 1 A 74 74 ARG C C 80 174.870 174.947 -0.077 1 1 836 . 25 1 1 A 74 74 ARG CA C 80 54.449 54.517 -0.068 1 1 837 . 25 1 1 A 74 74 ARG CB C 80 33.740 32.334 1.406 1 1 840 . 25 1 1 A 74 74 ARG N N 80 128.407 128.733 -0.326 1 1 841 . 25 1 1 A 75 75 GLN H H 81 9.304 8.689 0.615 1 1 842 . 25 1 1 A 75 75 GLN HA H 81 5.562 5.052 0.510 1 1 849 . 25 1 1 A 75 75 GLN C C 81 173.678 174.151 -0.473 1 1 850 . 25 1 1 A 75 75 GLN CA C 81 53.745 54.424 -0.679 1 1 851 . 25 1 1 A 75 75 GLN CB C 81 34.013 31.281 2.732 1 1 853 . 25 1 1 A 75 75 GLN N N 81 125.481 123.808 1.673 1 1 855 . 25 1 1 A 76 76 ILE H H 82 8.592 8.825 -0.233 1 1 856 . 25 1 1 A 76 76 ILE HA H 82 4.576 4.786 -0.210 1 1 866 . 25 1 1 A 76 76 ILE C C 82 172.511 173.064 -0.553 1 1 867 . 25 1 1 A 76 76 ILE CA C 82 59.622 58.984 0.638 1 1 868 . 25 1 1 A 76 76 ILE CB C 82 42.248 41.731 0.517 1 1 872 . 25 1 1 A 76 76 ILE N N 82 115.536 120.968 -5.432 1 1 873 . 25 1 1 A 77 77 GLU H H 83 8.433 8.593 -0.160 1 1 874 . 25 1 1 A 77 77 GLU HA H 83 4.936 4.593 0.343 1 1 879 . 25 1 1 A 77 77 GLU C C 83 175.614 175.304 0.310 1 1 880 . 25 1 1 A 77 77 GLU CA C 83 54.812 56.387 -1.575 1 1 881 . 25 1 1 A 77 77 GLU CB C 83 30.465 31.133 -0.668 1 1 883 . 25 1 1 A 77 77 GLU N N 83 124.858 126.144 -1.286 1 1 884 . 25 1 1 A 78 78 VAL H H 84 8.879 8.973 -0.094 1 1 885 . 25 1 1 A 78 78 VAL HA H 84 4.076 4.449 -0.373 1 1 893 . 25 1 1 A 78 78 VAL C C 84 175.694 175.968 -0.274 1 1 894 . 25 1 1 A 78 78 VAL CA C 84 61.382 61.131 0.251 1 1 895 . 25 1 1 A 78 78 VAL CB C 84 34.014 32.942 1.072 1 1 897 . 25 1 1 A 78 78 VAL N N 84 126.973 126.219 0.754 1 1 898 . 25 1 1 A 79 79 ASP H H 85 9.329 9.472 -0.143 1 1 899 . 25 1 1 A 79 79 ASP HA H 85 4.156 4.328 -0.172 1 1 902 . 25 1 1 A 79 79 ASP C C 85 175.774 175.833 -0.059 1 1 903 . 25 1 1 A 79 79 ASP CA C 85 55.125 55.655 -0.530 1 1 904 . 25 1 1 A 79 79 ASP CB C 85 38.926 39.711 -0.785 1 1 905 . 25 1 1 A 79 79 ASP N N 85 129.387 129.226 0.161 1 1 906 . 25 1 1 A 80 80 GLY H H 86 8.575 8.520 0.055 1 1 907 . 25 1 1 A 80 80 GLY HA2 H 86 3.992 3.820 0.172 1 1 908 . 25 1 1 A 80 80 GLY HA3 H 86 3.507 3.820 -0.313 1 1 909 . 25 1 1 A 80 80 GLY C C 86 173.366 173.819 -0.453 1 1 910 . 25 1 1 A 80 80 GLY CA C 86 44.759 45.416 -0.657 1 1 911 . 25 1 1 A 80 80 GLY N N 86 103.293 103.865 -0.572 1 1 912 . 25 1 1 A 81 81 GLN H H 87 7.751 8.075 -0.324 1 1 913 . 25 1 1 A 81 81 GLN HA H 87 4.482 4.891 -0.409 1 1 918 . 25 1 1 A 81 81 GLN C C 87 173.874 174.464 -0.590 1 1 919 . 25 1 1 A 81 81 GLN CA C 87 53.328 53.879 -0.551 1 1 920 . 25 1 1 A 81 81 GLN CB C 87 30.670 32.215 -1.545 1 1 922 . 25 1 1 A 81 81 GLN N N 87 119.688 119.164 0.524 1 1 923 . 25 1 1 A 82 82 LEU H H 88 8.418 8.970 -0.552 1 1 924 . 25 1 1 A 82 82 LEU HA H 88 4.630 4.897 -0.267 1 1 934 . 25 1 1 A 82 82 LEU C C 88 176.289 175.582 0.707 1 1 935 . 25 1 1 A 82 82 LEU CA C 88 53.834 53.786 0.048 1 1 936 . 25 1 1 A 82 82 LEU CB C 88 41.737 42.269 -0.532 1 1 940 . 25 1 1 A 82 82 LEU N N 88 123.523 122.415 1.108 1 1 941 . 25 1 1 A 83 83 ILE H H 89 9.146 8.994 0.152 1 1 942 . 25 1 1 A 83 83 ILE HA H 89 4.249 4.876 -0.627 1 1 952 . 25 1 1 A 83 83 ILE C C 89 175.698 174.144 1.554 1 1 953 . 25 1 1 A 83 83 ILE CA C 89 59.363 59.816 -0.453 1 1 954 . 25 1 1 A 83 83 ILE CB C 89 39.633 41.174 -1.541 1 1 958 . 25 1 1 A 83 83 ILE N N 89 127.151 125.096 2.055 1 1 959 . 25 1 1 A 84 84 THR H H 90 8.656 8.810 -0.154 1 1 960 . 25 1 1 A 84 84 THR HA H 90 4.203 4.599 -0.396 1 1 965 . 25 1 1 A 84 84 THR C C 90 172.890 174.703 -1.813 1 1 966 . 25 1 1 A 84 84 THR CA C 90 62.641 60.350 2.291 1 1 967 . 25 1 1 A 84 84 THR CB C 90 68.634 69.566 -0.932 1 1 969 . 25 1 1 A 84 84 THR N N 90 123.099 120.316 2.783 1 1 970 . 25 1 1 A 85 85 LEU H H 91 8.967 9.004 -0.037 1 1 971 . 25 1 1 A 85 85 LEU HA H 91 4.256 4.403 -0.147 1 1 980 . 25 1 1 A 85 85 LEU C C 91 177.371 176.249 1.122 1 1 981 . 25 1 1 A 85 85 LEU CA C 91 55.527 55.931 -0.404 1 1 982 . 25 1 1 A 85 85 LEU CB C 91 44.315 43.530 0.785 1 1 984 . 25 1 1 A 85 85 LEU N N 91 125.333 130.614 -5.281 1 1 985 . 25 1 1 A 86 86 GLU H H 92 7.503 7.256 0.247 1 1 986 . 25 1 1 A 86 86 GLU HA H 92 5.026 4.694 0.332 1 1 991 . 25 1 1 A 86 86 GLU C C 92 172.723 174.490 -1.767 1 1 992 . 25 1 1 A 86 86 GLU CA C 92 54.670 55.178 -0.508 1 1 993 . 25 1 1 A 86 86 GLU CB C 92 33.717 33.927 -0.210 1 1 995 . 25 1 1 A 86 86 GLU N N 92 116.655 116.829 -0.174 1 1 996 . 25 1 1 A 87 87 SER H H 93 8.954 8.535 0.419 1 1 997 . 25 1 1 A 87 87 SER HA H 93 4.245 4.519 -0.274 1 1 1000 . 25 1 1 A 87 87 SER C C 93 172.763 173.039 -0.276 1 1 1001 . 25 1 1 A 87 87 SER CA C 93 57.328 57.408 -0.080 1 1 1002 . 25 1 1 A 87 87 SER CB C 93 65.493 66.978 -1.485 1 1 1003 . 25 1 1 A 87 87 SER N N 93 117.941 115.891 2.050 1 1 1004 . 25 1 1 A 88 88 GLY H H 94 6.932 7.578 -0.646 1 1 1005 . 25 1 1 A 88 88 GLY HA2 H 94 3.694 4.222 -0.528 1 1 1006 . 25 1 1 A 88 88 GLY HA3 H 94 3.694 4.287 -0.593 1 1 1007 . 25 1 1 A 88 88 GLY C C 94 171.117 171.961 -0.844 1 1 1008 . 25 1 1 A 88 88 GLY CA C 94 46.575 45.760 0.815 1 1 1009 . 25 1 1 A 88 88 GLY N N 94 108.625 109.353 -0.728 1 1 1010 . 25 1 1 A 89 89 GLU H H 95 9.669 8.502 1.167 1 1 1011 . 25 1 1 A 89 89 GLU HA H 95 5.642 5.067 0.575 1 1 1016 . 25 1 1 A 89 89 GLU C C 95 173.226 175.170 -1.944 1 1 1017 . 25 1 1 A 89 89 GLU CA C 95 54.786 55.777 -0.991 1 1 1018 . 25 1 1 A 89 89 GLU CB C 95 34.334 30.627 3.707 1 1 1020 . 25 1 1 A 89 89 GLU N N 95 128.231 122.715 5.516 1 1 1021 . 25 1 1 A 90 90 PHE H H 96 10.365 9.359 1.006 1 1 1022 . 25 1 1 A 90 90 PHE HA H 96 5.048 4.195 0.853 1 1 1029 . 25 1 1 A 90 90 PHE C C 96 173.039 173.984 -0.945 1 1 1030 . 25 1 1 A 90 90 PHE CA C 96 54.616 57.499 -2.883 1 1 1031 . 25 1 1 A 90 90 PHE CB C 96 42.090 38.920 3.170 1 1 1032 . 25 1 1 A 90 90 PHE N N 96 131.583 126.861 4.722 1 1 1033 . 25 1 1 A 91 91 GLN H H 97 8.685 8.353 0.332 1 1 1034 . 25 1 1 A 91 91 GLN HA H 97 4.959 4.858 0.101 1 1 1041 . 25 1 1 A 91 91 GLN C C 97 174.151 174.167 -0.016 1 1 1042 . 25 1 1 A 91 91 GLN CA C 97 53.174 54.165 -0.991 1 1 1043 . 25 1 1 A 91 91 GLN CB C 97 28.812 31.662 -2.850 1 1 1045 . 25 1 1 A 91 91 GLN N N 97 126.465 127.700 -1.235 1 1 1047 . 25 1 1 A 92 92 VAL H H 98 8.675 8.415 0.260 1 1 1048 . 25 1 1 A 92 92 VAL HA H 98 4.569 4.427 0.142 1 1 1056 . 25 1 1 A 92 92 VAL C C 98 173.802 173.664 0.138 1 1 1057 . 25 1 1 A 92 92 VAL CA C 98 59.715 61.607 -1.892 1 1 1058 . 25 1 1 A 92 92 VAL CB C 98 35.074 34.540 0.534 1 1 1061 . 25 1 1 A 92 92 VAL N N 98 118.841 125.826 -6.985 1 1 1062 . 25 1 1 A 93 93 TYR H H 99 8.896 9.251 -0.355 1 1 1063 . 25 1 1 A 93 93 TYR HA H 99 4.940 4.864 0.076 1 1 1070 . 25 1 1 A 93 93 TYR C C 99 173.330 174.551 -1.221 1 1 1071 . 25 1 1 A 93 93 TYR CA C 99 56.948 56.696 0.252 1 1 1072 . 25 1 1 A 93 93 TYR CB C 99 40.780 39.854 0.926 1 1 1073 . 25 1 1 A 93 93 TYR N N 99 127.563 129.092 -1.529 1 1 1074 . 25 1 1 A 94 94 LYS H H 100 5.813 9.433 -3.620 1 1 1075 . 25 1 1 A 94 94 LYS HA H 100 4.248 4.806 -0.558 1 1 1082 . 25 1 1 A 94 94 LYS CA C 100 55.660 55.981 -0.321 1 1 1083 . 25 1 1 A 94 94 LYS CB C 100 35.870 33.202 2.668 1 1 1084 . 25 1 1 A 94 94 LYS N N 100 128.378 126.504 1.874 1 1 1085 . 25 1 1 A 95 95 GLN H H 101 8.438 8.414 0.024 1 1 1086 . 25 1 1 A 95 95 GLN HA H 101 5.028 4.823 0.205 1 1 1091 . 25 1 1 A 95 95 GLN C C 101 174.080 174.808 -0.728 1 1 1092 . 25 1 1 A 95 95 GLN CA C 101 54.043 53.749 0.294 1 1 1093 . 25 1 1 A 95 95 GLN CB C 101 27.209 32.803 -5.594 1 1 1095 . 25 1 1 A 95 95 GLN N N 101 125.809 123.952 1.857 1 1 1096 . 25 1 1 A 96 96 SER H H 102 9.057 9.048 0.009 1 1 1097 . 25 1 1 A 96 96 SER HA H 102 3.041 4.555 -1.514 1 1 1100 . 25 1 1 A 96 96 SER CA C 102 62.985 58.186 4.799 1 1 1101 . 25 1 1 A 96 96 SER CB C 102 63.242 62.356 0.886 1 1 1102 . 25 1 1 A 96 96 SER N N 102 117.650 119.022 -1.372 1 1 1103 . 25 1 1 A 97 97 HIS H H 103 10.115 8.363 1.752 1 1 1104 . 25 1 1 A 97 97 HIS HA H 103 4.406 4.085 0.321 1 1 1109 . 25 1 1 A 97 97 HIS CA C 103 53.809 57.130 -3.321 1 1 1110 . 25 1 1 A 97 97 HIS CB C 103 30.329 27.057 3.272 1 1 1111 . 25 1 1 A 97 97 HIS N N 103 118.385 121.954 -3.569 1 1 1112 . 25 1 1 A 98 98 SER H H 104 7.241 7.420 -0.179 1 1 1113 . 25 1 1 A 98 98 SER HA H 104 4.406 4.820 -0.414 1 1 1116 . 25 1 1 A 98 98 SER CA C 104 56.712 57.449 -0.737 1 1 1117 . 25 1 1 A 98 98 SER CB C 104 65.461 67.769 -2.308 1 1 1118 . 25 1 1 A 98 98 SER N N 104 112.298 113.281 -0.983 1 1 1119 . 25 1 1 A 99 99 ALA H H 105 8.418 8.269 0.149 1 1 1120 . 25 1 1 A 99 99 ALA HA H 105 4.753 4.868 -0.115 1 1 1124 . 25 1 1 A 99 99 ALA C C 105 173.181 175.948 -2.767 1 1 1125 . 25 1 1 A 99 99 ALA CA C 105 51.363 51.774 -0.411 1 1 1126 . 25 1 1 A 99 99 ALA CB C 105 22.271 23.230 -0.959 1 1 1127 . 25 1 1 A 99 99 ALA N N 105 116.790 122.683 -5.893 1 1 1128 . 25 1 1 A 100 100 LEU H H 106 8.376 8.709 -0.333 1 1 1129 . 25 1 1 A 100 100 LEU HA H 106 5.549 5.349 0.200 1 1 1139 . 25 1 1 A 100 100 LEU C C 106 175.338 174.832 0.506 1 1 1140 . 25 1 1 A 100 100 LEU CA C 106 53.753 53.007 0.746 1 1 1141 . 25 1 1 A 100 100 LEU CB C 106 46.393 46.406 -0.013 1 1 1145 . 25 1 1 A 100 100 LEU N N 106 115.214 117.109 -1.895 1 1 1146 . 25 1 1 A 101 101 THR H H 107 8.685 9.050 -0.365 1 1 1147 . 25 1 1 A 101 101 THR HA H 107 5.287 5.285 0.002 1 1 1152 . 25 1 1 A 101 101 THR C C 107 172.493 172.835 -0.342 1 1 1153 . 25 1 1 A 101 101 THR CA C 107 57.069 59.711 -2.642 1 1 1154 . 25 1 1 A 101 101 THR CB C 107 71.308 71.975 -0.667 1 1 1156 . 25 1 1 A 101 101 THR N N 107 109.441 115.343 -5.902 1 1 1157 . 25 1 1 A 102 102 ALA H H 108 8.459 8.355 0.104 1 1 1158 . 25 1 1 A 102 102 ALA HA H 108 4.366 5.219 -0.853 1 1 1162 . 25 1 1 A 102 102 ALA C C 108 173.439 175.837 -2.398 1 1 1163 . 25 1 1 A 102 102 ALA CA C 108 51.015 50.790 0.225 1 1 1164 . 25 1 1 A 102 102 ALA CB C 108 23.424 23.833 -0.409 1 1 1165 . 25 1 1 A 102 102 ALA N N 108 120.716 127.806 -7.090 1 1 1166 . 25 1 1 A 103 103 PHE H H 109 8.510 8.658 -0.148 1 1 1167 . 25 1 1 A 103 103 PHE HA H 109 4.715 5.264 -0.549 1 1 1175 . 25 1 1 A 103 103 PHE C C 109 174.173 174.565 -0.392 1 1 1176 . 25 1 1 A 103 103 PHE CA C 109 56.640 55.786 0.854 1 1 1177 . 25 1 1 A 103 103 PHE CB C 109 41.926 42.026 -0.100 1 1 1178 . 25 1 1 A 103 103 PHE N N 109 115.041 117.905 -2.864 1 1 1179 . 25 1 1 A 104 104 GLN H H 110 9.832 8.913 0.919 1 1 1180 . 25 1 1 A 104 104 GLN HA H 110 5.226 4.936 0.290 1 1 1187 . 25 1 1 A 104 104 GLN C C 110 175.186 174.395 0.791 1 1 1188 . 25 1 1 A 104 104 GLN CA C 110 53.213 54.946 -1.733 1 1 1189 . 25 1 1 A 104 104 GLN CB C 110 29.161 30.854 -1.693 1 1 1191 . 25 1 1 A 104 104 GLN N N 110 124.526 121.365 3.161 1 1 1193 . 25 1 1 A 105 105 THR H H 111 9.566 8.966 0.600 1 1 1194 . 25 1 1 A 105 105 THR HA H 111 4.186 4.939 -0.753 1 1 1199 . 25 1 1 A 105 105 THR C C 111 174.538 173.906 0.632 1 1 1200 . 25 1 1 A 105 105 THR CA C 111 66.408 61.651 4.757 1 1 1201 . 25 1 1 A 105 105 THR CB C 111 69.385 69.721 -0.336 1 1 1203 . 25 1 1 A 105 105 THR N N 111 126.760 121.295 5.465 1 1 1204 . 25 1 1 A 106 106 GLU H H 112 9.303 8.600 0.703 1 1 1205 . 25 1 1 A 106 106 GLU HA H 112 4.811 4.619 0.192 1 1 1210 . 25 1 1 A 106 106 GLU C C 112 177.397 175.445 1.952 1 1 1211 . 25 1 1 A 106 106 GLU CA C 112 56.227 56.151 0.076 1 1 1212 . 25 1 1 A 106 106 GLU CB C 112 31.283 30.512 0.771 1 1 1214 . 25 1 1 A 106 106 GLU N N 112 121.685 127.423 -5.738 1 1 1215 . 25 1 1 A 107 107 GLN H H 113 7.954 8.131 -0.177 1 1 1216 . 25 1 1 A 107 107 GLN HA H 113 5.233 4.836 0.397 1 1 1221 . 25 1 1 A 107 107 GLN C C 113 173.999 175.365 -1.366 1 1 1222 . 25 1 1 A 107 107 GLN CA C 113 53.837 55.107 -1.270 1 1 1223 . 25 1 1 A 107 107 GLN CB C 113 32.543 29.567 2.976 1 1 1225 . 25 1 1 A 107 107 GLN N N 113 117.612 117.547 0.065 1 1 1226 . 25 1 1 A 108 108 ILE H H 114 8.969 8.445 0.524 1 1 1227 . 25 1 1 A 108 108 ILE HA H 114 4.907 5.003 -0.096 1 1 1237 . 25 1 1 A 108 108 ILE C C 114 174.089 174.239 -0.150 1 1 1238 . 25 1 1 A 108 108 ILE CA C 114 58.954 58.511 0.443 1 1 1239 . 25 1 1 A 108 108 ILE CB C 114 42.799 42.468 0.331 1 1 1243 . 25 1 1 A 108 108 ILE N N 114 115.049 120.716 -5.667 1 1 1244 . 25 1 1 A 109 109 GLN H H 115 7.421 8.711 -1.290 1 1 1245 . 25 1 1 A 109 109 GLN HA H 115 4.405 5.070 -0.665 1 1 1252 . 25 1 1 A 109 109 GLN C C 115 175.654 173.763 1.891 1 1 1253 . 25 1 1 A 109 109 GLN CA C 115 56.086 53.447 2.639 1 1 1254 . 25 1 1 A 109 109 GLN CB C 115 28.483 32.304 -3.821 1 1 1256 . 25 1 1 A 109 109 GLN N N 115 121.959 120.330 1.629 1 1 1258 . 25 1 1 A 110 110 ASP H H 116 8.569 8.816 -0.247 1 1 1259 . 25 1 1 A 110 110 ASP HA H 116 4.377 5.399 -1.022 1 1 1262 . 25 1 1 A 110 110 ASP C C 116 176.662 175.361 1.301 1 1 1263 . 25 1 1 A 110 110 ASP CA C 116 53.511 53.177 0.334 1 1 1264 . 25 1 1 A 110 110 ASP CB C 116 41.187 43.459 -2.272 1 1 1265 . 25 1 1 A 110 110 ASP N N 116 125.621 121.313 4.308 1 1 1266 . 25 1 1 A 111 111 SER H H 117 8.445 8.764 -0.319 1 1 1267 . 25 1 1 A 111 111 SER HA H 117 4.024 4.696 -0.672 1 1 1270 . 25 1 1 A 111 111 SER C C 117 174.783 174.853 -0.070 1 1 1271 . 25 1 1 A 111 111 SER CA C 117 60.782 57.318 3.464 1 1 1272 . 25 1 1 A 111 111 SER CB C 117 62.560 62.518 0.042 1 1 1273 . 25 1 1 A 111 111 SER N N 117 120.732 119.543 1.189 1 1 1274 . 25 1 1 A 112 112 GLU H H 118 8.246 8.257 -0.011 1 1 1275 . 25 1 1 A 112 112 GLU HA H 118 4.044 4.591 -0.547 1 1 1280 . 25 1 1 A 112 112 GLU C C 118 175.899 176.381 -0.482 1 1 1281 . 25 1 1 A 112 112 GLU CA C 118 56.016 55.959 0.057 1 1 1282 . 25 1 1 A 112 112 GLU CB C 118 29.853 30.838 -0.985 1 1 1284 . 25 1 1 A 112 112 GLU N N 118 119.367 121.691 -2.324 1 1 1285 . 25 1 1 A 113 113 HIS H H 119 7.418 7.914 -0.496 1 1 1286 . 25 1 1 A 113 113 HIS HA H 119 4.607 4.802 -0.195 1 1 1291 . 25 1 1 A 113 113 HIS C C 119 173.527 175.187 -1.660 1 1 1292 . 25 1 1 A 113 113 HIS CA C 119 54.515 54.860 -0.345 1 1 1293 . 25 1 1 A 113 113 HIS CB C 119 28.667 30.973 -2.306 1 1 1294 . 25 1 1 A 113 113 HIS N N 119 117.287 120.502 -3.215 1 1 1295 . 25 1 1 A 114 114 SER H H 120 8.398 8.187 0.211 1 1 1296 . 25 1 1 A 114 114 SER HA H 120 4.183 4.167 0.016 1 1 1299 . 25 1 1 A 114 114 SER C C 120 175.690 174.479 1.211 1 1 1300 . 25 1 1 A 114 114 SER CA C 120 59.149 59.593 -0.444 1 1 1301 . 25 1 1 A 114 114 SER CB C 120 62.820 61.555 1.265 1 1 1302 . 25 1 1 A 114 114 SER N N 120 116.771 112.114 4.657 1 1 1303 . 25 1 1 A 115 115 GLY H H 121 8.733 8.113 0.620 1 1 1304 . 25 1 1 A 115 115 GLY HA2 H 121 4.052 4.143 -0.091 1 1 1305 . 25 1 1 A 115 115 GLY HA3 H 121 3.724 4.172 -0.448 1 1 1306 . 25 1 1 A 115 115 GLY C C 121 173.540 174.490 -0.950 1 1 1307 . 25 1 1 A 115 115 GLY CA C 121 44.692 45.326 -0.634 1 1 1308 . 25 1 1 A 115 115 GLY N N 121 112.197 106.616 5.581 1 1 1309 . 25 1 1 A 116 116 LYS H H 122 7.796 7.436 0.360 1 1 1310 . 25 1 1 A 116 116 LYS HA H 122 4.465 4.595 -0.130 1 1 1317 . 25 1 1 A 116 116 LYS C C 122 175.090 175.366 -0.276 1 1 1318 . 25 1 1 A 116 116 LYS CA C 122 55.122 55.830 -0.708 1 1 1319 . 25 1 1 A 116 116 LYS CB C 122 33.861 34.080 -0.219 1 1 1322 . 25 1 1 A 116 116 LYS N N 122 120.212 119.864 0.348 1 1 1323 . 25 1 1 A 117 117 MET H H 123 8.348 8.653 -0.305 1 1 1324 . 25 1 1 A 117 117 MET HA H 123 5.082 5.119 -0.037 1 1 1332 . 25 1 1 A 117 117 MET C C 123 176.210 174.040 2.170 1 1 1333 . 25 1 1 A 117 117 MET CA C 123 52.928 54.225 -1.297 1 1 1334 . 25 1 1 A 117 117 MET CB C 123 33.841 35.811 -1.970 1 1 1337 . 25 1 1 A 117 117 MET N N 123 119.755 119.667 0.088 1 1 1338 . 25 1 1 A 118 118 VAL H H 124 9.242 8.626 0.616 1 1 1339 . 25 1 1 A 118 118 VAL HA H 124 4.469 4.542 -0.073 1 1 1347 . 25 1 1 A 118 118 VAL C C 124 173.967 174.953 -0.986 1 1 1348 . 25 1 1 A 118 118 VAL CA C 124 59.056 61.146 -2.090 1 1 1349 . 25 1 1 A 118 118 VAL CB C 124 34.376 35.149 -0.773 1 1 1351 . 25 1 1 A 118 118 VAL N N 124 118.546 121.117 -2.571 1 1 1352 . 25 1 1 A 119 119 ALA H H 125 8.327 8.668 -0.341 1 1 1353 . 25 1 1 A 119 119 ALA HA H 125 4.624 4.320 0.304 1 1 1357 . 25 1 1 A 119 119 ALA C C 125 177.165 177.019 0.146 1 1 1358 . 25 1 1 A 119 119 ALA CA C 125 52.043 52.680 -0.637 1 1 1359 . 25 1 1 A 119 119 ALA CB C 125 18.232 19.241 -1.009 1 1 1360 . 25 1 1 A 119 119 ALA N N 125 125.947 130.392 -4.445 1 1 1361 . 25 1 1 A 120 120 LYS H H 126 7.604 8.426 -0.822 1 1 1362 . 25 1 1 A 120 120 LYS HA H 126 4.046 4.547 -0.501 1 1 1371 . 25 1 1 A 120 120 LYS C C 126 172.631 176.608 -3.977 1 1 1372 . 25 1 1 A 120 120 LYS CA C 126 56.023 56.382 -0.359 1 1 1373 . 25 1 1 A 120 120 LYS CB C 126 34.482 32.368 2.114 1 1 1377 . 25 1 1 A 120 120 LYS N N 126 126.149 121.670 4.479 1 1 1378 . 25 1 1 A 121 121 ARG H H 127 8.308 8.568 -0.260 1 1 1379 . 25 1 1 A 121 121 ARG HA H 127 4.901 4.702 0.199 1 1 1384 . 25 1 1 A 121 121 ARG C C 127 176.253 175.512 0.741 1 1 1385 . 25 1 1 A 121 121 ARG CA C 127 55.564 55.777 -0.213 1 1 1386 . 25 1 1 A 121 121 ARG CB C 127 28.273 31.402 -3.129 1 1 1388 . 25 1 1 A 121 121 ARG N N 127 122.760 120.310 2.450 1 1 1389 . 25 1 1 A 122 122 GLN H H 128 7.529 7.156 0.373 1 1 1390 . 25 1 1 A 122 122 GLN HA H 128 4.541 4.575 -0.034 1 1 1397 . 25 1 1 A 122 122 GLN C C 128 172.163 175.270 -3.107 1 1 1398 . 25 1 1 A 122 122 GLN CA C 128 54.218 54.742 -0.524 1 1 1399 . 25 1 1 A 122 122 GLN CB C 128 32.064 27.765 4.299 1 1 1401 . 25 1 1 A 122 122 GLN N N 128 121.022 119.938 1.084 1 1 1403 . 25 1 1 A 123 123 PHE H H 129 8.620 9.001 -0.381 1 1 1404 . 25 1 1 A 123 123 PHE HA H 129 6.040 5.167 0.873 1 1 1411 . 25 1 1 A 123 123 PHE C C 129 174.530 174.490 0.040 1 1 1412 . 25 1 1 A 123 123 PHE CA C 129 56.026 58.285 -2.259 1 1 1413 . 25 1 1 A 123 123 PHE CB C 129 42.143 40.263 1.880 1 1 1414 . 25 1 1 A 123 123 PHE N N 129 125.540 126.693 -1.153 1 1 1415 . 25 1 1 A 124 124 ARG H H 130 8.018 8.264 -0.246 1 1 1416 . 25 1 1 A 124 124 ARG HA H 130 4.366 4.789 -0.423 1 1 1423 . 25 1 1 A 124 124 ARG C C 130 172.139 174.323 -2.184 1 1 1424 . 25 1 1 A 124 124 ARG CA C 130 53.422 53.703 -0.281 1 1 1425 . 25 1 1 A 124 124 ARG CB C 130 32.310 34.264 -1.954 1 1 1428 . 25 1 1 A 124 124 ARG N N 130 125.264 125.986 -0.722 1 1 1429 . 25 1 1 A 125 125 ILE H H 131 8.462 8.274 0.188 1 1 1430 . 25 1 1 A 125 125 ILE HA H 131 3.883 4.464 -0.581 1 1 1440 . 25 1 1 A 125 125 ILE C C 131 175.487 175.221 0.266 1 1 1441 . 25 1 1 A 125 125 ILE CA C 131 58.339 61.397 -3.058 1 1 1442 . 25 1 1 A 125 125 ILE CB C 131 35.673 39.261 -3.588 1 1 1446 . 25 1 1 A 125 125 ILE N N 131 121.887 123.920 -2.033 1 1 1447 . 25 1 1 A 126 126 GLY H H 132 8.814 8.094 0.720 1 1 1448 . 25 1 1 A 126 126 GLY HA2 H 132 4.062 4.246 -0.184 1 1 1449 . 25 1 1 A 126 126 GLY HA3 H 132 4.062 4.301 -0.239 1 1 1450 . 25 1 1 A 126 126 GLY C C 132 171.583 172.638 -1.055 1 1 1451 . 25 1 1 A 126 126 GLY CA C 132 44.157 44.548 -0.391 1 1 1452 . 25 1 1 A 126 126 GLY N N 132 115.675 114.993 0.682 1 1 1453 . 25 1 1 A 127 127 ASP H H 133 7.914 8.449 -0.535 1 1 1454 . 25 1 1 A 127 127 ASP HA H 133 4.584 4.814 -0.230 1 1 1457 . 25 1 1 A 127 127 ASP C C 133 174.132 175.844 -1.712 1 1 1458 . 25 1 1 A 127 127 ASP CA C 133 54.822 54.433 0.389 1 1 1459 . 25 1 1 A 127 127 ASP CB C 133 45.407 41.835 3.572 1 1 1460 . 25 1 1 A 127 127 ASP N N 133 123.737 121.239 2.498 1 1 1461 . 25 1 1 A 128 128 ILE H H 134 8.258 8.809 -0.551 1 1 1462 . 25 1 1 A 128 128 ILE HA H 134 4.392 4.618 -0.226 1 1 1472 . 25 1 1 A 128 128 ILE C C 134 174.799 174.815 -0.016 1 1 1473 . 25 1 1 A 128 128 ILE CA C 134 61.596 60.749 0.847 1 1 1474 . 25 1 1 A 128 128 ILE CB C 134 37.549 38.341 -0.792 1 1 1478 . 25 1 1 A 128 128 ILE N N 134 119.105 124.771 -5.666 1 1 1479 . 25 1 1 A 129 129 ALA H H 135 8.607 8.458 0.149 1 1 1480 . 25 1 1 A 129 129 ALA HA H 135 4.757 4.610 0.147 1 1 1484 . 25 1 1 A 129 129 ALA C C 135 173.358 177.122 -3.764 1 1 1485 . 25 1 1 A 129 129 ALA CA C 135 50.608 52.399 -1.791 1 1 1486 . 25 1 1 A 129 129 ALA CB C 135 23.348 19.381 3.967 1 1 1487 . 25 1 1 A 129 129 ALA N N 135 129.336 131.466 -2.130 1 1 1488 . 25 1 1 A 130 130 GLY H H 136 7.514 8.414 -0.900 1 1 1489 . 25 1 1 A 130 130 GLY HA2 H 136 3.551 3.255 0.296 1 1 1490 . 25 1 1 A 130 130 GLY HA3 H 136 4.422 3.886 0.536 1 1 1491 . 25 1 1 A 130 130 GLY C C 136 172.609 172.021 0.588 1 1 1492 . 25 1 1 A 130 130 GLY CA C 136 44.315 44.283 0.032 1 1 1493 . 25 1 1 A 130 130 GLY N N 136 101.232 107.644 -6.412 1 1 1494 . 25 1 1 A 131 131 GLU H H 137 8.225 8.634 -0.409 1 1 1495 . 25 1 1 A 131 131 GLU HA H 137 4.540 5.234 -0.694 1 1 1500 . 25 1 1 A 131 131 GLU C C 137 174.864 175.476 -0.612 1 1 1501 . 25 1 1 A 131 131 GLU CA C 137 53.120 54.673 -1.553 1 1 1502 . 25 1 1 A 131 131 GLU CB C 137 28.254 34.340 -6.086 1 1 1504 . 25 1 1 A 131 131 GLU N N 137 121.002 118.800 2.202 1 1 1505 . 25 1 1 A 132 132 HIS H H 138 8.054 8.500 -0.446 1 1 1506 . 25 1 1 A 132 132 HIS HA H 138 4.771 4.928 -0.157 1 1 1511 . 25 1 1 A 132 132 HIS C C 138 175.411 175.364 0.047 1 1 1512 . 25 1 1 A 132 132 HIS CA C 138 57.942 56.486 1.456 1 1 1513 . 25 1 1 A 132 132 HIS CB C 138 27.710 30.964 -3.254 1 1 1514 . 25 1 1 A 132 132 HIS N N 138 124.204 121.042 3.162 1 1 1515 . 25 1 1 A 133 133 THR H H 139 9.056 8.878 0.178 1 1 1516 . 25 1 1 A 133 133 THR HA H 139 3.864 4.730 -0.866 1 1 1521 . 25 1 1 A 133 133 THR C C 139 174.178 174.067 0.111 1 1 1522 . 25 1 1 A 133 133 THR CA C 139 63.225 60.823 2.402 1 1 1523 . 25 1 1 A 133 133 THR CB C 139 68.127 71.621 -3.494 1 1 1525 . 25 1 1 A 133 133 THR N N 139 125.345 115.973 9.372 1 1 1526 . 25 1 1 A 134 134 SER H H 140 8.834 8.594 0.240 1 1 1527 . 25 1 1 A 134 134 SER HA H 140 4.560 4.387 0.173 1 1 1530 . 25 1 1 A 134 134 SER C C 140 176.713 176.255 0.458 1 1 1531 . 25 1 1 A 134 134 SER CA C 140 57.961 60.257 -2.296 1 1 1532 . 25 1 1 A 134 134 SER CB C 140 63.030 63.804 -0.774 1 1 1533 . 25 1 1 A 134 134 SER N N 140 121.791 121.108 0.683 1 1 1534 . 25 1 1 A 135 135 PHE H H 141 9.597 8.387 1.210 1 1 1535 . 25 1 1 A 135 135 PHE HA H 141 3.953 4.257 -0.304 1 1 1542 . 25 1 1 A 135 135 PHE C C 141 175.375 176.834 -1.459 1 1 1543 . 25 1 1 A 135 135 PHE CA C 141 61.339 59.914 1.425 1 1 1544 . 25 1 1 A 135 135 PHE CB C 141 39.394 38.206 1.188 1 1 1545 . 25 1 1 A 135 135 PHE N N 141 128.822 122.644 6.178 1 1 1546 . 25 1 1 A 136 136 ASP H H 142 8.017 7.733 0.284 1 1 1547 . 25 1 1 A 136 136 ASP HA H 142 4.352 4.298 0.054 1 1 1550 . 25 1 1 A 136 136 ASP C C 142 175.358 176.935 -1.577 1 1 1551 . 25 1 1 A 136 136 ASP CA C 142 55.223 55.775 -0.552 1 1 1552 . 25 1 1 A 136 136 ASP CB C 142 40.968 38.786 2.182 1 1 1553 . 25 1 1 A 136 136 ASP N N 142 113.108 119.567 -6.459 1 1 1554 . 25 1 1 A 137 137 LYS H H 143 7.340 7.120 0.220 1 1 1555 . 25 1 1 A 137 137 LYS HA H 143 4.439 4.297 0.142 1 1 1564 . 25 1 1 A 137 137 LYS C C 143 175.571 176.319 -0.748 1 1 1565 . 25 1 1 A 137 137 LYS CA C 143 54.096 57.077 -2.981 1 1 1566 . 25 1 1 A 137 137 LYS CB C 143 32.545 32.722 -0.177 1 1 1570 . 25 1 1 A 137 137 LYS N N 143 117.716 117.216 0.500 1 1 1571 . 25 1 1 A 138 138 LEU H H 144 6.698 7.561 -0.863 1 1 1572 . 25 1 1 A 138 138 LEU HA H 144 3.903 4.577 -0.674 1 1 1582 . 25 1 1 A 138 138 LEU C C 144 174.123 175.091 -0.968 1 1 1583 . 25 1 1 A 138 138 LEU CA C 144 52.843 51.512 1.331 1 1 1584 . 25 1 1 A 138 138 LEU CB C 144 40.993 41.669 -0.676 1 1 1588 . 25 1 1 A 138 138 LEU N N 144 120.536 120.410 0.126 1 1 1589 . 25 1 1 A 139 139 PRO HA H 145 4.040 4.757 -0.717 1 1 1596 . 25 1 1 A 139 139 PRO C C 145 172.700 176.988 -4.288 1 1 1597 . 25 1 1 A 139 139 PRO CA C 145 62.654 62.743 -0.089 1 1 1598 . 25 1 1 A 139 139 PRO CB C 145 30.086 33.510 -3.424 1 1 1601 . 25 1 1 A 140 140 GLU H H 146 8.343 8.992 -0.649 1 1 1602 . 25 1 1 A 140 140 GLU HA H 146 3.970 4.821 -0.851 1 1 1607 . 25 1 1 A 140 140 GLU C C 146 176.009 177.465 -1.456 1 1 1608 . 25 1 1 A 140 140 GLU CA C 146 56.119 56.552 -0.433 1 1 1609 . 25 1 1 A 140 140 GLU CB C 146 30.086 30.672 -0.586 1 1 1611 . 25 1 1 A 140 140 GLU N N 146 119.063 120.924 -1.861 1 1 1612 . 25 1 1 A 141 141 GLY H H 147 7.241 8.456 -1.215 1 1 1613 . 25 1 1 A 141 141 GLY HA2 H 147 3.918 3.598 0.320 1 1 1614 . 25 1 1 A 141 141 GLY HA3 H 147 3.814 3.601 0.213 1 1 1615 . 25 1 1 A 141 141 GLY C C 147 171.657 174.822 -3.165 1 1 1616 . 25 1 1 A 141 141 GLY CA C 147 43.929 47.224 -3.295 1 1 1617 . 25 1 1 A 141 141 GLY N N 147 104.270 109.708 -5.438 1 1 1618 . 25 1 1 A 142 142 GLY H H 148 8.241 7.550 0.691 1 1 1619 . 25 1 1 A 142 142 GLY HA2 H 148 3.710 4.148 -0.438 1 1 1620 . 25 1 1 A 142 142 GLY HA3 H 148 4.350 4.174 0.176 1 1 1621 . 25 1 1 A 142 142 GLY C C 148 171.767 172.077 -0.310 1 1 1622 . 25 1 1 A 142 142 GLY CA C 148 43.649 46.238 -2.589 1 1 1623 . 25 1 1 A 142 142 GLY N N 148 106.996 104.402 2.594 1 1 1624 . 25 1 1 A 143 143 ARG H H 149 8.214 8.626 -0.412 1 1 1625 . 25 1 1 A 143 143 ARG HA H 149 5.376 5.370 0.006 1 1 1632 . 25 1 1 A 143 143 ARG C C 149 174.981 173.917 1.064 1 1 1633 . 25 1 1 A 143 143 ARG CA C 149 54.235 53.877 0.358 1 1 1634 . 25 1 1 A 143 143 ARG CB C 149 32.988 34.273 -1.285 1 1 1637 . 25 1 1 A 143 143 ARG N N 149 117.762 120.705 -2.943 1 1 1638 . 25 1 1 A 144 144 ALA H H 150 9.030 8.821 0.209 1 1 1639 . 25 1 1 A 144 144 ALA HA H 150 4.730 5.013 -0.283 1 1 1643 . 25 1 1 A 144 144 ALA C C 150 175.012 176.187 -1.175 1 1 1644 . 25 1 1 A 144 144 ALA CA C 150 50.732 50.555 0.177 1 1 1645 . 25 1 1 A 144 144 ALA CB C 150 23.448 22.093 1.355 1 1 1646 . 25 1 1 A 144 144 ALA N N 150 126.630 121.436 5.194 1 1 1647 . 25 1 1 A 145 145 THR H H 151 8.560 8.458 0.102 1 1 1648 . 25 1 1 A 145 145 THR HA H 151 4.846 4.560 0.286 1 1 1653 . 25 1 1 A 145 145 THR C C 151 171.870 173.281 -1.411 1 1 1654 . 25 1 1 A 145 145 THR CA C 151 61.997 62.656 -0.659 1 1 1655 . 25 1 1 A 145 145 THR CB C 151 69.746 69.923 -0.177 1 1 1657 . 25 1 1 A 145 145 THR N N 151 117.942 118.091 -0.149 1 1 1658 . 25 1 1 A 146 146 TYR H H 152 10.008 8.787 1.221 1 1 1659 . 25 1 1 A 146 146 TYR HA H 152 4.580 5.237 -0.657 1 1 1666 . 25 1 1 A 146 146 TYR C C 152 174.627 174.519 0.108 1 1 1667 . 25 1 1 A 146 146 TYR CA C 152 55.835 56.249 -0.414 1 1 1668 . 25 1 1 A 146 146 TYR CB C 152 40.094 43.917 -3.823 1 1 1669 . 25 1 1 A 146 146 TYR N N 152 126.097 123.513 2.584 1 1 1670 . 25 1 1 A 147 147 ARG H H 153 8.860 8.735 0.125 1 1 1671 . 25 1 1 A 147 147 ARG HA H 153 5.404 5.018 0.386 1 1 1678 . 25 1 1 A 147 147 ARG C C 153 177.446 174.214 3.232 1 1 1679 . 25 1 1 A 147 147 ARG CA C 153 54.024 54.969 -0.945 1 1 1680 . 25 1 1 A 147 147 ARG CB C 153 33.539 33.886 -0.347 1 1 1683 . 25 1 1 A 147 147 ARG N N 153 121.042 121.830 -0.788 1 1 1684 . 25 1 1 A 148 148 GLY H H 154 8.916 9.131 -0.215 1 1 1685 . 25 1 1 A 148 148 GLY HA2 H 154 4.816 4.241 0.575 1 1 1686 . 25 1 1 A 148 148 GLY HA3 H 154 4.422 4.254 0.168 1 1 1687 . 25 1 1 A 148 148 GLY C C 154 173.831 171.763 2.068 1 1 1688 . 25 1 1 A 148 148 GLY CA C 154 46.752 44.022 2.730 1 1 1689 . 25 1 1 A 148 148 GLY N N 154 114.154 111.993 2.161 1 1 1690 . 25 1 1 A 149 149 THR H H 155 9.063 9.162 -0.099 1 1 1691 . 25 1 1 A 149 149 THR HA H 155 4.711 5.001 -0.290 1 1 1696 . 25 1 1 A 149 149 THR C C 155 170.370 174.147 -3.777 1 1 1697 . 25 1 1 A 149 149 THR CA C 155 62.316 62.806 -0.490 1 1 1698 . 25 1 1 A 149 149 THR CB C 155 72.596 69.919 2.677 1 1 1700 . 25 1 1 A 149 149 THR N N 155 126.410 118.424 7.986 1 1 1701 . 25 1 1 A 150 150 ALA H H 156 7.091 9.120 -2.029 1 1 1702 . 25 1 1 A 150 150 ALA HA H 156 5.289 5.526 -0.237 1 1 1706 . 25 1 1 A 150 150 ALA C C 156 173.965 176.232 -2.267 1 1 1707 . 25 1 1 A 150 150 ALA CA C 156 48.843 50.117 -1.274 1 1 1708 . 25 1 1 A 150 150 ALA CB C 156 22.573 22.299 0.274 1 1 1709 . 25 1 1 A 150 150 ALA N N 156 127.540 129.375 -1.835 1 1 1710 . 25 1 1 A 151 151 PHE H H 157 8.536 8.264 0.272 1 1 1711 . 25 1 1 A 151 151 PHE HA H 157 5.442 5.519 -0.077 1 1 1718 . 25 1 1 A 151 151 PHE C C 157 171.891 173.319 -1.428 1 1 1719 . 25 1 1 A 151 151 PHE CA C 157 53.282 55.442 -2.160 1 1 1720 . 25 1 1 A 151 151 PHE CB C 157 41.020 42.209 -1.189 1 1 1721 . 25 1 1 A 151 151 PHE N N 157 117.013 116.333 0.680 1 1 1722 . 25 1 1 A 152 152 GLY H H 158 8.548 7.952 0.596 1 1 1723 . 25 1 1 A 152 152 GLY HA2 H 158 4.003 3.987 0.016 1 1 1724 . 25 1 1 A 152 152 GLY HA3 H 158 3.124 4.191 -1.067 1 1 1725 . 25 1 1 A 152 152 GLY C C 158 173.148 173.830 -0.682 1 1 1726 . 25 1 1 A 152 152 GLY CA C 158 42.630 45.255 -2.625 1 1 1727 . 25 1 1 A 152 152 GLY N N 158 108.356 107.470 0.886 1 1 1728 . 25 1 1 A 153 153 SER H H 159 7.610 8.797 -1.187 1 1 1729 . 25 1 1 A 153 153 SER HA H 159 3.421 4.117 -0.696 1 1 1732 . 25 1 1 A 153 153 SER C C 159 176.057 174.777 1.280 1 1 1733 . 25 1 1 A 153 153 SER CA C 159 58.787 59.286 -0.499 1 1 1734 . 25 1 1 A 153 153 SER CB C 159 61.886 62.354 -0.468 1 1 1735 . 25 1 1 A 153 153 SER N N 159 115.173 114.127 1.046 1 1 1736 . 25 1 1 A 154 154 ASP H H 160 9.894 7.979 1.915 1 1 1737 . 25 1 1 A 154 154 ASP HA H 160 4.168 4.836 -0.668 1 1 1740 . 25 1 1 A 154 154 ASP C C 160 175.191 175.585 -0.394 1 1 1741 . 25 1 1 A 154 154 ASP CA C 160 55.398 55.637 -0.239 1 1 1742 . 25 1 1 A 154 154 ASP CB C 160 39.212 41.484 -2.272 1 1 1743 . 25 1 1 A 154 154 ASP N N 160 124.828 119.529 5.299 1 1 1744 . 25 1 1 A 155 155 ASP H H 161 7.520 7.976 -0.456 1 1 1745 . 25 1 1 A 155 155 ASP HA H 161 4.568 4.670 -0.102 1 1 1748 . 25 1 1 A 155 155 ASP C C 161 172.658 176.148 -3.490 1 1 1749 . 25 1 1 A 155 155 ASP CA C 161 54.342 54.659 -0.317 1 1 1750 . 25 1 1 A 155 155 ASP CB C 161 40.619 43.825 -3.206 1 1 1751 . 25 1 1 A 155 155 ASP N N 161 116.749 118.649 -1.900 1 1 1752 . 25 1 1 A 156 156 ALA H H 162 8.544 8.176 0.368 1 1 1753 . 25 1 1 A 156 156 ALA HA H 162 4.916 4.065 0.851 1 1 1757 . 25 1 1 A 156 156 ALA C C 162 177.708 177.817 -0.109 1 1 1758 . 25 1 1 A 156 156 ALA CA C 162 49.878 53.395 -3.517 1 1 1759 . 25 1 1 A 156 156 ALA CB C 162 17.473 17.405 0.068 1 1 1760 . 25 1 1 A 156 156 ALA N N 162 128.246 120.303 7.943 1 1 1761 . 25 1 1 A 157 157 GLY H H 163 8.406 8.315 0.091 1 1 1762 . 25 1 1 A 157 157 GLY HA2 H 163 4.286 3.932 0.354 1 1 1763 . 25 1 1 A 157 157 GLY HA3 H 163 3.894 3.960 -0.066 1 1 1764 . 25 1 1 A 157 157 GLY C C 163 174.344 174.635 -0.291 1 1 1765 . 25 1 1 A 157 157 GLY CA C 163 45.049 45.649 -0.600 1 1 1766 . 25 1 1 A 157 157 GLY N N 163 106.545 104.595 1.950 1 1 1767 . 25 1 1 A 158 158 GLY H H 164 7.128 7.941 -0.813 1 1 1768 . 25 1 1 A 158 158 GLY HA2 H 164 4.118 4.076 0.042 1 1 1769 . 25 1 1 A 158 158 GLY HA3 H 164 3.641 4.077 -0.436 1 1 1770 . 25 1 1 A 158 158 GLY C C 164 173.903 174.092 -0.189 1 1 1771 . 25 1 1 A 158 158 GLY CA C 164 45.225 45.464 -0.239 1 1 1772 . 25 1 1 A 158 158 GLY N N 164 106.404 107.244 -0.840 1 1 1773 . 25 1 1 A 159 159 LYS H H 165 9.647 7.456 2.191 1 1 1774 . 25 1 1 A 159 159 LYS HA H 165 5.052 4.120 0.932 1 1 1781 . 25 1 1 A 159 159 LYS C C 165 174.390 176.005 -1.615 1 1 1782 . 25 1 1 A 159 159 LYS CA C 165 53.501 56.675 -3.174 1 1 1783 . 25 1 1 A 159 159 LYS CB C 165 34.622 33.187 1.435 1 1 1786 . 25 1 1 A 159 159 LYS N N 165 123.930 119.553 4.377 1 1 1787 . 25 1 1 A 160 160 LEU H H 166 7.706 8.510 -0.804 1 1 1788 . 25 1 1 A 160 160 LEU HA H 166 4.873 5.209 -0.336 1 1 1798 . 25 1 1 A 160 160 LEU C C 166 174.825 175.400 -0.575 1 1 1799 . 25 1 1 A 160 160 LEU CA C 166 52.677 52.765 -0.088 1 1 1800 . 25 1 1 A 160 160 LEU CB C 166 44.629 46.028 -1.399 1 1 1804 . 25 1 1 A 160 160 LEU N N 166 126.271 119.927 6.344 1 1 1805 . 25 1 1 A 161 161 THR H H 167 8.374 9.057 -0.683 1 1 1806 . 25 1 1 A 161 161 THR HA H 167 4.949 5.070 -0.121 1 1 1811 . 25 1 1 A 161 161 THR C C 167 172.102 173.099 -0.997 1 1 1812 . 25 1 1 A 161 161 THR CA C 167 61.761 62.186 -0.425 1 1 1813 . 25 1 1 A 161 161 THR CB C 167 70.169 70.662 -0.493 1 1 1815 . 25 1 1 A 161 161 THR N N 167 122.977 115.722 7.255 1 1 1816 . 25 1 1 A 162 162 TYR H H 168 9.174 8.823 0.351 1 1 1817 . 25 1 1 A 162 162 TYR HA H 168 4.766 5.452 -0.686 1 1 1824 . 25 1 1 A 162 162 TYR C C 168 172.249 173.852 -1.603 1 1 1825 . 25 1 1 A 162 162 TYR CA C 168 58.162 56.559 1.603 1 1 1826 . 25 1 1 A 162 162 TYR CB C 168 43.746 42.337 1.409 1 1 1827 . 25 1 1 A 162 162 TYR N N 168 128.112 126.662 1.450 1 1 1828 . 25 1 1 A 163 163 THR H H 169 8.711 7.930 0.781 1 1 1829 . 25 1 1 A 163 163 THR HA H 169 5.402 5.148 0.254 1 1 1834 . 25 1 1 A 163 163 THR C C 169 172.520 171.779 0.741 1 1 1835 . 25 1 1 A 163 163 THR CA C 169 60.804 59.895 0.909 1 1 1836 . 25 1 1 A 163 163 THR CB C 169 70.818 71.533 -0.715 1 1 1838 . 25 1 1 A 163 163 THR N N 169 124.549 120.317 4.232 1 1 1839 . 25 1 1 A 164 164 ILE H H 170 8.927 8.921 0.006 1 1 1840 . 25 1 1 A 164 164 ILE HA H 170 4.313 4.996 -0.683 1 1 1850 . 25 1 1 A 164 164 ILE C C 170 173.105 173.414 -0.309 1 1 1851 . 25 1 1 A 164 164 ILE CA C 170 60.595 59.543 1.052 1 1 1852 . 25 1 1 A 164 164 ILE CB C 170 41.274 42.517 -1.243 1 1 1856 . 25 1 1 A 164 164 ILE N N 170 123.685 125.194 -1.509 1 1 1857 . 25 1 1 A 165 165 ASP H H 171 8.372 9.241 -0.869 1 1 1858 . 25 1 1 A 165 165 ASP HA H 171 4.750 5.105 -0.355 1 1 1861 . 25 1 1 A 165 165 ASP C C 171 177.213 176.364 0.849 1 1 1862 . 25 1 1 A 165 165 ASP CA C 171 51.669 53.158 -1.489 1 1 1863 . 25 1 1 A 165 165 ASP CB C 171 41.730 40.436 1.294 1 1 1864 . 25 1 1 A 165 165 ASP N N 171 125.168 128.027 -2.859 1 1 1865 . 25 1 1 A 166 166 PHE H H 172 8.968 8.468 0.500 1 1 1866 . 25 1 1 A 166 166 PHE HA H 172 3.879 4.248 -0.369 1 1 1874 . 25 1 1 A 166 166 PHE C C 172 176.940 177.650 -0.710 1 1 1875 . 25 1 1 A 166 166 PHE CA C 172 61.543 60.714 0.829 1 1 1876 . 25 1 1 A 166 166 PHE CB C 172 37.424 39.082 -1.658 1 1 1877 . 25 1 1 A 166 166 PHE N N 172 123.597 121.691 1.906 1 1 1878 . 25 1 1 A 167 167 ALA H H 173 8.266 8.282 -0.016 1 1 1879 . 25 1 1 A 167 167 ALA HA H 173 4.322 4.206 0.116 1 1 1883 . 25 1 1 A 167 167 ALA C C 173 178.888 178.305 0.583 1 1 1884 . 25 1 1 A 167 167 ALA CA C 173 54.458 54.644 -0.186 1 1 1885 . 25 1 1 A 167 167 ALA CB C 173 17.591 18.198 -0.607 1 1 1886 . 25 1 1 A 167 167 ALA N N 173 122.113 121.382 0.731 1 1 1887 . 25 1 1 A 168 168 ALA H H 174 7.405 7.617 -0.212 1 1 1888 . 25 1 1 A 168 168 ALA HA H 174 4.096 4.370 -0.274 1 1 1892 . 25 1 1 A 168 168 ALA C C 174 176.605 177.043 -0.438 1 1 1893 . 25 1 1 A 168 168 ALA CA C 174 51.225 51.285 -0.060 1 1 1894 . 25 1 1 A 168 168 ALA CB C 174 18.307 19.423 -1.116 1 1 1895 . 25 1 1 A 168 168 ALA N N 174 118.760 119.677 -0.917 1 1 1896 . 25 1 1 A 169 169 LYS H H 175 7.906 7.748 0.158 1 1 1897 . 25 1 1 A 169 169 LYS HA H 175 3.391 3.776 -0.385 1 1 1904 . 25 1 1 A 169 169 LYS C C 175 174.608 174.960 -0.352 1 1 1905 . 25 1 1 A 169 169 LYS CA C 175 57.049 57.280 -0.231 1 1 1906 . 25 1 1 A 169 169 LYS CB C 175 30.051 30.572 -0.521 1 1 1909 . 25 1 1 A 169 169 LYS N N 175 114.394 116.598 -2.204 1 1 1910 . 25 1 1 A 170 170 GLN H H 176 7.629 7.314 0.315 1 1 1911 . 25 1 1 A 170 170 GLN HA H 176 5.414 4.817 0.597 1 1 1918 . 25 1 1 A 170 170 GLN C C 176 174.325 175.547 -1.222 1 1 1919 . 25 1 1 A 170 170 GLN CA C 176 54.393 54.320 0.073 1 1 1920 . 25 1 1 A 170 170 GLN CB C 176 34.771 30.919 3.852 1 1 1922 . 25 1 1 A 170 170 GLN N N 176 116.433 118.070 -1.637 1 1 1924 . 25 1 1 A 171 171 GLY H H 177 8.854 9.120 -0.266 1 1 1925 . 25 1 1 A 171 171 GLY HA2 H 177 5.205 4.065 1.140 1 1 1926 . 25 1 1 A 171 171 GLY HA3 H 177 3.526 4.149 -0.623 1 1 1927 . 25 1 1 A 171 171 GLY C C 177 170.842 172.758 -1.916 1 1 1928 . 25 1 1 A 171 171 GLY CA C 177 44.621 44.520 0.101 1 1 1929 . 25 1 1 A 171 171 GLY N N 177 110.189 111.248 -1.059 1 1 1930 . 25 1 1 A 172 172 ASN H H 178 7.637 8.305 -0.668 1 1 1931 . 25 1 1 A 172 172 ASN HA H 178 4.224 5.161 -0.937 1 1 1936 . 25 1 1 A 172 172 ASN C C 178 171.546 173.485 -1.939 1 1 1937 . 25 1 1 A 172 172 ASN CA C 178 53.729 52.088 1.641 1 1 1938 . 25 1 1 A 172 172 ASN CB C 178 41.543 42.552 -1.009 1 1 1939 . 25 1 1 A 172 172 ASN N N 178 112.667 118.196 -5.529 1 1 1941 . 25 1 1 A 173 173 GLY H H 179 9.103 8.321 0.782 1 1 1942 . 25 1 1 A 173 173 GLY HA2 H 179 4.491 4.211 0.280 1 1 1943 . 25 1 1 A 173 173 GLY HA3 H 179 4.084 4.227 -0.143 1 1 1944 . 25 1 1 A 173 173 GLY C C 179 172.400 171.468 0.932 1 1 1945 . 25 1 1 A 173 173 GLY CA C 179 47.199 45.906 1.293 1 1 1946 . 25 1 1 A 173 173 GLY N N 179 106.686 107.737 -1.051 1 1 1947 . 25 1 1 A 174 174 LYS H H 180 9.179 8.400 0.779 1 1 1948 . 25 1 1 A 174 174 LYS HA H 180 4.821 4.944 -0.123 1 1 1957 . 25 1 1 A 174 174 LYS C C 180 172.518 174.690 -2.172 1 1 1958 . 25 1 1 A 174 174 LYS CA C 180 56.617 55.002 1.615 1 1 1959 . 25 1 1 A 174 174 LYS CB C 180 35.373 35.771 -0.398 1 1 1963 . 25 1 1 A 174 174 LYS N N 180 121.816 116.482 5.334 1 1 1964 . 25 1 1 A 175 175 ILE H H 181 8.351 8.709 -0.358 1 1 1965 . 25 1 1 A 175 175 ILE HA H 181 4.581 4.446 0.135 1 1 1973 . 25 1 1 A 175 175 ILE C C 181 173.997 175.565 -1.568 1 1 1974 . 25 1 1 A 175 175 ILE CA C 181 60.490 60.380 0.110 1 1 1975 . 25 1 1 A 175 175 ILE CB C 181 39.573 38.099 1.474 1 1 1978 . 25 1 1 A 175 175 ILE N N 181 123.400 123.007 0.393 1 1 1979 . 25 1 1 A 176 176 GLU H H 182 8.492 8.305 0.187 1 1 1980 . 25 1 1 A 176 176 GLU HA H 182 4.471 5.133 -0.662 1 1 1985 . 25 1 1 A 176 176 GLU C C 182 175.392 175.231 0.161 1 1 1986 . 25 1 1 A 176 176 GLU CA C 182 53.410 56.259 -2.849 1 1 1987 . 25 1 1 A 176 176 GLU CB C 182 35.479 32.548 2.931 1 1 1989 . 25 1 1 A 176 176 GLU N N 182 122.287 124.978 -2.691 1 1 1990 . 25 1 1 A 177 177 HIS H H 183 8.431 8.405 0.026 1 1 1991 . 25 1 1 A 177 177 HIS HA H 183 3.975 4.722 -0.747 1 1 1996 . 25 1 1 A 177 177 HIS C C 183 176.008 174.306 1.702 1 1 1997 . 25 1 1 A 177 177 HIS CA C 183 57.533 56.277 1.256 1 1 1998 . 25 1 1 A 177 177 HIS CB C 183 27.362 32.214 -4.852 1 1 1999 . 25 1 1 A 177 177 HIS N N 183 109.605 124.701 -15.096 1 1 2000 . 25 1 1 A 178 178 LEU H H 184 9.603 8.015 1.588 1 1 2001 . 25 1 1 A 178 178 LEU HA H 184 4.276 4.350 -0.074 1 1 2011 . 25 1 1 A 178 178 LEU C C 184 178.805 177.961 0.844 1 1 2012 . 25 1 1 A 178 178 LEU CA C 184 56.034 53.949 2.085 1 1 2013 . 25 1 1 A 178 178 LEU CB C 184 39.882 42.212 -2.330 1 1 2017 . 25 1 1 A 178 178 LEU N N 184 124.374 120.437 3.937 1 1 2018 . 25 1 1 A 179 179 LYS H H 185 10.002 8.809 1.193 1 1 2019 . 25 1 1 A 179 179 LYS HA H 185 3.682 4.072 -0.390 1 1 2028 . 25 1 1 A 179 179 LYS C C 185 177.660 176.303 1.357 1 1 2029 . 25 1 1 A 179 179 LYS CA C 185 57.721 58.541 -0.820 1 1 2030 . 25 1 1 A 179 179 LYS CB C 185 31.949 32.142 -0.193 1 1 2034 . 25 1 1 A 179 179 LYS N N 185 122.880 121.006 1.874 1 1 2035 . 25 1 1 A 180 180 SER H H 186 7.262 7.809 -0.547 1 1 2036 . 25 1 1 A 180 180 SER HA H 186 4.672 4.934 -0.262 1 1 2039 . 25 1 1 A 180 180 SER C C 186 173.086 173.948 -0.862 1 1 2040 . 25 1 1 A 180 180 SER CA C 186 54.576 55.971 -1.395 1 1 2041 . 25 1 1 A 180 180 SER CB C 186 62.715 65.503 -2.788 1 1 2042 . 25 1 1 A 180 180 SER N N 186 115.187 115.702 -0.515 1 1 2043 . 25 1 1 A 181 181 PRO HA H 187 3.956 4.299 -0.343 1 1 2050 . 25 1 1 A 181 181 PRO CA C 187 65.359 65.722 -0.363 1 1 2051 . 25 1 1 A 181 181 PRO CB C 187 32.061 31.684 0.377 1 1 2054 . 25 1 1 A 182 182 GLU H H 188 8.076 8.688 -0.612 1 1 2055 . 25 1 1 A 182 182 GLU HA H 188 3.011 4.117 -1.106 1 1 2060 . 25 1 1 A 182 182 GLU C C 188 173.944 179.047 -5.103 1 1 2061 . 25 1 1 A 182 182 GLU CA C 188 56.597 58.939 -2.342 1 1 2062 . 25 1 1 A 182 182 GLU CB C 188 29.581 28.934 0.647 1 1 2064 . 25 1 1 A 182 182 GLU N N 188 113.034 118.050 -5.016 1 1 2065 . 25 1 1 A 183 183 LEU H H 189 7.126 7.747 -0.621 1 1 2066 . 25 1 1 A 183 183 LEU HA H 189 3.970 4.289 -0.319 1 1 2076 . 25 1 1 A 183 183 LEU C C 189 175.597 177.288 -1.691 1 1 2077 . 25 1 1 A 183 183 LEU CA C 189 53.849 56.569 -2.720 1 1 2078 . 25 1 1 A 183 183 LEU CB C 189 41.152 42.449 -1.297 1 1 2082 . 25 1 1 A 183 183 LEU N N 189 112.896 119.033 -6.137 1 1 2083 . 25 1 1 A 184 184 ASN H H 190 6.952 8.040 -1.088 1 1 2084 . 25 1 1 A 184 184 ASN HA H 190 4.596 4.761 -0.165 1 1 2089 . 25 1 1 A 184 184 ASN C C 190 175.694 174.542 1.152 1 1 2090 . 25 1 1 A 184 184 ASN CA C 190 53.200 52.938 0.262 1 1 2091 . 25 1 1 A 184 184 ASN CB C 190 36.466 39.593 -3.127 1 1 2092 . 25 1 1 A 184 184 ASN N N 190 117.865 116.870 0.995 1 1 2094 . 25 1 1 A 185 185 VAL H H 191 7.178 8.718 -1.540 1 1 2095 . 25 1 1 A 185 185 VAL HA H 191 4.480 4.846 -0.366 1 1 2103 . 25 1 1 A 185 185 VAL C C 191 174.874 174.837 0.037 1 1 2104 . 25 1 1 A 185 185 VAL CA C 191 59.753 58.913 0.840 1 1 2105 . 25 1 1 A 185 185 VAL CB C 191 33.035 34.845 -1.810 1 1 2108 . 25 1 1 A 185 185 VAL N N 191 113.276 117.328 -4.052 1 1 2109 . 25 1 1 A 186 186 ASP H H 192 8.827 8.523 0.304 1 1 2110 . 25 1 1 A 186 186 ASP HA H 192 4.779 4.895 -0.116 1 1 2113 . 25 1 1 A 186 186 ASP C C 192 174.919 175.018 -0.099 1 1 2114 . 25 1 1 A 186 186 ASP CA C 192 54.058 54.534 -0.476 1 1 2115 . 25 1 1 A 186 186 ASP CB C 192 41.635 42.381 -0.746 1 1 2116 . 25 1 1 A 186 186 ASP N N 192 118.111 121.605 -3.494 1 1 2117 . 25 1 1 A 187 187 LEU H H 193 8.375 8.356 0.019 1 1 2118 . 25 1 1 A 187 187 LEU HA H 193 4.146 4.954 -0.808 1 1 2127 . 25 1 1 A 187 187 LEU CA C 193 52.331 53.651 -1.320 1 1 2128 . 25 1 1 A 187 187 LEU CB C 193 38.187 44.338 -6.151 1 1 2131 . 25 1 1 A 187 187 LEU N N 193 123.130 125.284 -2.154 1 1 2132 . 25 1 1 A 188 188 ALA H H 194 8.225 8.423 -0.198 1 1 2133 . 25 1 1 A 188 188 ALA HA H 194 4.098 4.485 -0.387 1 1 2137 . 25 1 1 A 188 188 ALA C C 194 176.239 177.210 -0.971 1 1 2138 . 25 1 1 A 188 188 ALA CA C 194 52.498 51.957 0.541 1 1 2139 . 25 1 1 A 188 188 ALA CB C 194 20.030 19.080 0.950 1 1 2140 . 25 1 1 A 188 188 ALA N N 194 126.289 128.758 -2.469 1 1 2141 . 25 1 1 A 189 189 ALA H H 195 8.275 7.942 0.333 1 1 2142 . 25 1 1 A 189 189 ALA HA H 195 4.862 4.282 0.580 1 1 2146 . 25 1 1 A 189 189 ALA C C 195 178.131 177.735 0.396 1 1 2147 . 25 1 1 A 189 189 ALA CA C 195 51.822 53.167 -1.345 1 1 2148 . 25 1 1 A 189 189 ALA CB C 195 17.367 18.956 -1.589 1 1 2149 . 25 1 1 A 189 189 ALA N N 195 122.010 125.856 -3.846 1 1 2150 . 25 1 1 A 190 190 ALA H H 196 8.823 8.880 -0.057 1 1 2151 . 25 1 1 A 190 190 ALA HA H 196 4.634 5.019 -0.385 1 1 2155 . 25 1 1 A 190 190 ALA C C 196 175.141 175.739 -0.598 1 1 2156 . 25 1 1 A 190 190 ALA CA C 196 50.420 51.139 -0.719 1 1 2157 . 25 1 1 A 190 190 ALA CB C 196 23.461 22.930 0.531 1 1 2158 . 25 1 1 A 190 190 ALA N N 196 126.018 124.490 1.528 1 1 2159 . 25 1 1 A 191 191 ASP H H 197 8.365 8.605 -0.240 1 1 2160 . 25 1 1 A 191 191 ASP HA H 197 5.160 4.696 0.464 1 1 2163 . 25 1 1 A 191 191 ASP C C 197 176.028 175.949 0.079 1 1 2164 . 25 1 1 A 191 191 ASP CA C 197 54.034 53.297 0.737 1 1 2165 . 25 1 1 A 191 191 ASP CB C 197 41.691 41.809 -0.118 1 1 2166 . 25 1 1 A 191 191 ASP N N 197 118.646 121.849 -3.203 1 1 2167 . 25 1 1 A 192 192 ILE H H 198 7.915 7.786 0.129 1 1 2168 . 25 1 1 A 192 192 ILE HA H 198 4.315 4.082 0.233 1 1 2178 . 25 1 1 A 192 192 ILE C C 198 174.684 175.556 -0.872 1 1 2179 . 25 1 1 A 192 192 ILE CA C 198 60.951 62.112 -1.161 1 1 2180 . 25 1 1 A 192 192 ILE CB C 198 41.989 37.804 4.185 1 1 2184 . 25 1 1 A 192 192 ILE N N 198 119.664 121.646 -1.982 1 1 2185 . 25 1 1 A 193 193 LYS H H 199 9.175 9.032 0.143 1 1 2186 . 25 1 1 A 193 193 LYS HA H 199 4.530 4.683 -0.153 1 1 2195 . 25 1 1 A 193 193 LYS C C 199 172.639 173.950 -1.311 1 1 2196 . 25 1 1 A 193 193 LYS CA C 199 53.361 52.837 0.524 1 1 2197 . 25 1 1 A 193 193 LYS CB C 199 34.758 34.361 0.397 1 1 2201 . 25 1 1 A 193 193 LYS N N 199 127.122 126.319 0.803 1 1 2202 . 25 1 1 A 195 195 ASP H H 201 8.390 9.083 -0.693 1 1 2203 . 25 1 1 A 195 195 ASP HA H 201 4.550 4.843 -0.293 1 1 2206 . 25 1 1 A 195 195 ASP C C 201 179.300 175.601 3.699 1 1 2207 . 25 1 1 A 195 195 ASP CA C 201 51.354 55.158 -3.804 1 1 2208 . 25 1 1 A 195 195 ASP CB C 201 40.324 43.563 -3.239 1 1 2209 . 25 1 1 A 195 195 ASP N N 201 123.239 121.376 1.863 1 1 2210 . 25 1 1 A 196 196 GLY HA2 H 202 3.718 4.049 -0.331 1 1 2211 . 25 1 1 A 196 196 GLY HA3 H 202 3.437 4.052 -0.615 1 1 2212 . 25 1 1 A 196 196 GLY CA C 202 46.527 45.727 0.800 1 1 2213 . 25 1 1 A 197 197 LYS H H 203 7.740 8.773 -1.033 1 1 2214 . 25 1 1 A 197 197 LYS HA H 203 4.118 4.131 -0.013 1 1 2221 . 25 1 1 A 197 197 LYS C C 203 174.941 176.880 -1.939 1 1 2222 . 25 1 1 A 197 197 LYS CA C 203 55.054 58.521 -3.467 1 1 2223 . 25 1 1 A 197 197 LYS CB C 203 31.192 31.977 -0.785 1 1 2226 . 25 1 1 A 197 197 LYS N N 203 120.305 118.350 1.955 1 1 2227 . 25 1 1 A 198 198 ARG H H 204 8.059 7.916 0.143 1 1 2228 . 25 1 1 A 198 198 ARG HA H 204 3.441 4.567 -1.126 1 1 2235 . 25 1 1 A 198 198 ARG C C 204 175.152 175.326 -0.174 1 1 2236 . 25 1 1 A 198 198 ARG CA C 204 56.911 56.020 0.891 1 1 2237 . 25 1 1 A 198 198 ARG CB C 204 26.584 32.154 -5.570 1 1 2240 . 25 1 1 A 198 198 ARG N N 204 111.796 114.855 -3.059 1 1 2241 . 25 1 1 A 199 199 HIS H H 205 8.531 7.750 0.781 1 1 2242 . 25 1 1 A 199 199 HIS HA H 205 4.812 5.250 -0.438 1 1 2247 . 25 1 1 A 199 199 HIS C C 205 174.866 174.958 -0.092 1 1 2248 . 25 1 1 A 199 199 HIS CA C 205 53.700 55.260 -1.560 1 1 2249 . 25 1 1 A 199 199 HIS CB C 205 27.838 31.912 -4.074 1 1 2250 . 25 1 1 A 199 199 HIS N N 205 120.255 118.691 1.564 1 1 2251 . 25 1 1 A 200 200 ALA H H 206 8.492 8.965 -0.473 1 1 2252 . 25 1 1 A 200 200 ALA HA H 206 4.615 5.115 -0.500 1 1 2256 . 25 1 1 A 200 200 ALA C C 206 175.840 175.270 0.570 1 1 2257 . 25 1 1 A 200 200 ALA CA C 206 52.247 50.798 1.449 1 1 2258 . 25 1 1 A 200 200 ALA CB C 206 19.838 24.392 -4.554 1 1 2259 . 25 1 1 A 200 200 ALA N N 206 123.237 123.116 0.121 1 1 2260 . 25 1 1 A 201 201 VAL H H 207 9.174 8.486 0.688 1 1 2261 . 25 1 1 A 201 201 VAL HA H 207 4.976 4.781 0.195 1 1 2269 . 25 1 1 A 201 201 VAL C C 207 173.390 174.059 -0.669 1 1 2270 . 25 1 1 A 201 201 VAL CA C 207 60.775 58.999 1.776 1 1 2271 . 25 1 1 A 201 201 VAL CB C 207 35.488 36.201 -0.713 1 1 2274 . 25 1 1 A 201 201 VAL N N 207 123.250 111.588 11.662 1 1 2275 . 25 1 1 A 202 202 ILE H H 208 8.887 8.522 0.365 1 1 2276 . 25 1 1 A 202 202 ILE HA H 208 4.312 4.756 -0.444 1 1 2286 . 25 1 1 A 202 202 ILE C C 208 174.670 174.306 0.364 1 1 2287 . 25 1 1 A 202 202 ILE CA C 208 60.815 59.522 1.293 1 1 2288 . 25 1 1 A 202 202 ILE CB C 208 41.576 39.789 1.787 1 1 2292 . 25 1 1 A 202 202 ILE N N 208 122.699 122.401 0.298 1 1 2293 . 25 1 1 A 203 203 SER H H 209 8.416 8.758 -0.342 1 1 2294 . 25 1 1 A 203 203 SER HA H 209 4.913 5.036 -0.123 1 1 2297 . 25 1 1 A 203 203 SER C C 209 172.984 173.079 -0.095 1 1 2298 . 25 1 1 A 203 203 SER CA C 209 55.676 56.233 -0.557 1 1 2299 . 25 1 1 A 203 203 SER CB C 209 64.355 65.220 -0.865 1 1 2300 . 25 1 1 A 203 203 SER N N 209 122.067 122.510 -0.443 1 1 2301 . 25 1 1 A 204 204 GLY H H 210 7.292 7.908 -0.616 1 1 2302 . 25 1 1 A 204 204 GLY HA2 H 210 4.432 4.240 0.192 1 1 2303 . 25 1 1 A 204 204 GLY HA3 H 210 3.352 4.265 -0.913 1 1 2304 . 25 1 1 A 204 204 GLY C C 210 172.482 172.429 0.053 1 1 2305 . 25 1 1 A 204 204 GLY CA C 210 45.167 45.141 0.026 1 1 2306 . 25 1 1 A 204 204 GLY N N 210 110.488 113.411 -2.923 1 1 2307 . 25 1 1 A 205 205 SER H H 211 8.652 8.834 -0.182 1 1 2308 . 25 1 1 A 205 205 SER HA H 211 5.027 5.387 -0.360 1 1 2311 . 25 1 1 A 205 205 SER C C 211 172.852 173.336 -0.484 1 1 2312 . 25 1 1 A 205 205 SER CA C 211 58.806 57.688 1.118 1 1 2313 . 25 1 1 A 205 205 SER CB C 211 64.384 65.797 -1.413 1 1 2314 . 25 1 1 A 205 205 SER N N 211 116.497 117.336 -0.839 1 1 2315 . 25 1 1 A 206 206 VAL H H 212 7.400 8.679 -1.279 1 1 2316 . 25 1 1 A 206 206 VAL HA H 212 5.032 4.686 0.346 1 1 2324 . 25 1 1 A 206 206 VAL C C 212 174.500 175.141 -0.641 1 1 2325 . 25 1 1 A 206 206 VAL CA C 212 58.764 61.109 -2.345 1 1 2326 . 25 1 1 A 206 206 VAL CB C 212 30.512 35.040 -4.528 1 1 2329 . 25 1 1 A 206 206 VAL N N 212 117.101 124.486 -7.385 1 1 2330 . 25 1 1 A 207 207 LEU H H 213 8.961 8.723 0.238 1 1 2331 . 25 1 1 A 207 207 LEU HA H 213 5.312 4.837 0.475 1 1 2341 . 25 1 1 A 207 207 LEU C C 213 175.520 175.459 0.061 1 1 2342 . 25 1 1 A 207 207 LEU CA C 213 52.630 53.810 -1.180 1 1 2343 . 25 1 1 A 207 207 LEU CB C 213 45.567 43.685 1.882 1 1 2347 . 25 1 1 A 207 207 LEU N N 213 124.185 127.501 -3.316 1 1 2348 . 25 1 1 A 208 208 TYR H H 214 8.836 8.813 0.023 1 1 2349 . 25 1 1 A 208 208 TYR HA H 214 4.766 4.657 0.109 1 1 2356 . 25 1 1 A 208 208 TYR C C 214 175.964 175.177 0.787 1 1 2357 . 25 1 1 A 208 208 TYR CA C 214 56.943 57.975 -1.032 1 1 2358 . 25 1 1 A 208 208 TYR CB C 214 41.736 42.217 -0.481 1 1 2359 . 25 1 1 A 208 208 TYR N N 214 120.202 120.486 -0.284 1 1 2360 . 25 1 1 A 209 209 ASN H H 215 9.292 9.642 -0.350 1 1 2361 . 25 1 1 A 209 209 ASN HA H 215 4.001 4.425 -0.424 1 1 2366 . 25 1 1 A 209 209 ASN C C 215 174.336 174.310 0.026 1 1 2367 . 25 1 1 A 209 209 ASN CA C 215 53.923 54.204 -0.281 1 1 2368 . 25 1 1 A 209 209 ASN CB C 215 36.468 37.280 -0.812 1 1 2369 . 25 1 1 A 209 209 ASN N N 215 129.805 123.418 6.387 1 1 2371 . 25 1 1 A 210 210 GLN H H 216 8.614 8.523 0.091 1 1 2372 . 25 1 1 A 210 210 GLN HA H 216 3.453 3.871 -0.418 1 1 2379 . 25 1 1 A 210 210 GLN C C 216 173.521 174.209 -0.688 1 1 2380 . 25 1 1 A 210 210 GLN CA C 216 57.881 57.463 0.418 1 1 2381 . 25 1 1 A 210 210 GLN CB C 216 26.089 26.986 -0.897 1 1 2383 . 25 1 1 A 210 210 GLN N N 216 106.396 110.122 -3.726 1 1 2385 . 25 1 1 A 211 211 ALA H H 217 7.657 7.648 0.009 1 1 2386 . 25 1 1 A 211 211 ALA HA H 217 4.608 4.648 -0.040 1 1 2390 . 25 1 1 A 211 211 ALA C C 217 176.432 175.621 0.811 1 1 2391 . 25 1 1 A 211 211 ALA CA C 217 50.786 52.101 -1.315 1 1 2392 . 25 1 1 A 211 211 ALA CB C 217 20.499 20.648 -0.149 1 1 2393 . 25 1 1 A 211 211 ALA N N 217 123.338 119.901 3.437 1 1 2394 . 25 1 1 A 212 212 GLU H H 218 8.712 8.710 0.002 1 1 2395 . 25 1 1 A 212 212 GLU HA H 218 4.525 4.826 -0.301 1 1 2400 . 25 1 1 A 212 212 GLU C C 218 177.924 174.214 3.710 1 1 2401 . 25 1 1 A 212 212 GLU CA C 218 57.550 55.890 1.660 1 1 2402 . 25 1 1 A 212 212 GLU CB C 218 28.811 33.503 -4.692 1 1 2404 . 25 1 1 A 212 212 GLU N N 218 122.631 121.992 0.639 1 1 2405 . 25 1 1 A 213 213 LYS H H 219 8.835 8.702 0.133 1 1 2406 . 25 1 1 A 213 213 LYS HA H 219 4.612 4.874 -0.262 1 1 2415 . 25 1 1 A 213 213 LYS C C 219 173.786 175.402 -1.616 1 1 2416 . 25 1 1 A 213 213 LYS CA C 219 53.115 55.193 -2.078 1 1 2417 . 25 1 1 A 213 213 LYS CB C 219 34.180 32.995 1.185 1 1 2421 . 25 1 1 A 213 213 LYS N N 219 126.870 124.061 2.809 1 1 2422 . 25 1 1 A 214 214 GLY H H 220 7.929 9.074 -1.145 1 1 2423 . 25 1 1 A 214 214 GLY HA2 H 220 5.469 4.151 1.318 1 1 2424 . 25 1 1 A 214 214 GLY HA3 H 220 3.719 4.173 -0.454 1 1 2425 . 25 1 1 A 214 214 GLY C C 220 173.926 173.224 0.702 1 1 2426 . 25 1 1 A 214 214 GLY CA C 220 44.536 44.074 0.462 1 1 2427 . 25 1 1 A 214 214 GLY N N 220 107.019 114.202 -7.183 1 1 2428 . 25 1 1 A 215 215 SER H H 221 8.678 9.020 -0.342 1 1 2429 . 25 1 1 A 215 215 SER HA H 221 5.460 5.477 -0.017 1 1 2432 . 25 1 1 A 215 215 SER C C 221 171.043 172.553 -1.510 1 1 2433 . 25 1 1 A 215 215 SER CA C 221 56.810 57.538 -0.728 1 1 2434 . 25 1 1 A 215 215 SER CB C 221 66.671 66.338 0.333 1 1 2435 . 25 1 1 A 215 215 SER N N 221 117.334 115.387 1.947 1 1 2436 . 25 1 1 A 216 216 TYR H H 222 8.958 9.031 -0.073 1 1 2437 . 25 1 1 A 216 216 TYR HA H 222 5.389 5.791 -0.402 1 1 2445 . 25 1 1 A 216 216 TYR C C 222 172.789 174.133 -1.344 1 1 2446 . 25 1 1 A 216 216 TYR CA C 222 55.819 55.397 0.422 1 1 2447 . 25 1 1 A 216 216 TYR CB C 222 41.681 42.346 -0.665 1 1 2448 . 25 1 1 A 216 216 TYR N N 222 117.645 119.914 -2.269 1 1 2449 . 25 1 1 A 217 217 SER H H 223 8.837 8.788 0.049 1 1 2450 . 25 1 1 A 217 217 SER HA H 223 5.165 5.304 -0.139 1 1 2453 . 25 1 1 A 217 217 SER C C 223 173.125 173.171 -0.046 1 1 2454 . 25 1 1 A 217 217 SER CA C 223 56.600 57.419 -0.819 1 1 2455 . 25 1 1 A 217 217 SER CB C 223 64.500 65.295 -0.795 1 1 2456 . 25 1 1 A 217 217 SER N N 223 115.593 117.348 -1.755 1 1 2457 . 25 1 1 A 218 218 LEU H H 224 9.299 8.622 0.677 1 1 2458 . 25 1 1 A 218 218 LEU HA H 224 4.748 5.019 -0.271 1 1 2468 . 25 1 1 A 218 218 LEU C C 224 175.567 174.735 0.832 1 1 2469 . 25 1 1 A 218 218 LEU CA C 224 53.138 53.360 -0.222 1 1 2470 . 25 1 1 A 218 218 LEU CB C 224 46.255 45.374 0.881 1 1 2474 . 25 1 1 A 218 218 LEU N N 224 123.523 121.932 1.591 1 1 2475 . 25 1 1 A 219 219 GLY H H 225 9.041 8.226 0.815 1 1 2476 . 25 1 1 A 219 219 GLY HA2 H 225 4.620 3.363 1.257 1 1 2477 . 25 1 1 A 219 219 GLY HA3 H 225 3.413 3.827 -0.414 1 1 2478 . 25 1 1 A 219 219 GLY C C 225 171.514 171.526 -0.012 1 1 2479 . 25 1 1 A 219 219 GLY CA C 225 43.777 43.321 0.456 1 1 2480 . 25 1 1 A 219 219 GLY N N 225 108.999 105.972 3.027 1 1 2481 . 25 1 1 A 220 220 ILE H H 226 6.853 8.024 -1.171 1 1 2482 . 25 1 1 A 220 220 ILE HA H 226 4.615 4.365 0.250 1 1 2492 . 25 1 1 A 220 220 ILE C C 226 174.750 175.288 -0.538 1 1 2493 . 25 1 1 A 220 220 ILE CA C 226 60.421 61.086 -0.665 1 1 2494 . 25 1 1 A 220 220 ILE CB C 226 38.213 38.246 -0.033 1 1 2498 . 25 1 1 A 220 220 ILE N N 226 120.223 121.107 -0.884 1 1 2499 . 25 1 1 A 221 221 PHE H H 227 9.392 8.876 0.516 1 1 2500 . 25 1 1 A 221 221 PHE HA H 227 4.770 5.083 -0.313 1 1 2507 . 25 1 1 A 221 221 PHE C C 227 175.093 175.471 -0.378 1 1 2508 . 25 1 1 A 221 221 PHE CA C 227 58.053 56.500 1.553 1 1 2509 . 25 1 1 A 221 221 PHE CB C 227 42.505 42.287 0.218 1 1 2510 . 25 1 1 A 221 221 PHE N N 227 128.229 124.730 3.499 1 1 2511 . 25 1 1 A 222 222 GLY H H 228 8.675 8.919 -0.244 1 1 2512 . 25 1 1 A 222 222 GLY HA2 H 228 3.174 3.995 -0.821 1 1 2513 . 25 1 1 A 222 222 GLY HA3 H 228 4.311 4.022 0.289 1 1 2514 . 25 1 1 A 222 222 GLY CA C 228 42.438 46.359 -3.921 1 1 2515 . 25 1 1 A 222 222 GLY N N 228 104.634 110.752 -6.118 1 1 2516 . 25 1 1 A 223 223 GLY CA C 229 46.870 45.914 0.956 1 1 2517 . 25 1 1 A 224 224 LYS H H 230 8.366 8.421 -0.055 1 1 2518 . 25 1 1 A 224 224 LYS HA H 230 4.305 4.790 -0.485 1 1 2523 . 25 1 1 A 224 224 LYS C C 230 174.717 175.705 -0.988 1 1 2524 . 25 1 1 A 224 224 LYS CA C 230 54.119 57.831 -3.712 1 1 2525 . 25 1 1 A 224 224 LYS CB C 230 30.821 35.439 -4.618 1 1 2527 . 25 1 1 A 224 224 LYS N N 230 118.720 120.332 -1.612 1 1 2528 . 25 1 1 A 225 225 ALA H H 231 7.633 7.671 -0.038 1 1 2529 . 25 1 1 A 225 225 ALA HA H 231 3.810 4.654 -0.844 1 1 2533 . 25 1 1 A 225 225 ALA C C 231 176.702 176.667 0.035 1 1 2534 . 25 1 1 A 225 225 ALA CA C 231 51.868 52.344 -0.476 1 1 2535 . 25 1 1 A 225 225 ALA CB C 231 16.117 20.146 -4.029 1 1 2536 . 25 1 1 A 225 225 ALA N N 231 118.077 119.710 -1.633 1 1 2537 . 25 1 1 A 226 226 GLN H H 232 9.387 9.087 0.300 1 1 2538 . 25 1 1 A 226 226 GLN HA H 232 3.877 4.876 -0.999 1 1 2543 . 25 1 1 A 226 226 GLN C C 232 175.992 175.638 0.354 1 1 2544 . 25 1 1 A 226 226 GLN CA C 232 60.989 56.620 4.369 1 1 2545 . 25 1 1 A 226 226 GLN CB C 232 28.695 31.693 -2.998 1 1 2547 . 25 1 1 A 226 226 GLN N N 232 117.991 121.617 -3.626 1 1 2548 . 25 1 1 A 227 227 GLU H H 233 8.825 7.687 1.138 1 1 2549 . 25 1 1 A 227 227 GLU HA H 233 5.411 4.659 0.752 1 1 2554 . 25 1 1 A 227 227 GLU C C 233 174.939 173.696 1.243 1 1 2555 . 25 1 1 A 227 227 GLU CA C 233 54.289 55.447 -1.158 1 1 2556 . 25 1 1 A 227 227 GLU CB C 233 33.797 31.789 2.008 1 1 2558 . 25 1 1 A 227 227 GLU N N 233 116.638 114.766 1.872 1 1 2559 . 25 1 1 A 228 228 VAL H H 234 8.343 8.680 -0.337 1 1 2560 . 25 1 1 A 228 228 VAL HA H 234 5.544 4.949 0.595 1 1 2568 . 25 1 1 A 228 228 VAL C C 234 174.839 174.294 0.545 1 1 2569 . 25 1 1 A 228 228 VAL CA C 234 57.867 59.909 -2.042 1 1 2570 . 25 1 1 A 228 228 VAL CB C 234 35.379 35.285 0.094 1 1 2573 . 25 1 1 A 228 228 VAL N N 234 109.304 115.725 -6.421 1 1 2574 . 25 1 1 A 229 229 ALA H H 235 8.475 8.363 0.112 1 1 2575 . 25 1 1 A 229 229 ALA HA H 235 4.937 5.063 -0.126 1 1 2579 . 25 1 1 A 229 229 ALA C C 235 176.417 175.967 0.450 1 1 2580 . 25 1 1 A 229 229 ALA CA C 235 51.303 51.170 0.133 1 1 2581 . 25 1 1 A 229 229 ALA CB C 235 20.301 23.321 -3.020 1 1 2582 . 25 1 1 A 229 229 ALA N N 235 120.653 124.457 -3.804 1 1 2583 . 25 1 1 A 230 230 GLY H H 236 9.361 7.882 1.479 1 1 2584 . 25 1 1 A 230 230 GLY HA2 H 236 5.075 4.247 0.828 1 1 2585 . 25 1 1 A 230 230 GLY HA3 H 236 4.017 4.314 -0.297 1 1 2586 . 25 1 1 A 230 230 GLY C C 236 170.130 172.002 -1.872 1 1 2587 . 25 1 1 A 230 230 GLY CA C 236 46.221 45.816 0.405 1 1 2588 . 25 1 1 A 230 230 GLY N N 236 111.104 105.838 5.266 1 1 2589 . 25 1 1 A 231 231 SER H H 237 8.889 8.777 0.112 1 1 2590 . 25 1 1 A 231 231 SER HA H 237 5.276 5.449 -0.173 1 1 2593 . 25 1 1 A 231 231 SER C C 237 171.360 173.139 -1.779 1 1 2594 . 25 1 1 A 231 231 SER CA C 237 56.498 57.207 -0.709 1 1 2595 . 25 1 1 A 231 231 SER CB C 237 66.398 66.627 -0.229 1 1 2596 . 25 1 1 A 231 231 SER N N 237 115.308 115.939 -0.631 1 1 2597 . 25 1 1 A 232 232 ALA H H 238 9.083 8.595 0.488 1 1 2598 . 25 1 1 A 232 232 ALA HA H 238 5.148 5.339 -0.191 1 1 2602 . 25 1 1 A 232 232 ALA C C 238 174.537 175.555 -1.018 1 1 2603 . 25 1 1 A 232 232 ALA CA C 238 49.904 50.892 -0.988 1 1 2604 . 25 1 1 A 232 232 ALA CB C 238 21.729 22.795 -1.066 1 1 2605 . 25 1 1 A 232 232 ALA N N 238 119.911 123.291 -3.380 1 1 2606 . 25 1 1 A 233 233 GLU H H 239 9.015 8.974 0.041 1 1 2607 . 25 1 1 A 233 233 GLU HA H 239 4.631 5.164 -0.533 1 1 2612 . 25 1 1 A 233 233 GLU C C 239 174.122 175.001 -0.879 1 1 2613 . 25 1 1 A 233 233 GLU CA C 239 54.786 54.530 0.256 1 1 2614 . 25 1 1 A 233 233 GLU CB C 239 31.355 33.218 -1.863 1 1 2616 . 25 1 1 A 233 233 GLU N N 239 122.744 122.057 0.687 1 1 2617 . 25 1 1 A 234 234 VAL H H 240 8.792 8.916 -0.124 1 1 2618 . 25 1 1 A 234 234 VAL HA H 240 4.394 4.949 -0.555 1 1 2623 . 25 1 1 A 234 234 VAL C C 240 174.833 174.576 0.257 1 1 2624 . 25 1 1 A 234 234 VAL CA C 240 61.427 59.546 1.881 1 1 2625 . 25 1 1 A 234 234 VAL CB C 240 33.863 34.830 -0.967 1 1 2627 . 25 1 1 A 234 234 VAL N N 240 124.203 121.415 2.788 1 1 2628 . 25 1 1 A 235 235 LYS H H 241 8.841 8.698 0.143 1 1 2629 . 25 1 1 A 235 235 LYS HA H 241 3.981 4.943 -0.962 1 1 2638 . 25 1 1 A 235 235 LYS C C 241 174.548 174.913 -0.365 1 1 2639 . 25 1 1 A 235 235 LYS CA C 241 55.955 55.312 0.643 1 1 2640 . 25 1 1 A 235 235 LYS CB C 241 32.100 33.734 -1.634 1 1 2644 . 25 1 1 A 235 235 LYS N N 241 127.554 126.439 1.115 1 1 2645 . 25 1 1 A 236 236 THR H H 242 7.212 8.903 -1.691 1 1 2646 . 25 1 1 A 236 236 THR HA H 242 4.355 4.825 -0.470 1 1 2651 . 25 1 1 A 236 236 THR C C 242 176.482 174.734 1.748 1 1 2652 . 25 1 1 A 236 236 THR CA C 242 61.054 59.353 1.701 1 1 2653 . 25 1 1 A 236 236 THR CB C 242 72.642 71.319 1.323 1 1 2655 . 25 1 1 A 236 236 THR N N 242 114.463 118.739 -4.276 1 1 2656 . 25 1 1 A 237 237 VAL H H 243 9.582 8.984 0.598 1 1 2657 . 25 1 1 A 237 237 VAL HA H 243 3.849 3.690 0.159 1 1 2665 . 25 1 1 A 237 237 VAL C C 243 176.201 177.637 -1.436 1 1 2666 . 25 1 1 A 237 237 VAL CA C 243 64.701 66.813 -2.112 1 1 2667 . 25 1 1 A 237 237 VAL CB C 243 31.028 31.723 -0.695 1 1 2669 . 25 1 1 A 237 237 VAL N N 243 120.670 125.804 -5.134 1 1 2670 . 25 1 1 A 238 238 ASN H H 244 7.572 7.518 0.054 1 1 2671 . 25 1 1 A 238 238 ASN HA H 244 4.882 4.780 0.102 1 1 2676 . 25 1 1 A 238 238 ASN C C 244 173.835 175.513 -1.678 1 1 2677 . 25 1 1 A 238 238 ASN CA C 244 52.022 53.208 -1.186 1 1 2678 . 25 1 1 A 238 238 ASN CB C 244 39.176 38.702 0.474 1 1 2679 . 25 1 1 A 238 238 ASN N N 244 115.638 116.806 -1.168 1 1 2681 . 25 1 1 A 239 239 GLY H H 245 7.362 7.974 -0.612 1 1 2682 . 25 1 1 A 239 239 GLY HA2 H 245 4.539 4.097 0.442 1 1 2683 . 25 1 1 A 239 239 GLY HA3 H 245 3.728 4.104 -0.376 1 1 2684 . 25 1 1 A 239 239 GLY C C 245 174.343 173.257 1.086 1 1 2685 . 25 1 1 A 239 239 GLY CA C 245 43.316 45.020 -1.704 1 1 2686 . 25 1 1 A 239 239 GLY N N 245 107.650 106.475 1.175 1 1 2687 . 25 1 1 A 240 240 ILE H H 246 8.672 8.313 0.359 1 1 2688 . 25 1 1 A 240 240 ILE HA H 246 4.351 4.853 -0.502 1 1 2698 . 25 1 1 A 240 240 ILE C C 246 176.899 174.323 2.576 1 1 2699 . 25 1 1 A 240 240 ILE CA C 246 61.120 60.234 0.886 1 1 2700 . 25 1 1 A 240 240 ILE CB C 246 36.906 39.601 -2.695 1 1 2704 . 25 1 1 A 240 240 ILE N N 246 122.673 122.600 0.073 1 1 2705 . 25 1 1 A 241 241 ARG H H 247 9.233 9.071 0.162 1 1 2706 . 25 1 1 A 241 241 ARG HA H 247 4.370 5.017 -0.647 1 1 2713 . 25 1 1 A 241 241 ARG C C 247 173.925 175.182 -1.257 1 1 2714 . 25 1 1 A 241 241 ARG CA C 247 53.461 55.044 -1.583 1 1 2715 . 25 1 1 A 241 241 ARG CB C 247 31.910 32.122 -0.212 1 1 2718 . 25 1 1 A 241 241 ARG N N 247 128.497 128.400 0.097 1 1 2719 . 25 1 1 A 242 242 HIS H H 248 8.519 9.168 -0.649 1 1 2720 . 25 1 1 A 242 242 HIS HA H 248 5.323 5.023 0.300 1 1 2725 . 25 1 1 A 242 242 HIS C C 248 174.635 175.406 -0.771 1 1 2726 . 25 1 1 A 242 242 HIS CA C 248 55.759 55.872 -0.113 1 1 2727 . 25 1 1 A 242 242 HIS CB C 248 32.921 31.349 1.572 1 1 2728 . 25 1 1 A 242 242 HIS N N 248 121.131 122.258 -1.127 1 1 2729 . 25 1 1 A 243 243 ILE H H 249 8.723 8.922 -0.199 1 1 2730 . 25 1 1 A 243 243 ILE HA H 249 4.522 4.713 -0.191 1 1 2740 . 25 1 1 A 243 243 ILE C C 249 176.188 175.596 0.592 1 1 2741 . 25 1 1 A 243 243 ILE CA C 249 58.524 59.755 -1.231 1 1 2742 . 25 1 1 A 243 243 ILE CB C 249 41.977 42.594 -0.617 1 1 2746 . 25 1 1 A 243 243 ILE N N 249 119.438 123.783 -4.345 1 1 2747 . 25 1 1 A 244 244 GLY H H 250 9.351 8.400 0.951 1 1 2748 . 25 1 1 A 244 244 GLY HA2 H 250 3.707 3.225 0.482 1 1 2749 . 25 1 1 A 244 244 GLY HA3 H 250 2.119 3.932 -1.813 1 1 2750 . 25 1 1 A 244 244 GLY C C 250 170.981 172.098 -1.117 1 1 2751 . 25 1 1 A 244 244 GLY CA C 250 44.178 44.283 -0.105 1 1 2752 . 25 1 1 A 244 244 GLY N N 250 113.700 113.717 -0.017 1 1 2753 . 25 1 1 A 245 245 LEU H H 251 7.833 8.528 -0.695 1 1 2754 . 25 1 1 A 245 245 LEU HA H 251 4.717 4.914 -0.197 1 1 2764 . 25 1 1 A 245 245 LEU C C 251 174.501 175.985 -1.484 1 1 2765 . 25 1 1 A 245 245 LEU CA C 251 52.508 53.637 -1.129 1 1 2766 . 25 1 1 A 245 245 LEU CB C 251 46.764 43.000 3.764 1 1 2770 . 25 1 1 A 245 245 LEU N N 251 120.798 124.225 -3.427 1 1 2771 . 25 1 1 A 246 246 ALA H H 252 7.906 8.756 -0.850 1 1 2772 . 25 1 1 A 246 246 ALA HA H 252 4.589 4.819 -0.230 1 1 2776 . 25 1 1 A 246 246 ALA C C 252 173.363 175.862 -2.499 1 1 2777 . 25 1 1 A 246 246 ALA CA C 252 51.546 51.535 0.011 1 1 2778 . 25 1 1 A 246 246 ALA CB C 252 21.524 19.925 1.599 1 1 2779 . 25 1 1 A 246 246 ALA N N 252 122.885 125.297 -2.412 1 1 2780 . 25 1 1 A 247 247 ALA H H 253 9.041 8.947 0.094 1 1 2781 . 25 1 1 A 247 247 ALA HA H 253 4.726 5.505 -0.779 1 1 2785 . 25 1 1 A 247 247 ALA C C 253 174.897 175.829 -0.932 1 1 2786 . 25 1 1 A 247 247 ALA CA C 253 51.723 50.134 1.589 1 1 2787 . 25 1 1 A 247 247 ALA CB C 253 22.967 21.349 1.618 1 1 2788 . 25 1 1 A 247 247 ALA N N 253 122.967 126.199 -3.232 1 1 2789 . 25 1 1 A 248 248 LYS H H 254 8.171 8.605 -0.434 1 1 2790 . 25 1 1 A 248 248 LYS HA H 254 5.731 5.047 0.684 1 1 2797 . 25 1 1 A 248 248 LYS C C 254 175.094 174.877 0.217 1 1 2798 . 25 1 1 A 248 248 LYS CA C 254 53.866 54.361 -0.495 1 1 2799 . 25 1 1 A 248 248 LYS CB C 254 36.312 36.088 0.224 1 1 2802 . 25 1 1 A 248 248 LYS N N 254 115.734 123.384 -7.650 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 225 1.386 1 2 1 1 1 "RMS(OBS, PRED)" CA 239 1.391 1 3 1 1 1 "RMS(OBS, PRED)" CB 211 1.888 1 4 1 1 1 "RMS(OBS, PRED)" H 233 0.694 1 5 1 1 1 "RMS(OBS, PRED)" HA 265 0.451 1 6 1 1 1 "RMS(OBS, PRED)" N 233 3.727 1 7 1 2 1 "RMS(OBS, PRED)" C 225 1.408 1 8 1 2 1 "RMS(OBS, PRED)" CA 239 1.498 1 9 1 2 1 "RMS(OBS, PRED)" CB 211 1.998 1 10 1 2 1 "RMS(OBS, PRED)" H 233 0.752 1 11 1 2 1 "RMS(OBS, PRED)" HA 265 0.482 1 12 1 2 1 "RMS(OBS, PRED)" N 233 4.006 1 13 1 3 1 "RMS(OBS, PRED)" C 225 1.396 1 14 1 3 1 "RMS(OBS, PRED)" CA 239 1.495 1 15 1 3 1 "RMS(OBS, PRED)" CB 211 1.846 1 16 1 3 1 "RMS(OBS, PRED)" H 233 0.718 1 17 1 3 1 "RMS(OBS, PRED)" HA 265 0.463 1 18 1 3 1 "RMS(OBS, PRED)" N 233 3.874 1 19 1 4 1 "RMS(OBS, PRED)" C 225 1.393 1 20 1 4 1 "RMS(OBS, PRED)" CA 239 1.495 1 21 1 4 1 "RMS(OBS, PRED)" CB 211 2.006 1 22 1 4 1 "RMS(OBS, PRED)" H 233 0.744 1 23 1 4 1 "RMS(OBS, PRED)" HA 265 0.508 1 24 1 4 1 "RMS(OBS, PRED)" N 233 4.014 1 25 1 5 1 "RMS(OBS, PRED)" C 225 1.394 1 26 1 5 1 "RMS(OBS, PRED)" CA 239 1.504 1 27 1 5 1 "RMS(OBS, PRED)" CB 211 1.990 1 28 1 5 1 "RMS(OBS, PRED)" H 233 0.725 1 29 1 5 1 "RMS(OBS, PRED)" HA 265 0.472 1 30 1 5 1 "RMS(OBS, PRED)" N 233 4.081 1 31 1 6 1 "RMS(OBS, PRED)" C 225 1.395 1 32 1 6 1 "RMS(OBS, PRED)" CA 239 1.409 1 33 1 6 1 "RMS(OBS, PRED)" CB 211 1.885 1 34 1 6 1 "RMS(OBS, PRED)" H 233 0.756 1 35 1 6 1 "RMS(OBS, PRED)" HA 265 0.480 1 36 1 6 1 "RMS(OBS, PRED)" N 233 3.950 1 37 1 7 1 "RMS(OBS, PRED)" C 225 1.500 1 38 1 7 1 "RMS(OBS, PRED)" CA 239 1.480 1 39 1 7 1 "RMS(OBS, PRED)" CB 211 1.989 1 40 1 7 1 "RMS(OBS, PRED)" H 233 0.724 1 41 1 7 1 "RMS(OBS, PRED)" HA 265 0.460 1 42 1 7 1 "RMS(OBS, PRED)" N 233 4.014 1 43 1 8 1 "RMS(OBS, PRED)" C 225 1.379 1 44 1 8 1 "RMS(OBS, PRED)" CA 239 1.381 1 45 1 8 1 "RMS(OBS, PRED)" CB 211 1.918 1 46 1 8 1 "RMS(OBS, PRED)" H 233 0.678 1 47 1 8 1 "RMS(OBS, PRED)" HA 265 0.485 1 48 1 8 1 "RMS(OBS, PRED)" N 233 3.969 1 49 1 9 1 "RMS(OBS, PRED)" C 225 1.337 1 50 1 9 1 "RMS(OBS, PRED)" CA 239 1.513 1 51 1 9 1 "RMS(OBS, PRED)" CB 211 1.804 1 52 1 9 1 "RMS(OBS, PRED)" H 233 0.704 1 53 1 9 1 "RMS(OBS, PRED)" HA 265 0.465 1 54 1 9 1 "RMS(OBS, PRED)" N 233 3.981 1 55 1 10 1 "RMS(OBS, PRED)" C 225 1.364 1 56 1 10 1 "RMS(OBS, PRED)" CA 239 1.523 1 57 1 10 1 "RMS(OBS, PRED)" CB 211 1.990 1 58 1 10 1 "RMS(OBS, PRED)" H 233 0.741 1 59 1 10 1 "RMS(OBS, PRED)" HA 265 0.496 1 60 1 10 1 "RMS(OBS, PRED)" N 233 3.968 1 61 1 11 1 "RMS(OBS, PRED)" C 225 1.418 1 62 1 11 1 "RMS(OBS, PRED)" CA 239 1.476 1 63 1 11 1 "RMS(OBS, PRED)" CB 211 1.973 1 64 1 11 1 "RMS(OBS, PRED)" H 233 0.735 1 65 1 11 1 "RMS(OBS, PRED)" HA 265 0.493 1 66 1 11 1 "RMS(OBS, PRED)" N 233 4.029 1 67 1 12 1 "RMS(OBS, PRED)" C 225 1.336 1 68 1 12 1 "RMS(OBS, PRED)" CA 239 1.537 1 69 1 12 1 "RMS(OBS, PRED)" CB 211 2.086 1 70 1 12 1 "RMS(OBS, PRED)" H 233 0.727 1 71 1 12 1 "RMS(OBS, PRED)" HA 265 0.510 1 72 1 12 1 "RMS(OBS, PRED)" N 233 3.961 1 73 1 13 1 "RMS(OBS, PRED)" C 225 1.439 1 74 1 13 1 "RMS(OBS, PRED)" CA 239 1.568 1 75 1 13 1 "RMS(OBS, PRED)" CB 211 2.030 1 76 1 13 1 "RMS(OBS, PRED)" H 233 0.742 1 77 1 13 1 "RMS(OBS, PRED)" HA 265 0.496 1 78 1 13 1 "RMS(OBS, PRED)" N 233 4.261 1 79 1 14 1 "RMS(OBS, PRED)" C 225 1.350 1 80 1 14 1 "RMS(OBS, PRED)" CA 239 1.425 1 81 1 14 1 "RMS(OBS, PRED)" CB 211 1.972 1 82 1 14 1 "RMS(OBS, PRED)" H 233 0.704 1 83 1 14 1 "RMS(OBS, PRED)" HA 265 0.483 1 84 1 14 1 "RMS(OBS, PRED)" N 233 4.025 1 85 1 15 1 "RMS(OBS, PRED)" C 225 1.374 1 86 1 15 1 "RMS(OBS, PRED)" CA 239 1.475 1 87 1 15 1 "RMS(OBS, PRED)" CB 211 2.050 1 88 1 15 1 "RMS(OBS, PRED)" H 233 0.737 1 89 1 15 1 "RMS(OBS, PRED)" HA 265 0.494 1 90 1 15 1 "RMS(OBS, PRED)" N 233 3.968 1 91 1 16 1 "RMS(OBS, PRED)" C 225 1.394 1 92 1 16 1 "RMS(OBS, PRED)" CA 239 1.493 1 93 1 16 1 "RMS(OBS, PRED)" CB 211 1.992 1 94 1 16 1 "RMS(OBS, PRED)" H 233 0.710 1 95 1 16 1 "RMS(OBS, PRED)" HA 265 0.503 1 96 1 16 1 "RMS(OBS, PRED)" N 233 4.173 1 97 1 17 1 "RMS(OBS, PRED)" C 225 1.430 1 98 1 17 1 "RMS(OBS, PRED)" CA 239 1.457 1 99 1 17 1 "RMS(OBS, PRED)" CB 211 1.930 1 100 1 17 1 "RMS(OBS, PRED)" H 233 0.725 1 101 1 17 1 "RMS(OBS, PRED)" HA 265 0.480 1 102 1 17 1 "RMS(OBS, PRED)" N 233 4.145 1 103 1 18 1 "RMS(OBS, PRED)" C 225 1.368 1 104 1 18 1 "RMS(OBS, PRED)" CA 239 1.494 1 105 1 18 1 "RMS(OBS, PRED)" CB 211 1.937 1 106 1 18 1 "RMS(OBS, PRED)" H 233 0.734 1 107 1 18 1 "RMS(OBS, PRED)" HA 265 0.478 1 108 1 18 1 "RMS(OBS, PRED)" N 233 4.116 1 109 1 19 1 "RMS(OBS, PRED)" C 225 1.405 1 110 1 19 1 "RMS(OBS, PRED)" CA 239 1.514 1 111 1 19 1 "RMS(OBS, PRED)" CB 211 1.927 1 112 1 19 1 "RMS(OBS, PRED)" H 233 0.740 1 113 1 19 1 "RMS(OBS, PRED)" HA 265 0.487 1 114 1 19 1 "RMS(OBS, PRED)" N 233 4.095 1 115 1 20 1 "RMS(OBS, PRED)" C 225 1.348 1 116 1 20 1 "RMS(OBS, PRED)" CA 239 1.475 1 117 1 20 1 "RMS(OBS, PRED)" CB 211 2.000 1 118 1 20 1 "RMS(OBS, PRED)" H 233 0.696 1 119 1 20 1 "RMS(OBS, PRED)" HA 265 0.480 1 120 1 20 1 "RMS(OBS, PRED)" N 233 3.870 1 121 1 21 1 "RMS(OBS, PRED)" C 225 1.467 1 122 1 21 1 "RMS(OBS, PRED)" CA 239 1.458 1 123 1 21 1 "RMS(OBS, PRED)" CB 211 1.885 1 124 1 21 1 "RMS(OBS, PRED)" H 233 0.716 1 125 1 21 1 "RMS(OBS, PRED)" HA 265 0.465 1 126 1 21 1 "RMS(OBS, PRED)" N 233 4.154 1 127 1 22 1 "RMS(OBS, PRED)" C 225 1.394 1 128 1 22 1 "RMS(OBS, PRED)" CA 239 1.446 1 129 1 22 1 "RMS(OBS, PRED)" CB 211 1.923 1 130 1 22 1 "RMS(OBS, PRED)" H 233 0.728 1 131 1 22 1 "RMS(OBS, PRED)" HA 265 0.486 1 132 1 22 1 "RMS(OBS, PRED)" N 233 4.111 1 133 1 23 1 "RMS(OBS, PRED)" C 225 1.375 1 134 1 23 1 "RMS(OBS, PRED)" CA 239 1.433 1 135 1 23 1 "RMS(OBS, PRED)" CB 211 1.978 1 136 1 23 1 "RMS(OBS, PRED)" H 233 0.726 1 137 1 23 1 "RMS(OBS, PRED)" HA 265 0.486 1 138 1 23 1 "RMS(OBS, PRED)" N 233 3.938 1 139 1 24 1 "RMS(OBS, PRED)" C 225 1.342 1 140 1 24 1 "RMS(OBS, PRED)" CA 239 1.506 1 141 1 24 1 "RMS(OBS, PRED)" CB 211 1.838 1 142 1 24 1 "RMS(OBS, PRED)" H 233 0.740 1 143 1 24 1 "RMS(OBS, PRED)" HA 265 0.454 1 144 1 24 1 "RMS(OBS, PRED)" N 233 3.623 1 145 1 25 1 "RMS(OBS, PRED)" C 225 1.399 1 146 1 25 1 "RMS(OBS, PRED)" CA 239 1.573 1 147 1 25 1 "RMS(OBS, PRED)" CB 211 2.143 1 148 1 25 1 "RMS(OBS, PRED)" H 233 0.717 1 149 1 25 1 "RMS(OBS, PRED)" HA 265 0.481 1 150 1 25 1 "RMS(OBS, PRED)" N 233 3.839 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 60 . 1 1 A 9 9 GLY H H 15 8.346 8.661 -0.315 2 1 61 . 1 1 A 9 9 GLY HA2 H 15 4.021 3.886 0.135 2 1 62 . 1 1 A 9 9 GLY HA3 H 15 3.772 3.889 -0.117 2 1 63 . 1 1 A 9 9 GLY C C 15 174.259 175.420 -1.161 2 1 64 . 1 1 A 9 9 GLY CA C 15 45.581 46.399 -0.818 2 1 65 . 1 1 A 9 9 GLY N N 15 107.368 109.838 -2.470 2 1 66 . 1 1 A 10 10 LEU H H 16 7.224 7.862 -0.638 2 1 67 . 1 1 A 10 10 LEU HA H 16 3.736 4.079 -0.343 2 1 77 . 1 1 A 10 10 LEU C C 16 178.202 179.008 -0.806 2 1 78 . 1 1 A 10 10 LEU CA C 16 57.915 57.550 0.365 2 1 79 . 1 1 A 10 10 LEU CB C 16 40.686 41.337 -0.651 2 1 83 . 1 1 A 10 10 LEU N N 16 117.616 121.730 -4.114 2 1 84 . 1 1 A 11 11 ALA H H 17 7.860 8.066 -0.206 2 1 85 . 1 1 A 11 11 ALA HA H 17 3.937 4.043 -0.106 2 1 89 . 1 1 A 11 11 ALA C C 17 181.090 179.049 2.041 2 1 90 . 1 1 A 11 11 ALA CA C 17 54.860 55.428 -0.568 2 1 91 . 1 1 A 11 11 ALA CB C 17 17.248 18.030 -0.782 2 1 92 . 1 1 A 11 11 ALA N N 17 117.757 122.149 -4.392 2 1 93 . 1 1 A 12 12 ASP H H 18 8.017 8.250 -0.233 2 1 94 . 1 1 A 12 12 ASP HA H 18 4.223 4.383 -0.160 2 1 97 . 1 1 A 12 12 ASP C C 18 177.941 178.126 -0.185 2 1 98 . 1 1 A 12 12 ASP CA C 18 56.341 57.042 -0.701 2 1 99 . 1 1 A 12 12 ASP CB C 18 39.312 41.273 -1.961 2 1 100 . 1 1 A 12 12 ASP N N 18 118.410 118.568 -0.158 2 1 101 . 1 1 A 13 13 ALA H H 19 8.205 7.806 0.399 2 1 102 . 1 1 A 13 13 ALA HA H 19 3.952 4.222 -0.270 2 1 106 . 1 1 A 13 13 ALA C C 19 178.856 178.502 0.354 2 1 107 . 1 1 A 13 13 ALA CA C 19 55.039 54.139 0.900 2 1 108 . 1 1 A 13 13 ALA CB C 19 17.779 18.559 -0.780 2 1 109 . 1 1 A 13 13 ALA N N 19 121.480 121.298 0.182 2 1 110 . 1 1 A 14 14 LEU H H 20 7.217 7.533 -0.316 2 1 111 . 1 1 A 14 14 LEU HA H 20 4.258 4.278 -0.020 2 1 121 . 1 1 A 14 14 LEU C C 20 177.544 178.534 -0.990 2 1 122 . 1 1 A 14 14 LEU CA C 20 55.511 56.170 -0.659 2 1 123 . 1 1 A 14 14 LEU CB C 20 42.176 42.428 -0.252 2 1 126 . 1 1 A 14 14 LEU N N 20 113.410 116.767 -3.357 2 1 127 . 1 1 A 15 15 THR H H 21 7.624 7.576 0.048 2 1 128 . 1 1 A 15 15 THR HA H 21 4.394 4.329 0.065 2 1 133 . 1 1 A 15 15 THR C C 21 174.959 174.759 0.200 2 1 134 . 1 1 A 15 15 THR CA C 21 61.733 63.164 -1.431 2 1 135 . 1 1 A 15 15 THR CB C 21 71.514 69.288 2.226 2 1 137 . 1 1 A 15 15 THR N N 21 106.072 108.335 -2.263 2 1 138 . 1 1 A 16 16 ALA H H 22 8.932 7.804 1.128 2 1 139 . 1 1 A 16 16 ALA HA H 22 4.624 4.652 -0.028 2 1 143 . 1 1 A 16 16 ALA C C 22 175.978 175.548 0.430 2 1 144 . 1 1 A 16 16 ALA CA C 22 50.681 50.482 0.199 2 1 145 . 1 1 A 16 16 ALA CB C 22 18.728 21.005 -2.277 2 1 146 . 1 1 A 16 16 ALA N N 22 127.789 122.392 5.397 2 1 147 . 1 1 A 17 17 PRO HA H 23 4.430 4.626 -0.196 2 1 154 . 1 1 A 17 17 PRO CA C 23 61.497 62.695 -1.198 2 1 155 . 1 1 A 17 17 PRO CB C 23 31.775 32.963 -1.188 2 1 158 . 1 1 A 18 18 LEU H H 24 8.154 8.518 -0.364 2 1 159 . 1 1 A 18 18 LEU HA H 24 3.894 4.536 -0.642 2 1 169 . 1 1 A 18 18 LEU C C 24 176.447 176.110 0.337 2 1 170 . 1 1 A 18 18 LEU CA C 24 55.510 55.151 0.359 2 1 171 . 1 1 A 18 18 LEU CB C 24 40.921 43.416 -2.495 2 1 175 . 1 1 A 18 18 LEU N N 24 121.010 120.221 0.789 2 1 176 . 1 1 A 19 19 ASP H H 25 8.758 8.191 0.567 2 1 177 . 1 1 A 19 19 ASP HA H 25 4.626 4.775 -0.149 2 1 180 . 1 1 A 19 19 ASP C C 25 176.425 175.643 0.782 2 1 181 . 1 1 A 19 19 ASP CA C 25 52.688 54.182 -1.494 2 1 182 . 1 1 A 19 19 ASP CB C 25 42.819 42.422 0.397 2 1 183 . 1 1 A 19 19 ASP N N 25 124.654 118.286 6.368 2 1 184 . 1 1 A 20 20 HIS HA H 26 4.272 4.580 -0.308 2 1 189 . 1 1 A 20 20 HIS CA C 26 58.100 57.188 0.912 2 1 190 . 1 1 A 20 20 HIS CB C 26 29.200 30.519 -1.319 2 1 191 . 1 1 A 21 21 LYS H H 27 8.348 8.024 0.324 2 1 192 . 1 1 A 21 21 LYS HA H 27 3.970 4.197 -0.227 2 1 201 . 1 1 A 21 21 LYS C C 27 177.393 176.434 0.959 2 1 202 . 1 1 A 21 21 LYS CA C 27 56.320 57.078 -0.758 2 1 203 . 1 1 A 21 21 LYS CB C 27 30.950 33.266 -2.316 2 1 206 . 1 1 A 21 21 LYS N N 27 118.419 117.784 0.635 2 1 207 . 1 1 A 22 22 ASP H H 28 7.451 8.173 -0.722 2 1 208 . 1 1 A 22 22 ASP HA H 28 4.307 4.539 -0.232 2 1 211 . 1 1 A 22 22 ASP C C 28 176.212 176.241 -0.029 2 1 212 . 1 1 A 22 22 ASP CA C 28 54.164 55.609 -1.445 2 1 213 . 1 1 A 22 22 ASP CB C 28 40.091 40.837 -0.746 2 1 214 . 1 1 A 22 22 ASP N N 28 120.045 119.293 0.752 2 1 215 . 1 1 A 23 23 LYS H H 29 8.416 8.381 0.035 2 1 216 . 1 1 A 23 23 LYS HA H 29 3.962 4.409 -0.447 2 1 225 . 1 1 A 23 23 LYS C C 29 177.409 176.194 1.215 2 1 226 . 1 1 A 23 23 LYS CA C 29 56.254 56.527 -0.273 2 1 227 . 1 1 A 23 23 LYS CB C 29 31.950 33.293 -1.343 2 1 231 . 1 1 A 23 23 LYS N N 29 121.925 119.828 2.097 2 1 232 . 1 1 A 24 24 GLY H H 30 8.612 7.768 0.844 2 1 233 . 1 1 A 24 24 GLY HA2 H 30 3.655 4.077 -0.422 2 1 234 . 1 1 A 24 24 GLY HA3 H 30 3.519 4.110 -0.591 2 1 235 . 1 1 A 24 24 GLY CA C 30 44.788 45.402 -0.614 2 1 236 . 1 1 A 24 24 GLY N N 30 111.487 107.891 3.596 2 1 237 . 1 1 A 25 25 LEU H H 31 8.054 8.319 -0.265 2 1 238 . 1 1 A 25 25 LEU HA H 31 3.770 4.447 -0.677 2 1 248 . 1 1 A 25 25 LEU CA C 31 55.906 55.232 0.674 2 1 249 . 1 1 A 25 25 LEU CB C 31 44.428 42.820 1.608 2 1 253 . 1 1 A 25 25 LEU N N 31 127.196 122.606 4.590 2 1 254 . 1 1 A 26 26 GLN H H 32 9.184 8.822 0.362 2 1 255 . 1 1 A 26 26 GLN HA H 32 3.437 4.633 -1.196 2 1 262 . 1 1 A 26 26 GLN C C 32 174.347 175.062 -0.715 2 1 263 . 1 1 A 26 26 GLN CA C 32 57.926 55.757 2.169 2 1 264 . 1 1 A 26 26 GLN CB C 32 27.721 30.244 -2.523 2 1 266 . 1 1 A 26 26 GLN N N 32 131.782 124.035 7.747 2 1 268 . 1 1 A 27 27 SER H H 33 7.240 7.721 -0.481 2 1 269 . 1 1 A 27 27 SER HA H 33 4.981 5.024 -0.043 2 1 272 . 1 1 A 27 27 SER C C 33 171.111 172.344 -1.233 2 1 273 . 1 1 A 27 27 SER CA C 33 56.782 57.304 -0.522 2 1 274 . 1 1 A 27 27 SER CB C 33 64.611 65.863 -1.252 2 1 275 . 1 1 A 27 27 SER N N 33 108.936 113.023 -4.087 2 1 276 . 1 1 A 28 28 LEU H H 34 8.010 8.748 -0.738 2 1 277 . 1 1 A 28 28 LEU HA H 34 4.372 4.998 -0.626 2 1 287 . 1 1 A 28 28 LEU C C 34 174.697 175.164 -0.467 2 1 288 . 1 1 A 28 28 LEU CA C 34 53.332 53.653 -0.321 2 1 289 . 1 1 A 28 28 LEU CB C 34 45.636 44.882 0.754 2 1 293 . 1 1 A 28 28 LEU N N 34 121.826 122.714 -0.888 2 1 294 . 1 1 A 29 29 THR H H 35 8.810 8.865 -0.055 2 1 295 . 1 1 A 29 29 THR HA H 35 4.046 4.667 -0.621 2 1 300 . 1 1 A 29 29 THR C C 35 172.792 174.144 -1.352 2 1 301 . 1 1 A 29 29 THR CA C 35 62.565 62.273 0.292 2 1 302 . 1 1 A 29 29 THR CB C 35 68.233 69.922 -1.689 2 1 304 . 1 1 A 29 29 THR N N 35 123.892 120.955 2.937 2 1 305 . 1 1 A 30 30 LEU H H 36 8.662 8.700 -0.038 2 1 306 . 1 1 A 30 30 LEU HA H 36 4.150 4.720 -0.570 2 1 316 . 1 1 A 30 30 LEU C C 36 174.707 176.425 -1.718 2 1 317 . 1 1 A 30 30 LEU CA C 36 53.789 54.213 -0.424 2 1 318 . 1 1 A 30 30 LEU CB C 36 40.562 41.453 -0.891 2 1 322 . 1 1 A 30 30 LEU N N 36 128.365 126.905 1.460 2 1 323 . 1 1 A 31 31 ASP H H 37 8.500 8.588 -0.088 2 1 324 . 1 1 A 31 31 ASP HA H 37 4.837 4.662 0.175 2 1 327 . 1 1 A 31 31 ASP CA C 37 54.657 55.755 -1.098 2 1 328 . 1 1 A 31 31 ASP CB C 37 43.089 41.745 1.344 2 1 329 . 1 1 A 31 31 ASP N N 37 123.194 123.519 -0.325 2 1 330 . 1 1 A 32 32 GLN H H 38 10.453 8.096 2.357 2 1 331 . 1 1 A 32 32 GLN HA H 38 3.808 4.431 -0.623 2 1 338 . 1 1 A 32 32 GLN C C 38 178.535 177.302 1.233 2 1 339 . 1 1 A 32 32 GLN CA C 38 56.284 56.506 -0.222 2 1 340 . 1 1 A 32 32 GLN CB C 38 28.175 29.640 -1.465 2 1 342 . 1 1 A 32 32 GLN N N 38 120.692 117.743 2.949 2 1 344 . 1 1 A 33 33 SER H H 39 8.523 8.123 0.400 2 1 345 . 1 1 A 33 33 SER HA H 39 4.081 4.351 -0.270 2 1 348 . 1 1 A 33 33 SER C C 39 171.792 174.018 -2.226 2 1 349 . 1 1 A 33 33 SER CA C 39 61.436 60.887 0.549 2 1 350 . 1 1 A 33 33 SER CB C 39 63.008 63.851 -0.843 2 1 351 . 1 1 A 33 33 SER N N 39 111.712 114.588 -2.876 2 1 352 . 1 1 A 34 34 VAL H H 40 6.691 7.701 -1.010 2 1 353 . 1 1 A 34 34 VAL HA H 40 3.890 4.673 -0.783 2 1 361 . 1 1 A 34 34 VAL C C 40 172.251 174.222 -1.971 2 1 362 . 1 1 A 34 34 VAL CA C 40 60.415 59.722 0.693 2 1 363 . 1 1 A 34 34 VAL CB C 40 32.306 35.557 -3.251 2 1 366 . 1 1 A 34 34 VAL N N 40 115.971 118.478 -2.507 2 1 367 . 1 1 A 35 35 ARG H H 41 8.184 8.631 -0.447 2 1 368 . 1 1 A 35 35 ARG HA H 41 4.176 4.453 -0.277 2 1 375 . 1 1 A 35 35 ARG C C 41 176.886 177.666 -0.780 2 1 376 . 1 1 A 35 35 ARG CA C 41 55.599 55.631 -0.032 2 1 377 . 1 1 A 35 35 ARG CB C 41 30.569 31.474 -0.905 2 1 380 . 1 1 A 35 35 ARG N N 41 125.397 125.196 0.201 2 1 381 . 1 1 A 36 36 LYS H H 42 8.493 8.732 -0.239 2 1 382 . 1 1 A 36 36 LYS HA H 42 3.778 4.165 -0.387 2 1 391 . 1 1 A 36 36 LYS C C 42 176.596 177.136 -0.540 2 1 392 . 1 1 A 36 36 LYS CA C 42 58.687 58.372 0.315 2 1 393 . 1 1 A 36 36 LYS CB C 42 31.959 32.115 -0.156 2 1 397 . 1 1 A 36 36 LYS N N 42 119.360 121.925 -2.565 2 1 398 . 1 1 A 37 37 ASN H H 43 8.513 7.967 0.546 2 1 399 . 1 1 A 37 37 ASN HA H 43 4.438 4.837 -0.399 2 1 404 . 1 1 A 37 37 ASN C C 43 173.867 174.969 -1.102 2 1 405 . 1 1 A 37 37 ASN CA C 43 55.127 53.611 1.516 2 1 406 . 1 1 A 37 37 ASN CB C 43 37.071 39.969 -2.898 2 1 407 . 1 1 A 37 37 ASN N N 43 115.488 115.201 0.287 2 1 409 . 1 1 A 38 38 GLU H H 44 7.793 7.751 0.042 2 1 410 . 1 1 A 38 38 GLU HA H 44 4.772 4.738 0.034 2 1 413 . 1 1 A 38 38 GLU C C 44 175.262 175.124 0.138 2 1 414 . 1 1 A 38 38 GLU CA C 44 54.808 55.275 -0.467 2 1 415 . 1 1 A 38 38 GLU CB C 44 32.321 31.545 0.776 2 1 416 . 1 1 A 38 38 GLU N N 44 118.734 118.965 -0.231 2 1 417 . 1 1 A 39 39 LYS H H 45 8.706 8.642 0.064 2 1 418 . 1 1 A 39 39 LYS HA H 45 4.606 5.005 -0.399 2 1 427 . 1 1 A 39 39 LYS C C 45 174.312 175.196 -0.884 2 1 428 . 1 1 A 39 39 LYS CA C 45 52.782 55.045 -2.263 2 1 429 . 1 1 A 39 39 LYS CB C 45 35.174 34.838 0.336 2 1 433 . 1 1 A 39 39 LYS N N 45 117.132 124.011 -6.879 2 1 434 . 1 1 A 40 40 LEU H H 46 9.085 8.894 0.191 2 1 435 . 1 1 A 40 40 LEU HA H 46 5.044 5.123 -0.079 2 1 442 . 1 1 A 40 40 LEU C C 46 173.778 174.637 -0.859 2 1 443 . 1 1 A 40 40 LEU CA C 46 52.590 53.242 -0.652 2 1 444 . 1 1 A 40 40 LEU CB C 46 44.855 45.457 -0.602 2 1 447 . 1 1 A 40 40 LEU N N 46 125.335 124.140 1.195 2 1 448 . 1 1 A 41 41 LYS H H 47 9.263 9.006 0.257 2 1 449 . 1 1 A 41 41 LYS HA H 47 5.049 5.058 -0.009 2 1 458 . 1 1 A 41 41 LYS C C 47 175.616 174.675 0.941 2 1 459 . 1 1 A 41 41 LYS CA C 47 53.864 54.722 -0.858 2 1 460 . 1 1 A 41 41 LYS CB C 47 32.986 35.159 -2.173 2 1 464 . 1 1 A 41 41 LYS N N 47 129.833 123.461 6.372 2 1 465 . 1 1 A 42 42 LEU H H 48 8.954 9.003 -0.049 2 1 466 . 1 1 A 42 42 LEU HA H 48 5.458 5.201 0.257 2 1 476 . 1 1 A 42 42 LEU C C 48 175.565 175.367 0.198 2 1 477 . 1 1 A 42 42 LEU CA C 48 51.964 53.573 -1.609 2 1 478 . 1 1 A 42 42 LEU CB C 48 44.393 44.712 -0.319 2 1 482 . 1 1 A 42 42 LEU N N 48 126.292 127.499 -1.207 2 1 483 . 1 1 A 43 43 ALA H H 49 8.804 8.675 0.129 2 1 484 . 1 1 A 43 43 ALA HA H 49 5.304 5.265 0.039 2 1 488 . 1 1 A 43 43 ALA C C 49 176.301 175.782 0.519 2 1 489 . 1 1 A 43 43 ALA CA C 49 51.004 51.474 -0.470 2 1 490 . 1 1 A 43 43 ALA CB C 49 23.453 23.211 0.242 2 1 491 . 1 1 A 43 43 ALA N N 49 120.789 125.049 -4.260 2 1 492 . 1 1 A 44 44 ALA H H 50 8.117 8.635 -0.518 2 1 493 . 1 1 A 44 44 ALA HA H 50 4.485 4.555 -0.070 2 1 497 . 1 1 A 44 44 ALA C C 50 176.254 176.560 -0.306 2 1 498 . 1 1 A 44 44 ALA CA C 50 53.021 51.758 1.263 2 1 499 . 1 1 A 44 44 ALA CB C 50 23.682 21.960 1.722 2 1 500 . 1 1 A 44 44 ALA N N 50 120.678 120.849 -0.171 2 1 501 . 1 1 A 45 45 GLN H H 51 9.035 9.329 -0.294 2 1 502 . 1 1 A 45 45 GLN HA H 51 3.774 3.935 -0.161 2 1 509 . 1 1 A 45 45 GLN C C 51 175.259 175.148 0.111 2 1 510 . 1 1 A 45 45 GLN CA C 51 56.074 56.781 -0.707 2 1 511 . 1 1 A 45 45 GLN CB C 51 27.339 27.490 -0.151 2 1 513 . 1 1 A 45 45 GLN N N 51 116.299 122.962 -6.663 2 1 515 . 1 1 A 46 46 GLY H H 52 8.441 8.541 -0.100 2 1 516 . 1 1 A 46 46 GLY HA2 H 52 4.066 3.810 0.256 2 1 517 . 1 1 A 46 46 GLY HA3 H 52 3.510 3.812 -0.302 2 1 518 . 1 1 A 46 46 GLY C C 52 173.050 173.750 -0.700 2 1 519 . 1 1 A 46 46 GLY CA C 52 44.998 45.312 -0.314 2 1 520 . 1 1 A 46 46 GLY N N 52 105.419 105.294 0.125 2 1 521 . 1 1 A 47 47 ALA H H 53 8.152 7.637 0.515 2 1 522 . 1 1 A 47 47 ALA HA H 53 4.767 4.769 -0.002 2 1 526 . 1 1 A 47 47 ALA C C 53 175.989 176.167 -0.178 2 1 527 . 1 1 A 47 47 ALA CA C 53 49.918 51.008 -1.090 2 1 528 . 1 1 A 47 47 ALA CB C 53 22.720 22.024 0.696 2 1 529 . 1 1 A 47 47 ALA N N 53 124.355 122.886 1.469 2 1 530 . 1 1 A 48 48 GLU H H 54 8.156 9.136 -0.980 2 1 531 . 1 1 A 48 48 GLU HA H 54 5.488 5.349 0.139 2 1 536 . 1 1 A 48 48 GLU C C 54 174.224 173.954 0.270 2 1 537 . 1 1 A 48 48 GLU CA C 54 54.346 54.810 -0.464 2 1 538 . 1 1 A 48 48 GLU CB C 54 34.305 33.761 0.544 2 1 540 . 1 1 A 48 48 GLU N N 54 116.655 116.422 0.233 2 1 541 . 1 1 A 49 49 LYS H H 55 8.852 8.961 -0.109 2 1 542 . 1 1 A 49 49 LYS HA H 55 4.190 4.955 -0.765 2 1 549 . 1 1 A 49 49 LYS C C 55 172.887 174.870 -1.983 2 1 550 . 1 1 A 49 49 LYS CA C 55 56.414 54.768 1.646 2 1 551 . 1 1 A 49 49 LYS CB C 55 34.723 35.916 -1.193 2 1 554 . 1 1 A 49 49 LYS N N 55 122.922 121.767 1.155 2 1 555 . 1 1 A 50 50 THR H H 56 7.910 8.635 -0.725 2 1 556 . 1 1 A 50 50 THR HA H 56 4.908 4.920 -0.012 2 1 561 . 1 1 A 50 50 THR C C 56 173.112 173.436 -0.324 2 1 562 . 1 1 A 50 50 THR CA C 56 61.998 61.422 0.576 2 1 563 . 1 1 A 50 50 THR CB C 56 68.596 70.012 -1.416 2 1 565 . 1 1 A 50 50 THR N N 56 120.811 118.806 2.005 2 1 566 . 1 1 A 51 51 TYR H H 57 9.432 9.128 0.304 2 1 567 . 1 1 A 51 51 TYR HA H 57 4.493 5.257 -0.764 2 1 574 . 1 1 A 51 51 TYR C C 57 174.156 174.914 -0.758 2 1 575 . 1 1 A 51 51 TYR CA C 57 57.375 55.897 1.478 2 1 576 . 1 1 A 51 51 TYR CB C 57 41.895 42.083 -0.188 2 1 577 . 1 1 A 51 51 TYR N N 57 127.372 123.311 4.061 2 1 578 . 1 1 A 52 52 GLY H H 58 9.154 8.545 0.609 2 1 579 . 1 1 A 52 52 GLY HA2 H 58 3.543 4.166 -0.623 2 1 580 . 1 1 A 52 52 GLY HA3 H 58 3.543 4.195 -0.652 2 1 581 . 1 1 A 52 52 GLY C C 58 172.527 173.549 -1.022 2 1 582 . 1 1 A 52 52 GLY CA C 58 42.304 45.744 -3.440 2 1 583 . 1 1 A 52 52 GLY N N 58 108.920 108.646 0.274 2 1 584 . 1 1 A 53 53 ASN H H 59 8.877 8.928 -0.051 2 1 585 . 1 1 A 53 53 ASN HA H 59 4.034 4.532 -0.498 2 1 588 . 1 1 A 53 53 ASN C C 59 176.319 174.771 1.548 2 1 589 . 1 1 A 53 53 ASN CA C 59 57.108 54.292 2.816 2 1 590 . 1 1 A 53 53 ASN CB C 59 39.672 37.707 1.965 2 1 591 . 1 1 A 53 53 ASN N N 59 117.281 119.169 -1.888 2 1 592 . 1 1 A 54 54 GLY H H 60 8.949 8.381 0.568 2 1 593 . 1 1 A 54 54 GLY HA2 H 60 4.222 3.999 0.223 2 1 594 . 1 1 A 54 54 GLY HA3 H 60 3.348 4.016 -0.668 2 1 595 . 1 1 A 54 54 GLY C C 60 174.096 172.686 1.410 2 1 596 . 1 1 A 54 54 GLY CA C 60 44.931 45.567 -0.636 2 1 597 . 1 1 A 54 54 GLY N N 60 114.860 106.424 8.436 2 1 598 . 1 1 A 55 55 ASP H H 61 7.991 8.362 -0.371 2 1 599 . 1 1 A 55 55 ASP HA H 61 4.493 5.047 -0.554 2 1 602 . 1 1 A 55 55 ASP C C 61 174.727 174.320 0.407 2 1 603 . 1 1 A 55 55 ASP CA C 61 54.408 52.764 1.644 2 1 604 . 1 1 A 55 55 ASP CB C 61 41.780 43.516 -1.736 2 1 605 . 1 1 A 55 55 ASP N N 61 121.974 123.088 -1.114 2 1 606 . 1 1 A 56 56 SER H H 62 8.485 8.558 -0.073 2 1 607 . 1 1 A 56 56 SER HA H 62 4.959 5.262 -0.303 2 1 610 . 1 1 A 56 56 SER C C 62 173.099 172.356 0.743 2 1 611 . 1 1 A 56 56 SER CA C 62 57.154 56.907 0.247 2 1 612 . 1 1 A 56 56 SER CB C 62 64.522 66.003 -1.481 2 1 613 . 1 1 A 56 56 SER N N 62 113.088 114.379 -1.291 2 1 614 . 1 1 A 57 57 LEU H H 63 9.004 8.842 0.162 2 1 615 . 1 1 A 57 57 LEU HA H 63 4.500 4.866 -0.366 2 1 625 . 1 1 A 57 57 LEU C C 63 175.943 175.560 0.383 2 1 626 . 1 1 A 57 57 LEU CA C 63 53.070 54.084 -1.014 2 1 627 . 1 1 A 57 57 LEU CB C 63 43.800 44.443 -0.643 2 1 630 . 1 1 A 57 57 LEU N N 63 126.423 125.004 1.419 2 1 631 . 1 1 A 58 58 ASN H H 64 8.484 8.807 -0.323 2 1 632 . 1 1 A 58 58 ASN HA H 64 4.752 4.893 -0.141 2 1 635 . 1 1 A 58 58 ASN C C 64 173.916 175.553 -1.637 2 1 636 . 1 1 A 58 58 ASN CA C 64 50.587 53.528 -2.941 2 1 637 . 1 1 A 58 58 ASN CB C 64 35.153 39.077 -3.924 2 1 638 . 1 1 A 58 58 ASN N N 64 125.624 124.896 0.728 2 1 639 . 1 1 A 59 59 THR H H 65 7.747 8.578 -0.831 2 1 640 . 1 1 A 59 59 THR HA H 65 4.770 4.646 0.124 2 1 645 . 1 1 A 59 59 THR C C 65 177.245 174.644 2.601 2 1 646 . 1 1 A 59 59 THR CA C 65 63.213 61.516 1.697 2 1 647 . 1 1 A 59 59 THR CB C 65 63.510 70.379 -6.869 2 1 649 . 1 1 A 59 59 THR N N 65 113.770 115.680 -1.910 2 1 650 . 1 1 A 60 60 GLY H H 66 8.869 8.344 0.525 2 1 651 . 1 1 A 60 60 GLY HA2 H 66 3.839 3.902 -0.063 2 1 652 . 1 1 A 60 60 GLY HA3 H 66 3.724 3.909 -0.185 2 1 653 . 1 1 A 60 60 GLY C C 66 173.279 174.754 -1.475 2 1 654 . 1 1 A 60 60 GLY CA C 66 44.892 46.037 -1.145 2 1 655 . 1 1 A 60 60 GLY N N 66 114.430 111.157 3.273 2 1 656 . 1 1 A 61 61 LYS H H 67 6.376 8.542 -2.166 2 1 657 . 1 1 A 61 61 LYS HA H 67 4.021 4.273 -0.252 2 1 666 . 1 1 A 61 61 LYS C C 67 176.315 176.123 0.192 2 1 667 . 1 1 A 61 61 LYS CA C 67 54.298 56.696 -2.398 2 1 668 . 1 1 A 61 61 LYS CB C 67 32.200 32.011 0.189 2 1 672 . 1 1 A 61 61 LYS N N 67 112.620 122.649 -10.029 2 1 673 . 1 1 A 62 62 LEU H H 68 7.335 7.984 -0.649 2 1 674 . 1 1 A 62 62 LEU HA H 68 4.275 4.340 -0.065 2 1 684 . 1 1 A 62 62 LEU C C 68 176.306 176.133 0.173 2 1 685 . 1 1 A 62 62 LEU CA C 68 52.479 55.502 -3.023 2 1 686 . 1 1 A 62 62 LEU CB C 68 40.600 42.242 -1.642 2 1 689 . 1 1 A 62 62 LEU N N 68 116.704 122.011 -5.307 2 1 690 . 1 1 A 63 63 LYS H H 69 8.506 8.168 0.338 2 1 691 . 1 1 A 63 63 LYS HA H 69 3.992 4.496 -0.504 2 1 700 . 1 1 A 63 63 LYS C C 69 175.886 175.951 -0.065 2 1 701 . 1 1 A 63 63 LYS CA C 69 54.986 56.106 -1.120 2 1 702 . 1 1 A 63 63 LYS CB C 69 32.447 34.127 -1.680 2 1 706 . 1 1 A 63 63 LYS N N 69 119.841 120.546 -0.705 2 1 707 . 1 1 A 64 64 ASN H H 70 8.080 8.585 -0.505 2 1 708 . 1 1 A 64 64 ASN HA H 70 3.839 4.692 -0.853 2 1 713 . 1 1 A 64 64 ASN C C 70 174.449 174.850 -0.401 2 1 714 . 1 1 A 64 64 ASN CA C 70 54.417 53.776 0.641 2 1 715 . 1 1 A 64 64 ASN CB C 70 38.129 38.822 -0.693 2 1 716 . 1 1 A 64 64 ASN N N 70 121.515 119.998 1.517 2 1 718 . 1 1 A 65 65 ASP H H 71 9.218 8.446 0.772 2 1 719 . 1 1 A 65 65 ASP HA H 71 3.690 4.725 -1.035 2 1 722 . 1 1 A 65 65 ASP C C 71 173.016 175.032 -2.016 2 1 723 . 1 1 A 65 65 ASP CA C 71 54.726 54.581 0.145 2 1 724 . 1 1 A 65 65 ASP CB C 71 38.534 40.250 -1.716 2 1 725 . 1 1 A 65 65 ASP N N 71 113.370 116.936 -3.566 2 1 726 . 1 1 A 66 66 LYS H H 72 6.443 7.906 -1.463 2 1 727 . 1 1 A 66 66 LYS HA H 72 4.411 4.836 -0.425 2 1 734 . 1 1 A 66 66 LYS C C 72 174.745 174.713 0.032 2 1 735 . 1 1 A 66 66 LYS CA C 72 53.094 54.571 -1.477 2 1 736 . 1 1 A 66 66 LYS CB C 72 36.099 35.645 0.454 2 1 739 . 1 1 A 66 66 LYS N N 72 113.415 116.575 -3.160 2 1 740 . 1 1 A 67 67 VAL H H 73 8.679 8.324 0.355 2 1 741 . 1 1 A 67 67 VAL HA H 73 4.189 4.313 -0.124 2 1 749 . 1 1 A 67 67 VAL C C 73 176.630 175.089 1.541 2 1 750 . 1 1 A 67 67 VAL CA C 73 62.135 60.863 1.272 2 1 751 . 1 1 A 67 67 VAL CB C 73 32.001 32.687 -0.686 2 1 753 . 1 1 A 67 67 VAL N N 73 122.098 119.104 2.994 2 1 754 . 1 1 A 68 68 SER H H 74 9.497 8.965 0.532 2 1 755 . 1 1 A 68 68 SER HA H 74 4.507 4.896 -0.389 2 1 758 . 1 1 A 68 68 SER C C 74 172.249 173.867 -1.618 2 1 759 . 1 1 A 68 68 SER CA C 74 58.323 57.547 0.776 2 1 760 . 1 1 A 68 68 SER CB C 74 64.028 64.559 -0.531 2 1 761 . 1 1 A 68 68 SER N N 74 127.048 122.471 4.577 2 1 762 . 1 1 A 69 69 ARG H H 75 7.848 8.342 -0.494 2 1 763 . 1 1 A 69 69 ARG HA H 75 5.031 4.620 0.411 2 1 770 . 1 1 A 69 69 ARG C C 75 173.300 175.518 -2.218 2 1 771 . 1 1 A 69 69 ARG CA C 75 55.337 55.620 -0.283 2 1 772 . 1 1 A 69 69 ARG CB C 75 31.871 31.089 0.782 2 1 775 . 1 1 A 69 69 ARG N N 75 122.621 123.046 -0.425 2 1 776 . 1 1 A 70 70 PHE H H 76 9.246 8.762 0.484 2 1 777 . 1 1 A 70 70 PHE HA H 76 4.808 5.003 -0.195 2 1 784 . 1 1 A 70 70 PHE C C 76 175.788 174.356 1.432 2 1 785 . 1 1 A 70 70 PHE CA C 76 55.245 56.660 -1.415 2 1 786 . 1 1 A 70 70 PHE CB C 76 43.645 43.440 0.205 2 1 787 . 1 1 A 70 70 PHE N N 76 118.087 120.221 -2.134 2 1 788 . 1 1 A 71 71 ASP H H 77 9.144 8.999 0.145 2 1 789 . 1 1 A 71 71 ASP HA H 77 5.360 5.402 -0.042 2 1 792 . 1 1 A 71 71 ASP C C 77 176.477 175.439 1.038 2 1 793 . 1 1 A 71 71 ASP CA C 77 55.131 53.401 1.730 2 1 794 . 1 1 A 71 71 ASP CB C 77 41.301 43.180 -1.879 2 1 795 . 1 1 A 71 71 ASP N N 77 123.565 122.208 1.357 2 1 796 . 1 1 A 72 72 PHE H H 78 9.094 8.745 0.349 2 1 797 . 1 1 A 72 72 PHE HA H 78 6.431 5.427 1.004 2 1 805 . 1 1 A 72 72 PHE C C 78 174.014 173.186 0.828 2 1 806 . 1 1 A 72 72 PHE CA C 78 54.934 56.395 -1.461 2 1 807 . 1 1 A 72 72 PHE CB C 78 42.491 42.631 -0.140 2 1 808 . 1 1 A 72 72 PHE N N 78 119.663 121.514 -1.851 2 1 809 . 1 1 A 73 73 ILE H H 79 8.623 8.860 -0.237 2 1 810 . 1 1 A 73 73 ILE HA H 79 4.334 4.974 -0.640 2 1 820 . 1 1 A 73 73 ILE C C 79 173.961 174.606 -0.645 2 1 821 . 1 1 A 73 73 ILE CA C 79 61.222 59.738 1.484 2 1 822 . 1 1 A 73 73 ILE CB C 79 41.918 41.622 0.296 2 1 826 . 1 1 A 73 73 ILE N N 79 119.750 123.130 -3.380 2 1 827 . 1 1 A 74 74 ARG H H 80 9.052 8.917 0.135 2 1 828 . 1 1 A 74 74 ARG HA H 80 5.311 5.028 0.283 2 1 835 . 1 1 A 74 74 ARG C C 80 174.870 174.940 -0.070 2 1 836 . 1 1 A 74 74 ARG CA C 80 54.449 54.874 -0.425 2 1 837 . 1 1 A 74 74 ARG CB C 80 33.740 32.635 1.105 2 1 840 . 1 1 A 74 74 ARG N N 80 128.407 125.528 2.879 2 1 841 . 1 1 A 75 75 GLN H H 81 9.304 8.861 0.443 2 1 842 . 1 1 A 75 75 GLN HA H 81 5.562 5.097 0.465 2 1 849 . 1 1 A 75 75 GLN C C 81 173.678 174.040 -0.362 2 1 850 . 1 1 A 75 75 GLN CA C 81 53.745 54.614 -0.869 2 1 851 . 1 1 A 75 75 GLN CB C 81 34.013 32.281 1.732 2 1 853 . 1 1 A 75 75 GLN N N 81 125.481 122.441 3.040 2 1 855 . 1 1 A 76 76 ILE H H 82 8.592 8.675 -0.083 2 1 856 . 1 1 A 76 76 ILE HA H 82 4.576 4.769 -0.193 2 1 866 . 1 1 A 76 76 ILE C C 82 172.511 173.866 -1.355 2 1 867 . 1 1 A 76 76 ILE CA C 82 59.622 59.328 0.294 2 1 868 . 1 1 A 76 76 ILE CB C 82 42.248 41.550 0.698 2 1 872 . 1 1 A 76 76 ILE N N 82 115.536 123.434 -7.898 2 1 873 . 1 1 A 77 77 GLU H H 83 8.433 8.550 -0.117 2 1 874 . 1 1 A 77 77 GLU HA H 83 4.936 4.734 0.202 2 1 879 . 1 1 A 77 77 GLU C C 83 175.614 175.558 0.056 2 1 880 . 1 1 A 77 77 GLU CA C 83 54.812 55.822 -1.010 2 1 881 . 1 1 A 77 77 GLU CB C 83 30.465 29.894 0.571 2 1 883 . 1 1 A 77 77 GLU N N 83 124.858 126.967 -2.109 2 1 884 . 1 1 A 78 78 VAL H H 84 8.879 8.385 0.494 2 1 885 . 1 1 A 78 78 VAL HA H 84 4.076 4.241 -0.165 2 1 893 . 1 1 A 78 78 VAL C C 84 175.694 175.695 -0.001 2 1 894 . 1 1 A 78 78 VAL CA C 84 61.382 61.772 -0.390 2 1 895 . 1 1 A 78 78 VAL CB C 84 34.014 32.212 1.802 2 1 897 . 1 1 A 78 78 VAL N N 84 126.973 123.576 3.397 2 1 898 . 1 1 A 79 79 ASP H H 85 9.329 9.448 -0.119 2 1 899 . 1 1 A 79 79 ASP HA H 85 4.156 4.318 -0.162 2 1 902 . 1 1 A 79 79 ASP C C 85 175.774 176.033 -0.259 2 1 903 . 1 1 A 79 79 ASP CA C 85 55.125 55.429 -0.304 2 1 904 . 1 1 A 79 79 ASP CB C 85 38.926 39.569 -0.643 2 1 905 . 1 1 A 79 79 ASP N N 85 129.387 126.659 2.728 2 1 906 . 1 1 A 80 80 GLY H H 86 8.575 8.567 0.008 2 1 907 . 1 1 A 80 80 GLY HA2 H 86 3.992 3.851 0.141 2 1 908 . 1 1 A 80 80 GLY HA3 H 86 3.507 3.851 -0.344 2 1 909 . 1 1 A 80 80 GLY C C 86 173.366 173.777 -0.411 2 1 910 . 1 1 A 80 80 GLY CA C 86 44.759 45.473 -0.714 2 1 911 . 1 1 A 80 80 GLY N N 86 103.293 104.418 -1.125 2 1 912 . 1 1 A 81 81 GLN H H 87 7.751 8.038 -0.287 2 1 913 . 1 1 A 81 81 GLN HA H 87 4.482 4.696 -0.214 2 1 918 . 1 1 A 81 81 GLN C C 87 173.874 174.827 -0.953 2 1 919 . 1 1 A 81 81 GLN CA C 87 53.328 54.459 -1.131 2 1 920 . 1 1 A 81 81 GLN CB C 87 30.670 31.050 -0.380 2 1 922 . 1 1 A 81 81 GLN N N 87 119.688 119.312 0.376 2 1 923 . 1 1 A 82 82 LEU H H 88 8.418 8.827 -0.409 2 1 924 . 1 1 A 82 82 LEU HA H 88 4.630 4.919 -0.289 2 1 934 . 1 1 A 82 82 LEU C C 88 176.289 175.687 0.602 2 1 935 . 1 1 A 82 82 LEU CA C 88 53.834 53.831 0.003 2 1 936 . 1 1 A 82 82 LEU CB C 88 41.737 42.782 -1.045 2 1 940 . 1 1 A 82 82 LEU N N 88 123.523 123.572 -0.049 2 1 941 . 1 1 A 83 83 ILE H H 89 9.146 8.789 0.357 2 1 942 . 1 1 A 83 83 ILE HA H 89 4.249 4.902 -0.653 2 1 952 . 1 1 A 83 83 ILE C C 89 175.698 175.047 0.651 2 1 953 . 1 1 A 83 83 ILE CA C 89 59.363 60.051 -0.688 2 1 954 . 1 1 A 83 83 ILE CB C 89 39.633 40.641 -1.008 2 1 958 . 1 1 A 83 83 ILE N N 89 127.151 124.994 2.157 2 1 959 . 1 1 A 84 84 THR H H 90 8.656 8.788 -0.132 2 1 960 . 1 1 A 84 84 THR HA H 90 4.203 4.758 -0.555 2 1 965 . 1 1 A 84 84 THR C C 90 172.890 174.140 -1.250 2 1 966 . 1 1 A 84 84 THR CA C 90 62.641 60.936 1.705 2 1 967 . 1 1 A 84 84 THR CB C 90 68.634 69.306 -0.672 2 1 969 . 1 1 A 84 84 THR N N 90 123.099 121.139 1.960 2 1 970 . 1 1 A 85 85 LEU H H 91 8.967 8.378 0.589 2 1 971 . 1 1 A 85 85 LEU HA H 91 4.256 4.560 -0.304 2 1 980 . 1 1 A 85 85 LEU C C 91 177.371 175.951 1.420 2 1 981 . 1 1 A 85 85 LEU CA C 91 55.527 54.641 0.886 2 1 982 . 1 1 A 85 85 LEU CB C 91 44.315 43.243 1.072 2 1 984 . 1 1 A 85 85 LEU N N 91 125.333 125.922 -0.589 2 1 985 . 1 1 A 86 86 GLU H H 92 7.503 7.871 -0.368 2 1 986 . 1 1 A 86 86 GLU HA H 92 5.026 4.880 0.146 2 1 991 . 1 1 A 86 86 GLU C C 92 172.723 175.459 -2.736 2 1 992 . 1 1 A 86 86 GLU CA C 92 54.670 55.298 -0.628 2 1 993 . 1 1 A 86 86 GLU CB C 92 33.717 31.546 2.171 2 1 995 . 1 1 A 86 86 GLU N N 92 116.655 119.453 -2.798 2 1 996 . 1 1 A 87 87 SER H H 93 8.954 8.683 0.271 2 1 997 . 1 1 A 87 87 SER HA H 93 4.245 5.322 -1.077 2 1 1000 . 1 1 A 87 87 SER C C 93 172.763 173.336 -0.573 2 1 1001 . 1 1 A 87 87 SER CA C 93 57.328 56.908 0.420 2 1 1002 . 1 1 A 87 87 SER CB C 93 65.493 66.308 -0.815 2 1 1003 . 1 1 A 87 87 SER N N 93 117.941 118.659 -0.718 2 1 1004 . 1 1 A 88 88 GLY H H 94 6.932 7.975 -1.043 2 1 1005 . 1 1 A 88 88 GLY HA2 H 94 3.694 4.224 -0.530 2 1 1006 . 1 1 A 88 88 GLY HA3 H 94 3.694 4.268 -0.574 2 1 1007 . 1 1 A 88 88 GLY C C 94 171.117 171.802 -0.685 2 1 1008 . 1 1 A 88 88 GLY CA C 94 46.575 45.925 0.650 2 1 1009 . 1 1 A 88 88 GLY N N 94 108.625 109.111 -0.486 2 1 1010 . 1 1 A 89 89 GLU H H 95 9.669 8.868 0.801 2 1 1011 . 1 1 A 89 89 GLU HA H 95 5.642 5.052 0.590 2 1 1016 . 1 1 A 89 89 GLU C C 95 173.226 175.359 -2.133 2 1 1017 . 1 1 A 89 89 GLU CA C 95 54.786 55.468 -0.682 2 1 1018 . 1 1 A 89 89 GLU CB C 95 34.334 31.987 2.347 2 1 1020 . 1 1 A 89 89 GLU N N 95 128.231 120.973 7.258 2 1 1021 . 1 1 A 90 90 PHE H H 96 10.365 8.978 1.387 2 1 1022 . 1 1 A 90 90 PHE HA H 96 5.048 4.636 0.412 2 1 1029 . 1 1 A 90 90 PHE C C 96 173.039 173.559 -0.520 2 1 1030 . 1 1 A 90 90 PHE CA C 96 54.616 57.440 -2.824 2 1 1031 . 1 1 A 90 90 PHE CB C 96 42.090 40.743 1.347 2 1 1032 . 1 1 A 90 90 PHE N N 96 131.583 125.634 5.949 2 1 1033 . 1 1 A 91 91 GLN H H 97 8.685 8.579 0.106 2 1 1034 . 1 1 A 91 91 GLN HA H 97 4.959 4.820 0.139 2 1 1041 . 1 1 A 91 91 GLN C C 97 174.151 174.645 -0.494 2 1 1042 . 1 1 A 91 91 GLN CA C 97 53.174 54.811 -1.637 2 1 1043 . 1 1 A 91 91 GLN CB C 97 28.812 30.283 -1.471 2 1 1045 . 1 1 A 91 91 GLN N N 97 126.465 127.123 -0.658 2 1 1047 . 1 1 A 92 92 VAL H H 98 8.675 8.880 -0.205 2 1 1048 . 1 1 A 92 92 VAL HA H 98 4.569 4.455 0.114 2 1 1056 . 1 1 A 92 92 VAL C C 98 173.802 174.311 -0.509 2 1 1057 . 1 1 A 92 92 VAL CA C 98 59.715 61.333 -1.618 2 1 1058 . 1 1 A 92 92 VAL CB C 98 35.074 33.226 1.848 2 1 1061 . 1 1 A 92 92 VAL N N 98 118.841 125.975 -7.134 2 1 1062 . 1 1 A 93 93 TYR H H 99 8.896 9.062 -0.166 2 1 1063 . 1 1 A 93 93 TYR HA H 99 4.940 4.752 0.188 2 1 1070 . 1 1 A 93 93 TYR C C 99 173.330 174.716 -1.386 2 1 1071 . 1 1 A 93 93 TYR CA C 99 56.948 57.514 -0.566 2 1 1072 . 1 1 A 93 93 TYR CB C 99 40.780 39.600 1.180 2 1 1073 . 1 1 A 93 93 TYR N N 99 127.563 128.581 -1.018 2 1 1074 . 1 1 A 94 94 LYS H H 100 5.813 9.162 -3.349 2 1 1075 . 1 1 A 94 94 LYS HA H 100 4.248 4.959 -0.711 2 1 1082 . 1 1 A 94 94 LYS CA C 100 55.660 55.260 0.400 2 1 1083 . 1 1 A 94 94 LYS CB C 100 35.870 34.344 1.526 2 1 1084 . 1 1 A 94 94 LYS N N 100 128.378 125.896 2.482 2 1 1085 . 1 1 A 95 95 GLN H H 101 8.438 8.455 -0.017 2 1 1086 . 1 1 A 95 95 GLN HA H 101 5.028 4.710 0.318 2 1 1091 . 1 1 A 95 95 GLN C C 101 174.080 175.755 -1.675 2 1 1092 . 1 1 A 95 95 GLN CA C 101 54.043 54.447 -0.404 2 1 1093 . 1 1 A 95 95 GLN CB C 101 27.209 31.287 -4.078 2 1 1095 . 1 1 A 95 95 GLN N N 101 125.809 124.880 0.929 2 1 1096 . 1 1 A 96 96 SER H H 102 9.057 8.630 0.427 2 1 1097 . 1 1 A 96 96 SER HA H 102 3.041 4.192 -1.151 2 1 1100 . 1 1 A 96 96 SER CA C 102 62.985 60.600 2.385 2 1 1101 . 1 1 A 96 96 SER CB C 102 63.242 63.331 -0.089 2 1 1102 . 1 1 A 96 96 SER N N 102 117.650 116.882 0.768 2 1 1103 . 1 1 A 97 97 HIS H H 103 10.115 8.141 1.974 2 1 1104 . 1 1 A 97 97 HIS HA H 103 4.406 4.594 -0.188 2 1 1109 . 1 1 A 97 97 HIS CA C 103 53.809 56.464 -2.655 2 1 1110 . 1 1 A 97 97 HIS CB C 103 30.329 30.328 0.001 2 1 1111 . 1 1 A 97 97 HIS N N 103 118.385 116.578 1.807 2 1 1112 . 1 1 A 98 98 SER H H 104 7.241 7.782 -0.541 2 1 1113 . 1 1 A 98 98 SER HA H 104 4.406 4.795 -0.389 2 1 1116 . 1 1 A 98 98 SER CA C 104 56.712 57.128 -0.416 2 1 1117 . 1 1 A 98 98 SER CB C 104 65.461 65.430 0.031 2 1 1118 . 1 1 A 98 98 SER N N 104 112.298 112.913 -0.615 2 1 1119 . 1 1 A 99 99 ALA H H 105 8.418 8.565 -0.147 2 1 1120 . 1 1 A 99 99 ALA HA H 105 4.753 5.097 -0.344 2 1 1124 . 1 1 A 99 99 ALA C C 105 173.181 176.090 -2.909 2 1 1125 . 1 1 A 99 99 ALA CA C 105 51.363 51.471 -0.108 2 1 1126 . 1 1 A 99 99 ALA CB C 105 22.271 23.085 -0.814 2 1 1127 . 1 1 A 99 99 ALA N N 105 116.790 122.991 -6.201 2 1 1128 . 1 1 A 100 100 LEU H H 106 8.376 8.604 -0.228 2 1 1129 . 1 1 A 100 100 LEU HA H 106 5.549 5.310 0.239 2 1 1139 . 1 1 A 100 100 LEU C C 106 175.338 174.855 0.483 2 1 1140 . 1 1 A 100 100 LEU CA C 106 53.753 53.201 0.552 2 1 1141 . 1 1 A 100 100 LEU CB C 106 46.393 46.327 0.066 2 1 1145 . 1 1 A 100 100 LEU N N 106 115.214 117.497 -2.283 2 1 1146 . 1 1 A 101 101 THR H H 107 8.685 8.704 -0.019 2 1 1147 . 1 1 A 101 101 THR HA H 107 5.287 5.072 0.215 2 1 1152 . 1 1 A 101 101 THR C C 107 172.493 172.966 -0.473 2 1 1153 . 1 1 A 101 101 THR CA C 107 57.069 59.743 -2.674 2 1 1154 . 1 1 A 101 101 THR CB C 107 71.308 71.589 -0.281 2 1 1156 . 1 1 A 101 101 THR N N 107 109.441 116.161 -6.720 2 1 1157 . 1 1 A 102 102 ALA H H 108 8.459 8.347 0.112 2 1 1158 . 1 1 A 102 102 ALA HA H 108 4.366 5.163 -0.797 2 1 1162 . 1 1 A 102 102 ALA C C 108 173.439 175.789 -2.350 2 1 1163 . 1 1 A 102 102 ALA CA C 108 51.015 50.582 0.433 2 1 1164 . 1 1 A 102 102 ALA CB C 108 23.424 23.427 -0.003 2 1 1165 . 1 1 A 102 102 ALA N N 108 120.716 126.846 -6.130 2 1 1166 . 1 1 A 103 103 PHE H H 109 8.510 8.908 -0.398 2 1 1167 . 1 1 A 103 103 PHE HA H 109 4.715 5.159 -0.444 2 1 1175 . 1 1 A 103 103 PHE C C 109 174.173 174.941 -0.768 2 1 1176 . 1 1 A 103 103 PHE CA C 109 56.640 56.396 0.244 2 1 1177 . 1 1 A 103 103 PHE CB C 109 41.926 41.667 0.259 2 1 1178 . 1 1 A 103 103 PHE N N 109 115.041 119.065 -4.024 2 1 1179 . 1 1 A 104 104 GLN H H 110 9.832 8.657 1.175 2 1 1180 . 1 1 A 104 104 GLN HA H 110 5.226 5.023 0.203 2 1 1187 . 1 1 A 104 104 GLN C C 110 175.186 174.304 0.882 2 1 1188 . 1 1 A 104 104 GLN CA C 110 53.213 55.079 -1.866 2 1 1189 . 1 1 A 104 104 GLN CB C 110 29.161 30.893 -1.732 2 1 1191 . 1 1 A 104 104 GLN N N 110 124.526 121.402 3.124 2 1 1193 . 1 1 A 105 105 THR H H 111 9.566 8.739 0.827 2 1 1194 . 1 1 A 105 105 THR HA H 111 4.186 4.840 -0.654 2 1 1199 . 1 1 A 105 105 THR C C 111 174.538 173.733 0.805 2 1 1200 . 1 1 A 105 105 THR CA C 111 66.408 61.061 5.347 2 1 1201 . 1 1 A 105 105 THR CB C 111 69.385 70.446 -1.061 2 1 1203 . 1 1 A 105 105 THR N N 111 126.760 119.954 6.806 2 1 1204 . 1 1 A 106 106 GLU H H 112 9.303 8.910 0.393 2 1 1205 . 1 1 A 106 106 GLU HA H 112 4.811 4.691 0.120 2 1 1210 . 1 1 A 106 106 GLU C C 112 177.397 176.239 1.158 2 1 1211 . 1 1 A 106 106 GLU CA C 112 56.227 57.013 -0.786 2 1 1212 . 1 1 A 106 106 GLU CB C 112 31.283 31.695 -0.412 2 1 1214 . 1 1 A 106 106 GLU N N 112 121.685 124.677 -2.992 2 1 1215 . 1 1 A 107 107 GLN H H 113 7.954 7.804 0.150 2 1 1216 . 1 1 A 107 107 GLN HA H 113 5.233 4.931 0.302 2 1 1221 . 1 1 A 107 107 GLN C C 113 173.999 174.443 -0.444 2 1 1222 . 1 1 A 107 107 GLN CA C 113 53.837 54.832 -0.995 2 1 1223 . 1 1 A 107 107 GLN CB C 113 32.543 31.230 1.313 2 1 1225 . 1 1 A 107 107 GLN N N 113 117.612 116.603 1.009 2 1 1226 . 1 1 A 108 108 ILE H H 114 8.969 8.674 0.295 2 1 1227 . 1 1 A 108 108 ILE HA H 114 4.907 4.867 0.040 2 1 1237 . 1 1 A 108 108 ILE C C 114 174.089 174.147 -0.058 2 1 1238 . 1 1 A 108 108 ILE CA C 114 58.954 58.864 0.090 2 1 1239 . 1 1 A 108 108 ILE CB C 114 42.799 42.022 0.777 2 1 1243 . 1 1 A 108 108 ILE N N 114 115.049 121.003 -5.954 2 1 1244 . 1 1 A 109 109 GLN H H 115 7.421 8.466 -1.045 2 1 1245 . 1 1 A 109 109 GLN HA H 115 4.405 4.659 -0.254 2 1 1252 . 1 1 A 109 109 GLN C C 115 175.654 174.627 1.027 2 1 1253 . 1 1 A 109 109 GLN CA C 115 56.086 55.394 0.692 2 1 1254 . 1 1 A 109 109 GLN CB C 115 28.483 29.925 -1.442 2 1 1256 . 1 1 A 109 109 GLN N N 115 121.959 124.071 -2.112 2 1 1258 . 1 1 A 110 110 ASP H H 116 8.569 8.677 -0.108 2 1 1259 . 1 1 A 110 110 ASP HA H 116 4.377 5.077 -0.700 2 1 1262 . 1 1 A 110 110 ASP C C 116 176.662 176.122 0.540 2 1 1263 . 1 1 A 110 110 ASP CA C 116 53.511 53.072 0.439 2 1 1264 . 1 1 A 110 110 ASP CB C 116 41.187 43.031 -1.844 2 1 1265 . 1 1 A 110 110 ASP N N 116 125.621 123.582 2.039 2 1 1266 . 1 1 A 111 111 SER H H 117 8.445 8.867 -0.422 2 1 1267 . 1 1 A 111 111 SER HA H 117 4.024 4.538 -0.514 2 1 1270 . 1 1 A 111 111 SER C C 117 174.783 175.175 -0.392 2 1 1271 . 1 1 A 111 111 SER CA C 117 60.782 58.798 1.984 2 1 1272 . 1 1 A 111 111 SER CB C 117 62.560 63.065 -0.505 2 1 1273 . 1 1 A 111 111 SER N N 117 120.732 120.221 0.511 2 1 1274 . 1 1 A 112 112 GLU H H 118 8.246 8.301 -0.055 2 1 1275 . 1 1 A 112 112 GLU HA H 118 4.044 4.423 -0.379 2 1 1280 . 1 1 A 112 112 GLU C C 118 175.899 177.061 -1.162 2 1 1281 . 1 1 A 112 112 GLU CA C 118 56.016 57.462 -1.446 2 1 1282 . 1 1 A 112 112 GLU CB C 118 29.853 30.798 -0.945 2 1 1284 . 1 1 A 112 112 GLU N N 118 119.367 120.196 -0.829 2 1 1285 . 1 1 A 113 113 HIS H H 119 7.418 7.901 -0.483 2 1 1286 . 1 1 A 113 113 HIS HA H 119 4.607 4.682 -0.075 2 1 1291 . 1 1 A 113 113 HIS C C 119 173.527 175.081 -1.554 2 1 1292 . 1 1 A 113 113 HIS CA C 119 54.515 56.137 -1.622 2 1 1293 . 1 1 A 113 113 HIS CB C 119 28.667 30.353 -1.686 2 1 1294 . 1 1 A 113 113 HIS N N 119 117.287 119.498 -2.211 2 1 1295 . 1 1 A 114 114 SER H H 120 8.398 8.200 0.198 2 1 1296 . 1 1 A 114 114 SER HA H 120 4.183 4.209 -0.026 2 1 1299 . 1 1 A 114 114 SER C C 120 175.690 174.443 1.247 2 1 1300 . 1 1 A 114 114 SER CA C 120 59.149 59.353 -0.204 2 1 1301 . 1 1 A 114 114 SER CB C 120 62.820 62.069 0.751 2 1 1302 . 1 1 A 114 114 SER N N 120 116.771 113.880 2.891 2 1 1303 . 1 1 A 115 115 GLY H H 121 8.733 8.190 0.543 2 1 1304 . 1 1 A 115 115 GLY HA2 H 121 4.052 4.070 -0.018 2 1 1305 . 1 1 A 115 115 GLY HA3 H 121 3.724 4.084 -0.360 2 1 1306 . 1 1 A 115 115 GLY C C 121 173.540 174.145 -0.605 2 1 1307 . 1 1 A 115 115 GLY CA C 121 44.692 45.578 -0.886 2 1 1308 . 1 1 A 115 115 GLY N N 121 112.197 107.354 4.843 2 1 1309 . 1 1 A 116 116 LYS H H 122 7.796 7.690 0.106 2 1 1310 . 1 1 A 116 116 LYS HA H 122 4.465 4.651 -0.186 2 1 1317 . 1 1 A 116 116 LYS C C 122 175.090 175.226 -0.136 2 1 1318 . 1 1 A 116 116 LYS CA C 122 55.122 55.162 -0.040 2 1 1319 . 1 1 A 116 116 LYS CB C 122 33.861 34.864 -1.003 2 1 1322 . 1 1 A 116 116 LYS N N 122 120.212 119.286 0.926 2 1 1323 . 1 1 A 117 117 MET H H 123 8.348 8.715 -0.367 2 1 1324 . 1 1 A 117 117 MET HA H 123 5.082 5.213 -0.131 2 1 1332 . 1 1 A 117 117 MET C C 123 176.210 174.554 1.656 2 1 1333 . 1 1 A 117 117 MET CA C 123 52.928 53.947 -1.019 2 1 1334 . 1 1 A 117 117 MET CB C 123 33.841 35.779 -1.938 2 1 1337 . 1 1 A 117 117 MET N N 123 119.755 118.995 0.760 2 1 1338 . 1 1 A 118 118 VAL H H 124 9.242 8.824 0.418 2 1 1339 . 1 1 A 118 118 VAL HA H 124 4.469 4.843 -0.374 2 1 1347 . 1 1 A 118 118 VAL C C 124 173.967 174.201 -0.234 2 1 1348 . 1 1 A 118 118 VAL CA C 124 59.056 59.727 -0.671 2 1 1349 . 1 1 A 118 118 VAL CB C 124 34.376 35.619 -1.243 2 1 1351 . 1 1 A 118 118 VAL N N 124 118.546 118.626 -0.080 2 1 1352 . 1 1 A 119 119 ALA H H 125 8.327 8.748 -0.421 2 1 1353 . 1 1 A 119 119 ALA HA H 125 4.624 4.859 -0.235 2 1 1357 . 1 1 A 119 119 ALA C C 125 177.165 176.445 0.720 2 1 1358 . 1 1 A 119 119 ALA CA C 125 52.043 51.128 0.915 2 1 1359 . 1 1 A 119 119 ALA CB C 125 18.232 19.293 -1.061 2 1 1360 . 1 1 A 119 119 ALA N N 125 125.947 126.581 -0.634 2 1 1361 . 1 1 A 120 120 LYS H H 126 7.604 8.343 -0.739 2 1 1362 . 1 1 A 120 120 LYS HA H 126 4.046 4.712 -0.666 2 1 1371 . 1 1 A 120 120 LYS C C 126 172.631 175.818 -3.187 2 1 1372 . 1 1 A 120 120 LYS CA C 126 56.023 55.206 0.817 2 1 1373 . 1 1 A 120 120 LYS CB C 126 34.482 33.282 1.200 2 1 1377 . 1 1 A 120 120 LYS N N 126 126.149 121.898 4.251 2 1 1378 . 1 1 A 121 121 ARG H H 127 8.308 8.602 -0.294 2 1 1379 . 1 1 A 121 121 ARG HA H 127 4.901 4.595 0.306 2 1 1384 . 1 1 A 121 121 ARG C C 127 176.253 175.273 0.980 2 1 1385 . 1 1 A 121 121 ARG CA C 127 55.564 55.741 -0.177 2 1 1386 . 1 1 A 121 121 ARG CB C 127 28.273 29.201 -0.928 2 1 1388 . 1 1 A 121 121 ARG N N 127 122.760 123.429 -0.669 2 1 1389 . 1 1 A 122 122 GLN H H 128 7.529 8.501 -0.972 2 1 1390 . 1 1 A 122 122 GLN HA H 128 4.541 4.696 -0.155 2 1 1397 . 1 1 A 122 122 GLN C C 128 172.163 174.921 -2.758 2 1 1398 . 1 1 A 122 122 GLN CA C 128 54.218 54.995 -0.777 2 1 1399 . 1 1 A 122 122 GLN CB C 128 32.064 28.968 3.096 2 1 1401 . 1 1 A 122 122 GLN N N 128 121.022 123.153 -2.131 2 1 1403 . 1 1 A 123 123 PHE H H 129 8.620 9.021 -0.401 2 1 1404 . 1 1 A 123 123 PHE HA H 129 6.040 5.349 0.691 2 1 1411 . 1 1 A 123 123 PHE C C 129 174.530 174.392 0.138 2 1 1412 . 1 1 A 123 123 PHE CA C 129 56.026 57.232 -1.206 2 1 1413 . 1 1 A 123 123 PHE CB C 129 42.143 41.085 1.058 2 1 1414 . 1 1 A 123 123 PHE N N 129 125.540 126.967 -1.427 2 1 1415 . 1 1 A 124 124 ARG H H 130 8.018 8.312 -0.294 2 1 1416 . 1 1 A 124 124 ARG HA H 130 4.366 4.593 -0.227 2 1 1423 . 1 1 A 124 124 ARG C C 130 172.139 174.191 -2.052 2 1 1424 . 1 1 A 124 124 ARG CA C 130 53.422 53.915 -0.493 2 1 1425 . 1 1 A 124 124 ARG CB C 130 32.310 34.088 -1.778 2 1 1428 . 1 1 A 124 124 ARG N N 130 125.264 124.488 0.776 2 1 1429 . 1 1 A 125 125 ILE H H 131 8.462 8.107 0.355 2 1 1430 . 1 1 A 125 125 ILE HA H 131 3.883 4.426 -0.543 2 1 1440 . 1 1 A 125 125 ILE C C 131 175.487 175.180 0.307 2 1 1441 . 1 1 A 125 125 ILE CA C 131 58.339 61.220 -2.881 2 1 1442 . 1 1 A 125 125 ILE CB C 131 35.673 39.418 -3.745 2 1 1446 . 1 1 A 125 125 ILE N N 131 121.887 123.708 -1.821 2 1 1447 . 1 1 A 126 126 GLY H H 132 8.814 8.102 0.712 2 1 1448 . 1 1 A 126 126 GLY HA2 H 132 4.062 4.232 -0.170 2 1 1449 . 1 1 A 126 126 GLY HA3 H 132 4.062 4.268 -0.206 2 1 1450 . 1 1 A 126 126 GLY C C 132 171.583 172.774 -1.191 2 1 1451 . 1 1 A 126 126 GLY CA C 132 44.157 44.560 -0.403 2 1 1452 . 1 1 A 126 126 GLY N N 132 115.675 114.751 0.924 2 1 1453 . 1 1 A 127 127 ASP H H 133 7.914 8.397 -0.483 2 1 1454 . 1 1 A 127 127 ASP HA H 133 4.584 4.822 -0.238 2 1 1457 . 1 1 A 127 127 ASP C C 133 174.132 175.586 -1.454 2 1 1458 . 1 1 A 127 127 ASP CA C 133 54.822 54.378 0.444 2 1 1459 . 1 1 A 127 127 ASP CB C 133 45.407 42.130 3.277 2 1 1460 . 1 1 A 127 127 ASP N N 133 123.737 120.208 3.529 2 1 1461 . 1 1 A 128 128 ILE H H 134 8.258 8.799 -0.541 2 1 1462 . 1 1 A 128 128 ILE HA H 134 4.392 4.720 -0.328 2 1 1472 . 1 1 A 128 128 ILE C C 134 174.799 175.024 -0.225 2 1 1473 . 1 1 A 128 128 ILE CA C 134 61.596 60.366 1.230 2 1 1474 . 1 1 A 128 128 ILE CB C 134 37.549 39.075 -1.526 2 1 1478 . 1 1 A 128 128 ILE N N 134 119.105 123.898 -4.793 2 1 1479 . 1 1 A 129 129 ALA H H 135 8.607 8.639 -0.032 2 1 1480 . 1 1 A 129 129 ALA HA H 135 4.757 5.106 -0.349 2 1 1484 . 1 1 A 129 129 ALA C C 135 173.358 176.770 -3.412 2 1 1485 . 1 1 A 129 129 ALA CA C 135 50.608 51.255 -0.647 2 1 1486 . 1 1 A 129 129 ALA CB C 135 23.348 21.551 1.797 2 1 1487 . 1 1 A 129 129 ALA N N 135 129.336 130.238 -0.902 2 1 1488 . 1 1 A 130 130 GLY H H 136 7.514 8.361 -0.847 2 1 1489 . 1 1 A 130 130 GLY HA2 H 136 3.551 3.497 0.054 2 1 1490 . 1 1 A 130 130 GLY HA3 H 136 4.422 4.053 0.369 2 1 1491 . 1 1 A 130 130 GLY C C 136 172.609 172.109 0.500 2 1 1492 . 1 1 A 130 130 GLY CA C 136 44.315 45.277 -0.962 2 1 1493 . 1 1 A 130 130 GLY N N 136 101.232 107.728 -6.496 2 1 1494 . 1 1 A 131 131 GLU H H 137 8.225 8.376 -0.151 2 1 1495 . 1 1 A 131 131 GLU HA H 137 4.540 4.602 -0.062 2 1 1500 . 1 1 A 131 131 GLU C C 137 174.864 175.722 -0.858 2 1 1501 . 1 1 A 131 131 GLU CA C 137 53.120 55.796 -2.676 2 1 1502 . 1 1 A 131 131 GLU CB C 137 28.254 30.037 -1.783 2 1 1504 . 1 1 A 131 131 GLU N N 137 121.002 120.315 0.687 2 1 1505 . 1 1 A 132 132 HIS H H 138 8.054 8.336 -0.282 2 1 1506 . 1 1 A 132 132 HIS HA H 138 4.771 4.999 -0.228 2 1 1511 . 1 1 A 132 132 HIS C C 138 175.411 174.612 0.799 2 1 1512 . 1 1 A 132 132 HIS CA C 138 57.942 55.668 2.274 2 1 1513 . 1 1 A 132 132 HIS CB C 138 27.710 30.969 -3.259 2 1 1514 . 1 1 A 132 132 HIS N N 138 124.204 121.994 2.210 2 1 1515 . 1 1 A 133 133 THR H H 139 9.056 8.626 0.430 2 1 1516 . 1 1 A 133 133 THR HA H 139 3.864 4.855 -0.991 2 1 1521 . 1 1 A 133 133 THR C C 139 174.178 173.985 0.193 2 1 1522 . 1 1 A 133 133 THR CA C 139 63.225 60.588 2.637 2 1 1523 . 1 1 A 133 133 THR CB C 139 68.127 70.763 -2.636 2 1 1525 . 1 1 A 133 133 THR N N 139 125.345 116.443 8.902 2 1 1526 . 1 1 A 134 134 SER H H 140 8.834 8.475 0.359 2 1 1527 . 1 1 A 134 134 SER HA H 140 4.560 4.569 -0.009 2 1 1530 . 1 1 A 134 134 SER C C 140 176.713 175.512 1.201 2 1 1531 . 1 1 A 134 134 SER CA C 140 57.961 58.784 -0.823 2 1 1532 . 1 1 A 134 134 SER CB C 140 63.030 63.384 -0.354 2 1 1533 . 1 1 A 134 134 SER N N 140 121.791 118.783 3.008 2 1 1534 . 1 1 A 135 135 PHE H H 141 9.597 8.320 1.277 2 1 1535 . 1 1 A 135 135 PHE HA H 141 3.953 4.322 -0.369 2 1 1542 . 1 1 A 135 135 PHE C C 141 175.375 176.945 -1.570 2 1 1543 . 1 1 A 135 135 PHE CA C 141 61.339 60.258 1.081 2 1 1544 . 1 1 A 135 135 PHE CB C 141 39.394 38.643 0.751 2 1 1545 . 1 1 A 135 135 PHE N N 141 128.822 122.250 6.572 2 1 1546 . 1 1 A 136 136 ASP H H 142 8.017 7.909 0.108 2 1 1547 . 1 1 A 136 136 ASP HA H 142 4.352 4.415 -0.063 2 1 1550 . 1 1 A 136 136 ASP C C 142 175.358 176.850 -1.492 2 1 1551 . 1 1 A 136 136 ASP CA C 142 55.223 55.540 -0.317 2 1 1552 . 1 1 A 136 136 ASP CB C 142 40.968 40.187 0.781 2 1 1553 . 1 1 A 136 136 ASP N N 142 113.108 119.499 -6.391 2 1 1554 . 1 1 A 137 137 LYS H H 143 7.340 7.577 -0.237 2 1 1555 . 1 1 A 137 137 LYS HA H 143 4.439 4.406 0.033 2 1 1564 . 1 1 A 137 137 LYS C C 143 175.571 176.263 -0.692 2 1 1565 . 1 1 A 137 137 LYS CA C 143 54.096 56.266 -2.170 2 1 1566 . 1 1 A 137 137 LYS CB C 143 32.545 33.568 -1.023 2 1 1570 . 1 1 A 137 137 LYS N N 143 117.716 117.379 0.337 2 1 1571 . 1 1 A 138 138 LEU H H 144 6.698 7.419 -0.721 2 1 1572 . 1 1 A 138 138 LEU HA H 144 3.903 4.486 -0.583 2 1 1582 . 1 1 A 138 138 LEU C C 144 174.123 175.460 -1.337 2 1 1583 . 1 1 A 138 138 LEU CA C 144 52.843 52.997 -0.154 2 1 1584 . 1 1 A 138 138 LEU CB C 144 40.993 41.845 -0.852 2 1 1588 . 1 1 A 138 138 LEU N N 144 120.536 120.956 -0.420 2 1 1589 . 1 1 A 139 139 PRO HA H 145 4.040 4.664 -0.624 2 1 1596 . 1 1 A 139 139 PRO C C 145 172.700 176.534 -3.834 2 1 1597 . 1 1 A 139 139 PRO CA C 145 62.654 62.663 -0.009 2 1 1598 . 1 1 A 139 139 PRO CB C 145 30.086 32.643 -2.557 2 1 1601 . 1 1 A 140 140 GLU H H 146 8.343 8.689 -0.346 2 1 1602 . 1 1 A 140 140 GLU HA H 146 3.970 4.611 -0.641 2 1 1607 . 1 1 A 140 140 GLU C C 146 176.009 176.416 -0.407 2 1 1608 . 1 1 A 140 140 GLU CA C 146 56.119 56.229 -0.110 2 1 1609 . 1 1 A 140 140 GLU CB C 146 30.086 29.678 0.408 2 1 1611 . 1 1 A 140 140 GLU N N 146 119.063 120.266 -1.203 2 1 1612 . 1 1 A 141 141 GLY H H 147 7.241 8.146 -0.905 2 1 1613 . 1 1 A 141 141 GLY HA2 H 147 3.918 4.018 -0.100 2 1 1614 . 1 1 A 141 141 GLY HA3 H 147 3.814 4.038 -0.224 2 1 1615 . 1 1 A 141 141 GLY C C 147 171.657 173.883 -2.226 2 1 1616 . 1 1 A 141 141 GLY CA C 147 43.929 46.036 -2.107 2 1 1617 . 1 1 A 141 141 GLY N N 147 104.270 109.096 -4.826 2 1 1618 . 1 1 A 142 142 GLY H H 148 8.241 8.096 0.145 2 1 1619 . 1 1 A 142 142 GLY HA2 H 148 3.710 4.095 -0.385 2 1 1620 . 1 1 A 142 142 GLY HA3 H 148 4.350 4.121 0.229 2 1 1621 . 1 1 A 142 142 GLY C C 148 171.767 172.704 -0.937 2 1 1622 . 1 1 A 142 142 GLY CA C 148 43.649 45.301 -1.652 2 1 1623 . 1 1 A 142 142 GLY N N 148 106.996 107.492 -0.496 2 1 1624 . 1 1 A 143 143 ARG H H 149 8.214 8.366 -0.152 2 1 1625 . 1 1 A 143 143 ARG HA H 149 5.376 5.248 0.128 2 1 1632 . 1 1 A 143 143 ARG C C 149 174.981 174.298 0.683 2 1 1633 . 1 1 A 143 143 ARG CA C 149 54.235 54.160 0.075 2 1 1634 . 1 1 A 143 143 ARG CB C 149 32.988 33.745 -0.757 2 1 1637 . 1 1 A 143 143 ARG N N 149 117.762 118.703 -0.941 2 1 1638 . 1 1 A 144 144 ALA H H 150 9.030 8.669 0.361 2 1 1639 . 1 1 A 144 144 ALA HA H 150 4.730 4.986 -0.256 2 1 1643 . 1 1 A 144 144 ALA C C 150 175.012 175.720 -0.708 2 1 1644 . 1 1 A 144 144 ALA CA C 150 50.732 50.411 0.321 2 1 1645 . 1 1 A 144 144 ALA CB C 150 23.448 21.633 1.815 2 1 1646 . 1 1 A 144 144 ALA N N 150 126.630 122.954 3.676 2 1 1647 . 1 1 A 145 145 THR H H 151 8.560 8.539 0.021 2 1 1648 . 1 1 A 145 145 THR HA H 151 4.846 4.635 0.211 2 1 1653 . 1 1 A 145 145 THR C C 151 171.870 173.200 -1.330 2 1 1654 . 1 1 A 145 145 THR CA C 151 61.997 62.187 -0.190 2 1 1655 . 1 1 A 145 145 THR CB C 151 69.746 69.793 -0.047 2 1 1657 . 1 1 A 145 145 THR N N 151 117.942 118.190 -0.248 2 1 1658 . 1 1 A 146 146 TYR H H 152 10.008 8.812 1.196 2 1 1659 . 1 1 A 146 146 TYR HA H 152 4.580 5.148 -0.568 2 1 1666 . 1 1 A 146 146 TYR C C 152 174.627 174.617 0.010 2 1 1667 . 1 1 A 146 146 TYR CA C 152 55.835 56.519 -0.684 2 1 1668 . 1 1 A 146 146 TYR CB C 152 40.094 42.995 -2.901 2 1 1669 . 1 1 A 146 146 TYR N N 152 126.097 124.327 1.770 2 1 1670 . 1 1 A 147 147 ARG H H 153 8.860 8.855 0.005 2 1 1671 . 1 1 A 147 147 ARG HA H 153 5.404 5.174 0.230 2 1 1678 . 1 1 A 147 147 ARG C C 153 177.446 175.285 2.161 2 1 1679 . 1 1 A 147 147 ARG CA C 153 54.024 54.786 -0.762 2 1 1680 . 1 1 A 147 147 ARG CB C 153 33.539 33.587 -0.048 2 1 1683 . 1 1 A 147 147 ARG N N 153 121.042 122.773 -1.731 2 1 1684 . 1 1 A 148 148 GLY H H 154 8.916 8.704 0.212 2 1 1685 . 1 1 A 148 148 GLY HA2 H 154 4.816 4.284 0.532 2 1 1686 . 1 1 A 148 148 GLY HA3 H 154 4.422 4.313 0.109 2 1 1687 . 1 1 A 148 148 GLY C C 154 173.831 171.908 1.923 2 1 1688 . 1 1 A 148 148 GLY CA C 154 46.752 44.945 1.807 2 1 1689 . 1 1 A 148 148 GLY N N 154 114.154 111.884 2.270 2 1 1690 . 1 1 A 149 149 THR H H 155 9.063 8.879 0.184 2 1 1691 . 1 1 A 149 149 THR HA H 155 4.711 5.029 -0.318 2 1 1696 . 1 1 A 149 149 THR C C 155 170.370 173.848 -3.478 2 1 1697 . 1 1 A 149 149 THR CA C 155 62.316 61.980 0.336 2 1 1698 . 1 1 A 149 149 THR CB C 155 72.596 70.821 1.775 2 1 1700 . 1 1 A 149 149 THR N N 155 126.410 116.508 9.902 2 1 1701 . 1 1 A 150 150 ALA H H 156 7.091 9.014 -1.923 2 1 1702 . 1 1 A 150 150 ALA HA H 156 5.289 5.416 -0.127 2 1 1706 . 1 1 A 150 150 ALA C C 156 173.965 176.447 -2.482 2 1 1707 . 1 1 A 150 150 ALA CA C 156 48.843 50.319 -1.476 2 1 1708 . 1 1 A 150 150 ALA CB C 156 22.573 21.649 0.924 2 1 1709 . 1 1 A 150 150 ALA N N 156 127.540 128.639 -1.099 2 1 1710 . 1 1 A 151 151 PHE H H 157 8.536 8.294 0.242 2 1 1711 . 1 1 A 151 151 PHE HA H 157 5.442 5.629 -0.187 2 1 1718 . 1 1 A 151 151 PHE C C 157 171.891 173.818 -1.927 2 1 1719 . 1 1 A 151 151 PHE CA C 157 53.282 55.418 -2.136 2 1 1720 . 1 1 A 151 151 PHE CB C 157 41.020 41.863 -0.843 2 1 1721 . 1 1 A 151 151 PHE N N 157 117.013 117.573 -0.560 2 1 1722 . 1 1 A 152 152 GLY H H 158 8.548 8.524 0.024 2 1 1723 . 1 1 A 152 152 GLY HA2 H 158 4.003 3.726 0.277 2 1 1724 . 1 1 A 152 152 GLY HA3 H 158 3.124 4.165 -1.041 2 1 1725 . 1 1 A 152 152 GLY C C 158 173.148 173.190 -0.042 2 1 1726 . 1 1 A 152 152 GLY CA C 158 42.630 45.049 -2.419 2 1 1727 . 1 1 A 152 152 GLY N N 158 108.356 107.895 0.461 2 1 1728 . 1 1 A 153 153 SER H H 159 7.610 8.301 -0.691 2 1 1729 . 1 1 A 153 153 SER HA H 159 3.421 4.228 -0.807 2 1 1732 . 1 1 A 153 153 SER C C 159 176.057 174.373 1.684 2 1 1733 . 1 1 A 153 153 SER CA C 159 58.787 58.500 0.287 2 1 1734 . 1 1 A 153 153 SER CB C 159 61.886 62.086 -0.200 2 1 1735 . 1 1 A 153 153 SER N N 159 115.173 115.057 0.116 2 1 1736 . 1 1 A 154 154 ASP H H 160 9.894 8.255 1.639 2 1 1737 . 1 1 A 154 154 ASP HA H 160 4.168 4.799 -0.631 2 1 1740 . 1 1 A 154 154 ASP C C 160 175.191 176.291 -1.100 2 1 1741 . 1 1 A 154 154 ASP CA C 160 55.398 55.104 0.294 2 1 1742 . 1 1 A 154 154 ASP CB C 160 39.212 42.386 -3.174 2 1 1743 . 1 1 A 154 154 ASP N N 160 124.828 121.565 3.263 2 1 1744 . 1 1 A 155 155 ASP H H 161 7.520 7.995 -0.475 2 1 1745 . 1 1 A 155 155 ASP HA H 161 4.568 4.824 -0.256 2 1 1748 . 1 1 A 155 155 ASP C C 161 172.658 176.260 -3.602 2 1 1749 . 1 1 A 155 155 ASP CA C 161 54.342 54.750 -0.408 2 1 1750 . 1 1 A 155 155 ASP CB C 161 40.619 42.397 -1.778 2 1 1751 . 1 1 A 155 155 ASP N N 161 116.749 118.350 -1.601 2 1 1752 . 1 1 A 156 156 ALA H H 162 8.544 8.008 0.536 2 1 1753 . 1 1 A 156 156 ALA HA H 162 4.916 4.188 0.728 2 1 1757 . 1 1 A 156 156 ALA C C 162 177.708 177.764 -0.056 2 1 1758 . 1 1 A 156 156 ALA CA C 162 49.878 53.569 -3.691 2 1 1759 . 1 1 A 156 156 ALA CB C 162 17.473 18.062 -0.589 2 1 1760 . 1 1 A 156 156 ALA N N 162 128.246 120.631 7.615 2 1 1761 . 1 1 A 157 157 GLY H H 163 8.406 8.427 -0.021 2 1 1762 . 1 1 A 157 157 GLY HA2 H 163 4.286 3.991 0.295 2 1 1763 . 1 1 A 157 157 GLY HA3 H 163 3.894 4.011 -0.117 2 1 1764 . 1 1 A 157 157 GLY C C 163 174.344 174.501 -0.157 2 1 1765 . 1 1 A 157 157 GLY CA C 163 45.049 45.692 -0.643 2 1 1766 . 1 1 A 157 157 GLY N N 163 106.545 105.324 1.221 2 1 1767 . 1 1 A 158 158 GLY H H 164 7.128 8.019 -0.891 2 1 1768 . 1 1 A 158 158 GLY HA2 H 164 4.118 4.020 0.098 2 1 1769 . 1 1 A 158 158 GLY HA3 H 164 3.641 4.050 -0.409 2 1 1770 . 1 1 A 158 158 GLY C C 164 173.903 173.113 0.790 2 1 1771 . 1 1 A 158 158 GLY CA C 164 45.225 45.448 -0.223 2 1 1772 . 1 1 A 158 158 GLY N N 164 106.404 107.674 -1.270 2 1 1773 . 1 1 A 159 159 LYS H H 165 9.647 8.291 1.356 2 1 1774 . 1 1 A 159 159 LYS HA H 165 5.052 4.776 0.276 2 1 1781 . 1 1 A 159 159 LYS C C 165 174.390 175.694 -1.304 2 1 1782 . 1 1 A 159 159 LYS CA C 165 53.501 55.155 -1.654 2 1 1783 . 1 1 A 159 159 LYS CB C 165 34.622 35.202 -0.580 2 1 1786 . 1 1 A 159 159 LYS N N 165 123.930 121.192 2.738 2 1 1787 . 1 1 A 160 160 LEU H H 166 7.706 8.686 -0.980 2 1 1788 . 1 1 A 160 160 LEU HA H 166 4.873 5.265 -0.392 2 1 1798 . 1 1 A 160 160 LEU C C 166 174.825 175.191 -0.366 2 1 1799 . 1 1 A 160 160 LEU CA C 166 52.677 53.063 -0.386 2 1 1800 . 1 1 A 160 160 LEU CB C 166 44.629 45.981 -1.352 2 1 1804 . 1 1 A 160 160 LEU N N 166 126.271 119.247 7.024 2 1 1805 . 1 1 A 161 161 THR H H 167 8.374 8.797 -0.423 2 1 1806 . 1 1 A 161 161 THR HA H 167 4.949 5.105 -0.156 2 1 1811 . 1 1 A 161 161 THR C C 167 172.102 173.211 -1.109 2 1 1812 . 1 1 A 161 161 THR CA C 167 61.761 61.858 -0.097 2 1 1813 . 1 1 A 161 161 THR CB C 167 70.169 70.599 -0.430 2 1 1815 . 1 1 A 161 161 THR N N 167 122.977 115.782 7.195 2 1 1816 . 1 1 A 162 162 TYR H H 168 9.174 9.075 0.099 2 1 1817 . 1 1 A 162 162 TYR HA H 168 4.766 5.399 -0.633 2 1 1824 . 1 1 A 162 162 TYR C C 168 172.249 174.436 -2.187 2 1 1825 . 1 1 A 162 162 TYR CA C 168 58.162 56.668 1.494 2 1 1826 . 1 1 A 162 162 TYR CB C 168 43.746 42.194 1.552 2 1 1827 . 1 1 A 162 162 TYR N N 168 128.112 126.615 1.497 2 1 1828 . 1 1 A 163 163 THR H H 169 8.711 8.428 0.283 2 1 1829 . 1 1 A 163 163 THR HA H 169 5.402 5.180 0.222 2 1 1834 . 1 1 A 163 163 THR C C 169 172.520 172.062 0.458 2 1 1835 . 1 1 A 163 163 THR CA C 169 60.804 60.378 0.426 2 1 1836 . 1 1 A 163 163 THR CB C 169 70.818 71.436 -0.618 2 1 1838 . 1 1 A 163 163 THR N N 169 124.549 118.748 5.801 2 1 1839 . 1 1 A 164 164 ILE H H 170 8.927 8.948 -0.021 2 1 1840 . 1 1 A 164 164 ILE HA H 170 4.313 4.945 -0.632 2 1 1850 . 1 1 A 164 164 ILE C C 170 173.105 173.705 -0.600 2 1 1851 . 1 1 A 164 164 ILE CA C 170 60.595 59.824 0.771 2 1 1852 . 1 1 A 164 164 ILE CB C 170 41.274 41.283 -0.009 2 1 1856 . 1 1 A 164 164 ILE N N 170 123.685 127.107 -3.422 2 1 1857 . 1 1 A 165 165 ASP H H 171 8.372 8.763 -0.391 2 1 1858 . 1 1 A 165 165 ASP HA H 171 4.750 4.850 -0.100 2 1 1861 . 1 1 A 165 165 ASP C C 171 177.213 176.248 0.965 2 1 1862 . 1 1 A 165 165 ASP CA C 171 51.669 53.665 -1.996 2 1 1863 . 1 1 A 165 165 ASP CB C 171 41.730 40.105 1.625 2 1 1864 . 1 1 A 165 165 ASP N N 171 125.168 129.132 -3.964 2 1 1865 . 1 1 A 166 166 PHE H H 172 8.968 8.332 0.636 2 1 1866 . 1 1 A 166 166 PHE HA H 172 3.879 4.247 -0.368 2 1 1874 . 1 1 A 166 166 PHE C C 172 176.940 177.878 -0.938 2 1 1875 . 1 1 A 166 166 PHE CA C 172 61.543 60.676 0.867 2 1 1876 . 1 1 A 166 166 PHE CB C 172 37.424 38.726 -1.302 2 1 1877 . 1 1 A 166 166 PHE N N 172 123.597 122.209 1.388 2 1 1878 . 1 1 A 167 167 ALA H H 173 8.266 8.054 0.212 2 1 1879 . 1 1 A 167 167 ALA HA H 173 4.322 4.261 0.061 2 1 1883 . 1 1 A 167 167 ALA C C 173 178.888 178.342 0.546 2 1 1884 . 1 1 A 167 167 ALA CA C 173 54.458 54.372 0.086 2 1 1885 . 1 1 A 167 167 ALA CB C 173 17.591 18.519 -0.928 2 1 1886 . 1 1 A 167 167 ALA N N 173 122.113 121.645 0.468 2 1 1887 . 1 1 A 168 168 ALA H H 174 7.405 7.778 -0.373 2 1 1888 . 1 1 A 168 168 ALA HA H 174 4.096 4.411 -0.315 2 1 1892 . 1 1 A 168 168 ALA C C 174 176.605 176.923 -0.318 2 1 1893 . 1 1 A 168 168 ALA CA C 174 51.225 51.505 -0.280 2 1 1894 . 1 1 A 168 168 ALA CB C 174 18.307 19.776 -1.469 2 1 1895 . 1 1 A 168 168 ALA N N 174 118.760 119.425 -0.665 2 1 1896 . 1 1 A 169 169 LYS H H 175 7.906 7.880 0.026 2 1 1897 . 1 1 A 169 169 LYS HA H 175 3.391 3.847 -0.456 2 1 1904 . 1 1 A 169 169 LYS C C 175 174.608 174.883 -0.275 2 1 1905 . 1 1 A 169 169 LYS CA C 175 57.049 57.404 -0.355 2 1 1906 . 1 1 A 169 169 LYS CB C 175 30.051 29.784 0.267 2 1 1909 . 1 1 A 169 169 LYS N N 175 114.394 115.694 -1.300 2 1 1910 . 1 1 A 170 170 GLN H H 176 7.629 7.336 0.293 2 1 1911 . 1 1 A 170 170 GLN HA H 176 5.414 4.886 0.528 2 1 1918 . 1 1 A 170 170 GLN C C 176 174.325 174.785 -0.460 2 1 1919 . 1 1 A 170 170 GLN CA C 176 54.393 54.466 -0.073 2 1 1920 . 1 1 A 170 170 GLN CB C 176 34.771 30.767 4.004 2 1 1922 . 1 1 A 170 170 GLN N N 176 116.433 117.477 -1.044 2 1 1924 . 1 1 A 171 171 GLY H H 177 8.854 9.156 -0.302 2 1 1925 . 1 1 A 171 171 GLY HA2 H 177 5.205 4.084 1.121 2 1 1926 . 1 1 A 171 171 GLY HA3 H 177 3.526 4.208 -0.682 2 1 1927 . 1 1 A 171 171 GLY C C 177 170.842 172.253 -1.411 2 1 1928 . 1 1 A 171 171 GLY CA C 177 44.621 45.097 -0.476 2 1 1929 . 1 1 A 171 171 GLY N N 177 110.189 112.174 -1.985 2 1 1930 . 1 1 A 172 172 ASN H H 178 7.637 8.717 -1.080 2 1 1931 . 1 1 A 172 172 ASN HA H 178 4.224 5.371 -1.147 2 1 1936 . 1 1 A 172 172 ASN C C 178 171.546 173.932 -2.386 2 1 1937 . 1 1 A 172 172 ASN CA C 178 53.729 51.228 2.501 2 1 1938 . 1 1 A 172 172 ASN CB C 178 41.543 41.724 -0.181 2 1 1939 . 1 1 A 172 172 ASN N N 178 112.667 122.200 -9.533 2 1 1941 . 1 1 A 173 173 GLY H H 179 9.103 8.343 0.760 2 1 1942 . 1 1 A 173 173 GLY HA2 H 179 4.491 4.174 0.317 2 1 1943 . 1 1 A 173 173 GLY HA3 H 179 4.084 4.304 -0.220 2 1 1944 . 1 1 A 173 173 GLY C C 179 172.400 171.746 0.654 2 1 1945 . 1 1 A 173 173 GLY CA C 179 47.199 45.897 1.302 2 1 1946 . 1 1 A 173 173 GLY N N 179 106.686 108.464 -1.778 2 1 1947 . 1 1 A 174 174 LYS H H 180 9.179 8.606 0.573 2 1 1948 . 1 1 A 174 174 LYS HA H 180 4.821 5.007 -0.186 2 1 1957 . 1 1 A 174 174 LYS C C 180 172.518 174.446 -1.928 2 1 1958 . 1 1 A 174 174 LYS CA C 180 56.617 55.129 1.488 2 1 1959 . 1 1 A 174 174 LYS CB C 180 35.373 35.812 -0.439 2 1 1963 . 1 1 A 174 174 LYS N N 180 121.816 116.499 5.317 2 1 1964 . 1 1 A 175 175 ILE H H 181 8.351 8.623 -0.272 2 1 1965 . 1 1 A 175 175 ILE HA H 181 4.581 4.732 -0.151 2 1 1973 . 1 1 A 175 175 ILE C C 181 173.997 175.507 -1.510 2 1 1974 . 1 1 A 175 175 ILE CA C 181 60.490 59.910 0.580 2 1 1975 . 1 1 A 175 175 ILE CB C 181 39.573 39.165 0.408 2 1 1978 . 1 1 A 175 175 ILE N N 181 123.400 123.101 0.299 2 1 1979 . 1 1 A 176 176 GLU H H 182 8.492 8.640 -0.148 2 1 1980 . 1 1 A 176 176 GLU HA H 182 4.471 4.764 -0.293 2 1 1985 . 1 1 A 176 176 GLU C C 182 175.392 175.699 -0.307 2 1 1986 . 1 1 A 176 176 GLU CA C 182 53.410 56.014 -2.604 2 1 1987 . 1 1 A 176 176 GLU CB C 182 35.479 32.018 3.461 2 1 1989 . 1 1 A 176 176 GLU N N 182 122.287 125.535 -3.248 2 1 1990 . 1 1 A 177 177 HIS H H 183 8.431 8.366 0.065 2 1 1991 . 1 1 A 177 177 HIS HA H 183 3.975 4.635 -0.660 2 1 1996 . 1 1 A 177 177 HIS C C 183 176.008 174.585 1.423 2 1 1997 . 1 1 A 177 177 HIS CA C 183 57.533 56.028 1.505 2 1 1998 . 1 1 A 177 177 HIS CB C 183 27.362 31.130 -3.768 2 1 1999 . 1 1 A 177 177 HIS N N 183 109.605 123.172 -13.567 2 1 2000 . 1 1 A 178 178 LEU H H 184 9.603 7.801 1.802 2 1 2001 . 1 1 A 178 178 LEU HA H 184 4.276 4.352 -0.076 2 1 2011 . 1 1 A 178 178 LEU C C 184 178.805 178.048 0.757 2 1 2012 . 1 1 A 178 178 LEU CA C 184 56.034 54.209 1.825 2 1 2013 . 1 1 A 178 178 LEU CB C 184 39.882 42.452 -2.570 2 1 2017 . 1 1 A 178 178 LEU N N 184 124.374 121.388 2.986 2 1 2018 . 1 1 A 179 179 LYS H H 185 10.002 8.779 1.223 2 1 2019 . 1 1 A 179 179 LYS HA H 185 3.682 4.055 -0.373 2 1 2028 . 1 1 A 179 179 LYS C C 185 177.660 176.433 1.227 2 1 2029 . 1 1 A 179 179 LYS CA C 185 57.721 58.848 -1.127 2 1 2030 . 1 1 A 179 179 LYS CB C 185 31.949 32.166 -0.217 2 1 2034 . 1 1 A 179 179 LYS N N 185 122.880 121.167 1.713 2 1 2035 . 1 1 A 180 180 SER H H 186 7.262 7.837 -0.575 2 1 2036 . 1 1 A 180 180 SER HA H 186 4.672 4.938 -0.266 2 1 2039 . 1 1 A 180 180 SER C C 186 173.086 173.859 -0.773 2 1 2040 . 1 1 A 180 180 SER CA C 186 54.576 55.454 -0.878 2 1 2041 . 1 1 A 180 180 SER CB C 186 62.715 65.289 -2.574 2 1 2042 . 1 1 A 180 180 SER N N 186 115.187 114.480 0.707 2 1 2043 . 1 1 A 181 181 PRO HA H 187 3.956 4.407 -0.451 2 1 2050 . 1 1 A 181 181 PRO CA C 187 65.359 65.069 0.290 2 1 2051 . 1 1 A 181 181 PRO CB C 187 32.061 31.935 0.126 2 1 2054 . 1 1 A 182 182 GLU H H 188 8.076 8.530 -0.454 2 1 2055 . 1 1 A 182 182 GLU HA H 188 3.011 4.173 -1.162 2 1 2060 . 1 1 A 182 182 GLU C C 188 173.944 177.912 -3.968 2 1 2061 . 1 1 A 182 182 GLU CA C 188 56.597 58.397 -1.800 2 1 2062 . 1 1 A 182 182 GLU CB C 188 29.581 29.174 0.407 2 1 2064 . 1 1 A 182 182 GLU N N 188 113.034 117.483 -4.449 2 1 2065 . 1 1 A 183 183 LEU H H 189 7.126 7.418 -0.292 2 1 2066 . 1 1 A 183 183 LEU HA H 189 3.970 4.303 -0.333 2 1 2076 . 1 1 A 183 183 LEU C C 189 175.597 176.972 -1.375 2 1 2077 . 1 1 A 183 183 LEU CA C 189 53.849 55.254 -1.405 2 1 2078 . 1 1 A 183 183 LEU CB C 189 41.152 42.441 -1.289 2 1 2082 . 1 1 A 183 183 LEU N N 189 112.896 118.728 -5.832 2 1 2083 . 1 1 A 184 184 ASN H H 190 6.952 7.759 -0.807 2 1 2084 . 1 1 A 184 184 ASN HA H 190 4.596 4.705 -0.109 2 1 2089 . 1 1 A 184 184 ASN C C 190 175.694 174.963 0.731 2 1 2090 . 1 1 A 184 184 ASN CA C 190 53.200 53.310 -0.110 2 1 2091 . 1 1 A 184 184 ASN CB C 190 36.466 39.179 -2.713 2 1 2092 . 1 1 A 184 184 ASN N N 190 117.865 117.454 0.411 2 1 2094 . 1 1 A 185 185 VAL H H 191 7.178 8.681 -1.503 2 1 2095 . 1 1 A 185 185 VAL HA H 191 4.480 4.778 -0.298 2 1 2103 . 1 1 A 185 185 VAL C C 191 174.874 174.934 -0.060 2 1 2104 . 1 1 A 185 185 VAL CA C 191 59.753 59.486 0.267 2 1 2105 . 1 1 A 185 185 VAL CB C 191 33.035 34.473 -1.438 2 1 2108 . 1 1 A 185 185 VAL N N 191 113.276 118.267 -4.991 2 1 2109 . 1 1 A 186 186 ASP H H 192 8.827 8.578 0.249 2 1 2110 . 1 1 A 186 186 ASP HA H 192 4.779 4.873 -0.094 2 1 2113 . 1 1 A 186 186 ASP C C 192 174.919 175.304 -0.385 2 1 2114 . 1 1 A 186 186 ASP CA C 192 54.058 54.331 -0.273 2 1 2115 . 1 1 A 186 186 ASP CB C 192 41.635 42.041 -0.406 2 1 2116 . 1 1 A 186 186 ASP N N 192 118.111 122.296 -4.185 2 1 2117 . 1 1 A 187 187 LEU H H 193 8.375 8.515 -0.140 2 1 2118 . 1 1 A 187 187 LEU HA H 193 4.146 4.961 -0.815 2 1 2127 . 1 1 A 187 187 LEU CA C 193 52.331 53.570 -1.239 2 1 2128 . 1 1 A 187 187 LEU CB C 193 38.187 44.556 -6.369 2 1 2131 . 1 1 A 187 187 LEU N N 193 123.130 124.239 -1.109 2 1 2132 . 1 1 A 188 188 ALA H H 194 8.225 8.621 -0.396 2 1 2133 . 1 1 A 188 188 ALA HA H 194 4.098 4.535 -0.437 2 1 2137 . 1 1 A 188 188 ALA C C 194 176.239 177.034 -0.795 2 1 2138 . 1 1 A 188 188 ALA CA C 194 52.498 51.838 0.660 2 1 2139 . 1 1 A 188 188 ALA CB C 194 20.030 19.193 0.837 2 1 2140 . 1 1 A 188 188 ALA N N 194 126.289 128.108 -1.819 2 1 2141 . 1 1 A 189 189 ALA H H 195 8.275 8.237 0.038 2 1 2142 . 1 1 A 189 189 ALA HA H 195 4.862 4.323 0.539 2 1 2146 . 1 1 A 189 189 ALA C C 195 178.131 177.891 0.240 2 1 2147 . 1 1 A 189 189 ALA CA C 195 51.822 53.184 -1.362 2 1 2148 . 1 1 A 189 189 ALA CB C 195 17.367 19.025 -1.658 2 1 2149 . 1 1 A 189 189 ALA N N 195 122.010 125.795 -3.785 2 1 2150 . 1 1 A 190 190 ALA H H 196 8.823 8.826 -0.003 2 1 2151 . 1 1 A 190 190 ALA HA H 196 4.634 5.108 -0.474 2 1 2155 . 1 1 A 190 190 ALA C C 196 175.141 175.822 -0.681 2 1 2156 . 1 1 A 190 190 ALA CA C 196 50.420 50.511 -0.091 2 1 2157 . 1 1 A 190 190 ALA CB C 196 23.461 23.166 0.295 2 1 2158 . 1 1 A 190 190 ALA N N 196 126.018 124.913 1.105 2 1 2159 . 1 1 A 191 191 ASP H H 197 8.365 8.722 -0.357 2 1 2160 . 1 1 A 191 191 ASP HA H 197 5.160 5.080 0.080 2 1 2163 . 1 1 A 191 191 ASP C C 197 176.028 175.820 0.208 2 1 2164 . 1 1 A 191 191 ASP CA C 197 54.034 52.464 1.570 2 1 2165 . 1 1 A 191 191 ASP CB C 197 41.691 42.564 -0.873 2 1 2166 . 1 1 A 191 191 ASP N N 197 118.646 119.605 -0.959 2 1 2167 . 1 1 A 192 192 ILE H H 198 7.915 8.297 -0.382 2 1 2168 . 1 1 A 192 192 ILE HA H 198 4.315 4.216 0.099 2 1 2178 . 1 1 A 192 192 ILE C C 198 174.684 175.800 -1.116 2 1 2179 . 1 1 A 192 192 ILE CA C 198 60.951 61.580 -0.629 2 1 2180 . 1 1 A 192 192 ILE CB C 198 41.989 38.139 3.850 2 1 2184 . 1 1 A 192 192 ILE N N 198 119.664 120.702 -1.038 2 1 2185 . 1 1 A 193 193 LYS H H 199 9.175 8.532 0.643 2 1 2186 . 1 1 A 193 193 LYS HA H 199 4.530 4.626 -0.096 2 1 2195 . 1 1 A 193 193 LYS C C 199 172.639 175.433 -2.794 2 1 2196 . 1 1 A 193 193 LYS CA C 199 53.361 53.495 -0.134 2 1 2197 . 1 1 A 193 193 LYS CB C 199 34.758 33.264 1.494 2 1 2201 . 1 1 A 193 193 LYS N N 199 127.122 126.174 0.948 2 1 2202 . 1 1 A 195 195 ASP H H 201 8.390 8.411 -0.021 2 1 2203 . 1 1 A 195 195 ASP HA H 201 4.550 4.783 -0.233 2 1 2206 . 1 1 A 195 195 ASP C C 201 179.300 175.987 3.313 2 1 2207 . 1 1 A 195 195 ASP CA C 201 51.354 54.393 -3.039 2 1 2208 . 1 1 A 195 195 ASP CB C 201 40.324 42.482 -2.158 2 1 2209 . 1 1 A 195 195 ASP N N 201 123.239 121.244 1.995 2 1 2210 . 1 1 A 196 196 GLY HA2 H 202 3.718 3.846 -0.128 2 1 2211 . 1 1 A 196 196 GLY HA3 H 202 3.437 3.980 -0.543 2 1 2212 . 1 1 A 196 196 GLY CA C 202 46.527 45.218 1.309 2 1 2213 . 1 1 A 197 197 LYS H H 203 7.740 8.500 -0.760 2 1 2214 . 1 1 A 197 197 LYS HA H 203 4.118 4.203 -0.085 2 1 2221 . 1 1 A 197 197 LYS C C 203 174.941 176.731 -1.790 2 1 2222 . 1 1 A 197 197 LYS CA C 203 55.054 57.860 -2.806 2 1 2223 . 1 1 A 197 197 LYS CB C 203 31.192 32.347 -1.155 2 1 2226 . 1 1 A 197 197 LYS N N 203 120.305 120.097 0.208 2 1 2227 . 1 1 A 198 198 ARG H H 204 8.059 7.882 0.177 2 1 2228 . 1 1 A 198 198 ARG HA H 204 3.441 4.538 -1.097 2 1 2235 . 1 1 A 198 198 ARG C C 204 175.152 175.372 -0.220 2 1 2236 . 1 1 A 198 198 ARG CA C 204 56.911 56.177 0.734 2 1 2237 . 1 1 A 198 198 ARG CB C 204 26.584 31.996 -5.412 2 1 2240 . 1 1 A 198 198 ARG N N 204 111.796 116.036 -4.240 2 1 2241 . 1 1 A 199 199 HIS H H 205 8.531 7.725 0.806 2 1 2242 . 1 1 A 199 199 HIS HA H 205 4.812 5.070 -0.258 2 1 2247 . 1 1 A 199 199 HIS C C 205 174.866 173.447 1.419 2 1 2248 . 1 1 A 199 199 HIS CA C 205 53.700 54.870 -1.170 2 1 2249 . 1 1 A 199 199 HIS CB C 205 27.838 31.761 -3.923 2 1 2250 . 1 1 A 199 199 HIS N N 205 120.255 116.448 3.807 2 1 2251 . 1 1 A 200 200 ALA H H 206 8.492 8.600 -0.108 2 1 2252 . 1 1 A 200 200 ALA HA H 206 4.615 4.852 -0.237 2 1 2256 . 1 1 A 200 200 ALA C C 206 175.840 175.821 0.019 2 1 2257 . 1 1 A 200 200 ALA CA C 206 52.247 50.817 1.430 2 1 2258 . 1 1 A 200 200 ALA CB C 206 19.838 21.786 -1.948 2 1 2259 . 1 1 A 200 200 ALA N N 206 123.237 123.007 0.230 2 1 2260 . 1 1 A 201 201 VAL H H 207 9.174 8.357 0.817 2 1 2261 . 1 1 A 201 201 VAL HA H 207 4.976 4.647 0.329 2 1 2269 . 1 1 A 201 201 VAL C C 207 173.390 174.657 -1.267 2 1 2270 . 1 1 A 201 201 VAL CA C 207 60.775 60.522 0.253 2 1 2271 . 1 1 A 201 201 VAL CB C 207 35.488 35.617 -0.129 2 1 2274 . 1 1 A 201 201 VAL N N 207 123.250 117.463 5.787 2 1 2275 . 1 1 A 202 202 ILE H H 208 8.887 8.549 0.338 2 1 2276 . 1 1 A 202 202 ILE HA H 208 4.312 4.832 -0.520 2 1 2286 . 1 1 A 202 202 ILE C C 208 174.670 174.763 -0.093 2 1 2287 . 1 1 A 202 202 ILE CA C 208 60.815 59.740 1.075 2 1 2288 . 1 1 A 202 202 ILE CB C 208 41.576 40.020 1.556 2 1 2292 . 1 1 A 202 202 ILE N N 208 122.699 126.144 -3.445 2 1 2293 . 1 1 A 203 203 SER H H 209 8.416 8.682 -0.266 2 1 2294 . 1 1 A 203 203 SER HA H 209 4.913 5.009 -0.096 2 1 2297 . 1 1 A 203 203 SER C C 209 172.984 173.061 -0.077 2 1 2298 . 1 1 A 203 203 SER CA C 209 55.676 56.781 -1.105 2 1 2299 . 1 1 A 203 203 SER CB C 209 64.355 65.102 -0.747 2 1 2300 . 1 1 A 203 203 SER N N 209 122.067 122.886 -0.819 2 1 2301 . 1 1 A 204 204 GLY H H 210 7.292 8.109 -0.817 2 1 2302 . 1 1 A 204 204 GLY HA2 H 210 4.432 4.143 0.289 2 1 2303 . 1 1 A 204 204 GLY HA3 H 210 3.352 4.286 -0.934 2 1 2304 . 1 1 A 204 204 GLY C C 210 172.482 172.537 -0.055 2 1 2305 . 1 1 A 204 204 GLY CA C 210 45.167 44.990 0.177 2 1 2306 . 1 1 A 204 204 GLY N N 210 110.488 112.994 -2.506 2 1 2307 . 1 1 A 205 205 SER H H 211 8.652 8.803 -0.151 2 1 2308 . 1 1 A 205 205 SER HA H 211 5.027 5.457 -0.430 2 1 2311 . 1 1 A 205 205 SER C C 211 172.852 173.394 -0.542 2 1 2312 . 1 1 A 205 205 SER CA C 211 58.806 57.246 1.560 2 1 2313 . 1 1 A 205 205 SER CB C 211 64.384 66.236 -1.852 2 1 2314 . 1 1 A 205 205 SER N N 211 116.497 116.304 0.193 2 1 2315 . 1 1 A 206 206 VAL H H 212 7.400 8.783 -1.383 2 1 2316 . 1 1 A 206 206 VAL HA H 212 5.032 4.632 0.400 2 1 2324 . 1 1 A 206 206 VAL C C 212 174.500 174.943 -0.443 2 1 2325 . 1 1 A 206 206 VAL CA C 212 58.764 61.246 -2.482 2 1 2326 . 1 1 A 206 206 VAL CB C 212 30.512 35.012 -4.500 2 1 2329 . 1 1 A 206 206 VAL N N 212 117.101 123.236 -6.135 2 1 2330 . 1 1 A 207 207 LEU H H 213 8.961 8.716 0.245 2 1 2331 . 1 1 A 207 207 LEU HA H 213 5.312 4.738 0.574 2 1 2341 . 1 1 A 207 207 LEU C C 213 175.520 175.408 0.112 2 1 2342 . 1 1 A 207 207 LEU CA C 213 52.630 54.274 -1.644 2 1 2343 . 1 1 A 207 207 LEU CB C 213 45.567 43.112 2.455 2 1 2347 . 1 1 A 207 207 LEU N N 213 124.185 128.729 -4.544 2 1 2348 . 1 1 A 208 208 TYR H H 214 8.836 8.825 0.011 2 1 2349 . 1 1 A 208 208 TYR HA H 214 4.766 4.792 -0.026 2 1 2356 . 1 1 A 208 208 TYR C C 214 175.964 175.096 0.868 2 1 2357 . 1 1 A 208 208 TYR CA C 214 56.943 57.819 -0.876 2 1 2358 . 1 1 A 208 208 TYR CB C 214 41.736 41.187 0.549 2 1 2359 . 1 1 A 208 208 TYR N N 214 120.202 123.133 -2.931 2 1 2360 . 1 1 A 209 209 ASN H H 215 9.292 9.283 0.009 2 1 2361 . 1 1 A 209 209 ASN HA H 215 4.001 4.348 -0.347 2 1 2366 . 1 1 A 209 209 ASN C C 215 174.336 174.354 -0.018 2 1 2367 . 1 1 A 209 209 ASN CA C 215 53.923 54.198 -0.275 2 1 2368 . 1 1 A 209 209 ASN CB C 215 36.468 37.118 -0.650 2 1 2369 . 1 1 A 209 209 ASN N N 215 129.805 125.608 4.197 2 1 2371 . 1 1 A 210 210 GLN H H 216 8.614 8.462 0.152 2 1 2372 . 1 1 A 210 210 GLN HA H 216 3.453 3.860 -0.407 2 1 2379 . 1 1 A 210 210 GLN C C 216 173.521 174.742 -1.221 2 1 2380 . 1 1 A 210 210 GLN CA C 216 57.881 57.214 0.667 2 1 2381 . 1 1 A 210 210 GLN CB C 216 26.089 26.579 -0.490 2 1 2383 . 1 1 A 210 210 GLN N N 216 106.396 109.975 -3.579 2 1 2385 . 1 1 A 211 211 ALA H H 217 7.657 7.588 0.069 2 1 2386 . 1 1 A 211 211 ALA HA H 217 4.608 4.546 0.062 2 1 2390 . 1 1 A 211 211 ALA C C 217 176.432 176.695 -0.263 2 1 2391 . 1 1 A 211 211 ALA CA C 217 50.786 51.389 -0.603 2 1 2392 . 1 1 A 211 211 ALA CB C 217 20.499 20.760 -0.261 2 1 2393 . 1 1 A 211 211 ALA N N 217 123.338 118.618 4.720 2 1 2394 . 1 1 A 212 212 GLU H H 218 8.712 8.591 0.121 2 1 2395 . 1 1 A 212 212 GLU HA H 218 4.525 4.343 0.182 2 1 2400 . 1 1 A 212 212 GLU C C 218 177.924 174.666 3.258 2 1 2401 . 1 1 A 212 212 GLU CA C 218 57.550 57.849 -0.299 2 1 2402 . 1 1 A 212 212 GLU CB C 218 28.811 29.882 -1.071 2 1 2404 . 1 1 A 212 212 GLU N N 218 122.631 117.418 5.213 2 1 2405 . 1 1 A 213 213 LYS H H 219 8.835 8.601 0.234 2 1 2406 . 1 1 A 213 213 LYS HA H 219 4.612 4.836 -0.224 2 1 2415 . 1 1 A 213 213 LYS C C 219 173.786 175.601 -1.815 2 1 2416 . 1 1 A 213 213 LYS CA C 219 53.115 55.375 -2.260 2 1 2417 . 1 1 A 213 213 LYS CB C 219 34.180 34.300 -0.120 2 1 2421 . 1 1 A 213 213 LYS N N 219 126.870 121.641 5.229 2 1 2422 . 1 1 A 214 214 GLY H H 220 7.929 9.111 -1.182 2 1 2423 . 1 1 A 214 214 GLY HA2 H 220 5.469 4.143 1.326 2 1 2424 . 1 1 A 214 214 GLY HA3 H 220 3.719 4.157 -0.438 2 1 2425 . 1 1 A 214 214 GLY C C 220 173.926 172.862 1.064 2 1 2426 . 1 1 A 214 214 GLY CA C 220 44.536 44.216 0.320 2 1 2427 . 1 1 A 214 214 GLY N N 220 107.019 113.212 -6.193 2 1 2428 . 1 1 A 215 215 SER H H 221 8.678 8.698 -0.020 2 1 2429 . 1 1 A 215 215 SER HA H 221 5.460 5.504 -0.044 2 1 2432 . 1 1 A 215 215 SER C C 221 171.043 172.956 -1.913 2 1 2433 . 1 1 A 215 215 SER CA C 221 56.810 57.102 -0.292 2 1 2434 . 1 1 A 215 215 SER CB C 221 66.671 66.350 0.321 2 1 2435 . 1 1 A 215 215 SER N N 221 117.334 114.083 3.251 2 1 2436 . 1 1 A 216 216 TYR H H 222 8.958 9.128 -0.170 2 1 2437 . 1 1 A 216 216 TYR HA H 222 5.389 5.693 -0.304 2 1 2445 . 1 1 A 216 216 TYR C C 222 172.789 173.248 -0.459 2 1 2446 . 1 1 A 216 216 TYR CA C 222 55.819 55.571 0.248 2 1 2447 . 1 1 A 216 216 TYR CB C 222 41.681 42.395 -0.714 2 1 2448 . 1 1 A 216 216 TYR N N 222 117.645 119.352 -1.707 2 1 2449 . 1 1 A 217 217 SER H H 223 8.837 9.081 -0.244 2 1 2450 . 1 1 A 217 217 SER HA H 223 5.165 5.210 -0.045 2 1 2453 . 1 1 A 217 217 SER C C 223 173.125 172.772 0.353 2 1 2454 . 1 1 A 217 217 SER CA C 223 56.600 56.900 -0.300 2 1 2455 . 1 1 A 217 217 SER CB C 223 64.500 65.539 -1.039 2 1 2456 . 1 1 A 217 217 SER N N 223 115.593 115.680 -0.087 2 1 2457 . 1 1 A 218 218 LEU H H 224 9.299 8.536 0.763 2 1 2458 . 1 1 A 218 218 LEU HA H 224 4.748 4.968 -0.220 2 1 2468 . 1 1 A 218 218 LEU C C 224 175.567 175.060 0.507 2 1 2469 . 1 1 A 218 218 LEU CA C 224 53.138 53.497 -0.359 2 1 2470 . 1 1 A 218 218 LEU CB C 224 46.255 45.366 0.889 2 1 2474 . 1 1 A 218 218 LEU N N 224 123.523 122.451 1.072 2 1 2475 . 1 1 A 219 219 GLY H H 225 9.041 8.431 0.610 2 1 2476 . 1 1 A 219 219 GLY HA2 H 225 4.620 4.015 0.605 2 1 2477 . 1 1 A 219 219 GLY HA3 H 225 3.413 4.158 -0.745 2 1 2478 . 1 1 A 219 219 GLY C C 225 171.514 171.675 -0.161 2 1 2479 . 1 1 A 219 219 GLY CA C 225 43.777 43.771 0.006 2 1 2480 . 1 1 A 219 219 GLY N N 225 108.999 106.727 2.272 2 1 2481 . 1 1 A 220 220 ILE H H 226 6.853 8.458 -1.605 2 1 2482 . 1 1 A 220 220 ILE HA H 226 4.615 4.531 0.084 2 1 2492 . 1 1 A 220 220 ILE C C 226 174.750 175.220 -0.470 2 1 2493 . 1 1 A 220 220 ILE CA C 226 60.421 60.650 -0.229 2 1 2494 . 1 1 A 220 220 ILE CB C 226 38.213 38.526 -0.313 2 1 2498 . 1 1 A 220 220 ILE N N 226 120.223 121.513 -1.290 2 1 2499 . 1 1 A 221 221 PHE H H 227 9.392 8.865 0.527 2 1 2500 . 1 1 A 221 221 PHE HA H 227 4.770 5.156 -0.386 2 1 2507 . 1 1 A 221 221 PHE C C 227 175.093 175.484 -0.391 2 1 2508 . 1 1 A 221 221 PHE CA C 227 58.053 56.550 1.503 2 1 2509 . 1 1 A 221 221 PHE CB C 227 42.505 42.250 0.255 2 1 2510 . 1 1 A 221 221 PHE N N 227 128.229 125.675 2.554 2 1 2511 . 1 1 A 222 222 GLY H H 228 8.675 8.732 -0.057 2 1 2512 . 1 1 A 222 222 GLY HA2 H 228 3.174 3.961 -0.787 2 1 2513 . 1 1 A 222 222 GLY HA3 H 228 4.311 4.045 0.266 2 1 2514 . 1 1 A 222 222 GLY CA C 228 42.438 44.779 -2.341 2 1 2515 . 1 1 A 222 222 GLY N N 228 104.634 110.745 -6.111 2 1 2516 . 1 1 A 223 223 GLY CA C 229 46.870 46.435 0.435 2 1 2517 . 1 1 A 224 224 LYS H H 230 8.366 7.753 0.613 2 1 2518 . 1 1 A 224 224 LYS HA H 230 4.305 4.611 -0.306 2 1 2523 . 1 1 A 224 224 LYS C C 230 174.717 175.802 -1.085 2 1 2524 . 1 1 A 224 224 LYS CA C 230 54.119 55.677 -1.558 2 1 2525 . 1 1 A 224 224 LYS CB C 230 30.821 33.367 -2.546 2 1 2527 . 1 1 A 224 224 LYS N N 230 118.720 118.217 0.503 2 1 2528 . 1 1 A 225 225 ALA H H 231 7.633 8.075 -0.442 2 1 2529 . 1 1 A 225 225 ALA HA H 231 3.810 4.379 -0.569 2 1 2533 . 1 1 A 225 225 ALA C C 231 176.702 177.502 -0.800 2 1 2534 . 1 1 A 225 225 ALA CA C 231 51.868 52.719 -0.851 2 1 2535 . 1 1 A 225 225 ALA CB C 231 16.117 18.149 -2.032 2 1 2536 . 1 1 A 225 225 ALA N N 231 118.077 120.421 -2.344 2 1 2537 . 1 1 A 226 226 GLN H H 232 9.387 8.117 1.270 2 1 2538 . 1 1 A 226 226 GLN HA H 232 3.877 4.374 -0.497 2 1 2543 . 1 1 A 226 226 GLN C C 232 175.992 175.920 0.072 2 1 2544 . 1 1 A 226 226 GLN CA C 232 60.989 57.785 3.204 2 1 2545 . 1 1 A 226 226 GLN CB C 232 28.695 30.005 -1.310 2 1 2547 . 1 1 A 226 226 GLN N N 232 117.991 118.517 -0.526 2 1 2548 . 1 1 A 227 227 GLU H H 233 8.825 7.626 1.199 2 1 2549 . 1 1 A 227 227 GLU HA H 233 5.411 4.702 0.709 2 1 2554 . 1 1 A 227 227 GLU C C 233 174.939 173.837 1.102 2 1 2555 . 1 1 A 227 227 GLU CA C 233 54.289 55.465 -1.176 2 1 2556 . 1 1 A 227 227 GLU CB C 233 33.797 32.313 1.484 2 1 2558 . 1 1 A 227 227 GLU N N 233 116.638 114.913 1.725 2 1 2559 . 1 1 A 228 228 VAL H H 234 8.343 8.566 -0.223 2 1 2560 . 1 1 A 228 228 VAL HA H 234 5.544 4.954 0.590 2 1 2568 . 1 1 A 228 228 VAL C C 234 174.839 174.294 0.545 2 1 2569 . 1 1 A 228 228 VAL CA C 234 57.867 59.936 -2.069 2 1 2570 . 1 1 A 228 228 VAL CB C 234 35.379 35.309 0.070 2 1 2573 . 1 1 A 228 228 VAL N N 234 109.304 116.277 -6.973 2 1 2574 . 1 1 A 229 229 ALA H H 235 8.475 8.420 0.055 2 1 2575 . 1 1 A 229 229 ALA HA H 235 4.937 4.978 -0.041 2 1 2579 . 1 1 A 229 229 ALA C C 235 176.417 175.903 0.514 2 1 2580 . 1 1 A 229 229 ALA CA C 235 51.303 51.163 0.140 2 1 2581 . 1 1 A 229 229 ALA CB C 235 20.301 23.168 -2.867 2 1 2582 . 1 1 A 229 229 ALA N N 235 120.653 124.152 -3.499 2 1 2583 . 1 1 A 230 230 GLY H H 236 9.361 8.088 1.273 2 1 2584 . 1 1 A 230 230 GLY HA2 H 236 5.075 4.237 0.838 2 1 2585 . 1 1 A 230 230 GLY HA3 H 236 4.017 4.269 -0.252 2 1 2586 . 1 1 A 230 230 GLY C C 236 170.130 171.819 -1.689 2 1 2587 . 1 1 A 230 230 GLY CA C 236 46.221 45.928 0.293 2 1 2588 . 1 1 A 230 230 GLY N N 236 111.104 106.225 4.879 2 1 2589 . 1 1 A 231 231 SER H H 237 8.889 8.797 0.092 2 1 2590 . 1 1 A 231 231 SER HA H 237 5.276 5.298 -0.022 2 1 2593 . 1 1 A 231 231 SER C C 237 171.360 172.836 -1.476 2 1 2594 . 1 1 A 231 231 SER CA C 237 56.498 57.366 -0.868 2 1 2595 . 1 1 A 231 231 SER CB C 237 66.398 66.145 0.253 2 1 2596 . 1 1 A 231 231 SER N N 237 115.308 115.850 -0.542 2 1 2597 . 1 1 A 232 232 ALA H H 238 9.083 8.931 0.152 2 1 2598 . 1 1 A 232 232 ALA HA H 238 5.148 5.408 -0.260 2 1 2602 . 1 1 A 232 232 ALA C C 238 174.537 175.429 -0.892 2 1 2603 . 1 1 A 232 232 ALA CA C 238 49.904 50.607 -0.703 2 1 2604 . 1 1 A 232 232 ALA CB C 238 21.729 22.923 -1.194 2 1 2605 . 1 1 A 232 232 ALA N N 238 119.911 123.831 -3.920 2 1 2606 . 1 1 A 233 233 GLU H H 239 9.015 9.069 -0.054 2 1 2607 . 1 1 A 233 233 GLU HA H 239 4.631 5.061 -0.430 2 1 2612 . 1 1 A 233 233 GLU C C 239 174.122 174.595 -0.473 2 1 2613 . 1 1 A 233 233 GLU CA C 239 54.786 54.634 0.152 2 1 2614 . 1 1 A 233 233 GLU CB C 239 31.355 32.915 -1.560 2 1 2616 . 1 1 A 233 233 GLU N N 239 122.744 121.538 1.206 2 1 2617 . 1 1 A 234 234 VAL H H 240 8.792 8.880 -0.088 2 1 2618 . 1 1 A 234 234 VAL HA H 240 4.394 4.761 -0.367 2 1 2623 . 1 1 A 234 234 VAL C C 240 174.833 174.053 0.780 2 1 2624 . 1 1 A 234 234 VAL CA C 240 61.427 59.534 1.893 2 1 2625 . 1 1 A 234 234 VAL CB C 240 33.863 34.951 -1.088 2 1 2627 . 1 1 A 234 234 VAL N N 240 124.203 122.231 1.972 2 1 2628 . 1 1 A 235 235 LYS H H 241 8.841 8.460 0.381 2 1 2629 . 1 1 A 235 235 LYS HA H 241 3.981 4.722 -0.741 2 1 2638 . 1 1 A 235 235 LYS C C 241 174.548 175.529 -0.981 2 1 2639 . 1 1 A 235 235 LYS CA C 241 55.955 55.472 0.483 2 1 2640 . 1 1 A 235 235 LYS CB C 241 32.100 33.313 -1.213 2 1 2644 . 1 1 A 235 235 LYS N N 241 127.554 126.844 0.710 2 1 2645 . 1 1 A 236 236 THR H H 242 7.212 8.490 -1.278 2 1 2646 . 1 1 A 236 236 THR HA H 242 4.355 4.813 -0.458 2 1 2651 . 1 1 A 236 236 THR C C 242 176.482 175.437 1.045 2 1 2652 . 1 1 A 236 236 THR CA C 242 61.054 60.548 0.506 2 1 2653 . 1 1 A 236 236 THR CB C 242 72.642 71.518 1.124 2 1 2655 . 1 1 A 236 236 THR N N 242 114.463 116.479 -2.016 2 1 2656 . 1 1 A 237 237 VAL H H 243 9.582 8.845 0.737 2 1 2657 . 1 1 A 237 237 VAL HA H 243 3.849 3.832 0.017 2 1 2665 . 1 1 A 237 237 VAL C C 243 176.201 177.125 -0.924 2 1 2666 . 1 1 A 237 237 VAL CA C 243 64.701 65.440 -0.739 2 1 2667 . 1 1 A 237 237 VAL CB C 243 31.028 31.599 -0.571 2 1 2669 . 1 1 A 237 237 VAL N N 243 120.670 123.268 -2.598 2 1 2670 . 1 1 A 238 238 ASN H H 244 7.572 7.836 -0.264 2 1 2671 . 1 1 A 238 238 ASN HA H 244 4.882 4.763 0.119 2 1 2676 . 1 1 A 238 238 ASN C C 244 173.835 175.644 -1.809 2 1 2677 . 1 1 A 238 238 ASN CA C 244 52.022 53.201 -1.179 2 1 2678 . 1 1 A 238 238 ASN CB C 244 39.176 38.962 0.214 2 1 2679 . 1 1 A 238 238 ASN N N 244 115.638 117.841 -2.203 2 1 2681 . 1 1 A 239 239 GLY H H 245 7.362 8.141 -0.779 2 1 2682 . 1 1 A 239 239 GLY HA2 H 245 4.539 4.064 0.475 2 1 2683 . 1 1 A 239 239 GLY HA3 H 245 3.728 4.073 -0.345 2 1 2684 . 1 1 A 239 239 GLY C C 245 174.343 173.015 1.328 2 1 2685 . 1 1 A 239 239 GLY CA C 245 43.316 44.816 -1.500 2 1 2686 . 1 1 A 239 239 GLY N N 245 107.650 106.209 1.441 2 1 2687 . 1 1 A 240 240 ILE H H 246 8.672 8.243 0.429 2 1 2688 . 1 1 A 240 240 ILE HA H 246 4.351 4.666 -0.315 2 1 2698 . 1 1 A 240 240 ILE C C 246 176.899 174.267 2.632 2 1 2699 . 1 1 A 240 240 ILE CA C 246 61.120 60.334 0.786 2 1 2700 . 1 1 A 240 240 ILE CB C 246 36.906 39.998 -3.092 2 1 2704 . 1 1 A 240 240 ILE N N 246 122.673 122.110 0.563 2 1 2705 . 1 1 A 241 241 ARG H H 247 9.233 8.827 0.406 2 1 2706 . 1 1 A 241 241 ARG HA H 247 4.370 5.091 -0.721 2 1 2713 . 1 1 A 241 241 ARG C C 247 173.925 174.831 -0.906 2 1 2714 . 1 1 A 241 241 ARG CA C 247 53.461 54.389 -0.928 2 1 2715 . 1 1 A 241 241 ARG CB C 247 31.910 33.753 -1.843 2 1 2718 . 1 1 A 241 241 ARG N N 247 128.497 127.663 0.834 2 1 2719 . 1 1 A 242 242 HIS H H 248 8.519 8.900 -0.381 2 1 2720 . 1 1 A 242 242 HIS HA H 248 5.323 5.259 0.064 2 1 2725 . 1 1 A 242 242 HIS C C 248 174.635 174.886 -0.251 2 1 2726 . 1 1 A 242 242 HIS CA C 248 55.759 54.870 0.889 2 1 2727 . 1 1 A 242 242 HIS CB C 248 32.921 32.537 0.384 2 1 2728 . 1 1 A 242 242 HIS N N 248 121.131 120.781 0.350 2 1 2729 . 1 1 A 243 243 ILE H H 249 8.723 9.088 -0.365 2 1 2730 . 1 1 A 243 243 ILE HA H 249 4.522 4.698 -0.176 2 1 2740 . 1 1 A 243 243 ILE C C 249 176.188 175.458 0.730 2 1 2741 . 1 1 A 243 243 ILE CA C 249 58.524 59.788 -1.264 2 1 2742 . 1 1 A 243 243 ILE CB C 249 41.977 42.188 -0.211 2 1 2746 . 1 1 A 243 243 ILE N N 249 119.438 122.323 -2.885 2 1 2747 . 1 1 A 244 244 GLY H H 250 9.351 8.679 0.672 2 1 2748 . 1 1 A 244 244 GLY HA2 H 250 3.707 2.999 0.708 2 1 2749 . 1 1 A 244 244 GLY HA3 H 250 2.119 3.857 -1.738 2 1 2750 . 1 1 A 244 244 GLY C C 250 170.981 172.020 -1.039 2 1 2751 . 1 1 A 244 244 GLY CA C 250 44.178 44.156 0.022 2 1 2752 . 1 1 A 244 244 GLY N N 250 113.700 114.153 -0.453 2 1 2753 . 1 1 A 245 245 LEU H H 251 7.833 8.383 -0.550 2 1 2754 . 1 1 A 245 245 LEU HA H 251 4.717 4.994 -0.277 2 1 2764 . 1 1 A 245 245 LEU C C 251 174.501 175.961 -1.460 2 1 2765 . 1 1 A 245 245 LEU CA C 251 52.508 53.584 -1.076 2 1 2766 . 1 1 A 245 245 LEU CB C 251 46.764 43.819 2.945 2 1 2770 . 1 1 A 245 245 LEU N N 251 120.798 124.198 -3.400 2 1 2771 . 1 1 A 246 246 ALA H H 252 7.906 8.663 -0.757 2 1 2772 . 1 1 A 246 246 ALA HA H 252 4.589 4.846 -0.257 2 1 2776 . 1 1 A 246 246 ALA C C 252 173.363 175.685 -2.322 2 1 2777 . 1 1 A 246 246 ALA CA C 252 51.546 51.525 0.021 2 1 2778 . 1 1 A 246 246 ALA CB C 252 21.524 20.313 1.211 2 1 2779 . 1 1 A 246 246 ALA N N 252 122.885 124.529 -1.644 2 1 2780 . 1 1 A 247 247 ALA H H 253 9.041 8.549 0.492 2 1 2781 . 1 1 A 247 247 ALA HA H 253 4.726 5.269 -0.543 2 1 2785 . 1 1 A 247 247 ALA C C 253 174.897 175.511 -0.614 2 1 2786 . 1 1 A 247 247 ALA CA C 253 51.723 50.829 0.894 2 1 2787 . 1 1 A 247 247 ALA CB C 253 22.967 22.587 0.380 2 1 2788 . 1 1 A 247 247 ALA N N 253 122.967 124.784 -1.817 2 1 2789 . 1 1 A 248 248 LYS H H 254 8.171 8.792 -0.621 2 1 2790 . 1 1 A 248 248 LYS HA H 254 5.731 4.989 0.742 2 1 2797 . 1 1 A 248 248 LYS C C 254 175.094 175.297 -0.203 2 1 2798 . 1 1 A 248 248 LYS CA C 254 53.866 54.663 -0.797 2 1 2799 . 1 1 A 248 248 LYS CB C 254 36.312 36.116 0.196 2 1 2802 . 1 1 A 248 248 LYS N N 254 115.734 121.079 -5.345 2 stop_ save_