data_16064_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16064 _Entry.PDB_ID 2KC7 _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 20 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 1 . 1 1 1 A 2 2 ASP HA H 2 4.708 4.618 0.090 1 1 4 . 1 1 1 A 2 2 ASP C C 2 176.847 176.682 0.165 1 1 5 . 1 1 1 A 2 2 ASP CA C 2 53.800 53.273 0.527 1 1 6 . 1 1 1 A 2 2 ASP CB C 2 40.922 39.994 0.928 1 1 7 . 1 1 1 A 3 3 GLN H H 3 9.117 8.365 0.752 1 1 8 . 1 1 1 A 3 3 GLN HA H 3 4.139 4.026 0.113 1 1 15 . 1 1 1 A 3 3 GLN C C 3 177.725 177.952 -0.227 1 1 16 . 1 1 1 A 3 3 GLN CA C 3 58.612 58.338 0.274 1 1 17 . 1 1 1 A 3 3 GLN CB C 3 28.880 27.705 1.175 1 1 19 . 1 1 1 A 3 3 GLN N N 3 124.129 124.427 -0.298 1 1 21 . 1 1 1 A 4 4 LEU H H 4 8.285 7.999 0.286 1 1 22 . 1 1 1 A 4 4 LEU HA H 4 3.947 3.830 0.117 1 1 32 . 1 1 1 A 4 4 LEU C C 4 178.111 179.009 -0.898 1 1 33 . 1 1 1 A 4 4 LEU CA C 4 56.421 57.683 -1.262 1 1 34 . 1 1 1 A 4 4 LEU CB C 4 40.690 40.541 0.149 1 1 38 . 1 1 1 A 4 4 LEU N N 4 117.977 121.500 -3.523 1 1 39 . 1 1 1 A 5 5 LYS H H 5 7.624 8.085 -0.461 1 1 40 . 1 1 1 A 5 5 LYS HA H 5 3.837 3.956 -0.119 1 1 49 . 1 1 1 A 5 5 LYS C C 5 178.775 178.793 -0.018 1 1 50 . 1 1 1 A 5 5 LYS CA C 5 59.939 59.721 0.218 1 1 51 . 1 1 1 A 5 5 LYS CB C 5 32.344 32.198 0.146 1 1 55 . 1 1 1 A 5 5 LYS N N 5 121.000 120.691 0.309 1 1 56 . 1 1 1 A 6 6 THR H H 6 7.852 7.706 0.146 1 1 57 . 1 1 1 A 6 6 THR HA H 6 3.908 4.126 -0.218 1 1 62 . 1 1 1 A 6 6 THR C C 6 176.483 176.766 -0.283 1 1 63 . 1 1 1 A 6 6 THR CA C 6 66.062 66.945 -0.883 1 1 64 . 1 1 1 A 6 6 THR CB C 6 68.255 68.281 -0.026 1 1 66 . 1 1 1 A 6 6 THR N N 6 115.606 116.107 -0.501 1 1 67 . 1 1 1 A 7 7 ILE H H 7 7.791 7.958 -0.167 1 1 68 . 1 1 1 A 7 7 ILE HA H 7 3.422 3.508 -0.086 1 1 78 . 1 1 1 A 7 7 ILE C C 7 177.219 177.464 -0.245 1 1 79 . 1 1 1 A 7 7 ILE CA C 7 65.799 65.541 0.258 1 1 80 . 1 1 1 A 7 7 ILE CB C 7 37.619 37.542 0.077 1 1 84 . 1 1 1 A 7 7 ILE N N 7 122.292 121.485 0.807 1 1 85 . 1 1 1 A 8 8 LYS H H 8 8.233 8.482 -0.249 1 1 86 . 1 1 1 A 8 8 LYS HA H 8 3.721 3.823 -0.102 1 1 95 . 1 1 1 A 8 8 LYS C C 8 179.054 179.853 -0.799 1 1 96 . 1 1 1 A 8 8 LYS CA C 8 60.378 60.177 0.201 1 1 97 . 1 1 1 A 8 8 LYS CB C 8 31.990 31.951 0.039 1 1 101 . 1 1 1 A 8 8 LYS N N 8 119.853 118.886 0.967 1 1 102 . 1 1 1 A 9 9 GLU H H 9 7.677 8.173 -0.496 1 1 103 . 1 1 1 A 9 9 GLU HA H 9 4.138 4.064 0.074 1 1 108 . 1 1 1 A 9 9 GLU C C 9 178.839 179.572 -0.733 1 1 109 . 1 1 1 A 9 9 GLU CA C 9 59.045 58.869 0.176 1 1 110 . 1 1 1 A 9 9 GLU CB C 9 28.877 29.673 -0.796 1 1 112 . 1 1 1 A 9 9 GLU N N 9 118.933 120.519 -1.586 1 1 113 . 1 1 1 A 10 10 LEU H H 10 7.996 8.271 -0.275 1 1 114 . 1 1 1 A 10 10 LEU HA H 10 4.027 4.003 0.024 1 1 124 . 1 1 1 A 10 10 LEU C C 10 179.717 179.071 0.646 1 1 125 . 1 1 1 A 10 10 LEU CA C 10 58.212 58.095 0.117 1 1 126 . 1 1 1 A 10 10 LEU CB C 10 41.994 41.740 0.254 1 1 130 . 1 1 1 A 10 10 LEU N N 10 120.361 120.952 -0.591 1 1 131 . 1 1 1 A 11 11 ILE H H 11 8.059 8.414 -0.355 1 1 132 . 1 1 1 A 11 11 ILE HA H 11 3.233 3.503 -0.270 1 1 142 . 1 1 1 A 11 11 ILE C C 11 179.525 178.459 1.066 1 1 143 . 1 1 1 A 11 11 ILE CA C 11 65.782 64.996 0.786 1 1 144 . 1 1 1 A 11 11 ILE CB C 11 37.620 37.610 0.010 1 1 148 . 1 1 1 A 11 11 ILE N N 11 118.455 119.742 -1.287 1 1 149 . 1 1 1 A 12 12 ASN H H 12 8.219 7.788 0.431 1 1 150 . 1 1 1 A 12 12 ASN HA H 12 4.355 4.473 -0.118 1 1 155 . 1 1 1 A 12 12 ASN C C 12 177.168 178.608 -1.440 1 1 156 . 1 1 1 A 12 12 ASN CA C 12 55.945 56.211 -0.266 1 1 157 . 1 1 1 A 12 12 ASN CB C 12 38.012 37.865 0.147 1 1 158 . 1 1 1 A 12 12 ASN N N 12 120.732 118.546 2.186 1 1 160 . 1 1 1 A 13 13 GLN H H 13 8.028 7.789 0.239 1 1 161 . 1 1 1 A 13 13 GLN HA H 13 4.295 4.229 0.066 1 1 168 . 1 1 1 A 13 13 GLN C C 13 176.418 176.203 0.215 1 1 169 . 1 1 1 A 13 13 GLN CA C 13 55.821 55.973 -0.152 1 1 170 . 1 1 1 A 13 13 GLN CB C 13 28.852 28.897 -0.045 1 1 172 . 1 1 1 A 13 13 GLN N N 13 116.080 116.006 0.074 1 1 174 . 1 1 1 A 14 14 GLY H H 14 7.853 7.755 0.098 1 1 175 . 1 1 1 A 14 14 GLY HA2 H 14 4.337 3.951 0.386 1 1 176 . 1 1 1 A 14 14 GLY HA3 H 14 3.511 3.961 -0.450 1 1 177 . 1 1 1 A 14 14 GLY C C 14 174.233 173.700 0.533 1 1 178 . 1 1 1 A 14 14 GLY CA C 14 45.063 45.103 -0.040 1 1 179 . 1 1 1 A 14 14 GLY N N 14 107.118 107.246 -0.128 1 1 180 . 1 1 1 A 15 15 ASP H H 15 8.325 8.124 0.201 1 1 181 . 1 1 1 A 15 15 ASP HA H 15 4.973 4.625 0.348 1 1 184 . 1 1 1 A 15 15 ASP C C 15 176.427 176.616 -0.189 1 1 185 . 1 1 1 A 15 15 ASP CA C 15 51.828 52.642 -0.814 1 1 186 . 1 1 1 A 15 15 ASP CB C 15 38.583 39.232 -0.649 1 1 187 . 1 1 1 A 15 15 ASP N N 15 125.524 120.836 4.688 1 1 188 . 1 1 1 A 16 16 ILE H H 16 7.615 7.814 -0.199 1 1 189 . 1 1 1 A 16 16 ILE HA H 16 3.353 3.624 -0.271 1 1 199 . 1 1 1 A 16 16 ILE C C 16 177.618 177.723 -0.105 1 1 200 . 1 1 1 A 16 16 ILE CA C 16 62.996 64.758 -1.762 1 1 201 . 1 1 1 A 16 16 ILE CB C 16 35.856 37.359 -1.503 1 1 205 . 1 1 1 A 16 16 ILE N N 16 119.875 124.949 -5.074 1 1 206 . 1 1 1 A 17 17 GLU H H 17 8.844 8.323 0.521 1 1 207 . 1 1 1 A 17 17 GLU HA H 17 3.887 3.865 0.022 1 1 212 . 1 1 1 A 17 17 GLU C C 17 179.739 179.731 0.008 1 1 213 . 1 1 1 A 17 17 GLU CA C 17 60.364 59.896 0.468 1 1 214 . 1 1 1 A 17 17 GLU CB C 17 28.670 29.278 -0.608 1 1 216 . 1 1 1 A 17 17 GLU N N 17 120.080 120.676 -0.596 1 1 217 . 1 1 1 A 18 18 ASN H H 18 7.768 7.855 -0.087 1 1 218 . 1 1 1 A 18 18 ASN HA H 18 4.535 4.463 0.072 1 1 223 . 1 1 1 A 18 18 ASN C C 18 178.197 178.000 0.197 1 1 224 . 1 1 1 A 18 18 ASN CA C 18 55.682 56.397 -0.715 1 1 225 . 1 1 1 A 18 18 ASN CB C 18 37.615 38.198 -0.583 1 1 226 . 1 1 1 A 18 18 ASN N N 18 116.056 118.583 -2.527 1 1 228 . 1 1 1 A 19 19 ALA H H 19 7.989 7.949 0.040 1 1 229 . 1 1 1 A 19 19 ALA HA H 19 3.870 4.040 -0.170 1 1 233 . 1 1 1 A 19 19 ALA C C 19 178.732 179.939 -1.207 1 1 234 . 1 1 1 A 19 19 ALA CA C 19 55.543 55.104 0.439 1 1 235 . 1 1 1 A 19 19 ALA CB C 19 18.362 18.567 -0.205 1 1 236 . 1 1 1 A 19 19 ALA N N 19 123.900 122.952 0.948 1 1 237 . 1 1 1 A 20 20 LEU H H 20 8.589 8.938 -0.349 1 1 238 . 1 1 1 A 20 20 LEU HA H 20 3.856 3.848 0.008 1 1 248 . 1 1 1 A 20 20 LEU C C 20 179.139 179.265 -0.126 1 1 249 . 1 1 1 A 20 20 LEU CA C 20 58.169 57.983 0.186 1 1 250 . 1 1 1 A 20 20 LEU CB C 20 41.569 41.403 0.166 1 1 254 . 1 1 1 A 20 20 LEU N N 20 117.052 117.866 -0.814 1 1 255 . 1 1 1 A 21 21 GLN H H 21 7.439 8.316 -0.877 1 1 256 . 1 1 1 A 21 21 GLN HA H 21 4.029 3.931 0.098 1 1 263 . 1 1 1 A 21 21 GLN C C 21 178.411 178.384 0.027 1 1 264 . 1 1 1 A 21 21 GLN CA C 21 58.730 58.863 -0.133 1 1 265 . 1 1 1 A 21 21 GLN CB C 21 28.002 28.744 -0.742 1 1 267 . 1 1 1 A 21 21 GLN N N 21 118.218 118.474 -0.256 1 1 269 . 1 1 1 A 22 22 ALA H H 22 7.848 7.830 0.018 1 1 270 . 1 1 1 A 22 22 ALA HA H 22 4.191 4.374 -0.183 1 1 274 . 1 1 1 A 22 22 ALA C C 22 181.475 180.217 1.258 1 1 275 . 1 1 1 A 22 22 ALA CA C 22 54.631 55.003 -0.372 1 1 276 . 1 1 1 A 22 22 ALA CB C 22 17.907 18.546 -0.639 1 1 277 . 1 1 1 A 22 22 ALA N N 22 121.474 121.756 -0.282 1 1 278 . 1 1 1 A 23 23 LEU H H 23 8.751 8.325 0.426 1 1 279 . 1 1 1 A 23 23 LEU HA H 23 3.906 3.935 -0.029 1 1 289 . 1 1 1 A 23 23 LEU C C 23 177.996 179.121 -1.125 1 1 290 . 1 1 1 A 23 23 LEU CA C 23 58.155 58.011 0.144 1 1 291 . 1 1 1 A 23 23 LEU CB C 23 42.020 41.196 0.824 1 1 295 . 1 1 1 A 23 23 LEU N N 23 122.246 120.401 1.845 1 1 296 . 1 1 1 A 24 24 GLU H H 24 8.247 8.572 -0.325 1 1 297 . 1 1 1 A 24 24 GLU HA H 24 3.971 3.920 0.051 1 1 302 . 1 1 1 A 24 24 GLU C C 24 179.751 179.805 -0.054 1 1 303 . 1 1 1 A 24 24 GLU CA C 24 59.506 60.129 -0.623 1 1 304 . 1 1 1 A 24 24 GLU CB C 24 28.849 29.341 -0.492 1 1 306 . 1 1 1 A 24 24 GLU N N 24 119.875 117.836 2.039 1 1 307 . 1 1 1 A 25 25 GLU H H 25 7.736 7.765 -0.029 1 1 308 . 1 1 1 A 25 25 GLU HA H 25 4.013 4.024 -0.011 1 1 313 . 1 1 1 A 25 25 GLU C C 25 179.204 179.274 -0.070 1 1 314 . 1 1 1 A 25 25 GLU CA C 25 59.058 59.288 -0.230 1 1 315 . 1 1 1 A 25 25 GLU CB C 25 29.238 29.392 -0.154 1 1 317 . 1 1 1 A 25 25 GLU N N 25 118.451 120.315 -1.864 1 1 318 . 1 1 1 A 26 26 PHE H H 26 8.389 8.462 -0.073 1 1 319 . 1 1 1 A 26 26 PHE HA H 26 4.218 4.068 0.150 1 1 327 . 1 1 1 A 26 26 PHE C C 26 178.732 177.277 1.455 1 1 328 . 1 1 1 A 26 26 PHE CA C 26 61.020 61.235 -0.215 1 1 329 . 1 1 1 A 26 26 PHE CB C 26 39.383 39.359 0.024 1 1 333 . 1 1 1 A 26 26 PHE N N 26 122.243 121.958 0.285 1 1 334 . 1 1 1 A 27 27 LEU H H 27 8.643 8.599 0.044 1 1 335 . 1 1 1 A 27 27 LEU HA H 27 3.666 3.838 -0.172 1 1 345 . 1 1 1 A 27 27 LEU C C 27 179.172 178.268 0.904 1 1 346 . 1 1 1 A 27 27 LEU CA C 27 57.728 57.727 0.001 1 1 347 . 1 1 1 A 27 27 LEU CB C 27 42.008 41.265 0.743 1 1 351 . 1 1 1 A 27 27 LEU N N 27 119.374 119.014 0.360 1 1 352 . 1 1 1 A 28 28 GLN H H 28 7.536 7.788 -0.252 1 1 353 . 1 1 1 A 28 28 GLN HA H 28 4.215 4.170 0.045 1 1 360 . 1 1 1 A 28 28 GLN C C 28 177.261 176.236 1.025 1 1 361 . 1 1 1 A 28 28 GLN CA C 28 57.287 57.316 -0.029 1 1 362 . 1 1 1 A 28 28 GLN CB C 28 28.832 28.962 -0.130 1 1 364 . 1 1 1 A 28 28 GLN N N 28 116.095 116.044 0.051 1 1 366 . 1 1 1 A 29 29 THR H H 29 7.480 7.811 -0.331 1 1 367 . 1 1 1 A 29 29 THR HA H 29 4.332 4.437 -0.105 1 1 372 . 1 1 1 A 29 29 THR C C 29 174.092 173.557 0.535 1 1 373 . 1 1 1 A 29 29 THR CA C 29 62.533 61.628 0.905 1 1 374 . 1 1 1 A 29 29 THR CB C 29 70.435 69.695 0.740 1 1 376 . 1 1 1 A 29 29 THR N N 29 108.609 113.710 -5.101 1 1 377 . 1 1 1 A 30 30 GLU H H 30 7.935 7.232 0.703 1 1 378 . 1 1 1 A 30 30 GLU HA H 30 4.221 4.575 -0.354 1 1 383 . 1 1 1 A 30 30 GLU CA C 30 54.719 52.229 2.490 1 1 384 . 1 1 1 A 30 30 GLU CB C 30 28.002 31.314 -3.312 1 1 386 . 1 1 1 A 30 30 GLU N N 30 119.400 121.754 -2.354 1 1 387 . 1 1 1 A 31 31 PRO HA H 31 4.430 4.332 0.098 1 1 394 . 1 1 1 A 31 31 PRO C C 31 177.447 177.654 -0.207 1 1 395 . 1 1 1 A 31 31 PRO CA C 31 62.992 65.039 -2.047 1 1 396 . 1 1 1 A 31 31 PRO CB C 31 32.354 31.794 0.560 1 1 399 . 1 1 1 A 32 32 VAL H H 32 7.989 7.660 0.329 1 1 400 . 1 1 1 A 32 32 VAL HA H 32 4.211 4.484 -0.273 1 1 408 . 1 1 1 A 32 32 VAL C C 32 176.778 177.517 -0.739 1 1 409 . 1 1 1 A 32 32 VAL CA C 32 62.755 62.849 -0.094 1 1 410 . 1 1 1 A 32 32 VAL CB C 32 32.697 34.356 -1.659 1 1 412 . 1 1 1 A 32 32 VAL N N 32 118.439 115.439 3.000 1 1 413 . 1 1 1 A 33 33 GLY H H 33 8.764 8.976 -0.212 1 1 414 . 1 1 1 A 33 33 GLY HA2 H 33 4.195 4.057 0.138 1 1 415 . 1 1 1 A 33 33 GLY HA3 H 33 4.195 4.121 0.074 1 1 416 . 1 1 1 A 33 33 GLY C C 33 176.287 175.320 0.967 1 1 417 . 1 1 1 A 33 33 GLY CA C 33 45.917 46.375 -0.458 1 1 418 . 1 1 1 A 33 33 GLY N N 33 111.588 108.623 2.965 1 1 419 . 1 1 1 A 34 34 LYS H H 34 8.296 7.882 0.414 1 1 420 . 1 1 1 A 34 34 LYS HA H 34 3.839 4.146 -0.307 1 1 429 . 1 1 1 A 34 34 LYS C C 34 177.040 179.182 -2.142 1 1 430 . 1 1 1 A 34 34 LYS CA C 34 59.883 59.457 0.426 1 1 431 . 1 1 1 A 34 34 LYS CB C 34 32.883 32.252 0.631 1 1 435 . 1 1 1 A 34 34 LYS N N 34 119.887 120.627 -0.740 1 1 436 . 1 1 1 A 35 35 ASP H H 35 9.065 8.379 0.686 1 1 437 . 1 1 1 A 35 35 ASP HA H 35 4.362 4.551 -0.189 1 1 440 . 1 1 1 A 35 35 ASP C C 35 177.018 178.805 -1.787 1 1 441 . 1 1 1 A 35 35 ASP CA C 35 57.636 57.245 0.391 1 1 442 . 1 1 1 A 35 35 ASP CB C 35 41.086 39.882 1.204 1 1 443 . 1 1 1 A 35 35 ASP N N 35 115.065 118.428 -3.363 1 1 444 . 1 1 1 A 36 36 GLU H H 36 7.474 8.242 -0.768 1 1 445 . 1 1 1 A 36 36 GLU HA H 36 4.275 4.126 0.149 1 1 450 . 1 1 1 A 36 36 GLU C C 36 178.261 178.642 -0.381 1 1 451 . 1 1 1 A 36 36 GLU CA C 36 59.046 59.403 -0.357 1 1 452 . 1 1 1 A 36 36 GLU CB C 36 29.283 29.193 0.090 1 1 454 . 1 1 1 A 36 36 GLU N N 36 121.291 120.395 0.896 1 1 455 . 1 1 1 A 37 37 ALA H H 37 7.674 7.816 -0.142 1 1 456 . 1 1 1 A 37 37 ALA HA H 37 3.887 4.056 -0.169 1 1 460 . 1 1 1 A 37 37 ALA C C 37 179.161 179.780 -0.619 1 1 461 . 1 1 1 A 37 37 ALA CA C 37 55.091 55.133 -0.042 1 1 462 . 1 1 1 A 37 37 ALA CB C 37 17.925 18.376 -0.451 1 1 463 . 1 1 1 A 37 37 ALA N N 37 120.365 122.139 -1.774 1 1 464 . 1 1 1 A 38 38 TYR H H 38 8.175 8.752 -0.577 1 1 465 . 1 1 1 A 38 38 TYR HA H 38 4.422 4.390 0.032 1 1 472 . 1 1 1 A 38 38 TYR C C 38 178.497 178.463 0.034 1 1 473 . 1 1 1 A 38 38 TYR CA C 38 62.662 60.720 1.942 1 1 474 . 1 1 1 A 38 38 TYR CB C 38 37.996 37.858 0.138 1 1 477 . 1 1 1 A 38 38 TYR N N 38 117.027 116.293 0.734 1 1 478 . 1 1 1 A 39 39 TYR H H 39 8.321 8.124 0.197 1 1 479 . 1 1 1 A 39 39 TYR HA H 39 4.413 4.439 -0.026 1 1 486 . 1 1 1 A 39 39 TYR C C 39 176.311 177.171 -0.860 1 1 487 . 1 1 1 A 39 39 TYR CA C 39 60.856 61.754 -0.898 1 1 488 . 1 1 1 A 39 39 TYR CB C 39 38.015 38.868 -0.853 1 1 491 . 1 1 1 A 39 39 TYR N N 39 120.527 120.963 -0.436 1 1 492 . 1 1 1 A 40 40 LEU H H 40 8.508 8.554 -0.046 1 1 493 . 1 1 1 A 40 40 LEU HA H 40 3.585 3.930 -0.345 1 1 503 . 1 1 1 A 40 40 LEU C C 40 178.857 179.056 -0.199 1 1 504 . 1 1 1 A 40 40 LEU CA C 40 57.723 57.776 -0.053 1 1 505 . 1 1 1 A 40 40 LEU CB C 40 41.543 41.561 -0.018 1 1 509 . 1 1 1 A 40 40 LEU N N 40 118.925 120.868 -1.943 1 1 510 . 1 1 1 A 41 41 MET H H 41 8.661 8.651 0.010 1 1 511 . 1 1 1 A 41 41 MET HA H 41 3.611 3.996 -0.385 1 1 519 . 1 1 1 A 41 41 MET C C 41 178.325 179.050 -0.725 1 1 520 . 1 1 1 A 41 41 MET CA C 41 59.498 59.139 0.359 1 1 521 . 1 1 1 A 41 41 MET CB C 41 32.806 32.688 0.118 1 1 524 . 1 1 1 A 41 41 MET N N 41 119.892 116.955 2.937 1 1 525 . 1 1 1 A 42 42 GLY H H 42 8.531 8.691 -0.160 1 1 526 . 1 1 1 A 42 42 GLY HA2 H 42 3.564 3.121 0.443 1 1 527 . 1 1 1 A 42 42 GLY HA3 H 42 3.164 3.714 -0.550 1 1 528 . 1 1 1 A 42 42 GLY C C 42 174.726 175.362 -0.636 1 1 529 . 1 1 1 A 42 42 GLY CA C 42 48.104 47.051 1.053 1 1 530 . 1 1 1 A 42 42 GLY N N 42 107.064 108.636 -1.572 1 1 531 . 1 1 1 A 43 43 ASN H H 43 8.260 8.292 -0.032 1 1 532 . 1 1 1 A 43 43 ASN HA H 43 4.334 4.760 -0.426 1 1 537 . 1 1 1 A 43 43 ASN C C 43 178.111 177.513 0.598 1 1 538 . 1 1 1 A 43 43 ASN CA C 43 54.966 56.401 -1.435 1 1 539 . 1 1 1 A 43 43 ASN CB C 43 36.326 38.945 -2.619 1 1 540 . 1 1 1 A 43 43 ASN N N 43 120.815 119.648 1.167 1 1 542 . 1 1 1 A 44 44 ALA H H 44 8.487 8.040 0.447 1 1 543 . 1 1 1 A 44 44 ALA HA H 44 3.788 3.964 -0.176 1 1 547 . 1 1 1 A 44 44 ALA C C 44 178.389 179.387 -0.998 1 1 548 . 1 1 1 A 44 44 ALA CA C 44 55.152 54.948 0.204 1 1 549 . 1 1 1 A 44 44 ALA CB C 44 16.897 18.029 -1.132 1 1 550 . 1 1 1 A 44 44 ALA N N 44 125.304 121.554 3.750 1 1 551 . 1 1 1 A 45 45 TYR H H 45 8.160 7.962 0.198 1 1 552 . 1 1 1 A 45 45 TYR HA H 45 4.168 4.267 -0.099 1 1 559 . 1 1 1 A 45 45 TYR C C 45 178.775 178.163 0.612 1 1 560 . 1 1 1 A 45 45 TYR CA C 45 62.995 61.574 1.421 1 1 561 . 1 1 1 A 45 45 TYR CB C 45 36.944 37.721 -0.777 1 1 564 . 1 1 1 A 45 45 TYR N N 45 115.156 115.924 -0.768 1 1 565 . 1 1 1 A 46 46 ARG H H 46 8.901 8.274 0.627 1 1 566 . 1 1 1 A 46 46 ARG HA H 46 3.677 3.732 -0.055 1 1 573 . 1 1 1 A 46 46 ARG C C 46 179.396 178.968 0.428 1 1 574 . 1 1 1 A 46 46 ARG CA C 46 59.924 59.019 0.905 1 1 575 . 1 1 1 A 46 46 ARG CB C 46 30.131 29.654 0.477 1 1 578 . 1 1 1 A 46 46 ARG N N 46 121.781 121.074 0.707 1 1 579 . 1 1 1 A 47 47 LYS H H 47 7.813 7.713 0.100 1 1 580 . 1 1 1 A 47 47 LYS HA H 47 4.058 4.090 -0.032 1 1 589 . 1 1 1 A 47 47 LYS C C 47 178.111 179.596 -1.485 1 1 590 . 1 1 1 A 47 47 LYS CA C 47 58.950 59.068 -0.118 1 1 591 . 1 1 1 A 47 47 LYS CB C 47 31.906 32.166 -0.260 1 1 595 . 1 1 1 A 47 47 LYS N N 47 120.818 118.798 2.020 1 1 596 . 1 1 1 A 48 48 LEU H H 48 7.312 7.352 -0.040 1 1 597 . 1 1 1 A 48 48 LEU HA H 48 4.228 3.999 0.229 1 1 607 . 1 1 1 A 48 48 LEU C C 48 177.254 176.767 0.487 1 1 608 . 1 1 1 A 48 48 LEU CA C 48 54.908 56.169 -1.261 1 1 609 . 1 1 1 A 48 48 LEU CB C 48 42.475 42.772 -0.297 1 1 613 . 1 1 1 A 48 48 LEU N N 48 116.553 117.746 -1.193 1 1 614 . 1 1 1 A 49 49 GLY H H 49 7.564 7.832 -0.268 1 1 615 . 1 1 1 A 49 49 GLY HA2 H 49 3.607 3.396 0.211 1 1 616 . 1 1 1 A 49 49 GLY HA3 H 49 2.316 3.787 -1.471 1 1 617 . 1 1 1 A 49 49 GLY C C 49 172.900 173.560 -0.660 1 1 618 . 1 1 1 A 49 49 GLY CA C 49 44.184 44.479 -0.295 1 1 619 . 1 1 1 A 49 49 GLY N N 49 107.326 105.475 1.851 1 1 620 . 1 1 1 A 50 50 ASP H H 50 7.670 7.352 0.318 1 1 621 . 1 1 1 A 50 50 ASP HA H 50 4.564 4.488 0.076 1 1 624 . 1 1 1 A 50 50 ASP C C 50 175.681 176.370 -0.689 1 1 625 . 1 1 1 A 50 50 ASP CA C 50 51.083 53.075 -1.992 1 1 626 . 1 1 1 A 50 50 ASP CB C 50 39.169 40.489 -1.320 1 1 627 . 1 1 1 A 50 50 ASP N N 50 120.356 120.135 0.221 1 1 628 . 1 1 1 A 51 51 TRP H H 51 6.939 8.027 -1.088 1 1 629 . 1 1 1 A 51 51 TRP HA H 51 4.314 4.409 -0.095 1 1 638 . 1 1 1 A 51 51 TRP C C 51 178.047 178.872 -0.825 1 1 639 . 1 1 1 A 51 51 TRP CA C 51 58.473 60.045 -1.572 1 1 640 . 1 1 1 A 51 51 TRP CB C 51 30.099 29.287 0.812 1 1 646 . 1 1 1 A 51 51 TRP N N 51 121.784 125.301 -3.517 1 1 648 . 1 1 1 A 52 52 GLN H H 52 8.677 8.347 0.330 1 1 649 . 1 1 1 A 52 52 GLN HA H 52 3.960 3.973 -0.013 1 1 656 . 1 1 1 A 52 52 GLN C C 52 178.454 178.471 -0.017 1 1 657 . 1 1 1 A 52 52 GLN CA C 52 58.925 58.725 0.200 1 1 658 . 1 1 1 A 52 52 GLN CB C 52 28.183 28.486 -0.303 1 1 660 . 1 1 1 A 52 52 GLN N N 52 117.018 120.587 -3.569 1 1 662 . 1 1 1 A 53 53 LYS H H 53 7.392 8.346 -0.954 1 1 663 . 1 1 1 A 53 53 LYS HA H 53 3.774 3.753 0.021 1 1 672 . 1 1 1 A 53 53 LYS C C 53 180.361 178.720 1.641 1 1 673 . 1 1 1 A 53 53 LYS CA C 53 59.764 58.803 0.961 1 1 674 . 1 1 1 A 53 53 LYS CB C 53 30.802 31.287 -0.485 1 1 678 . 1 1 1 A 53 53 LYS N N 53 117.913 118.578 -0.665 1 1 679 . 1 1 1 A 54 54 ALA H H 54 8.223 7.525 0.698 1 1 680 . 1 1 1 A 54 54 ALA HA H 54 4.012 3.878 0.134 1 1 684 . 1 1 1 A 54 54 ALA C C 54 177.635 179.817 -2.182 1 1 685 . 1 1 1 A 54 54 ALA CA C 54 55.792 54.985 0.807 1 1 686 . 1 1 1 A 54 54 ALA CB C 54 17.045 18.339 -1.294 1 1 687 . 1 1 1 A 54 54 ALA N N 54 123.665 121.916 1.749 1 1 688 . 1 1 1 A 55 55 LEU H H 55 8.425 8.730 -0.305 1 1 689 . 1 1 1 A 55 55 LEU HA H 55 4.010 4.041 -0.031 1 1 699 . 1 1 1 A 55 55 LEU C C 55 179.568 179.429 0.139 1 1 700 . 1 1 1 A 55 55 LEU CA C 55 58.611 58.266 0.345 1 1 701 . 1 1 1 A 55 55 LEU CB C 55 41.500 41.815 -0.315 1 1 705 . 1 1 1 A 55 55 LEU N N 55 116.583 118.511 -1.928 1 1 706 . 1 1 1 A 56 56 ASN H H 56 8.284 8.272 0.012 1 1 707 . 1 1 1 A 56 56 ASN HA H 56 4.360 4.498 -0.138 1 1 712 . 1 1 1 A 56 56 ASN C C 56 177.790 178.723 -0.933 1 1 713 . 1 1 1 A 56 56 ASN CA C 56 55.852 56.671 -0.819 1 1 714 . 1 1 1 A 56 56 ASN CB C 56 37.882 37.940 -0.058 1 1 715 . 1 1 1 A 56 56 ASN N N 56 117.763 117.548 0.215 1 1 717 . 1 1 1 A 57 57 ASN H H 57 7.600 7.667 -0.067 1 1 718 . 1 1 1 A 57 57 ASN HA H 57 4.425 4.471 -0.046 1 1 723 . 1 1 1 A 57 57 ASN C C 57 177.404 178.098 -0.694 1 1 724 . 1 1 1 A 57 57 ASN CA C 57 58.105 56.398 1.707 1 1 725 . 1 1 1 A 57 57 ASN CB C 57 38.931 38.316 0.615 1 1 726 . 1 1 1 A 57 57 ASN N N 57 118.927 117.637 1.290 1 1 728 . 1 1 1 A 58 58 TYR H H 58 8.838 8.367 0.471 1 1 729 . 1 1 1 A 58 58 TYR HA H 58 4.667 4.383 0.284 1 1 736 . 1 1 1 A 58 58 TYR C C 58 178.047 178.405 -0.358 1 1 737 . 1 1 1 A 58 58 TYR CA C 58 58.430 61.940 -3.510 1 1 738 . 1 1 1 A 58 58 TYR CB C 58 36.743 38.071 -1.328 1 1 741 . 1 1 1 A 58 58 TYR N N 58 118.473 119.164 -0.691 1 1 742 . 1 1 1 A 59 59 GLN H H 59 8.572 8.733 -0.161 1 1 743 . 1 1 1 A 59 59 GLN HA H 59 4.022 3.947 0.075 1 1 750 . 1 1 1 A 59 59 GLN C C 59 178.040 178.165 -0.125 1 1 751 . 1 1 1 A 59 59 GLN CA C 59 59.054 58.970 0.084 1 1 752 . 1 1 1 A 59 59 GLN CB C 59 27.126 28.661 -1.535 1 1 754 . 1 1 1 A 59 59 GLN N N 59 118.483 120.486 -2.003 1 1 756 . 1 1 1 A 60 60 SER H H 60 7.696 8.069 -0.373 1 1 757 . 1 1 1 A 60 60 SER HA H 60 3.931 3.986 -0.055 1 1 760 . 1 1 1 A 60 60 SER C C 60 175.926 176.161 -0.235 1 1 761 . 1 1 1 A 60 60 SER CA C 60 62.121 61.594 0.527 1 1 762 . 1 1 1 A 60 60 SER CB C 60 61.244 62.209 -0.965 1 1 763 . 1 1 1 A 60 60 SER N N 60 116.103 117.082 -0.979 1 1 764 . 1 1 1 A 61 61 ALA H H 61 7.739 7.657 0.082 1 1 765 . 1 1 1 A 61 61 ALA HA H 61 4.075 4.303 -0.228 1 1 769 . 1 1 1 A 61 61 ALA C C 61 178.686 179.961 -1.275 1 1 770 . 1 1 1 A 61 61 ALA CA C 61 56.019 55.157 0.862 1 1 771 . 1 1 1 A 61 61 ALA CB C 61 18.790 18.629 0.161 1 1 772 . 1 1 1 A 61 61 ALA N N 61 122.319 122.757 -0.438 1 1 773 . 1 1 1 A 62 62 ILE H H 62 7.991 8.165 -0.174 1 1 774 . 1 1 1 A 62 62 ILE HA H 62 3.857 3.655 0.202 1 1 784 . 1 1 1 A 62 62 ILE C C 62 178.131 177.870 0.261 1 1 785 . 1 1 1 A 62 62 ILE CA C 62 63.418 65.222 -1.804 1 1 786 . 1 1 1 A 62 62 ILE CB C 62 39.119 37.762 1.357 1 1 790 . 1 1 1 A 62 62 ILE N N 62 117.981 118.623 -0.642 1 1 791 . 1 1 1 A 63 63 GLU H H 63 7.988 8.337 -0.349 1 1 792 . 1 1 1 A 63 63 GLU HA H 63 3.902 4.033 -0.131 1 1 797 . 1 1 1 A 63 63 GLU C C 63 178.564 179.061 -0.497 1 1 798 . 1 1 1 A 63 63 GLU CA C 63 58.594 59.292 -0.698 1 1 799 . 1 1 1 A 63 63 GLU CB C 63 29.278 29.472 -0.194 1 1 801 . 1 1 1 A 63 63 GLU N N 63 118.190 119.696 -1.506 1 1 802 . 1 1 1 A 64 64 LEU H H 64 7.024 7.331 -0.307 1 1 803 . 1 1 1 A 64 64 LEU HA H 64 4.347 4.242 0.105 1 1 813 . 1 1 1 A 64 64 LEU C C 64 177.496 176.704 0.792 1 1 814 . 1 1 1 A 64 64 LEU CA C 64 55.810 57.025 -1.215 1 1 815 . 1 1 1 A 64 64 LEU CB C 64 43.746 42.788 0.958 1 1 819 . 1 1 1 A 64 64 LEU N N 64 116.109 119.409 -3.300 1 1 820 . 1 1 1 A 65 65 ASN H H 65 8.270 8.430 -0.160 1 1 821 . 1 1 1 A 65 65 ASN HA H 65 5.068 5.148 -0.080 1 1 826 . 1 1 1 A 65 65 ASN C C 65 172.512 173.816 -1.304 1 1 827 . 1 1 1 A 65 65 ASN CA C 65 49.457 49.727 -0.270 1 1 828 . 1 1 1 A 65 65 ASN CB C 65 38.936 39.869 -0.933 1 1 829 . 1 1 1 A 65 65 ASN N N 65 116.544 117.626 -1.082 1 1 831 . 1 1 1 A 66 66 PRO HA H 66 4.467 4.478 -0.011 1 1 838 . 1 1 1 A 66 66 PRO C C 66 176.054 177.123 -1.069 1 1 839 . 1 1 1 A 66 66 PRO CA C 66 63.894 64.013 -0.119 1 1 840 . 1 1 1 A 66 66 PRO CB C 66 31.935 31.684 0.251 1 1 843 . 1 1 1 A 67 67 ASP H H 67 7.326 8.328 -1.002 1 1 844 . 1 1 1 A 67 67 ASP HA H 67 4.863 4.786 0.077 1 1 847 . 1 1 1 A 67 67 ASP C C 67 175.647 175.690 -0.043 1 1 848 . 1 1 1 A 67 67 ASP CA C 67 53.273 54.619 -1.346 1 1 849 . 1 1 1 A 67 67 ASP CB C 67 41.453 40.945 0.508 1 1 850 . 1 1 1 A 67 67 ASP N N 67 114.579 117.374 -2.795 1 1 851 . 1 1 1 A 68 68 SER H H 68 7.670 7.426 0.244 1 1 852 . 1 1 1 A 68 68 SER HA H 68 4.315 4.603 -0.288 1 1 856 . 1 1 1 A 68 68 SER C C 68 175.108 174.638 0.470 1 1 857 . 1 1 1 A 68 68 SER CA C 68 56.422 56.690 -0.268 1 1 858 . 1 1 1 A 68 68 SER CB C 68 63.880 63.503 0.377 1 1 859 . 1 1 1 A 68 68 SER N N 68 115.624 114.046 1.578 1 1 860 . 1 1 1 A 69 69 PRO HA H 69 4.588 4.520 0.068 1 1 867 . 1 1 1 A 69 69 PRO C C 69 177.083 177.429 -0.346 1 1 868 . 1 1 1 A 69 69 PRO CA C 69 63.870 63.974 -0.104 1 1 869 . 1 1 1 A 69 69 PRO CB C 69 30.612 31.690 -1.078 1 1 872 . 1 1 1 A 70 70 ALA H H 70 8.442 8.287 0.155 1 1 873 . 1 1 1 A 70 70 ALA HA H 70 3.679 4.227 -0.548 1 1 877 . 1 1 1 A 70 70 ALA C C 70 177.667 180.090 -2.423 1 1 878 . 1 1 1 A 70 70 ALA CA C 70 54.025 54.543 -0.518 1 1 879 . 1 1 1 A 70 70 ALA CB C 70 20.741 18.820 1.921 1 1 880 . 1 1 1 A 70 70 ALA N N 70 121.749 121.672 0.077 1 1 881 . 1 1 1 A 71 71 LEU H H 71 7.956 7.623 0.333 1 1 882 . 1 1 1 A 71 71 LEU HA H 71 3.883 3.913 -0.030 1 1 892 . 1 1 1 A 71 71 LEU C C 71 179.241 179.306 -0.065 1 1 893 . 1 1 1 A 71 71 LEU CA C 71 58.602 58.190 0.412 1 1 894 . 1 1 1 A 71 71 LEU CB C 71 41.987 41.666 0.321 1 1 898 . 1 1 1 A 71 71 LEU N N 71 119.448 119.253 0.195 1 1 899 . 1 1 1 A 72 72 GLN H H 72 7.464 8.039 -0.575 1 1 900 . 1 1 1 A 72 72 GLN HA H 72 4.049 4.083 -0.034 1 1 907 . 1 1 1 A 72 72 GLN C C 72 178.432 178.247 0.185 1 1 908 . 1 1 1 A 72 72 GLN CA C 72 58.626 58.972 -0.346 1 1 909 . 1 1 1 A 72 72 GLN CB C 72 27.557 28.508 -0.951 1 1 911 . 1 1 1 A 72 72 GLN N N 72 117.976 117.847 0.129 1 1 913 . 1 1 1 A 73 73 ALA H H 73 7.296 7.974 -0.678 1 1 914 . 1 1 1 A 73 73 ALA HA H 73 4.017 3.919 0.098 1 1 918 . 1 1 1 A 73 73 ALA C C 73 178.775 179.216 -0.441 1 1 919 . 1 1 1 A 73 73 ALA CA C 73 54.688 54.930 -0.242 1 1 920 . 1 1 1 A 73 73 ALA CB C 73 17.473 17.654 -0.181 1 1 921 . 1 1 1 A 73 73 ALA N N 73 123.083 122.958 0.125 1 1 922 . 1 1 1 A 74 74 ARG H H 74 8.328 7.830 0.498 1 1 923 . 1 1 1 A 74 74 ARG HA H 74 3.820 4.275 -0.455 1 1 931 . 1 1 1 A 74 74 ARG C C 74 177.297 178.887 -1.590 1 1 932 . 1 1 1 A 74 74 ARG CA C 74 59.805 58.792 1.013 1 1 933 . 1 1 1 A 74 74 ARG CB C 74 29.773 29.977 -0.204 1 1 936 . 1 1 1 A 74 74 ARG N N 74 117.535 118.470 -0.935 1 1 938 . 1 1 1 A 75 75 LYS H H 75 7.123 7.885 -0.762 1 1 939 . 1 1 1 A 75 75 LYS HA H 75 3.960 4.024 -0.064 1 1 948 . 1 1 1 A 75 75 LYS C C 75 178.071 178.884 -0.813 1 1 949 . 1 1 1 A 75 75 LYS CA C 75 59.488 59.044 0.444 1 1 950 . 1 1 1 A 75 75 LYS CB C 75 31.928 32.246 -0.318 1 1 954 . 1 1 1 A 75 75 LYS N N 75 119.136 118.614 0.522 1 1 955 . 1 1 1 A 76 76 MET H H 76 7.673 8.071 -0.398 1 1 956 . 1 1 1 A 76 76 MET HA H 76 4.205 4.138 0.067 1 1 964 . 1 1 1 A 76 76 MET C C 76 178.925 178.155 0.770 1 1 965 . 1 1 1 A 76 76 MET CA C 76 58.637 58.742 -0.105 1 1 966 . 1 1 1 A 76 76 MET CB C 76 32.344 32.346 -0.002 1 1 969 . 1 1 1 A 76 76 MET N N 76 116.794 119.265 -2.471 1 1 970 . 1 1 1 A 77 77 VAL H H 77 7.928 8.152 -0.224 1 1 971 . 1 1 1 A 77 77 VAL HA H 77 3.601 3.460 0.141 1 1 979 . 1 1 1 A 77 77 VAL C C 77 177.318 177.847 -0.529 1 1 980 . 1 1 1 A 77 77 VAL CA C 77 66.468 66.697 -0.229 1 1 981 . 1 1 1 A 77 77 VAL CB C 77 31.477 31.520 -0.043 1 1 984 . 1 1 1 A 77 77 VAL N N 77 117.999 118.936 -0.937 1 1 985 . 1 1 1 A 78 78 MET H H 78 8.446 8.435 0.011 1 1 986 . 1 1 1 A 78 78 MET HA H 78 4.136 4.122 0.014 1 1 994 . 1 1 1 A 78 78 MET C C 78 178.542 178.102 0.440 1 1 995 . 1 1 1 A 78 78 MET CA C 78 58.514 58.853 -0.339 1 1 996 . 1 1 1 A 78 78 MET CB C 78 31.036 32.635 -1.599 1 1 999 . 1 1 1 A 78 78 MET N N 78 119.079 117.580 1.499 1 1 1000 . 1 1 1 A 79 79 ASP H H 79 8.202 8.312 -0.110 1 1 1001 . 1 1 1 A 79 79 ASP HA H 79 4.419 4.248 0.171 1 1 1004 . 1 1 1 A 79 79 ASP C C 79 179.097 178.590 0.507 1 1 1005 . 1 1 1 A 79 79 ASP CA C 79 57.277 57.580 -0.303 1 1 1006 . 1 1 1 A 79 79 ASP CB C 79 39.813 41.697 -1.884 1 1 1007 . 1 1 1 A 79 79 ASP N N 79 119.422 120.091 -0.669 1 1 1008 . 1 1 1 A 80 80 ILE H H 80 7.625 7.379 0.246 1 1 1009 . 1 1 1 A 80 80 ILE HA H 80 3.643 3.447 0.196 1 1 1019 . 1 1 1 A 80 80 ILE C C 80 178.024 178.456 -0.432 1 1 1020 . 1 1 1 A 80 80 ILE CA C 80 64.717 65.058 -0.341 1 1 1021 . 1 1 1 A 80 80 ILE CB C 80 37.661 37.300 0.361 1 1 1025 . 1 1 1 A 80 80 ILE N N 80 121.750 119.270 2.480 1 1 1026 . 1 1 1 A 81 81 LEU H H 81 8.071 8.155 -0.084 1 1 1027 . 1 1 1 A 81 81 LEU HA H 81 3.908 3.991 -0.083 1 1 1037 . 1 1 1 A 81 81 LEU C C 81 178.852 178.956 -0.104 1 1 1038 . 1 1 1 A 81 81 LEU CA C 81 57.329 58.087 -0.758 1 1 1039 . 1 1 1 A 81 81 LEU CB C 81 41.544 40.840 0.704 1 1 1043 . 1 1 1 A 81 81 LEU N N 81 119.850 119.475 0.375 1 1 1044 . 1 1 1 A 82 82 ASN H H 82 8.188 8.466 -0.278 1 1 1045 . 1 1 1 A 82 82 ASN HA H 82 4.417 4.271 0.146 1 1 1050 . 1 1 1 A 82 82 ASN C C 82 176.440 177.522 -1.082 1 1 1051 . 1 1 1 A 82 82 ASN CA C 82 55.011 55.892 -0.881 1 1 1052 . 1 1 1 A 82 82 ASN CB C 82 38.461 38.710 -0.249 1 1 1053 . 1 1 1 A 82 82 ASN N N 82 116.186 117.307 -1.121 1 1 1055 . 1 1 1 A 83 83 PHE H H 83 7.779 7.759 0.020 1 1 1056 . 1 1 1 A 83 83 PHE HA H 83 4.352 4.115 0.237 1 1 1064 . 1 1 1 A 83 83 PHE C C 83 176.767 176.919 -0.152 1 1 1065 . 1 1 1 A 83 83 PHE CA C 83 59.557 61.089 -1.532 1 1 1066 . 1 1 1 A 83 83 PHE CB C 83 38.944 38.541 0.403 1 1 1070 . 1 1 1 A 83 83 PHE N N 83 118.925 120.306 -1.381 1 1 1071 . 1 1 1 A 84 84 TYR H H 84 8.057 7.550 0.507 1 1 1072 . 1 1 1 A 84 84 TYR HA H 84 4.388 4.356 0.032 1 1 1079 . 1 1 1 A 84 84 TYR C C 84 176.233 176.016 0.217 1 1 1080 . 1 1 1 A 84 84 TYR CA C 84 59.261 60.069 -0.808 1 1 1081 . 1 1 1 A 84 84 TYR CB C 84 38.503 39.031 -0.528 1 1 1084 . 1 1 1 A 84 84 TYR N N 84 118.223 116.528 1.695 1 1 1085 . 1 1 1 A 85 85 ASN H H 85 8.192 7.930 0.262 1 1 1086 . 1 1 1 A 85 85 ASN HA H 85 4.679 5.090 -0.411 1 1 1091 . 1 1 1 A 85 85 ASN C C 85 175.367 174.304 1.063 1 1 1092 . 1 1 1 A 85 85 ASN CA C 85 53.261 52.167 1.094 1 1 1093 . 1 1 1 A 85 85 ASN CB C 85 38.501 41.985 -3.484 1 1 1094 . 1 1 1 A 85 85 ASN N N 85 118.935 112.380 6.555 1 1 1096 . 1 1 1 A 86 86 LYS H H 86 8.151 8.876 -0.725 1 1 1097 . 1 1 1 A 86 86 LYS HA H 86 4.151 4.709 -0.558 1 1 1106 . 1 1 1 A 86 86 LYS C C 86 176.981 176.835 0.146 1 1 1107 . 1 1 1 A 86 86 LYS CA C 86 57.714 56.112 1.602 1 1 1108 . 1 1 1 A 86 86 LYS CB C 86 32.368 32.724 -0.356 1 1 1112 . 1 1 1 A 86 86 LYS N N 86 121.533 118.544 2.989 1 1 1113 . 1 1 1 A 87 87 ASP H H 87 8.269 7.997 0.272 1 1 1114 . 1 1 1 A 87 87 ASP HA H 87 4.553 4.441 0.112 1 1 1117 . 1 1 1 A 87 87 ASP C C 87 177.209 177.873 -0.664 1 1 1118 . 1 1 1 A 87 87 ASP CA C 87 55.538 57.517 -1.979 1 1 1119 . 1 1 1 A 87 87 ASP CB C 87 40.677 40.331 0.346 1 1 1120 . 1 1 1 A 87 87 ASP N N 87 119.408 120.535 -1.127 1 1 1121 . 1 1 1 A 88 88 MET H H 88 7.941 8.218 -0.277 1 1 1122 . 1 1 1 A 88 88 MET HA H 88 4.257 4.508 -0.251 1 1 1130 . 1 1 1 A 88 88 MET C C 88 176.851 178.294 -1.443 1 1 1131 . 1 1 1 A 88 88 MET CA C 88 56.461 56.521 -0.060 1 1 1132 . 1 1 1 A 88 88 MET CB C 88 32.371 33.032 -0.661 1 1 1135 . 1 1 1 A 88 88 MET N N 88 119.377 116.398 2.979 1 1 1136 . 1 1 1 A 89 89 TYR H H 89 8.094 7.970 0.124 1 1 1137 . 1 1 1 A 89 89 TYR HA H 89 4.350 4.209 0.141 1 1 1144 . 1 1 1 A 89 89 TYR C C 89 176.252 177.488 -1.236 1 1 1145 . 1 1 1 A 89 89 TYR CA C 89 59.097 61.046 -1.949 1 1 1146 . 1 1 1 A 89 89 TYR CB C 89 38.051 38.577 -0.526 1 1 1149 . 1 1 1 A 89 89 TYR N N 89 119.418 122.206 -2.788 1 1 1150 . 1 1 1 A 90 90 ASN H H 90 8.244 8.543 -0.299 1 1 1151 . 1 1 1 A 90 90 ASN HA H 90 4.573 4.297 0.276 1 1 1156 . 1 1 1 A 90 90 ASN C C 90 175.907 176.883 -0.976 1 1 1157 . 1 1 1 A 90 90 ASN CA C 90 53.867 55.514 -1.647 1 1 1158 . 1 1 1 A 90 90 ASN CB C 90 38.479 37.841 0.638 1 1 1159 . 1 1 1 A 90 90 ASN N N 90 118.918 117.854 1.064 1 1 1161 . 1 1 1 A 91 91 GLN H H 91 8.176 7.872 0.304 1 1 1162 . 1 1 1 A 91 91 GLN HA H 91 4.216 4.235 -0.019 1 1 1169 . 1 1 1 A 91 91 GLN C C 91 176.568 178.806 -2.238 1 1 1170 . 1 1 1 A 91 91 GLN CA C 91 56.600 58.159 -1.559 1 1 1171 . 1 1 1 A 91 91 GLN CB C 91 28.859 29.061 -0.202 1 1 1173 . 1 1 1 A 91 91 GLN N N 91 119.648 118.668 0.980 1 1 1175 . 1 1 1 A 92 92 LEU H H 92 8.015 7.120 0.895 1 1 1176 . 1 1 1 A 92 92 LEU HA H 92 4.214 4.113 0.101 1 1 1186 . 1 1 1 A 92 92 LEU C C 92 177.661 177.044 0.617 1 1 1187 . 1 1 1 A 92 92 LEU CA C 92 55.550 57.254 -1.704 1 1 1188 . 1 1 1 A 92 92 LEU CB C 92 41.994 42.215 -0.221 1 1 1192 . 1 1 1 A 92 92 LEU N N 92 121.059 119.227 1.832 1 1 1193 . 1 1 1 A 93 93 GLU H H 93 8.132 7.747 0.385 1 1 1194 . 1 1 1 A 93 93 GLU HA H 93 4.099 4.652 -0.553 1 1 1199 . 1 1 1 A 93 93 GLU C C 93 176.461 176.006 0.455 1 1 1200 . 1 1 1 A 93 93 GLU CA C 93 56.838 54.751 2.087 1 1 1201 . 1 1 1 A 93 93 GLU CB C 93 29.803 32.608 -2.805 1 1 1203 . 1 1 1 A 93 93 GLU N N 93 119.896 117.403 2.493 1 1 1204 . 1 1 1 A 94 94 HIS H H 94 8.134 8.601 -0.467 1 1 1205 . 1 1 1 A 94 94 HIS C C 94 174.994 175.127 -0.133 1 1 1206 . 1 1 1 A 94 94 HIS CA C 94 56.075 56.634 -0.559 1 1 1207 . 1 1 1 A 94 94 HIS CB C 94 29.997 29.739 0.258 1 1 1 . 2 1 1 A 2 2 ASP HA H 2 4.708 4.935 -0.227 1 1 4 . 2 1 1 A 2 2 ASP C C 2 176.847 175.857 0.990 1 1 5 . 2 1 1 A 2 2 ASP CA C 2 53.800 52.899 0.901 1 1 6 . 2 1 1 A 2 2 ASP CB C 2 40.922 38.619 2.303 1 1 7 . 2 1 1 A 3 3 GLN H H 3 9.117 8.157 0.960 1 1 8 . 2 1 1 A 3 3 GLN HA H 3 4.139 3.882 0.257 1 1 15 . 2 1 1 A 3 3 GLN C C 3 177.725 177.511 0.214 1 1 16 . 2 1 1 A 3 3 GLN CA C 3 58.612 58.611 0.001 1 1 17 . 2 1 1 A 3 3 GLN CB C 3 28.880 28.496 0.384 1 1 19 . 2 1 1 A 3 3 GLN N N 3 124.129 125.464 -1.335 1 1 21 . 2 1 1 A 4 4 LEU H H 4 8.285 8.185 0.100 1 1 22 . 2 1 1 A 4 4 LEU HA H 4 3.947 3.643 0.304 1 1 32 . 2 1 1 A 4 4 LEU C C 4 178.111 179.057 -0.946 1 1 33 . 2 1 1 A 4 4 LEU CA C 4 56.421 57.793 -1.372 1 1 34 . 2 1 1 A 4 4 LEU CB C 4 40.690 41.502 -0.812 1 1 38 . 2 1 1 A 4 4 LEU N N 4 117.977 119.241 -1.264 1 1 39 . 2 1 1 A 5 5 LYS H H 5 7.624 8.050 -0.426 1 1 40 . 2 1 1 A 5 5 LYS HA H 5 3.837 3.978 -0.141 1 1 49 . 2 1 1 A 5 5 LYS C C 5 178.775 179.082 -0.307 1 1 50 . 2 1 1 A 5 5 LYS CA C 5 59.939 59.436 0.503 1 1 51 . 2 1 1 A 5 5 LYS CB C 5 32.344 32.100 0.244 1 1 55 . 2 1 1 A 5 5 LYS N N 5 121.000 120.357 0.643 1 1 56 . 2 1 1 A 6 6 THR H H 6 7.852 7.724 0.128 1 1 57 . 2 1 1 A 6 6 THR HA H 6 3.908 3.858 0.050 1 1 62 . 2 1 1 A 6 6 THR C C 6 176.483 176.803 -0.320 1 1 63 . 2 1 1 A 6 6 THR CA C 6 66.062 66.794 -0.732 1 1 64 . 2 1 1 A 6 6 THR CB C 6 68.255 68.222 0.033 1 1 66 . 2 1 1 A 6 6 THR N N 6 115.606 116.795 -1.189 1 1 67 . 2 1 1 A 7 7 ILE H H 7 7.791 7.752 0.039 1 1 68 . 2 1 1 A 7 7 ILE HA H 7 3.422 3.520 -0.098 1 1 78 . 2 1 1 A 7 7 ILE C C 7 177.219 177.610 -0.391 1 1 79 . 2 1 1 A 7 7 ILE CA C 7 65.799 65.543 0.256 1 1 80 . 2 1 1 A 7 7 ILE CB C 7 37.619 37.456 0.163 1 1 84 . 2 1 1 A 7 7 ILE N N 7 122.292 121.599 0.693 1 1 85 . 2 1 1 A 8 8 LYS H H 8 8.233 8.214 0.019 1 1 86 . 2 1 1 A 8 8 LYS HA H 8 3.721 3.795 -0.074 1 1 95 . 2 1 1 A 8 8 LYS C C 8 179.054 180.105 -1.051 1 1 96 . 2 1 1 A 8 8 LYS CA C 8 60.378 60.454 -0.076 1 1 97 . 2 1 1 A 8 8 LYS CB C 8 31.990 32.058 -0.068 1 1 101 . 2 1 1 A 8 8 LYS N N 8 119.853 118.908 0.945 1 1 102 . 2 1 1 A 9 9 GLU H H 9 7.677 8.408 -0.731 1 1 103 . 2 1 1 A 9 9 GLU HA H 9 4.138 3.996 0.142 1 1 108 . 2 1 1 A 9 9 GLU C C 9 178.839 179.225 -0.386 1 1 109 . 2 1 1 A 9 9 GLU CA C 9 59.045 59.139 -0.094 1 1 110 . 2 1 1 A 9 9 GLU CB C 9 28.877 29.285 -0.408 1 1 112 . 2 1 1 A 9 9 GLU N N 9 118.933 120.442 -1.509 1 1 113 . 2 1 1 A 10 10 LEU H H 10 7.996 7.760 0.236 1 1 114 . 2 1 1 A 10 10 LEU HA H 10 4.027 4.003 0.024 1 1 124 . 2 1 1 A 10 10 LEU C C 10 179.717 179.064 0.653 1 1 125 . 2 1 1 A 10 10 LEU CA C 10 58.212 58.087 0.125 1 1 126 . 2 1 1 A 10 10 LEU CB C 10 41.994 41.786 0.208 1 1 130 . 2 1 1 A 10 10 LEU N N 10 120.361 120.663 -0.302 1 1 131 . 2 1 1 A 11 11 ILE H H 11 8.059 8.187 -0.128 1 1 132 . 2 1 1 A 11 11 ILE HA H 11 3.233 3.480 -0.247 1 1 142 . 2 1 1 A 11 11 ILE C C 11 179.525 178.636 0.889 1 1 143 . 2 1 1 A 11 11 ILE CA C 11 65.782 64.858 0.924 1 1 144 . 2 1 1 A 11 11 ILE CB C 11 37.620 37.326 0.294 1 1 148 . 2 1 1 A 11 11 ILE N N 11 118.455 119.600 -1.145 1 1 149 . 2 1 1 A 12 12 ASN H H 12 8.219 8.453 -0.234 1 1 150 . 2 1 1 A 12 12 ASN HA H 12 4.355 4.490 -0.135 1 1 155 . 2 1 1 A 12 12 ASN C C 12 177.168 178.504 -1.336 1 1 156 . 2 1 1 A 12 12 ASN CA C 12 55.945 56.577 -0.632 1 1 157 . 2 1 1 A 12 12 ASN CB C 12 38.012 37.771 0.241 1 1 158 . 2 1 1 A 12 12 ASN N N 12 120.732 118.908 1.824 1 1 160 . 2 1 1 A 13 13 GLN H H 13 8.028 7.886 0.142 1 1 161 . 2 1 1 A 13 13 GLN HA H 13 4.295 4.130 0.165 1 1 168 . 2 1 1 A 13 13 GLN C C 13 176.418 175.899 0.519 1 1 169 . 2 1 1 A 13 13 GLN CA C 13 55.821 56.497 -0.676 1 1 170 . 2 1 1 A 13 13 GLN CB C 13 28.852 29.126 -0.274 1 1 172 . 2 1 1 A 13 13 GLN N N 13 116.080 115.959 0.121 1 1 174 . 2 1 1 A 14 14 GLY H H 14 7.853 8.075 -0.222 1 1 175 . 2 1 1 A 14 14 GLY HA2 H 14 4.337 4.009 0.328 1 1 176 . 2 1 1 A 14 14 GLY HA3 H 14 3.511 4.017 -0.506 1 1 177 . 2 1 1 A 14 14 GLY C C 14 174.233 173.845 0.388 1 1 178 . 2 1 1 A 14 14 GLY CA C 14 45.063 44.914 0.149 1 1 179 . 2 1 1 A 14 14 GLY N N 14 107.118 106.826 0.292 1 1 180 . 2 1 1 A 15 15 ASP H H 15 8.325 7.878 0.447 1 1 181 . 2 1 1 A 15 15 ASP HA H 15 4.973 4.625 0.348 1 1 184 . 2 1 1 A 15 15 ASP C C 15 176.427 176.672 -0.245 1 1 185 . 2 1 1 A 15 15 ASP CA C 15 51.828 52.507 -0.679 1 1 186 . 2 1 1 A 15 15 ASP CB C 15 38.583 39.190 -0.607 1 1 187 . 2 1 1 A 15 15 ASP N N 15 125.524 120.429 5.095 1 1 188 . 2 1 1 A 16 16 ILE H H 16 7.615 7.884 -0.269 1 1 189 . 2 1 1 A 16 16 ILE HA H 16 3.353 3.753 -0.400 1 1 199 . 2 1 1 A 16 16 ILE C C 16 177.618 177.537 0.081 1 1 200 . 2 1 1 A 16 16 ILE CA C 16 62.996 64.680 -1.684 1 1 201 . 2 1 1 A 16 16 ILE CB C 16 35.856 37.047 -1.191 1 1 205 . 2 1 1 A 16 16 ILE N N 16 119.875 124.882 -5.007 1 1 206 . 2 1 1 A 17 17 GLU H H 17 8.844 8.314 0.530 1 1 207 . 2 1 1 A 17 17 GLU HA H 17 3.887 3.867 0.020 1 1 212 . 2 1 1 A 17 17 GLU C C 17 179.739 179.587 0.152 1 1 213 . 2 1 1 A 17 17 GLU CA C 17 60.364 59.939 0.425 1 1 214 . 2 1 1 A 17 17 GLU CB C 17 28.670 29.309 -0.639 1 1 216 . 2 1 1 A 17 17 GLU N N 17 120.080 121.137 -1.057 1 1 217 . 2 1 1 A 18 18 ASN H H 18 7.768 7.761 0.007 1 1 218 . 2 1 1 A 18 18 ASN HA H 18 4.535 4.450 0.085 1 1 223 . 2 1 1 A 18 18 ASN C C 18 178.197 177.950 0.247 1 1 224 . 2 1 1 A 18 18 ASN CA C 18 55.682 56.804 -1.122 1 1 225 . 2 1 1 A 18 18 ASN CB C 18 37.615 38.552 -0.937 1 1 226 . 2 1 1 A 18 18 ASN N N 18 116.056 118.000 -1.944 1 1 228 . 2 1 1 A 19 19 ALA H H 19 7.989 7.684 0.305 1 1 229 . 2 1 1 A 19 19 ALA HA H 19 3.870 4.021 -0.151 1 1 233 . 2 1 1 A 19 19 ALA C C 19 178.732 179.812 -1.080 1 1 234 . 2 1 1 A 19 19 ALA CA C 19 55.543 55.092 0.451 1 1 235 . 2 1 1 A 19 19 ALA CB C 19 18.362 18.383 -0.021 1 1 236 . 2 1 1 A 19 19 ALA N N 19 123.900 123.234 0.666 1 1 237 . 2 1 1 A 20 20 LEU H H 20 8.589 8.831 -0.242 1 1 238 . 2 1 1 A 20 20 LEU HA H 20 3.856 3.751 0.105 1 1 248 . 2 1 1 A 20 20 LEU C C 20 179.139 178.944 0.195 1 1 249 . 2 1 1 A 20 20 LEU CA C 20 58.169 58.117 0.052 1 1 250 . 2 1 1 A 20 20 LEU CB C 20 41.569 41.764 -0.195 1 1 254 . 2 1 1 A 20 20 LEU N N 20 117.052 118.138 -1.086 1 1 255 . 2 1 1 A 21 21 GLN H H 21 7.439 8.202 -0.763 1 1 256 . 2 1 1 A 21 21 GLN HA H 21 4.029 4.019 0.010 1 1 263 . 2 1 1 A 21 21 GLN C C 21 178.411 177.945 0.466 1 1 264 . 2 1 1 A 21 21 GLN CA C 21 58.730 58.519 0.211 1 1 265 . 2 1 1 A 21 21 GLN CB C 21 28.002 27.937 0.065 1 1 267 . 2 1 1 A 21 21 GLN N N 21 118.218 117.300 0.918 1 1 269 . 2 1 1 A 22 22 ALA H H 22 7.848 7.826 0.022 1 1 270 . 2 1 1 A 22 22 ALA HA H 22 4.191 4.142 0.049 1 1 274 . 2 1 1 A 22 22 ALA C C 22 181.475 180.468 1.007 1 1 275 . 2 1 1 A 22 22 ALA CA C 22 54.631 54.999 -0.368 1 1 276 . 2 1 1 A 22 22 ALA CB C 22 17.907 18.363 -0.456 1 1 277 . 2 1 1 A 22 22 ALA N N 22 121.474 122.163 -0.689 1 1 278 . 2 1 1 A 23 23 LEU H H 23 8.751 8.361 0.390 1 1 279 . 2 1 1 A 23 23 LEU HA H 23 3.906 3.988 -0.082 1 1 289 . 2 1 1 A 23 23 LEU C C 23 177.996 179.106 -1.110 1 1 290 . 2 1 1 A 23 23 LEU CA C 23 58.155 57.790 0.365 1 1 291 . 2 1 1 A 23 23 LEU CB C 23 42.020 41.232 0.788 1 1 295 . 2 1 1 A 23 23 LEU N N 23 122.246 120.916 1.330 1 1 296 . 2 1 1 A 24 24 GLU H H 24 8.247 8.146 0.101 1 1 297 . 2 1 1 A 24 24 GLU HA H 24 3.971 3.982 -0.011 1 1 302 . 2 1 1 A 24 24 GLU C C 24 179.751 179.629 0.122 1 1 303 . 2 1 1 A 24 24 GLU CA C 24 59.506 59.629 -0.123 1 1 304 . 2 1 1 A 24 24 GLU CB C 24 28.849 29.065 -0.216 1 1 306 . 2 1 1 A 24 24 GLU N N 24 119.875 117.994 1.881 1 1 307 . 2 1 1 A 25 25 GLU H H 25 7.736 7.798 -0.062 1 1 308 . 2 1 1 A 25 25 GLU HA H 25 4.013 3.995 0.018 1 1 313 . 2 1 1 A 25 25 GLU C C 25 179.204 179.242 -0.038 1 1 314 . 2 1 1 A 25 25 GLU CA C 25 59.058 59.114 -0.056 1 1 315 . 2 1 1 A 25 25 GLU CB C 25 29.238 29.335 -0.097 1 1 317 . 2 1 1 A 25 25 GLU N N 25 118.451 119.799 -1.348 1 1 318 . 2 1 1 A 26 26 PHE H H 26 8.389 8.288 0.101 1 1 319 . 2 1 1 A 26 26 PHE HA H 26 4.218 4.107 0.111 1 1 327 . 2 1 1 A 26 26 PHE C C 26 178.732 177.156 1.576 1 1 328 . 2 1 1 A 26 26 PHE CA C 26 61.020 60.803 0.217 1 1 329 . 2 1 1 A 26 26 PHE CB C 26 39.383 39.280 0.103 1 1 333 . 2 1 1 A 26 26 PHE N N 26 122.243 121.533 0.710 1 1 334 . 2 1 1 A 27 27 LEU H H 27 8.643 8.019 0.624 1 1 335 . 2 1 1 A 27 27 LEU HA H 27 3.666 4.080 -0.414 1 1 345 . 2 1 1 A 27 27 LEU C C 27 179.172 177.666 1.506 1 1 346 . 2 1 1 A 27 27 LEU CA C 27 57.728 56.950 0.778 1 1 347 . 2 1 1 A 27 27 LEU CB C 27 42.008 41.332 0.676 1 1 351 . 2 1 1 A 27 27 LEU N N 27 119.374 118.795 0.579 1 1 352 . 2 1 1 A 28 28 GLN H H 28 7.536 7.661 -0.125 1 1 353 . 2 1 1 A 28 28 GLN HA H 28 4.215 4.204 0.011 1 1 360 . 2 1 1 A 28 28 GLN C C 28 177.261 176.999 0.262 1 1 361 . 2 1 1 A 28 28 GLN CA C 28 57.287 57.321 -0.034 1 1 362 . 2 1 1 A 28 28 GLN CB C 28 28.832 28.994 -0.162 1 1 364 . 2 1 1 A 28 28 GLN N N 28 116.095 118.221 -2.126 1 1 366 . 2 1 1 A 29 29 THR H H 29 7.480 7.780 -0.300 1 1 367 . 2 1 1 A 29 29 THR HA H 29 4.332 4.288 0.044 1 1 372 . 2 1 1 A 29 29 THR C C 29 174.092 173.753 0.339 1 1 373 . 2 1 1 A 29 29 THR CA C 29 62.533 62.794 -0.261 1 1 374 . 2 1 1 A 29 29 THR CB C 29 70.435 68.816 1.619 1 1 376 . 2 1 1 A 29 29 THR N N 29 108.609 109.952 -1.343 1 1 377 . 2 1 1 A 30 30 GLU H H 30 7.935 7.050 0.885 1 1 378 . 2 1 1 A 30 30 GLU HA H 30 4.221 4.703 -0.482 1 1 383 . 2 1 1 A 30 30 GLU CA C 30 54.719 53.643 1.076 1 1 384 . 2 1 1 A 30 30 GLU CB C 30 28.002 30.198 -2.196 1 1 386 . 2 1 1 A 30 30 GLU N N 30 119.400 119.510 -0.110 1 1 387 . 2 1 1 A 31 31 PRO HA H 31 4.430 4.426 0.004 1 1 394 . 2 1 1 A 31 31 PRO C C 31 177.447 177.447 0.000 1 1 395 . 2 1 1 A 31 31 PRO CA C 31 62.992 64.814 -1.822 1 1 396 . 2 1 1 A 31 31 PRO CB C 31 32.354 32.018 0.336 1 1 399 . 2 1 1 A 32 32 VAL H H 32 7.989 7.776 0.213 1 1 400 . 2 1 1 A 32 32 VAL HA H 32 4.211 3.891 0.320 1 1 408 . 2 1 1 A 32 32 VAL C C 32 176.778 177.375 -0.597 1 1 409 . 2 1 1 A 32 32 VAL CA C 32 62.755 64.864 -2.109 1 1 410 . 2 1 1 A 32 32 VAL CB C 32 32.697 31.445 1.252 1 1 412 . 2 1 1 A 32 32 VAL N N 32 118.439 116.061 2.378 1 1 413 . 2 1 1 A 33 33 GLY H H 33 8.764 7.951 0.813 1 1 414 . 2 1 1 A 33 33 GLY HA2 H 33 4.195 4.131 0.064 1 1 415 . 2 1 1 A 33 33 GLY HA3 H 33 4.195 4.200 -0.005 1 1 416 . 2 1 1 A 33 33 GLY C C 33 176.287 174.992 1.295 1 1 417 . 2 1 1 A 33 33 GLY CA C 33 45.917 45.458 0.459 1 1 418 . 2 1 1 A 33 33 GLY N N 33 111.588 108.202 3.386 1 1 419 . 2 1 1 A 34 34 LYS H H 34 8.296 7.791 0.505 1 1 420 . 2 1 1 A 34 34 LYS HA H 34 3.839 4.291 -0.452 1 1 429 . 2 1 1 A 34 34 LYS C C 34 177.040 179.416 -2.376 1 1 430 . 2 1 1 A 34 34 LYS CA C 34 59.883 59.580 0.303 1 1 431 . 2 1 1 A 34 34 LYS CB C 34 32.883 32.336 0.547 1 1 435 . 2 1 1 A 34 34 LYS N N 34 119.887 119.644 0.243 1 1 436 . 2 1 1 A 35 35 ASP H H 35 9.065 8.754 0.311 1 1 437 . 2 1 1 A 35 35 ASP HA H 35 4.362 4.563 -0.201 1 1 440 . 2 1 1 A 35 35 ASP C C 35 177.018 178.327 -1.309 1 1 441 . 2 1 1 A 35 35 ASP CA C 35 57.636 57.291 0.345 1 1 442 . 2 1 1 A 35 35 ASP CB C 35 41.086 39.859 1.227 1 1 443 . 2 1 1 A 35 35 ASP N N 35 115.065 118.523 -3.458 1 1 444 . 2 1 1 A 36 36 GLU H H 36 7.474 8.383 -0.909 1 1 445 . 2 1 1 A 36 36 GLU HA H 36 4.275 4.115 0.160 1 1 450 . 2 1 1 A 36 36 GLU C C 36 178.261 178.635 -0.374 1 1 451 . 2 1 1 A 36 36 GLU CA C 36 59.046 59.688 -0.642 1 1 452 . 2 1 1 A 36 36 GLU CB C 36 29.283 29.348 -0.065 1 1 454 . 2 1 1 A 36 36 GLU N N 36 121.291 120.182 1.109 1 1 455 . 2 1 1 A 37 37 ALA H H 37 7.674 7.552 0.122 1 1 456 . 2 1 1 A 37 37 ALA HA H 37 3.887 4.032 -0.145 1 1 460 . 2 1 1 A 37 37 ALA C C 37 179.161 179.764 -0.603 1 1 461 . 2 1 1 A 37 37 ALA CA C 37 55.091 55.150 -0.059 1 1 462 . 2 1 1 A 37 37 ALA CB C 37 17.925 18.309 -0.384 1 1 463 . 2 1 1 A 37 37 ALA N N 37 120.365 121.864 -1.499 1 1 464 . 2 1 1 A 38 38 TYR H H 38 8.175 8.654 -0.479 1 1 465 . 2 1 1 A 38 38 TYR HA H 38 4.422 4.402 0.020 1 1 472 . 2 1 1 A 38 38 TYR C C 38 178.497 178.552 -0.055 1 1 473 . 2 1 1 A 38 38 TYR CA C 38 62.662 60.853 1.809 1 1 474 . 2 1 1 A 38 38 TYR CB C 38 37.996 37.795 0.201 1 1 477 . 2 1 1 A 38 38 TYR N N 38 117.027 116.256 0.771 1 1 478 . 2 1 1 A 39 39 TYR H H 39 8.321 8.346 -0.025 1 1 479 . 2 1 1 A 39 39 TYR HA H 39 4.413 4.432 -0.019 1 1 486 . 2 1 1 A 39 39 TYR C C 39 176.311 177.208 -0.897 1 1 487 . 2 1 1 A 39 39 TYR CA C 39 60.856 61.932 -1.076 1 1 488 . 2 1 1 A 39 39 TYR CB C 39 38.015 38.995 -0.980 1 1 491 . 2 1 1 A 39 39 TYR N N 39 120.527 120.992 -0.465 1 1 492 . 2 1 1 A 40 40 LEU H H 40 8.508 8.428 0.080 1 1 493 . 2 1 1 A 40 40 LEU HA H 40 3.585 3.900 -0.315 1 1 503 . 2 1 1 A 40 40 LEU C C 40 178.857 179.307 -0.450 1 1 504 . 2 1 1 A 40 40 LEU CA C 40 57.723 57.807 -0.084 1 1 505 . 2 1 1 A 40 40 LEU CB C 40 41.543 41.217 0.326 1 1 509 . 2 1 1 A 40 40 LEU N N 40 118.925 120.673 -1.748 1 1 510 . 2 1 1 A 41 41 MET H H 41 8.661 8.537 0.124 1 1 511 . 2 1 1 A 41 41 MET HA H 41 3.611 3.975 -0.364 1 1 519 . 2 1 1 A 41 41 MET C C 41 178.325 179.066 -0.741 1 1 520 . 2 1 1 A 41 41 MET CA C 41 59.498 59.134 0.364 1 1 521 . 2 1 1 A 41 41 MET CB C 41 32.806 32.674 0.132 1 1 524 . 2 1 1 A 41 41 MET N N 41 119.892 117.611 2.281 1 1 525 . 2 1 1 A 42 42 GLY H H 42 8.531 8.656 -0.125 1 1 526 . 2 1 1 A 42 42 GLY HA2 H 42 3.564 3.183 0.381 1 1 527 . 2 1 1 A 42 42 GLY HA3 H 42 3.164 3.778 -0.614 1 1 528 . 2 1 1 A 42 42 GLY C C 42 174.726 175.747 -1.021 1 1 529 . 2 1 1 A 42 42 GLY CA C 42 48.104 47.169 0.935 1 1 530 . 2 1 1 A 42 42 GLY N N 42 107.064 108.680 -1.616 1 1 531 . 2 1 1 A 43 43 ASN H H 43 8.260 8.221 0.039 1 1 532 . 2 1 1 A 43 43 ASN HA H 43 4.334 4.486 -0.152 1 1 537 . 2 1 1 A 43 43 ASN C C 43 178.111 177.577 0.534 1 1 538 . 2 1 1 A 43 43 ASN CA C 43 54.966 56.520 -1.554 1 1 539 . 2 1 1 A 43 43 ASN CB C 43 36.326 38.851 -2.525 1 1 540 . 2 1 1 A 43 43 ASN N N 43 120.815 119.740 1.075 1 1 542 . 2 1 1 A 44 44 ALA H H 44 8.487 7.901 0.586 1 1 543 . 2 1 1 A 44 44 ALA HA H 44 3.788 3.972 -0.184 1 1 547 . 2 1 1 A 44 44 ALA C C 44 178.389 179.478 -1.089 1 1 548 . 2 1 1 A 44 44 ALA CA C 44 55.152 55.023 0.129 1 1 549 . 2 1 1 A 44 44 ALA CB C 44 16.897 18.118 -1.221 1 1 550 . 2 1 1 A 44 44 ALA N N 44 125.304 122.274 3.030 1 1 551 . 2 1 1 A 45 45 TYR H H 45 8.160 8.079 0.081 1 1 552 . 2 1 1 A 45 45 TYR HA H 45 4.168 4.271 -0.103 1 1 559 . 2 1 1 A 45 45 TYR C C 45 178.775 178.060 0.715 1 1 560 . 2 1 1 A 45 45 TYR CA C 45 62.995 61.654 1.341 1 1 561 . 2 1 1 A 45 45 TYR CB C 45 36.944 37.449 -0.505 1 1 564 . 2 1 1 A 45 45 TYR N N 45 115.156 116.137 -0.981 1 1 565 . 2 1 1 A 46 46 ARG H H 46 8.901 8.236 0.665 1 1 566 . 2 1 1 A 46 46 ARG HA H 46 3.677 3.662 0.015 1 1 573 . 2 1 1 A 46 46 ARG C C 46 179.396 178.943 0.453 1 1 574 . 2 1 1 A 46 46 ARG CA C 46 59.924 59.496 0.428 1 1 575 . 2 1 1 A 46 46 ARG CB C 46 30.131 29.679 0.452 1 1 578 . 2 1 1 A 46 46 ARG N N 46 121.781 121.248 0.533 1 1 579 . 2 1 1 A 47 47 LYS H H 47 7.813 7.548 0.265 1 1 580 . 2 1 1 A 47 47 LYS HA H 47 4.058 3.959 0.099 1 1 589 . 2 1 1 A 47 47 LYS C C 47 178.111 179.337 -1.226 1 1 590 . 2 1 1 A 47 47 LYS CA C 47 58.950 59.393 -0.443 1 1 591 . 2 1 1 A 47 47 LYS CB C 47 31.906 32.138 -0.232 1 1 595 . 2 1 1 A 47 47 LYS N N 47 120.818 118.511 2.307 1 1 596 . 2 1 1 A 48 48 LEU H H 48 7.312 7.403 -0.091 1 1 597 . 2 1 1 A 48 48 LEU HA H 48 4.228 3.971 0.257 1 1 607 . 2 1 1 A 48 48 LEU C C 48 177.254 176.932 0.322 1 1 608 . 2 1 1 A 48 48 LEU CA C 48 54.908 56.552 -1.644 1 1 609 . 2 1 1 A 48 48 LEU CB C 48 42.475 42.641 -0.166 1 1 613 . 2 1 1 A 48 48 LEU N N 48 116.553 117.792 -1.239 1 1 614 . 2 1 1 A 49 49 GLY H H 49 7.564 8.172 -0.608 1 1 615 . 2 1 1 A 49 49 GLY HA2 H 49 3.607 3.717 -0.110 1 1 616 . 2 1 1 A 49 49 GLY HA3 H 49 2.316 3.907 -1.591 1 1 617 . 2 1 1 A 49 49 GLY C C 49 172.900 173.437 -0.537 1 1 618 . 2 1 1 A 49 49 GLY CA C 49 44.184 44.697 -0.513 1 1 619 . 2 1 1 A 49 49 GLY N N 49 107.326 105.742 1.584 1 1 620 . 2 1 1 A 50 50 ASP H H 50 7.670 7.721 -0.051 1 1 621 . 2 1 1 A 50 50 ASP HA H 50 4.564 4.675 -0.111 1 1 624 . 2 1 1 A 50 50 ASP C C 50 175.681 175.454 0.227 1 1 625 . 2 1 1 A 50 50 ASP CA C 50 51.083 52.685 -1.602 1 1 626 . 2 1 1 A 50 50 ASP CB C 50 39.169 41.910 -2.741 1 1 627 . 2 1 1 A 50 50 ASP N N 50 120.356 119.709 0.647 1 1 628 . 2 1 1 A 51 51 TRP H H 51 6.939 8.721 -1.782 1 1 629 . 2 1 1 A 51 51 TRP HA H 51 4.314 4.474 -0.160 1 1 638 . 2 1 1 A 51 51 TRP C C 51 178.047 178.877 -0.830 1 1 639 . 2 1 1 A 51 51 TRP CA C 51 58.473 59.447 -0.974 1 1 640 . 2 1 1 A 51 51 TRP CB C 51 30.099 29.654 0.445 1 1 646 . 2 1 1 A 51 51 TRP N N 51 121.784 125.888 -4.104 1 1 648 . 2 1 1 A 52 52 GLN H H 52 8.677 8.113 0.564 1 1 649 . 2 1 1 A 52 52 GLN HA H 52 3.960 3.885 0.075 1 1 656 . 2 1 1 A 52 52 GLN C C 52 178.454 178.923 -0.469 1 1 657 . 2 1 1 A 52 52 GLN CA C 52 58.925 59.343 -0.418 1 1 658 . 2 1 1 A 52 52 GLN CB C 52 28.183 28.476 -0.293 1 1 660 . 2 1 1 A 52 52 GLN N N 52 117.018 119.057 -2.039 1 1 662 . 2 1 1 A 53 53 LYS H H 53 7.392 8.356 -0.964 1 1 663 . 2 1 1 A 53 53 LYS HA H 53 3.774 3.720 0.054 1 1 672 . 2 1 1 A 53 53 LYS C C 53 180.361 178.537 1.824 1 1 673 . 2 1 1 A 53 53 LYS CA C 53 59.764 59.192 0.572 1 1 674 . 2 1 1 A 53 53 LYS CB C 53 30.802 31.481 -0.679 1 1 678 . 2 1 1 A 53 53 LYS N N 53 117.913 119.642 -1.729 1 1 679 . 2 1 1 A 54 54 ALA H H 54 8.223 7.776 0.447 1 1 680 . 2 1 1 A 54 54 ALA HA H 54 4.012 3.823 0.189 1 1 684 . 2 1 1 A 54 54 ALA C C 54 177.635 179.981 -2.346 1 1 685 . 2 1 1 A 54 54 ALA CA C 54 55.792 54.976 0.816 1 1 686 . 2 1 1 A 54 54 ALA CB C 54 17.045 17.997 -0.952 1 1 687 . 2 1 1 A 54 54 ALA N N 54 123.665 122.071 1.594 1 1 688 . 2 1 1 A 55 55 LEU H H 55 8.425 8.284 0.141 1 1 689 . 2 1 1 A 55 55 LEU HA H 55 4.010 4.019 -0.009 1 1 699 . 2 1 1 A 55 55 LEU C C 55 179.568 179.683 -0.115 1 1 700 . 2 1 1 A 55 55 LEU CA C 55 58.611 58.214 0.397 1 1 701 . 2 1 1 A 55 55 LEU CB C 55 41.500 41.905 -0.405 1 1 705 . 2 1 1 A 55 55 LEU N N 55 116.583 118.701 -2.118 1 1 706 . 2 1 1 A 56 56 ASN H H 56 8.284 8.806 -0.522 1 1 707 . 2 1 1 A 56 56 ASN HA H 56 4.360 4.449 -0.089 1 1 712 . 2 1 1 A 56 56 ASN C C 56 177.790 177.165 0.625 1 1 713 . 2 1 1 A 56 56 ASN CA C 56 55.852 55.639 0.213 1 1 714 . 2 1 1 A 56 56 ASN CB C 56 37.882 37.229 0.653 1 1 715 . 2 1 1 A 56 56 ASN N N 56 117.763 116.456 1.307 1 1 717 . 2 1 1 A 57 57 ASN H H 57 7.600 7.878 -0.278 1 1 718 . 2 1 1 A 57 57 ASN HA H 57 4.425 4.448 -0.023 1 1 723 . 2 1 1 A 57 57 ASN C C 57 177.404 177.989 -0.585 1 1 724 . 2 1 1 A 57 57 ASN CA C 57 58.105 56.408 1.697 1 1 725 . 2 1 1 A 57 57 ASN CB C 57 38.931 38.661 0.270 1 1 726 . 2 1 1 A 57 57 ASN N N 57 118.927 118.504 0.423 1 1 728 . 2 1 1 A 58 58 TYR H H 58 8.838 8.131 0.707 1 1 729 . 2 1 1 A 58 58 TYR HA H 58 4.667 4.430 0.237 1 1 736 . 2 1 1 A 58 58 TYR C C 58 178.047 178.415 -0.368 1 1 737 . 2 1 1 A 58 58 TYR CA C 58 58.430 61.939 -3.509 1 1 738 . 2 1 1 A 58 58 TYR CB C 58 36.743 38.027 -1.284 1 1 741 . 2 1 1 A 58 58 TYR N N 58 118.473 118.592 -0.119 1 1 742 . 2 1 1 A 59 59 GLN H H 59 8.572 8.552 0.020 1 1 743 . 2 1 1 A 59 59 GLN HA H 59 4.022 3.975 0.047 1 1 750 . 2 1 1 A 59 59 GLN C C 59 178.040 177.941 0.099 1 1 751 . 2 1 1 A 59 59 GLN CA C 59 59.054 58.938 0.116 1 1 752 . 2 1 1 A 59 59 GLN CB C 59 27.126 28.471 -1.345 1 1 754 . 2 1 1 A 59 59 GLN N N 59 118.483 120.608 -2.125 1 1 756 . 2 1 1 A 60 60 SER H H 60 7.696 7.954 -0.258 1 1 757 . 2 1 1 A 60 60 SER HA H 60 3.931 3.937 -0.006 1 1 760 . 2 1 1 A 60 60 SER C C 60 175.926 175.993 -0.067 1 1 761 . 2 1 1 A 60 60 SER CA C 60 62.121 61.436 0.685 1 1 762 . 2 1 1 A 60 60 SER CB C 60 61.244 62.137 -0.893 1 1 763 . 2 1 1 A 60 60 SER N N 60 116.103 116.729 -0.626 1 1 764 . 2 1 1 A 61 61 ALA H H 61 7.739 7.705 0.034 1 1 765 . 2 1 1 A 61 61 ALA HA H 61 4.075 4.248 -0.173 1 1 769 . 2 1 1 A 61 61 ALA C C 61 178.686 180.304 -1.618 1 1 770 . 2 1 1 A 61 61 ALA CA C 61 56.019 55.171 0.848 1 1 771 . 2 1 1 A 61 61 ALA CB C 61 18.790 18.502 0.288 1 1 772 . 2 1 1 A 61 61 ALA N N 61 122.319 123.121 -0.802 1 1 773 . 2 1 1 A 62 62 ILE H H 62 7.991 7.760 0.231 1 1 774 . 2 1 1 A 62 62 ILE HA H 62 3.857 3.849 0.008 1 1 784 . 2 1 1 A 62 62 ILE C C 62 178.131 177.872 0.259 1 1 785 . 2 1 1 A 62 62 ILE CA C 62 63.418 64.851 -1.433 1 1 786 . 2 1 1 A 62 62 ILE CB C 62 39.119 36.954 2.165 1 1 790 . 2 1 1 A 62 62 ILE N N 62 117.981 118.992 -1.011 1 1 791 . 2 1 1 A 63 63 GLU H H 63 7.988 8.215 -0.227 1 1 792 . 2 1 1 A 63 63 GLU HA H 63 3.902 4.023 -0.121 1 1 797 . 2 1 1 A 63 63 GLU C C 63 178.564 177.886 0.678 1 1 798 . 2 1 1 A 63 63 GLU CA C 63 58.594 59.259 -0.665 1 1 799 . 2 1 1 A 63 63 GLU CB C 63 29.278 29.305 -0.027 1 1 801 . 2 1 1 A 63 63 GLU N N 63 118.190 121.215 -3.025 1 1 802 . 2 1 1 A 64 64 LEU H H 64 7.024 7.502 -0.478 1 1 803 . 2 1 1 A 64 64 LEU HA H 64 4.347 4.281 0.066 1 1 813 . 2 1 1 A 64 64 LEU C C 64 177.496 176.838 0.658 1 1 814 . 2 1 1 A 64 64 LEU CA C 64 55.810 56.509 -0.699 1 1 815 . 2 1 1 A 64 64 LEU CB C 64 43.746 43.578 0.168 1 1 819 . 2 1 1 A 64 64 LEU N N 64 116.109 118.514 -2.405 1 1 820 . 2 1 1 A 65 65 ASN H H 65 8.270 8.394 -0.124 1 1 821 . 2 1 1 A 65 65 ASN HA H 65 5.068 5.028 0.040 1 1 826 . 2 1 1 A 65 65 ASN C C 65 172.512 174.284 -1.772 1 1 827 . 2 1 1 A 65 65 ASN CA C 65 49.457 49.549 -0.092 1 1 828 . 2 1 1 A 65 65 ASN CB C 65 38.936 40.121 -1.185 1 1 829 . 2 1 1 A 65 65 ASN N N 65 116.544 115.712 0.832 1 1 831 . 2 1 1 A 66 66 PRO HA H 66 4.467 4.555 -0.088 1 1 838 . 2 1 1 A 66 66 PRO C C 66 176.054 176.843 -0.789 1 1 839 . 2 1 1 A 66 66 PRO CA C 66 63.894 64.207 -0.313 1 1 840 . 2 1 1 A 66 66 PRO CB C 66 31.935 31.800 0.135 1 1 843 . 2 1 1 A 67 67 ASP H H 67 7.326 8.056 -0.730 1 1 844 . 2 1 1 A 67 67 ASP HA H 67 4.863 4.863 0.000 1 1 847 . 2 1 1 A 67 67 ASP C C 67 175.647 175.721 -0.074 1 1 848 . 2 1 1 A 67 67 ASP CA C 67 53.273 53.298 -0.025 1 1 849 . 2 1 1 A 67 67 ASP CB C 67 41.453 41.009 0.444 1 1 850 . 2 1 1 A 67 67 ASP N N 67 114.579 117.362 -2.783 1 1 851 . 2 1 1 A 68 68 SER H H 68 7.670 7.274 0.396 1 1 852 . 2 1 1 A 68 68 SER HA H 68 4.315 4.513 -0.198 1 1 856 . 2 1 1 A 68 68 SER C C 68 175.108 174.928 0.180 1 1 857 . 2 1 1 A 68 68 SER CA C 68 56.422 56.314 0.108 1 1 858 . 2 1 1 A 68 68 SER CB C 68 63.880 63.779 0.101 1 1 859 . 2 1 1 A 68 68 SER N N 68 115.624 116.759 -1.135 1 1 860 . 2 1 1 A 69 69 PRO HA H 69 4.588 4.304 0.284 1 1 867 . 2 1 1 A 69 69 PRO C C 69 177.083 177.210 -0.127 1 1 868 . 2 1 1 A 69 69 PRO CA C 69 63.870 64.121 -0.251 1 1 869 . 2 1 1 A 69 69 PRO CB C 69 30.612 31.271 -0.659 1 1 872 . 2 1 1 A 70 70 ALA H H 70 8.442 7.770 0.672 1 1 873 . 2 1 1 A 70 70 ALA HA H 70 3.679 4.211 -0.532 1 1 877 . 2 1 1 A 70 70 ALA C C 70 177.667 180.059 -2.392 1 1 878 . 2 1 1 A 70 70 ALA CA C 70 54.025 54.607 -0.582 1 1 879 . 2 1 1 A 70 70 ALA CB C 70 20.741 18.729 2.012 1 1 880 . 2 1 1 A 70 70 ALA N N 70 121.749 119.903 1.846 1 1 881 . 2 1 1 A 71 71 LEU H H 71 7.956 7.844 0.112 1 1 882 . 2 1 1 A 71 71 LEU HA H 71 3.883 3.904 -0.021 1 1 892 . 2 1 1 A 71 71 LEU C C 71 179.241 179.270 -0.029 1 1 893 . 2 1 1 A 71 71 LEU CA C 71 58.602 58.117 0.485 1 1 894 . 2 1 1 A 71 71 LEU CB C 71 41.987 41.404 0.583 1 1 898 . 2 1 1 A 71 71 LEU N N 71 119.448 119.035 0.413 1 1 899 . 2 1 1 A 72 72 GLN H H 72 7.464 7.868 -0.404 1 1 900 . 2 1 1 A 72 72 GLN HA H 72 4.049 4.099 -0.050 1 1 907 . 2 1 1 A 72 72 GLN C C 72 178.432 178.328 0.104 1 1 908 . 2 1 1 A 72 72 GLN CA C 72 58.626 58.835 -0.209 1 1 909 . 2 1 1 A 72 72 GLN CB C 72 27.557 28.266 -0.709 1 1 911 . 2 1 1 A 72 72 GLN N N 72 117.976 118.340 -0.364 1 1 913 . 2 1 1 A 73 73 ALA H H 73 7.296 7.753 -0.457 1 1 914 . 2 1 1 A 73 73 ALA HA H 73 4.017 4.005 0.012 1 1 918 . 2 1 1 A 73 73 ALA C C 73 178.775 179.480 -0.705 1 1 919 . 2 1 1 A 73 73 ALA CA C 73 54.688 54.825 -0.137 1 1 920 . 2 1 1 A 73 73 ALA CB C 73 17.473 18.020 -0.547 1 1 921 . 2 1 1 A 73 73 ALA N N 73 123.083 122.813 0.270 1 1 922 . 2 1 1 A 74 74 ARG H H 74 8.328 7.966 0.362 1 1 923 . 2 1 1 A 74 74 ARG HA H 74 3.820 4.258 -0.438 1 1 931 . 2 1 1 A 74 74 ARG C C 74 177.297 178.799 -1.502 1 1 932 . 2 1 1 A 74 74 ARG CA C 74 59.805 59.075 0.730 1 1 933 . 2 1 1 A 74 74 ARG CB C 74 29.773 29.844 -0.071 1 1 936 . 2 1 1 A 74 74 ARG N N 74 117.535 118.567 -1.032 1 1 938 . 2 1 1 A 75 75 LYS H H 75 7.123 7.870 -0.747 1 1 939 . 2 1 1 A 75 75 LYS HA H 75 3.960 4.034 -0.074 1 1 948 . 2 1 1 A 75 75 LYS C C 75 178.071 178.835 -0.764 1 1 949 . 2 1 1 A 75 75 LYS CA C 75 59.488 58.703 0.785 1 1 950 . 2 1 1 A 75 75 LYS CB C 75 31.928 31.709 0.219 1 1 954 . 2 1 1 A 75 75 LYS N N 75 119.136 118.678 0.458 1 1 955 . 2 1 1 A 76 76 MET H H 76 7.673 7.909 -0.236 1 1 956 . 2 1 1 A 76 76 MET HA H 76 4.205 4.079 0.126 1 1 964 . 2 1 1 A 76 76 MET C C 76 178.925 178.115 0.810 1 1 965 . 2 1 1 A 76 76 MET CA C 76 58.637 58.735 -0.098 1 1 966 . 2 1 1 A 76 76 MET CB C 76 32.344 32.277 0.067 1 1 969 . 2 1 1 A 76 76 MET N N 76 116.794 119.002 -2.208 1 1 970 . 2 1 1 A 77 77 VAL H H 77 7.928 8.129 -0.201 1 1 971 . 2 1 1 A 77 77 VAL HA H 77 3.601 3.524 0.077 1 1 979 . 2 1 1 A 77 77 VAL C C 77 177.318 177.697 -0.379 1 1 980 . 2 1 1 A 77 77 VAL CA C 77 66.468 66.609 -0.141 1 1 981 . 2 1 1 A 77 77 VAL CB C 77 31.477 31.818 -0.341 1 1 984 . 2 1 1 A 77 77 VAL N N 77 117.999 118.931 -0.932 1 1 985 . 2 1 1 A 78 78 MET H H 78 8.446 8.088 0.358 1 1 986 . 2 1 1 A 78 78 MET HA H 78 4.136 4.102 0.034 1 1 994 . 2 1 1 A 78 78 MET C C 78 178.542 178.156 0.386 1 1 995 . 2 1 1 A 78 78 MET CA C 78 58.514 58.831 -0.317 1 1 996 . 2 1 1 A 78 78 MET CB C 78 31.036 32.526 -1.490 1 1 999 . 2 1 1 A 78 78 MET N N 78 119.079 117.501 1.578 1 1 1000 . 2 1 1 A 79 79 ASP H H 79 8.202 8.191 0.011 1 1 1001 . 2 1 1 A 79 79 ASP HA H 79 4.419 4.288 0.131 1 1 1004 . 2 1 1 A 79 79 ASP C C 79 179.097 178.510 0.587 1 1 1005 . 2 1 1 A 79 79 ASP CA C 79 57.277 57.503 -0.226 1 1 1006 . 2 1 1 A 79 79 ASP CB C 79 39.813 41.108 -1.295 1 1 1007 . 2 1 1 A 79 79 ASP N N 79 119.422 120.035 -0.613 1 1 1008 . 2 1 1 A 80 80 ILE H H 80 7.625 7.835 -0.210 1 1 1009 . 2 1 1 A 80 80 ILE HA H 80 3.643 3.501 0.142 1 1 1019 . 2 1 1 A 80 80 ILE C C 80 178.024 178.270 -0.246 1 1 1020 . 2 1 1 A 80 80 ILE CA C 80 64.717 65.273 -0.556 1 1 1021 . 2 1 1 A 80 80 ILE CB C 80 37.661 37.449 0.212 1 1 1025 . 2 1 1 A 80 80 ILE N N 80 121.750 119.694 2.056 1 1 1026 . 2 1 1 A 81 81 LEU H H 81 8.071 8.482 -0.411 1 1 1027 . 2 1 1 A 81 81 LEU HA H 81 3.908 3.887 0.021 1 1 1037 . 2 1 1 A 81 81 LEU C C 81 178.852 179.108 -0.256 1 1 1038 . 2 1 1 A 81 81 LEU CA C 81 57.329 58.061 -0.732 1 1 1039 . 2 1 1 A 81 81 LEU CB C 81 41.544 41.381 0.163 1 1 1043 . 2 1 1 A 81 81 LEU N N 81 119.850 119.552 0.298 1 1 1044 . 2 1 1 A 82 82 ASN H H 82 8.188 8.241 -0.053 1 1 1045 . 2 1 1 A 82 82 ASN HA H 82 4.417 4.623 -0.206 1 1 1050 . 2 1 1 A 82 82 ASN C C 82 176.440 177.543 -1.103 1 1 1051 . 2 1 1 A 82 82 ASN CA C 82 55.011 56.085 -1.074 1 1 1052 . 2 1 1 A 82 82 ASN CB C 82 38.461 38.746 -0.285 1 1 1053 . 2 1 1 A 82 82 ASN N N 82 116.186 117.283 -1.097 1 1 1055 . 2 1 1 A 83 83 PHE H H 83 7.779 8.107 -0.328 1 1 1056 . 2 1 1 A 83 83 PHE HA H 83 4.352 4.101 0.251 1 1 1064 . 2 1 1 A 83 83 PHE C C 83 176.767 176.979 -0.212 1 1 1065 . 2 1 1 A 83 83 PHE CA C 83 59.557 61.056 -1.499 1 1 1066 . 2 1 1 A 83 83 PHE CB C 83 38.944 38.959 -0.015 1 1 1070 . 2 1 1 A 83 83 PHE N N 83 118.925 119.913 -0.988 1 1 1071 . 2 1 1 A 84 84 TYR H H 84 8.057 7.667 0.390 1 1 1072 . 2 1 1 A 84 84 TYR HA H 84 4.388 4.274 0.114 1 1 1079 . 2 1 1 A 84 84 TYR C C 84 176.233 175.930 0.303 1 1 1080 . 2 1 1 A 84 84 TYR CA C 84 59.261 60.250 -0.989 1 1 1081 . 2 1 1 A 84 84 TYR CB C 84 38.503 38.959 -0.456 1 1 1084 . 2 1 1 A 84 84 TYR N N 84 118.223 116.087 2.136 1 1 1085 . 2 1 1 A 85 85 ASN H H 85 8.192 8.145 0.047 1 1 1086 . 2 1 1 A 85 85 ASN HA H 85 4.679 4.906 -0.227 1 1 1091 . 2 1 1 A 85 85 ASN C C 85 175.367 175.312 0.055 1 1 1092 . 2 1 1 A 85 85 ASN CA C 85 53.261 52.520 0.741 1 1 1093 . 2 1 1 A 85 85 ASN CB C 85 38.501 39.726 -1.225 1 1 1094 . 2 1 1 A 85 85 ASN N N 85 118.935 113.384 5.551 1 1 1096 . 2 1 1 A 86 86 LYS H H 86 8.151 8.554 -0.403 1 1 1097 . 2 1 1 A 86 86 LYS HA H 86 4.151 4.493 -0.342 1 1 1106 . 2 1 1 A 86 86 LYS C C 86 176.981 178.643 -1.662 1 1 1107 . 2 1 1 A 86 86 LYS CA C 86 57.714 57.488 0.226 1 1 1108 . 2 1 1 A 86 86 LYS CB C 86 32.368 34.253 -1.885 1 1 1112 . 2 1 1 A 86 86 LYS N N 86 121.533 119.922 1.611 1 1 1113 . 2 1 1 A 87 87 ASP H H 87 8.269 8.055 0.214 1 1 1114 . 2 1 1 A 87 87 ASP HA H 87 4.553 4.441 0.112 1 1 1117 . 2 1 1 A 87 87 ASP C C 87 177.209 178.469 -1.260 1 1 1118 . 2 1 1 A 87 87 ASP CA C 87 55.538 57.263 -1.725 1 1 1119 . 2 1 1 A 87 87 ASP CB C 87 40.677 40.124 0.553 1 1 1120 . 2 1 1 A 87 87 ASP N N 87 119.408 119.458 -0.050 1 1 1121 . 2 1 1 A 88 88 MET H H 88 7.941 8.466 -0.525 1 1 1122 . 2 1 1 A 88 88 MET HA H 88 4.257 4.041 0.216 1 1 1130 . 2 1 1 A 88 88 MET C C 88 176.851 177.776 -0.925 1 1 1131 . 2 1 1 A 88 88 MET CA C 88 56.461 58.918 -2.457 1 1 1132 . 2 1 1 A 88 88 MET CB C 88 32.371 31.993 0.378 1 1 1135 . 2 1 1 A 88 88 MET N N 88 119.377 119.508 -0.131 1 1 1136 . 2 1 1 A 89 89 TYR H H 89 8.094 8.092 0.002 1 1 1137 . 2 1 1 A 89 89 TYR HA H 89 4.350 4.167 0.183 1 1 1144 . 2 1 1 A 89 89 TYR C C 89 176.252 177.703 -1.451 1 1 1145 . 2 1 1 A 89 89 TYR CA C 89 59.097 60.085 -0.988 1 1 1146 . 2 1 1 A 89 89 TYR CB C 89 38.051 38.852 -0.801 1 1 1149 . 2 1 1 A 89 89 TYR N N 89 119.418 120.961 -1.543 1 1 1150 . 2 1 1 A 90 90 ASN H H 90 8.244 7.850 0.394 1 1 1151 . 2 1 1 A 90 90 ASN HA H 90 4.573 4.139 0.434 1 1 1156 . 2 1 1 A 90 90 ASN C C 90 175.907 178.184 -2.277 1 1 1157 . 2 1 1 A 90 90 ASN CA C 90 53.867 55.540 -1.673 1 1 1158 . 2 1 1 A 90 90 ASN CB C 90 38.479 37.641 0.838 1 1 1159 . 2 1 1 A 90 90 ASN N N 90 118.918 117.508 1.410 1 1 1161 . 2 1 1 A 91 91 GLN H H 91 8.176 7.598 0.578 1 1 1162 . 2 1 1 A 91 91 GLN HA H 91 4.216 3.903 0.313 1 1 1169 . 2 1 1 A 91 91 GLN C C 91 176.568 177.679 -1.111 1 1 1170 . 2 1 1 A 91 91 GLN CA C 91 56.600 58.636 -2.036 1 1 1171 . 2 1 1 A 91 91 GLN CB C 91 28.859 28.215 0.644 1 1 1173 . 2 1 1 A 91 91 GLN N N 91 119.648 120.145 -0.497 1 1 1175 . 2 1 1 A 92 92 LEU H H 92 8.015 7.607 0.408 1 1 1176 . 2 1 1 A 92 92 LEU HA H 92 4.214 4.145 0.069 1 1 1186 . 2 1 1 A 92 92 LEU C C 92 177.661 177.792 -0.131 1 1 1187 . 2 1 1 A 92 92 LEU CA C 92 55.550 55.645 -0.095 1 1 1188 . 2 1 1 A 92 92 LEU CB C 92 41.994 42.007 -0.013 1 1 1192 . 2 1 1 A 92 92 LEU N N 92 121.059 119.336 1.723 1 1 1193 . 2 1 1 A 93 93 GLU H H 93 8.132 7.580 0.552 1 1 1194 . 2 1 1 A 93 93 GLU HA H 93 4.099 4.045 0.054 1 1 1199 . 2 1 1 A 93 93 GLU C C 93 176.461 177.512 -1.051 1 1 1200 . 2 1 1 A 93 93 GLU CA C 93 56.838 56.989 -0.151 1 1 1201 . 2 1 1 A 93 93 GLU CB C 93 29.803 29.118 0.685 1 1 1203 . 2 1 1 A 93 93 GLU N N 93 119.896 119.297 0.599 1 1 1204 . 2 1 1 A 94 94 HIS H H 94 8.134 7.653 0.481 1 1 1205 . 2 1 1 A 94 94 HIS C C 94 174.994 174.990 0.004 1 1 1206 . 2 1 1 A 94 94 HIS CA C 94 56.075 56.298 -0.223 1 1 1207 . 2 1 1 A 94 94 HIS CB C 94 29.997 28.781 1.216 1 1 1 . 3 1 1 A 2 2 ASP HA H 2 4.708 4.826 -0.118 1 1 4 . 3 1 1 A 2 2 ASP C C 2 176.847 176.392 0.455 1 1 5 . 3 1 1 A 2 2 ASP CA C 2 53.800 53.856 -0.056 1 1 6 . 3 1 1 A 2 2 ASP CB C 2 40.922 41.038 -0.116 1 1 7 . 3 1 1 A 3 3 GLN H H 3 9.117 7.937 1.180 1 1 8 . 3 1 1 A 3 3 GLN HA H 3 4.139 3.927 0.212 1 1 15 . 3 1 1 A 3 3 GLN C C 3 177.725 178.357 -0.632 1 1 16 . 3 1 1 A 3 3 GLN CA C 3 58.612 58.801 -0.189 1 1 17 . 3 1 1 A 3 3 GLN CB C 3 28.880 28.185 0.695 1 1 19 . 3 1 1 A 3 3 GLN N N 3 124.129 121.022 3.107 1 1 21 . 3 1 1 A 4 4 LEU H H 4 8.285 8.173 0.112 1 1 22 . 3 1 1 A 4 4 LEU HA H 4 3.947 3.683 0.264 1 1 32 . 3 1 1 A 4 4 LEU C C 4 178.111 179.153 -1.042 1 1 33 . 3 1 1 A 4 4 LEU CA C 4 56.421 57.810 -1.389 1 1 34 . 3 1 1 A 4 4 LEU CB C 4 40.690 41.539 -0.849 1 1 38 . 3 1 1 A 4 4 LEU N N 4 117.977 119.081 -1.104 1 1 39 . 3 1 1 A 5 5 LYS H H 5 7.624 7.717 -0.093 1 1 40 . 3 1 1 A 5 5 LYS HA H 5 3.837 3.991 -0.154 1 1 49 . 3 1 1 A 5 5 LYS C C 5 178.775 179.166 -0.391 1 1 50 . 3 1 1 A 5 5 LYS CA C 5 59.939 59.088 0.851 1 1 51 . 3 1 1 A 5 5 LYS CB C 5 32.344 31.927 0.417 1 1 55 . 3 1 1 A 5 5 LYS N N 5 121.000 120.397 0.603 1 1 56 . 3 1 1 A 6 6 THR H H 6 7.852 7.932 -0.080 1 1 57 . 3 1 1 A 6 6 THR HA H 6 3.908 3.894 0.014 1 1 62 . 3 1 1 A 6 6 THR C C 6 176.483 176.679 -0.196 1 1 63 . 3 1 1 A 6 6 THR CA C 6 66.062 66.927 -0.865 1 1 64 . 3 1 1 A 6 6 THR CB C 6 68.255 68.459 -0.204 1 1 66 . 3 1 1 A 6 6 THR N N 6 115.606 117.042 -1.436 1 1 67 . 3 1 1 A 7 7 ILE H H 7 7.791 7.851 -0.060 1 1 68 . 3 1 1 A 7 7 ILE HA H 7 3.422 3.514 -0.092 1 1 78 . 3 1 1 A 7 7 ILE C C 7 177.219 177.783 -0.564 1 1 79 . 3 1 1 A 7 7 ILE CA C 7 65.799 65.327 0.472 1 1 80 . 3 1 1 A 7 7 ILE CB C 7 37.619 37.474 0.145 1 1 84 . 3 1 1 A 7 7 ILE N N 7 122.292 121.821 0.471 1 1 85 . 3 1 1 A 8 8 LYS H H 8 8.233 8.059 0.174 1 1 86 . 3 1 1 A 8 8 LYS HA H 8 3.721 3.813 -0.092 1 1 95 . 3 1 1 A 8 8 LYS C C 8 179.054 179.947 -0.893 1 1 96 . 3 1 1 A 8 8 LYS CA C 8 60.378 60.478 -0.100 1 1 97 . 3 1 1 A 8 8 LYS CB C 8 31.990 32.243 -0.253 1 1 101 . 3 1 1 A 8 8 LYS N N 8 119.853 119.052 0.801 1 1 102 . 3 1 1 A 9 9 GLU H H 9 7.677 8.423 -0.746 1 1 103 . 3 1 1 A 9 9 GLU HA H 9 4.138 4.015 0.123 1 1 108 . 3 1 1 A 9 9 GLU C C 9 178.839 179.536 -0.697 1 1 109 . 3 1 1 A 9 9 GLU CA C 9 59.045 58.965 0.080 1 1 110 . 3 1 1 A 9 9 GLU CB C 9 28.877 29.512 -0.635 1 1 112 . 3 1 1 A 9 9 GLU N N 9 118.933 120.462 -1.529 1 1 113 . 3 1 1 A 10 10 LEU H H 10 7.996 8.140 -0.144 1 1 114 . 3 1 1 A 10 10 LEU HA H 10 4.027 4.002 0.025 1 1 124 . 3 1 1 A 10 10 LEU C C 10 179.717 179.185 0.532 1 1 125 . 3 1 1 A 10 10 LEU CA C 10 58.212 58.122 0.090 1 1 126 . 3 1 1 A 10 10 LEU CB C 10 41.994 41.795 0.199 1 1 130 . 3 1 1 A 10 10 LEU N N 10 120.361 121.001 -0.640 1 1 131 . 3 1 1 A 11 11 ILE H H 11 8.059 8.158 -0.099 1 1 132 . 3 1 1 A 11 11 ILE HA H 11 3.233 3.522 -0.289 1 1 142 . 3 1 1 A 11 11 ILE C C 11 179.525 178.263 1.262 1 1 143 . 3 1 1 A 11 11 ILE CA C 11 65.782 64.825 0.957 1 1 144 . 3 1 1 A 11 11 ILE CB C 11 37.620 37.283 0.337 1 1 148 . 3 1 1 A 11 11 ILE N N 11 118.455 119.652 -1.197 1 1 149 . 3 1 1 A 12 12 ASN H H 12 8.219 8.189 0.030 1 1 150 . 3 1 1 A 12 12 ASN HA H 12 4.355 4.599 -0.244 1 1 155 . 3 1 1 A 12 12 ASN C C 12 177.168 177.261 -0.093 1 1 156 . 3 1 1 A 12 12 ASN CA C 12 55.945 56.234 -0.289 1 1 157 . 3 1 1 A 12 12 ASN CB C 12 38.012 38.452 -0.440 1 1 158 . 3 1 1 A 12 12 ASN N N 12 120.732 119.357 1.375 1 1 160 . 3 1 1 A 13 13 GLN H H 13 8.028 7.467 0.561 1 1 161 . 3 1 1 A 13 13 GLN HA H 13 4.295 4.346 -0.051 1 1 168 . 3 1 1 A 13 13 GLN C C 13 176.418 175.997 0.421 1 1 169 . 3 1 1 A 13 13 GLN CA C 13 55.821 56.113 -0.292 1 1 170 . 3 1 1 A 13 13 GLN CB C 13 28.852 29.675 -0.823 1 1 172 . 3 1 1 A 13 13 GLN N N 13 116.080 116.629 -0.549 1 1 174 . 3 1 1 A 14 14 GLY H H 14 7.853 8.059 -0.206 1 1 175 . 3 1 1 A 14 14 GLY HA2 H 14 4.337 3.998 0.339 1 1 176 . 3 1 1 A 14 14 GLY HA3 H 14 3.511 4.004 -0.493 1 1 177 . 3 1 1 A 14 14 GLY C C 14 174.233 174.477 -0.244 1 1 178 . 3 1 1 A 14 14 GLY CA C 14 45.063 44.973 0.090 1 1 179 . 3 1 1 A 14 14 GLY N N 14 107.118 106.370 0.748 1 1 180 . 3 1 1 A 15 15 ASP H H 15 8.325 7.768 0.557 1 1 181 . 3 1 1 A 15 15 ASP HA H 15 4.973 4.838 0.135 1 1 184 . 3 1 1 A 15 15 ASP C C 15 176.427 176.184 0.243 1 1 185 . 3 1 1 A 15 15 ASP CA C 15 51.828 53.033 -1.205 1 1 186 . 3 1 1 A 15 15 ASP CB C 15 38.583 38.649 -0.066 1 1 187 . 3 1 1 A 15 15 ASP N N 15 125.524 120.571 4.953 1 1 188 . 3 1 1 A 16 16 ILE H H 16 7.615 8.236 -0.621 1 1 189 . 3 1 1 A 16 16 ILE HA H 16 3.353 3.641 -0.288 1 1 199 . 3 1 1 A 16 16 ILE C C 16 177.618 177.621 -0.003 1 1 200 . 3 1 1 A 16 16 ILE CA C 16 62.996 65.201 -2.205 1 1 201 . 3 1 1 A 16 16 ILE CB C 16 35.856 37.990 -2.134 1 1 205 . 3 1 1 A 16 16 ILE N N 16 119.875 122.787 -2.912 1 1 206 . 3 1 1 A 17 17 GLU H H 17 8.844 7.934 0.910 1 1 207 . 3 1 1 A 17 17 GLU HA H 17 3.887 3.892 -0.005 1 1 212 . 3 1 1 A 17 17 GLU C C 17 179.739 179.352 0.387 1 1 213 . 3 1 1 A 17 17 GLU CA C 17 60.364 59.672 0.692 1 1 214 . 3 1 1 A 17 17 GLU CB C 17 28.670 29.251 -0.581 1 1 216 . 3 1 1 A 17 17 GLU N N 17 120.080 118.988 1.092 1 1 217 . 3 1 1 A 18 18 ASN H H 18 7.768 7.999 -0.231 1 1 218 . 3 1 1 A 18 18 ASN HA H 18 4.535 4.408 0.127 1 1 223 . 3 1 1 A 18 18 ASN C C 18 178.197 177.773 0.424 1 1 224 . 3 1 1 A 18 18 ASN CA C 18 55.682 56.210 -0.528 1 1 225 . 3 1 1 A 18 18 ASN CB C 18 37.615 38.093 -0.478 1 1 226 . 3 1 1 A 18 18 ASN N N 18 116.056 118.655 -2.599 1 1 228 . 3 1 1 A 19 19 ALA H H 19 7.989 7.623 0.366 1 1 229 . 3 1 1 A 19 19 ALA HA H 19 3.870 4.002 -0.132 1 1 233 . 3 1 1 A 19 19 ALA C C 19 178.732 179.764 -1.032 1 1 234 . 3 1 1 A 19 19 ALA CA C 19 55.543 55.115 0.428 1 1 235 . 3 1 1 A 19 19 ALA CB C 19 18.362 18.522 -0.160 1 1 236 . 3 1 1 A 19 19 ALA N N 19 123.900 122.771 1.129 1 1 237 . 3 1 1 A 20 20 LEU H H 20 8.589 8.573 0.016 1 1 238 . 3 1 1 A 20 20 LEU HA H 20 3.856 3.743 0.113 1 1 248 . 3 1 1 A 20 20 LEU C C 20 179.139 179.318 -0.179 1 1 249 . 3 1 1 A 20 20 LEU CA C 20 58.169 58.042 0.127 1 1 250 . 3 1 1 A 20 20 LEU CB C 20 41.569 41.492 0.077 1 1 254 . 3 1 1 A 20 20 LEU N N 20 117.052 117.902 -0.850 1 1 255 . 3 1 1 A 21 21 GLN H H 21 7.439 8.306 -0.867 1 1 256 . 3 1 1 A 21 21 GLN HA H 21 4.029 4.176 -0.147 1 1 263 . 3 1 1 A 21 21 GLN C C 21 178.411 177.982 0.429 1 1 264 . 3 1 1 A 21 21 GLN CA C 21 58.730 58.520 0.210 1 1 265 . 3 1 1 A 21 21 GLN CB C 21 28.002 27.938 0.064 1 1 267 . 3 1 1 A 21 21 GLN N N 21 118.218 117.220 0.998 1 1 269 . 3 1 1 A 22 22 ALA H H 22 7.848 7.680 0.168 1 1 270 . 3 1 1 A 22 22 ALA HA H 22 4.191 4.127 0.064 1 1 274 . 3 1 1 A 22 22 ALA C C 22 181.475 180.180 1.295 1 1 275 . 3 1 1 A 22 22 ALA CA C 22 54.631 54.690 -0.059 1 1 276 . 3 1 1 A 22 22 ALA CB C 22 17.907 18.279 -0.372 1 1 277 . 3 1 1 A 22 22 ALA N N 22 121.474 122.143 -0.669 1 1 278 . 3 1 1 A 23 23 LEU H H 23 8.751 8.261 0.490 1 1 279 . 3 1 1 A 23 23 LEU HA H 23 3.906 3.903 0.003 1 1 289 . 3 1 1 A 23 23 LEU C C 23 177.996 178.987 -0.991 1 1 290 . 3 1 1 A 23 23 LEU CA C 23 58.155 58.144 0.011 1 1 291 . 3 1 1 A 23 23 LEU CB C 23 42.020 41.600 0.420 1 1 295 . 3 1 1 A 23 23 LEU N N 23 122.246 120.277 1.969 1 1 296 . 3 1 1 A 24 24 GLU H H 24 8.247 8.321 -0.074 1 1 297 . 3 1 1 A 24 24 GLU HA H 24 3.971 3.991 -0.020 1 1 302 . 3 1 1 A 24 24 GLU C C 24 179.751 178.571 1.180 1 1 303 . 3 1 1 A 24 24 GLU CA C 24 59.506 58.875 0.631 1 1 304 . 3 1 1 A 24 24 GLU CB C 24 28.849 28.914 -0.065 1 1 306 . 3 1 1 A 24 24 GLU N N 24 119.875 118.012 1.863 1 1 307 . 3 1 1 A 25 25 GLU H H 25 7.736 7.900 -0.164 1 1 308 . 3 1 1 A 25 25 GLU HA H 25 4.013 4.039 -0.026 1 1 313 . 3 1 1 A 25 25 GLU C C 25 179.204 179.068 0.136 1 1 314 . 3 1 1 A 25 25 GLU CA C 25 59.058 59.258 -0.200 1 1 315 . 3 1 1 A 25 25 GLU CB C 25 29.238 29.437 -0.199 1 1 317 . 3 1 1 A 25 25 GLU N N 25 118.451 119.846 -1.395 1 1 318 . 3 1 1 A 26 26 PHE H H 26 8.389 8.129 0.260 1 1 319 . 3 1 1 A 26 26 PHE HA H 26 4.218 4.107 0.111 1 1 327 . 3 1 1 A 26 26 PHE C C 26 178.732 177.026 1.706 1 1 328 . 3 1 1 A 26 26 PHE CA C 26 61.020 61.357 -0.337 1 1 329 . 3 1 1 A 26 26 PHE CB C 26 39.383 39.510 -0.127 1 1 333 . 3 1 1 A 26 26 PHE N N 26 122.243 121.783 0.460 1 1 334 . 3 1 1 A 27 27 LEU H H 27 8.643 8.626 0.017 1 1 335 . 3 1 1 A 27 27 LEU HA H 27 3.666 3.921 -0.255 1 1 345 . 3 1 1 A 27 27 LEU C C 27 179.172 179.115 0.057 1 1 346 . 3 1 1 A 27 27 LEU CA C 27 57.728 57.598 0.130 1 1 347 . 3 1 1 A 27 27 LEU CB C 27 42.008 41.225 0.783 1 1 351 . 3 1 1 A 27 27 LEU N N 27 119.374 118.898 0.476 1 1 352 . 3 1 1 A 28 28 GLN H H 28 7.536 7.529 0.007 1 1 353 . 3 1 1 A 28 28 GLN HA H 28 4.215 4.195 0.020 1 1 360 . 3 1 1 A 28 28 GLN C C 28 177.261 176.758 0.503 1 1 361 . 3 1 1 A 28 28 GLN CA C 28 57.287 58.023 -0.736 1 1 362 . 3 1 1 A 28 28 GLN CB C 28 28.832 28.754 0.078 1 1 364 . 3 1 1 A 28 28 GLN N N 28 116.095 116.924 -0.829 1 1 366 . 3 1 1 A 29 29 THR H H 29 7.480 7.933 -0.453 1 1 367 . 3 1 1 A 29 29 THR HA H 29 4.332 4.489 -0.157 1 1 372 . 3 1 1 A 29 29 THR C C 29 174.092 173.963 0.129 1 1 373 . 3 1 1 A 29 29 THR CA C 29 62.533 63.617 -1.084 1 1 374 . 3 1 1 A 29 29 THR CB C 29 70.435 70.599 -0.164 1 1 376 . 3 1 1 A 29 29 THR N N 29 108.609 114.065 -5.456 1 1 377 . 3 1 1 A 30 30 GLU H H 30 7.935 7.860 0.075 1 1 378 . 3 1 1 A 30 30 GLU HA H 30 4.221 4.592 -0.371 1 1 383 . 3 1 1 A 30 30 GLU CA C 30 54.719 53.750 0.969 1 1 384 . 3 1 1 A 30 30 GLU CB C 30 28.002 29.588 -1.586 1 1 386 . 3 1 1 A 30 30 GLU N N 30 119.400 118.609 0.791 1 1 387 . 3 1 1 A 31 31 PRO HA H 31 4.430 4.393 0.037 1 1 394 . 3 1 1 A 31 31 PRO C C 31 177.447 177.466 -0.019 1 1 395 . 3 1 1 A 31 31 PRO CA C 31 62.992 64.293 -1.301 1 1 396 . 3 1 1 A 31 31 PRO CB C 31 32.354 31.990 0.364 1 1 399 . 3 1 1 A 32 32 VAL H H 32 7.989 7.830 0.159 1 1 400 . 3 1 1 A 32 32 VAL HA H 32 4.211 3.896 0.315 1 1 408 . 3 1 1 A 32 32 VAL C C 32 176.778 177.193 -0.415 1 1 409 . 3 1 1 A 32 32 VAL CA C 32 62.755 64.847 -2.092 1 1 410 . 3 1 1 A 32 32 VAL CB C 32 32.697 31.583 1.114 1 1 412 . 3 1 1 A 32 32 VAL N N 32 118.439 116.915 1.524 1 1 413 . 3 1 1 A 33 33 GLY H H 33 8.764 7.955 0.809 1 1 414 . 3 1 1 A 33 33 GLY HA2 H 33 4.195 4.217 -0.022 1 1 415 . 3 1 1 A 33 33 GLY HA3 H 33 4.195 4.330 -0.135 1 1 416 . 3 1 1 A 33 33 GLY C C 33 176.287 175.266 1.021 1 1 417 . 3 1 1 A 33 33 GLY CA C 33 45.917 45.783 0.134 1 1 418 . 3 1 1 A 33 33 GLY N N 33 111.588 108.084 3.504 1 1 419 . 3 1 1 A 34 34 LYS H H 34 8.296 7.565 0.731 1 1 420 . 3 1 1 A 34 34 LYS HA H 34 3.839 4.265 -0.426 1 1 429 . 3 1 1 A 34 34 LYS C C 34 177.040 179.325 -2.285 1 1 430 . 3 1 1 A 34 34 LYS CA C 34 59.883 59.607 0.276 1 1 431 . 3 1 1 A 34 34 LYS CB C 34 32.883 32.154 0.729 1 1 435 . 3 1 1 A 34 34 LYS N N 34 119.887 119.370 0.517 1 1 436 . 3 1 1 A 35 35 ASP H H 35 9.065 8.729 0.336 1 1 437 . 3 1 1 A 35 35 ASP HA H 35 4.362 4.532 -0.170 1 1 440 . 3 1 1 A 35 35 ASP C C 35 177.018 178.549 -1.531 1 1 441 . 3 1 1 A 35 35 ASP CA C 35 57.636 57.253 0.383 1 1 442 . 3 1 1 A 35 35 ASP CB C 35 41.086 39.881 1.205 1 1 443 . 3 1 1 A 35 35 ASP N N 35 115.065 118.526 -3.461 1 1 444 . 3 1 1 A 36 36 GLU H H 36 7.474 8.349 -0.875 1 1 445 . 3 1 1 A 36 36 GLU HA H 36 4.275 4.088 0.187 1 1 450 . 3 1 1 A 36 36 GLU C C 36 178.261 178.416 -0.155 1 1 451 . 3 1 1 A 36 36 GLU CA C 36 59.046 59.511 -0.465 1 1 452 . 3 1 1 A 36 36 GLU CB C 36 29.283 29.523 -0.240 1 1 454 . 3 1 1 A 36 36 GLU N N 36 121.291 120.439 0.852 1 1 455 . 3 1 1 A 37 37 ALA H H 37 7.674 7.731 -0.057 1 1 456 . 3 1 1 A 37 37 ALA HA H 37 3.887 4.031 -0.144 1 1 460 . 3 1 1 A 37 37 ALA C C 37 179.161 179.749 -0.588 1 1 461 . 3 1 1 A 37 37 ALA CA C 37 55.091 55.092 -0.001 1 1 462 . 3 1 1 A 37 37 ALA CB C 37 17.925 18.479 -0.554 1 1 463 . 3 1 1 A 37 37 ALA N N 37 120.365 122.585 -2.220 1 1 464 . 3 1 1 A 38 38 TYR H H 38 8.175 8.726 -0.551 1 1 465 . 3 1 1 A 38 38 TYR HA H 38 4.422 4.396 0.026 1 1 472 . 3 1 1 A 38 38 TYR C C 38 178.497 178.524 -0.027 1 1 473 . 3 1 1 A 38 38 TYR CA C 38 62.662 60.851 1.811 1 1 474 . 3 1 1 A 38 38 TYR CB C 38 37.996 37.879 0.117 1 1 477 . 3 1 1 A 38 38 TYR N N 38 117.027 116.268 0.759 1 1 478 . 3 1 1 A 39 39 TYR H H 39 8.321 8.126 0.195 1 1 479 . 3 1 1 A 39 39 TYR HA H 39 4.413 4.374 0.039 1 1 486 . 3 1 1 A 39 39 TYR C C 39 176.311 177.131 -0.820 1 1 487 . 3 1 1 A 39 39 TYR CA C 39 60.856 61.809 -0.953 1 1 488 . 3 1 1 A 39 39 TYR CB C 39 38.015 39.011 -0.996 1 1 491 . 3 1 1 A 39 39 TYR N N 39 120.527 120.964 -0.437 1 1 492 . 3 1 1 A 40 40 LEU H H 40 8.508 8.630 -0.122 1 1 493 . 3 1 1 A 40 40 LEU HA H 40 3.585 3.847 -0.262 1 1 503 . 3 1 1 A 40 40 LEU C C 40 178.857 179.189 -0.332 1 1 504 . 3 1 1 A 40 40 LEU CA C 40 57.723 57.853 -0.130 1 1 505 . 3 1 1 A 40 40 LEU CB C 40 41.543 41.388 0.155 1 1 509 . 3 1 1 A 40 40 LEU N N 40 118.925 120.618 -1.693 1 1 510 . 3 1 1 A 41 41 MET H H 41 8.661 8.574 0.087 1 1 511 . 3 1 1 A 41 41 MET HA H 41 3.611 3.888 -0.277 1 1 519 . 3 1 1 A 41 41 MET C C 41 178.325 178.847 -0.522 1 1 520 . 3 1 1 A 41 41 MET CA C 41 59.498 59.096 0.402 1 1 521 . 3 1 1 A 41 41 MET CB C 41 32.806 32.629 0.177 1 1 524 . 3 1 1 A 41 41 MET N N 41 119.892 117.539 2.353 1 1 525 . 3 1 1 A 42 42 GLY H H 42 8.531 8.426 0.105 1 1 526 . 3 1 1 A 42 42 GLY HA2 H 42 3.564 2.999 0.565 1 1 527 . 3 1 1 A 42 42 GLY HA3 H 42 3.164 3.719 -0.555 1 1 528 . 3 1 1 A 42 42 GLY C C 42 174.726 175.598 -0.872 1 1 529 . 3 1 1 A 42 42 GLY CA C 42 48.104 47.054 1.050 1 1 530 . 3 1 1 A 42 42 GLY N N 42 107.064 108.546 -1.482 1 1 531 . 3 1 1 A 43 43 ASN H H 43 8.260 8.484 -0.224 1 1 532 . 3 1 1 A 43 43 ASN HA H 43 4.334 4.495 -0.161 1 1 537 . 3 1 1 A 43 43 ASN C C 43 178.111 177.316 0.795 1 1 538 . 3 1 1 A 43 43 ASN CA C 43 54.966 56.505 -1.539 1 1 539 . 3 1 1 A 43 43 ASN CB C 43 36.326 39.218 -2.892 1 1 540 . 3 1 1 A 43 43 ASN N N 43 120.815 119.761 1.054 1 1 542 . 3 1 1 A 44 44 ALA H H 44 8.487 7.774 0.713 1 1 543 . 3 1 1 A 44 44 ALA HA H 44 3.788 3.971 -0.183 1 1 547 . 3 1 1 A 44 44 ALA C C 44 178.389 179.123 -0.734 1 1 548 . 3 1 1 A 44 44 ALA CA C 44 55.152 54.927 0.225 1 1 549 . 3 1 1 A 44 44 ALA CB C 44 16.897 18.198 -1.301 1 1 550 . 3 1 1 A 44 44 ALA N N 44 125.304 122.317 2.987 1 1 551 . 3 1 1 A 45 45 TYR H H 45 8.160 7.835 0.325 1 1 552 . 3 1 1 A 45 45 TYR HA H 45 4.168 4.230 -0.062 1 1 559 . 3 1 1 A 45 45 TYR C C 45 178.775 178.963 -0.188 1 1 560 . 3 1 1 A 45 45 TYR CA C 45 62.995 61.732 1.263 1 1 561 . 3 1 1 A 45 45 TYR CB C 45 36.944 37.754 -0.810 1 1 564 . 3 1 1 A 45 45 TYR N N 45 115.156 116.013 -0.857 1 1 565 . 3 1 1 A 46 46 ARG H H 46 8.901 8.398 0.503 1 1 566 . 3 1 1 A 46 46 ARG HA H 46 3.677 3.672 0.005 1 1 573 . 3 1 1 A 46 46 ARG C C 46 179.396 177.959 1.437 1 1 574 . 3 1 1 A 46 46 ARG CA C 46 59.924 58.634 1.290 1 1 575 . 3 1 1 A 46 46 ARG CB C 46 30.131 29.962 0.169 1 1 578 . 3 1 1 A 46 46 ARG N N 46 121.781 118.824 2.957 1 1 579 . 3 1 1 A 47 47 LYS H H 47 7.813 7.405 0.408 1 1 580 . 3 1 1 A 47 47 LYS HA H 47 4.058 3.959 0.099 1 1 589 . 3 1 1 A 47 47 LYS C C 47 178.111 179.497 -1.386 1 1 590 . 3 1 1 A 47 47 LYS CA C 47 58.950 59.454 -0.504 1 1 591 . 3 1 1 A 47 47 LYS CB C 47 31.906 32.502 -0.596 1 1 595 . 3 1 1 A 47 47 LYS N N 47 120.818 118.555 2.263 1 1 596 . 3 1 1 A 48 48 LEU H H 48 7.312 7.230 0.082 1 1 597 . 3 1 1 A 48 48 LEU HA H 48 4.228 4.008 0.220 1 1 607 . 3 1 1 A 48 48 LEU C C 48 177.254 177.324 -0.070 1 1 608 . 3 1 1 A 48 48 LEU CA C 48 54.908 56.041 -1.133 1 1 609 . 3 1 1 A 48 48 LEU CB C 48 42.475 43.878 -1.403 1 1 613 . 3 1 1 A 48 48 LEU N N 48 116.553 117.487 -0.934 1 1 614 . 3 1 1 A 49 49 GLY H H 49 7.564 7.695 -0.131 1 1 615 . 3 1 1 A 49 49 GLY HA2 H 49 3.607 3.402 0.205 1 1 616 . 3 1 1 A 49 49 GLY HA3 H 49 2.316 3.774 -1.458 1 1 617 . 3 1 1 A 49 49 GLY C C 49 172.900 173.374 -0.474 1 1 618 . 3 1 1 A 49 49 GLY CA C 49 44.184 44.521 -0.337 1 1 619 . 3 1 1 A 49 49 GLY N N 49 107.326 105.695 1.631 1 1 620 . 3 1 1 A 50 50 ASP H H 50 7.670 7.651 0.019 1 1 621 . 3 1 1 A 50 50 ASP HA H 50 4.564 4.564 0.000 1 1 624 . 3 1 1 A 50 50 ASP C C 50 175.681 176.342 -0.661 1 1 625 . 3 1 1 A 50 50 ASP CA C 50 51.083 52.746 -1.663 1 1 626 . 3 1 1 A 50 50 ASP CB C 50 39.169 40.131 -0.962 1 1 627 . 3 1 1 A 50 50 ASP N N 50 120.356 120.221 0.135 1 1 628 . 3 1 1 A 51 51 TRP H H 51 6.939 8.105 -1.166 1 1 629 . 3 1 1 A 51 51 TRP HA H 51 4.314 4.446 -0.132 1 1 638 . 3 1 1 A 51 51 TRP C C 51 178.047 178.842 -0.795 1 1 639 . 3 1 1 A 51 51 TRP CA C 51 58.473 59.649 -1.176 1 1 640 . 3 1 1 A 51 51 TRP CB C 51 30.099 29.077 1.022 1 1 646 . 3 1 1 A 51 51 TRP N N 51 121.784 125.208 -3.424 1 1 648 . 3 1 1 A 52 52 GLN H H 52 8.677 8.283 0.394 1 1 649 . 3 1 1 A 52 52 GLN HA H 52 3.960 4.146 -0.186 1 1 656 . 3 1 1 A 52 52 GLN C C 52 178.454 178.236 0.218 1 1 657 . 3 1 1 A 52 52 GLN CA C 52 58.925 58.733 0.192 1 1 658 . 3 1 1 A 52 52 GLN CB C 52 28.183 28.274 -0.091 1 1 660 . 3 1 1 A 52 52 GLN N N 52 117.018 117.623 -0.605 1 1 662 . 3 1 1 A 53 53 LYS H H 53 7.392 8.261 -0.869 1 1 663 . 3 1 1 A 53 53 LYS HA H 53 3.774 3.771 0.003 1 1 672 . 3 1 1 A 53 53 LYS C C 53 180.361 178.715 1.646 1 1 673 . 3 1 1 A 53 53 LYS CA C 53 59.764 58.915 0.849 1 1 674 . 3 1 1 A 53 53 LYS CB C 53 30.802 31.397 -0.595 1 1 678 . 3 1 1 A 53 53 LYS N N 53 117.913 119.407 -1.494 1 1 679 . 3 1 1 A 54 54 ALA H H 54 8.223 7.455 0.768 1 1 680 . 3 1 1 A 54 54 ALA HA H 54 4.012 3.873 0.139 1 1 684 . 3 1 1 A 54 54 ALA C C 54 177.635 179.942 -2.307 1 1 685 . 3 1 1 A 54 54 ALA CA C 54 55.792 55.024 0.768 1 1 686 . 3 1 1 A 54 54 ALA CB C 54 17.045 18.396 -1.351 1 1 687 . 3 1 1 A 54 54 ALA N N 54 123.665 121.826 1.839 1 1 688 . 3 1 1 A 55 55 LEU H H 55 8.425 8.559 -0.134 1 1 689 . 3 1 1 A 55 55 LEU HA H 55 4.010 4.032 -0.022 1 1 699 . 3 1 1 A 55 55 LEU C C 55 179.568 179.398 0.170 1 1 700 . 3 1 1 A 55 55 LEU CA C 55 58.611 58.253 0.358 1 1 701 . 3 1 1 A 55 55 LEU CB C 55 41.500 42.052 -0.552 1 1 705 . 3 1 1 A 55 55 LEU N N 55 116.583 118.359 -1.776 1 1 706 . 3 1 1 A 56 56 ASN H H 56 8.284 8.349 -0.065 1 1 707 . 3 1 1 A 56 56 ASN HA H 56 4.360 4.497 -0.137 1 1 712 . 3 1 1 A 56 56 ASN C C 56 177.790 178.600 -0.810 1 1 713 . 3 1 1 A 56 56 ASN CA C 56 55.852 56.692 -0.840 1 1 714 . 3 1 1 A 56 56 ASN CB C 56 37.882 37.853 0.029 1 1 715 . 3 1 1 A 56 56 ASN N N 56 117.763 117.660 0.103 1 1 717 . 3 1 1 A 57 57 ASN H H 57 7.600 7.655 -0.055 1 1 718 . 3 1 1 A 57 57 ASN HA H 57 4.425 4.581 -0.156 1 1 723 . 3 1 1 A 57 57 ASN C C 57 177.404 178.215 -0.811 1 1 724 . 3 1 1 A 57 57 ASN CA C 57 58.105 56.273 1.832 1 1 725 . 3 1 1 A 57 57 ASN CB C 57 38.931 38.613 0.318 1 1 726 . 3 1 1 A 57 57 ASN N N 57 118.927 117.428 1.499 1 1 728 . 3 1 1 A 58 58 TYR H H 58 8.838 8.292 0.546 1 1 729 . 3 1 1 A 58 58 TYR HA H 58 4.667 4.373 0.294 1 1 736 . 3 1 1 A 58 58 TYR C C 58 178.047 178.518 -0.471 1 1 737 . 3 1 1 A 58 58 TYR CA C 58 58.430 61.754 -3.324 1 1 738 . 3 1 1 A 58 58 TYR CB C 58 36.743 38.009 -1.266 1 1 741 . 3 1 1 A 58 58 TYR N N 58 118.473 119.235 -0.762 1 1 742 . 3 1 1 A 59 59 GLN H H 59 8.572 8.509 0.063 1 1 743 . 3 1 1 A 59 59 GLN HA H 59 4.022 4.095 -0.073 1 1 750 . 3 1 1 A 59 59 GLN C C 59 178.040 178.255 -0.215 1 1 751 . 3 1 1 A 59 59 GLN CA C 59 59.054 59.129 -0.075 1 1 752 . 3 1 1 A 59 59 GLN CB C 59 27.126 28.556 -1.430 1 1 754 . 3 1 1 A 59 59 GLN N N 59 118.483 120.031 -1.548 1 1 756 . 3 1 1 A 60 60 SER H H 60 7.696 7.776 -0.080 1 1 757 . 3 1 1 A 60 60 SER HA H 60 3.931 3.963 -0.032 1 1 760 . 3 1 1 A 60 60 SER C C 60 175.926 176.139 -0.213 1 1 761 . 3 1 1 A 60 60 SER CA C 60 62.121 61.468 0.653 1 1 762 . 3 1 1 A 60 60 SER CB C 60 61.244 62.143 -0.899 1 1 763 . 3 1 1 A 60 60 SER N N 60 116.103 117.278 -1.175 1 1 764 . 3 1 1 A 61 61 ALA H H 61 7.739 7.501 0.238 1 1 765 . 3 1 1 A 61 61 ALA HA H 61 4.075 4.215 -0.140 1 1 769 . 3 1 1 A 61 61 ALA C C 61 178.686 179.928 -1.242 1 1 770 . 3 1 1 A 61 61 ALA CA C 61 56.019 55.134 0.885 1 1 771 . 3 1 1 A 61 61 ALA CB C 61 18.790 18.620 0.170 1 1 772 . 3 1 1 A 61 61 ALA N N 61 122.319 122.888 -0.569 1 1 773 . 3 1 1 A 62 62 ILE H H 62 7.991 7.929 0.062 1 1 774 . 3 1 1 A 62 62 ILE HA H 62 3.857 3.611 0.246 1 1 784 . 3 1 1 A 62 62 ILE C C 62 178.131 177.452 0.679 1 1 785 . 3 1 1 A 62 62 ILE CA C 62 63.418 65.234 -1.816 1 1 786 . 3 1 1 A 62 62 ILE CB C 62 39.119 37.764 1.355 1 1 790 . 3 1 1 A 62 62 ILE N N 62 117.981 119.117 -1.136 1 1 791 . 3 1 1 A 63 63 GLU H H 63 7.988 8.072 -0.084 1 1 792 . 3 1 1 A 63 63 GLU HA H 63 3.902 4.236 -0.334 1 1 797 . 3 1 1 A 63 63 GLU C C 63 178.564 177.941 0.623 1 1 798 . 3 1 1 A 63 63 GLU CA C 63 58.594 58.326 0.268 1 1 799 . 3 1 1 A 63 63 GLU CB C 63 29.278 29.705 -0.427 1 1 801 . 3 1 1 A 63 63 GLU N N 63 118.190 119.598 -1.408 1 1 802 . 3 1 1 A 64 64 LEU H H 64 7.024 7.442 -0.418 1 1 803 . 3 1 1 A 64 64 LEU HA H 64 4.347 4.278 0.069 1 1 813 . 3 1 1 A 64 64 LEU C C 64 177.496 177.127 0.369 1 1 814 . 3 1 1 A 64 64 LEU CA C 64 55.810 56.319 -0.509 1 1 815 . 3 1 1 A 64 64 LEU CB C 64 43.746 43.269 0.477 1 1 819 . 3 1 1 A 64 64 LEU N N 64 116.109 118.684 -2.575 1 1 820 . 3 1 1 A 65 65 ASN H H 65 8.270 8.467 -0.197 1 1 821 . 3 1 1 A 65 65 ASN HA H 65 5.068 5.124 -0.056 1 1 826 . 3 1 1 A 65 65 ASN C C 65 172.512 173.618 -1.106 1 1 827 . 3 1 1 A 65 65 ASN CA C 65 49.457 49.827 -0.370 1 1 828 . 3 1 1 A 65 65 ASN CB C 65 38.936 39.930 -0.994 1 1 829 . 3 1 1 A 65 65 ASN N N 65 116.544 115.186 1.358 1 1 831 . 3 1 1 A 66 66 PRO HA H 66 4.467 4.596 -0.129 1 1 838 . 3 1 1 A 66 66 PRO C C 66 176.054 176.850 -0.796 1 1 839 . 3 1 1 A 66 66 PRO CA C 66 63.894 64.392 -0.498 1 1 840 . 3 1 1 A 66 66 PRO CB C 66 31.935 31.941 -0.006 1 1 843 . 3 1 1 A 67 67 ASP H H 67 7.326 7.746 -0.420 1 1 844 . 3 1 1 A 67 67 ASP HA H 67 4.863 4.783 0.080 1 1 847 . 3 1 1 A 67 67 ASP C C 67 175.647 175.527 0.120 1 1 848 . 3 1 1 A 67 67 ASP CA C 67 53.273 53.739 -0.466 1 1 849 . 3 1 1 A 67 67 ASP CB C 67 41.453 41.158 0.295 1 1 850 . 3 1 1 A 67 67 ASP N N 67 114.579 117.498 -2.919 1 1 851 . 3 1 1 A 68 68 SER H H 68 7.670 7.323 0.347 1 1 852 . 3 1 1 A 68 68 SER HA H 68 4.315 4.718 -0.403 1 1 856 . 3 1 1 A 68 68 SER C C 68 175.108 174.692 0.416 1 1 857 . 3 1 1 A 68 68 SER CA C 68 56.422 56.632 -0.210 1 1 858 . 3 1 1 A 68 68 SER CB C 68 63.880 63.285 0.595 1 1 859 . 3 1 1 A 68 68 SER N N 68 115.624 114.913 0.711 1 1 860 . 3 1 1 A 69 69 PRO HA H 69 4.588 4.370 0.218 1 1 867 . 3 1 1 A 69 69 PRO C C 69 177.083 177.319 -0.236 1 1 868 . 3 1 1 A 69 69 PRO CA C 69 63.870 64.143 -0.273 1 1 869 . 3 1 1 A 69 69 PRO CB C 69 30.612 31.285 -0.673 1 1 872 . 3 1 1 A 70 70 ALA H H 70 8.442 8.142 0.300 1 1 873 . 3 1 1 A 70 70 ALA HA H 70 3.679 4.246 -0.567 1 1 877 . 3 1 1 A 70 70 ALA C C 70 177.667 179.968 -2.301 1 1 878 . 3 1 1 A 70 70 ALA CA C 70 54.025 54.328 -0.303 1 1 879 . 3 1 1 A 70 70 ALA CB C 70 20.741 18.919 1.822 1 1 880 . 3 1 1 A 70 70 ALA N N 70 121.749 120.541 1.208 1 1 881 . 3 1 1 A 71 71 LEU H H 71 7.956 7.948 0.008 1 1 882 . 3 1 1 A 71 71 LEU HA H 71 3.883 4.065 -0.182 1 1 892 . 3 1 1 A 71 71 LEU C C 71 179.241 178.431 0.810 1 1 893 . 3 1 1 A 71 71 LEU CA C 71 58.602 58.140 0.462 1 1 894 . 3 1 1 A 71 71 LEU CB C 71 41.987 41.550 0.437 1 1 898 . 3 1 1 A 71 71 LEU N N 71 119.448 121.087 -1.639 1 1 899 . 3 1 1 A 72 72 GLN H H 72 7.464 7.844 -0.380 1 1 900 . 3 1 1 A 72 72 GLN HA H 72 4.049 4.101 -0.052 1 1 907 . 3 1 1 A 72 72 GLN C C 72 178.432 178.616 -0.184 1 1 908 . 3 1 1 A 72 72 GLN CA C 72 58.626 58.802 -0.176 1 1 909 . 3 1 1 A 72 72 GLN CB C 72 27.557 27.638 -0.081 1 1 911 . 3 1 1 A 72 72 GLN N N 72 117.976 117.737 0.239 1 1 913 . 3 1 1 A 73 73 ALA H H 73 7.296 7.876 -0.580 1 1 914 . 3 1 1 A 73 73 ALA HA H 73 4.017 3.891 0.126 1 1 918 . 3 1 1 A 73 73 ALA C C 73 178.775 178.965 -0.190 1 1 919 . 3 1 1 A 73 73 ALA CA C 73 54.688 55.141 -0.453 1 1 920 . 3 1 1 A 73 73 ALA CB C 73 17.473 17.567 -0.094 1 1 921 . 3 1 1 A 73 73 ALA N N 73 123.083 122.788 0.295 1 1 922 . 3 1 1 A 74 74 ARG H H 74 8.328 7.819 0.509 1 1 923 . 3 1 1 A 74 74 ARG HA H 74 3.820 4.274 -0.454 1 1 931 . 3 1 1 A 74 74 ARG C C 74 177.297 178.662 -1.365 1 1 932 . 3 1 1 A 74 74 ARG CA C 74 59.805 59.498 0.307 1 1 933 . 3 1 1 A 74 74 ARG CB C 74 29.773 29.896 -0.123 1 1 936 . 3 1 1 A 74 74 ARG N N 74 117.535 118.208 -0.673 1 1 938 . 3 1 1 A 75 75 LYS H H 75 7.123 7.593 -0.470 1 1 939 . 3 1 1 A 75 75 LYS HA H 75 3.960 4.110 -0.150 1 1 948 . 3 1 1 A 75 75 LYS C C 75 178.071 178.488 -0.417 1 1 949 . 3 1 1 A 75 75 LYS CA C 75 59.488 59.281 0.207 1 1 950 . 3 1 1 A 75 75 LYS CB C 75 31.928 32.014 -0.086 1 1 954 . 3 1 1 A 75 75 LYS N N 75 119.136 119.239 -0.103 1 1 955 . 3 1 1 A 76 76 MET H H 76 7.673 8.181 -0.508 1 1 956 . 3 1 1 A 76 76 MET HA H 76 4.205 4.110 0.095 1 1 964 . 3 1 1 A 76 76 MET C C 76 178.925 178.042 0.883 1 1 965 . 3 1 1 A 76 76 MET CA C 76 58.637 58.677 -0.040 1 1 966 . 3 1 1 A 76 76 MET CB C 76 32.344 32.344 0.000 1 1 969 . 3 1 1 A 76 76 MET N N 76 116.794 119.151 -2.357 1 1 970 . 3 1 1 A 77 77 VAL H H 77 7.928 8.128 -0.200 1 1 971 . 3 1 1 A 77 77 VAL HA H 77 3.601 3.450 0.151 1 1 979 . 3 1 1 A 77 77 VAL C C 77 177.318 178.205 -0.887 1 1 980 . 3 1 1 A 77 77 VAL CA C 77 66.468 66.636 -0.168 1 1 981 . 3 1 1 A 77 77 VAL CB C 77 31.477 31.869 -0.392 1 1 984 . 3 1 1 A 77 77 VAL N N 77 117.999 118.955 -0.956 1 1 985 . 3 1 1 A 78 78 MET H H 78 8.446 8.432 0.014 1 1 986 . 3 1 1 A 78 78 MET HA H 78 4.136 4.216 -0.080 1 1 994 . 3 1 1 A 78 78 MET C C 78 178.542 177.704 0.838 1 1 995 . 3 1 1 A 78 78 MET CA C 78 58.514 58.264 0.250 1 1 996 . 3 1 1 A 78 78 MET CB C 78 31.036 32.701 -1.665 1 1 999 . 3 1 1 A 78 78 MET N N 78 119.079 118.761 0.318 1 1 1000 . 3 1 1 A 79 79 ASP H H 79 8.202 8.189 0.013 1 1 1001 . 3 1 1 A 79 79 ASP HA H 79 4.419 4.247 0.172 1 1 1004 . 3 1 1 A 79 79 ASP C C 79 179.097 178.368 0.729 1 1 1005 . 3 1 1 A 79 79 ASP CA C 79 57.277 57.127 0.150 1 1 1006 . 3 1 1 A 79 79 ASP CB C 79 39.813 40.777 -0.964 1 1 1007 . 3 1 1 A 79 79 ASP N N 79 119.422 120.123 -0.701 1 1 1008 . 3 1 1 A 80 80 ILE H H 80 7.625 7.866 -0.241 1 1 1009 . 3 1 1 A 80 80 ILE HA H 80 3.643 3.270 0.373 1 1 1019 . 3 1 1 A 80 80 ILE C C 80 178.024 177.763 0.261 1 1 1020 . 3 1 1 A 80 80 ILE CA C 80 64.717 65.048 -0.331 1 1 1021 . 3 1 1 A 80 80 ILE CB C 80 37.661 37.175 0.486 1 1 1025 . 3 1 1 A 80 80 ILE N N 80 121.750 119.787 1.963 1 1 1026 . 3 1 1 A 81 81 LEU H H 81 8.071 7.885 0.186 1 1 1027 . 3 1 1 A 81 81 LEU HA H 81 3.908 3.644 0.264 1 1 1037 . 3 1 1 A 81 81 LEU C C 81 178.852 178.795 0.057 1 1 1038 . 3 1 1 A 81 81 LEU CA C 81 57.329 57.784 -0.455 1 1 1039 . 3 1 1 A 81 81 LEU CB C 81 41.544 41.039 0.505 1 1 1043 . 3 1 1 A 81 81 LEU N N 81 119.850 119.170 0.680 1 1 1044 . 3 1 1 A 82 82 ASN H H 82 8.188 7.696 0.492 1 1 1045 . 3 1 1 A 82 82 ASN HA H 82 4.417 3.914 0.503 1 1 1050 . 3 1 1 A 82 82 ASN C C 82 176.440 177.378 -0.938 1 1 1051 . 3 1 1 A 82 82 ASN CA C 82 55.011 55.824 -0.813 1 1 1052 . 3 1 1 A 82 82 ASN CB C 82 38.461 38.475 -0.014 1 1 1053 . 3 1 1 A 82 82 ASN N N 82 116.186 117.087 -0.901 1 1 1055 . 3 1 1 A 83 83 PHE H H 83 7.779 8.198 -0.419 1 1 1056 . 3 1 1 A 83 83 PHE HA H 83 4.352 4.151 0.201 1 1 1064 . 3 1 1 A 83 83 PHE C C 83 176.767 177.003 -0.236 1 1 1065 . 3 1 1 A 83 83 PHE CA C 83 59.557 61.168 -1.611 1 1 1066 . 3 1 1 A 83 83 PHE CB C 83 38.944 38.632 0.312 1 1 1070 . 3 1 1 A 83 83 PHE N N 83 118.925 119.883 -0.958 1 1 1071 . 3 1 1 A 84 84 TYR H H 84 8.057 8.290 -0.233 1 1 1072 . 3 1 1 A 84 84 TYR HA H 84 4.388 4.233 0.155 1 1 1079 . 3 1 1 A 84 84 TYR C C 84 176.233 175.947 0.286 1 1 1080 . 3 1 1 A 84 84 TYR CA C 84 59.261 60.565 -1.304 1 1 1081 . 3 1 1 A 84 84 TYR CB C 84 38.503 38.529 -0.026 1 1 1084 . 3 1 1 A 84 84 TYR N N 84 118.223 117.287 0.936 1 1 1085 . 3 1 1 A 85 85 ASN H H 85 8.192 7.946 0.246 1 1 1086 . 3 1 1 A 85 85 ASN HA H 85 4.679 4.927 -0.248 1 1 1091 . 3 1 1 A 85 85 ASN C C 85 175.367 173.968 1.399 1 1 1092 . 3 1 1 A 85 85 ASN CA C 85 53.261 52.566 0.695 1 1 1093 . 3 1 1 A 85 85 ASN CB C 85 38.501 39.621 -1.120 1 1 1094 . 3 1 1 A 85 85 ASN N N 85 118.935 112.954 5.981 1 1 1096 . 3 1 1 A 86 86 LYS H H 86 8.151 8.629 -0.478 1 1 1097 . 3 1 1 A 86 86 LYS HA H 86 4.151 4.773 -0.622 1 1 1106 . 3 1 1 A 86 86 LYS C C 86 176.981 176.633 0.348 1 1 1107 . 3 1 1 A 86 86 LYS CA C 86 57.714 55.287 2.427 1 1 1108 . 3 1 1 A 86 86 LYS CB C 86 32.368 33.934 -1.566 1 1 1112 . 3 1 1 A 86 86 LYS N N 86 121.533 121.790 -0.257 1 1 1113 . 3 1 1 A 87 87 ASP H H 87 8.269 8.397 -0.128 1 1 1114 . 3 1 1 A 87 87 ASP HA H 87 4.553 4.555 -0.002 1 1 1117 . 3 1 1 A 87 87 ASP C C 87 177.209 178.187 -0.978 1 1 1118 . 3 1 1 A 87 87 ASP CA C 87 55.538 56.307 -0.769 1 1 1119 . 3 1 1 A 87 87 ASP CB C 87 40.677 41.572 -0.895 1 1 1120 . 3 1 1 A 87 87 ASP N N 87 119.408 119.939 -0.531 1 1 1121 . 3 1 1 A 88 88 MET H H 88 7.941 8.136 -0.195 1 1 1122 . 3 1 1 A 88 88 MET HA H 88 4.257 4.421 -0.164 1 1 1130 . 3 1 1 A 88 88 MET C C 88 176.851 178.017 -1.166 1 1 1131 . 3 1 1 A 88 88 MET CA C 88 56.461 57.134 -0.673 1 1 1132 . 3 1 1 A 88 88 MET CB C 88 32.371 32.584 -0.213 1 1 1135 . 3 1 1 A 88 88 MET N N 88 119.377 117.870 1.507 1 1 1136 . 3 1 1 A 89 89 TYR H H 89 8.094 8.104 -0.010 1 1 1137 . 3 1 1 A 89 89 TYR HA H 89 4.350 4.138 0.212 1 1 1144 . 3 1 1 A 89 89 TYR C C 89 176.252 177.178 -0.926 1 1 1145 . 3 1 1 A 89 89 TYR CA C 89 59.097 61.532 -2.435 1 1 1146 . 3 1 1 A 89 89 TYR CB C 89 38.051 38.913 -0.862 1 1 1149 . 3 1 1 A 89 89 TYR N N 89 119.418 122.187 -2.769 1 1 1150 . 3 1 1 A 90 90 ASN H H 90 8.244 8.243 0.001 1 1 1151 . 3 1 1 A 90 90 ASN HA H 90 4.573 4.482 0.091 1 1 1156 . 3 1 1 A 90 90 ASN C C 90 175.907 176.412 -0.505 1 1 1157 . 3 1 1 A 90 90 ASN CA C 90 53.867 54.413 -0.546 1 1 1158 . 3 1 1 A 90 90 ASN CB C 90 38.479 38.515 -0.036 1 1 1159 . 3 1 1 A 90 90 ASN N N 90 118.918 117.561 1.357 1 1 1161 . 3 1 1 A 91 91 GLN H H 91 8.176 7.913 0.263 1 1 1162 . 3 1 1 A 91 91 GLN HA H 91 4.216 4.350 -0.134 1 1 1169 . 3 1 1 A 91 91 GLN C C 91 176.568 178.099 -1.531 1 1 1170 . 3 1 1 A 91 91 GLN CA C 91 56.600 57.684 -1.084 1 1 1171 . 3 1 1 A 91 91 GLN CB C 91 28.859 29.210 -0.351 1 1 1173 . 3 1 1 A 91 91 GLN N N 91 119.648 119.519 0.129 1 1 1175 . 3 1 1 A 92 92 LEU H H 92 8.015 7.817 0.198 1 1 1176 . 3 1 1 A 92 92 LEU HA H 92 4.214 4.159 0.055 1 1 1186 . 3 1 1 A 92 92 LEU C C 92 177.661 176.347 1.314 1 1 1187 . 3 1 1 A 92 92 LEU CA C 92 55.550 57.197 -1.647 1 1 1188 . 3 1 1 A 92 92 LEU CB C 92 41.994 41.624 0.370 1 1 1192 . 3 1 1 A 92 92 LEU N N 92 121.059 115.519 5.540 1 1 1193 . 3 1 1 A 93 93 GLU H H 93 8.132 7.632 0.500 1 1 1194 . 3 1 1 A 93 93 GLU HA H 93 4.099 4.748 -0.649 1 1 1199 . 3 1 1 A 93 93 GLU C C 93 176.461 174.532 1.929 1 1 1200 . 3 1 1 A 93 93 GLU CA C 93 56.838 55.172 1.666 1 1 1201 . 3 1 1 A 93 93 GLU CB C 93 29.803 31.727 -1.924 1 1 1203 . 3 1 1 A 93 93 GLU N N 93 119.896 118.990 0.906 1 1 1204 . 3 1 1 A 94 94 HIS H H 94 8.134 8.740 -0.606 1 1 1205 . 3 1 1 A 94 94 HIS C C 94 174.994 173.743 1.251 1 1 1206 . 3 1 1 A 94 94 HIS CA C 94 56.075 54.400 1.675 1 1 1207 . 3 1 1 A 94 94 HIS CB C 94 29.997 30.145 -0.148 1 1 1 . 4 1 1 A 2 2 ASP HA H 2 4.708 5.183 -0.475 1 1 4 . 4 1 1 A 2 2 ASP C C 2 176.847 176.533 0.314 1 1 5 . 4 1 1 A 2 2 ASP CA C 2 53.800 53.499 0.301 1 1 6 . 4 1 1 A 2 2 ASP CB C 2 40.922 41.938 -1.016 1 1 7 . 4 1 1 A 3 3 GLN H H 3 9.117 8.315 0.802 1 1 8 . 4 1 1 A 3 3 GLN HA H 3 4.139 4.069 0.070 1 1 15 . 4 1 1 A 3 3 GLN C C 3 177.725 178.345 -0.620 1 1 16 . 4 1 1 A 3 3 GLN CA C 3 58.612 58.694 -0.082 1 1 17 . 4 1 1 A 3 3 GLN CB C 3 28.880 28.300 0.580 1 1 19 . 4 1 1 A 3 3 GLN N N 3 124.129 119.371 4.758 1 1 21 . 4 1 1 A 4 4 LEU H H 4 8.285 7.771 0.514 1 1 22 . 4 1 1 A 4 4 LEU HA H 4 3.947 3.587 0.360 1 1 32 . 4 1 1 A 4 4 LEU C C 4 178.111 178.982 -0.871 1 1 33 . 4 1 1 A 4 4 LEU CA C 4 56.421 57.433 -1.012 1 1 34 . 4 1 1 A 4 4 LEU CB C 4 40.690 41.378 -0.688 1 1 38 . 4 1 1 A 4 4 LEU N N 4 117.977 119.734 -1.757 1 1 39 . 4 1 1 A 5 5 LYS H H 5 7.624 7.971 -0.347 1 1 40 . 4 1 1 A 5 5 LYS HA H 5 3.837 3.940 -0.103 1 1 49 . 4 1 1 A 5 5 LYS C C 5 178.775 178.705 0.070 1 1 50 . 4 1 1 A 5 5 LYS CA C 5 59.939 59.598 0.341 1 1 51 . 4 1 1 A 5 5 LYS CB C 5 32.344 32.127 0.217 1 1 55 . 4 1 1 A 5 5 LYS N N 5 121.000 119.643 1.357 1 1 56 . 4 1 1 A 6 6 THR H H 6 7.852 7.543 0.309 1 1 57 . 4 1 1 A 6 6 THR HA H 6 3.908 3.926 -0.018 1 1 62 . 4 1 1 A 6 6 THR C C 6 176.483 176.476 0.007 1 1 63 . 4 1 1 A 6 6 THR CA C 6 66.062 67.203 -1.141 1 1 64 . 4 1 1 A 6 6 THR CB C 6 68.255 68.719 -0.464 1 1 66 . 4 1 1 A 6 6 THR N N 6 115.606 116.166 -0.560 1 1 67 . 4 1 1 A 7 7 ILE H H 7 7.791 8.270 -0.479 1 1 68 . 4 1 1 A 7 7 ILE HA H 7 3.422 3.543 -0.121 1 1 78 . 4 1 1 A 7 7 ILE C C 7 177.219 177.778 -0.559 1 1 79 . 4 1 1 A 7 7 ILE CA C 7 65.799 65.300 0.499 1 1 80 . 4 1 1 A 7 7 ILE CB C 7 37.619 37.581 0.038 1 1 84 . 4 1 1 A 7 7 ILE N N 7 122.292 121.410 0.882 1 1 85 . 4 1 1 A 8 8 LYS H H 8 8.233 8.198 0.035 1 1 86 . 4 1 1 A 8 8 LYS HA H 8 3.721 3.787 -0.066 1 1 95 . 4 1 1 A 8 8 LYS C C 8 179.054 179.711 -0.657 1 1 96 . 4 1 1 A 8 8 LYS CA C 8 60.378 60.484 -0.106 1 1 97 . 4 1 1 A 8 8 LYS CB C 8 31.990 32.255 -0.265 1 1 101 . 4 1 1 A 8 8 LYS N N 8 119.853 119.244 0.609 1 1 102 . 4 1 1 A 9 9 GLU H H 9 7.677 7.692 -0.015 1 1 103 . 4 1 1 A 9 9 GLU HA H 9 4.138 3.987 0.151 1 1 108 . 4 1 1 A 9 9 GLU C C 9 178.839 179.505 -0.666 1 1 109 . 4 1 1 A 9 9 GLU CA C 9 59.045 59.206 -0.161 1 1 110 . 4 1 1 A 9 9 GLU CB C 9 28.877 29.349 -0.472 1 1 112 . 4 1 1 A 9 9 GLU N N 9 118.933 120.150 -1.217 1 1 113 . 4 1 1 A 10 10 LEU H H 10 7.996 8.191 -0.195 1 1 114 . 4 1 1 A 10 10 LEU HA H 10 4.027 3.996 0.031 1 1 124 . 4 1 1 A 10 10 LEU C C 10 179.717 179.362 0.355 1 1 125 . 4 1 1 A 10 10 LEU CA C 10 58.212 58.089 0.123 1 1 126 . 4 1 1 A 10 10 LEU CB C 10 41.994 41.826 0.168 1 1 130 . 4 1 1 A 10 10 LEU N N 10 120.361 120.753 -0.392 1 1 131 . 4 1 1 A 11 11 ILE H H 11 8.059 8.159 -0.100 1 1 132 . 4 1 1 A 11 11 ILE HA H 11 3.233 3.502 -0.269 1 1 142 . 4 1 1 A 11 11 ILE C C 11 179.525 178.818 0.707 1 1 143 . 4 1 1 A 11 11 ILE CA C 11 65.782 64.544 1.238 1 1 144 . 4 1 1 A 11 11 ILE CB C 11 37.620 37.008 0.612 1 1 148 . 4 1 1 A 11 11 ILE N N 11 118.455 119.622 -1.167 1 1 149 . 4 1 1 A 12 12 ASN H H 12 8.219 8.017 0.202 1 1 150 . 4 1 1 A 12 12 ASN HA H 12 4.355 4.480 -0.125 1 1 155 . 4 1 1 A 12 12 ASN C C 12 177.168 177.509 -0.341 1 1 156 . 4 1 1 A 12 12 ASN CA C 12 55.945 56.319 -0.374 1 1 157 . 4 1 1 A 12 12 ASN CB C 12 38.012 37.815 0.197 1 1 158 . 4 1 1 A 12 12 ASN N N 12 120.732 119.889 0.843 1 1 160 . 4 1 1 A 13 13 GLN H H 13 8.028 7.796 0.232 1 1 161 . 4 1 1 A 13 13 GLN HA H 13 4.295 4.189 0.106 1 1 168 . 4 1 1 A 13 13 GLN C C 13 176.418 176.337 0.081 1 1 169 . 4 1 1 A 13 13 GLN CA C 13 55.821 55.309 0.512 1 1 170 . 4 1 1 A 13 13 GLN CB C 13 28.852 28.033 0.819 1 1 172 . 4 1 1 A 13 13 GLN N N 13 116.080 114.180 1.900 1 1 174 . 4 1 1 A 14 14 GLY H H 14 7.853 7.791 0.062 1 1 175 . 4 1 1 A 14 14 GLY HA2 H 14 4.337 3.938 0.399 1 1 176 . 4 1 1 A 14 14 GLY HA3 H 14 3.511 3.947 -0.436 1 1 177 . 4 1 1 A 14 14 GLY C C 14 174.233 173.745 0.488 1 1 178 . 4 1 1 A 14 14 GLY CA C 14 45.063 45.370 -0.307 1 1 179 . 4 1 1 A 14 14 GLY N N 14 107.118 109.780 -2.662 1 1 180 . 4 1 1 A 15 15 ASP H H 15 8.325 8.285 0.040 1 1 181 . 4 1 1 A 15 15 ASP HA H 15 4.973 4.653 0.320 1 1 184 . 4 1 1 A 15 15 ASP C C 15 176.427 176.509 -0.082 1 1 185 . 4 1 1 A 15 15 ASP CA C 15 51.828 52.399 -0.571 1 1 186 . 4 1 1 A 15 15 ASP CB C 15 38.583 39.382 -0.799 1 1 187 . 4 1 1 A 15 15 ASP N N 15 125.524 120.310 5.214 1 1 188 . 4 1 1 A 16 16 ILE H H 16 7.615 7.706 -0.091 1 1 189 . 4 1 1 A 16 16 ILE HA H 16 3.353 3.721 -0.368 1 1 199 . 4 1 1 A 16 16 ILE C C 16 177.618 177.518 0.100 1 1 200 . 4 1 1 A 16 16 ILE CA C 16 62.996 64.927 -1.931 1 1 201 . 4 1 1 A 16 16 ILE CB C 16 35.856 37.356 -1.500 1 1 205 . 4 1 1 A 16 16 ILE N N 16 119.875 124.992 -5.117 1 1 206 . 4 1 1 A 17 17 GLU H H 17 8.844 8.199 0.645 1 1 207 . 4 1 1 A 17 17 GLU HA H 17 3.887 3.874 0.013 1 1 212 . 4 1 1 A 17 17 GLU C C 17 179.739 179.520 0.219 1 1 213 . 4 1 1 A 17 17 GLU CA C 17 60.364 59.599 0.765 1 1 214 . 4 1 1 A 17 17 GLU CB C 17 28.670 29.230 -0.560 1 1 216 . 4 1 1 A 17 17 GLU N N 17 120.080 120.224 -0.144 1 1 217 . 4 1 1 A 18 18 ASN H H 18 7.768 7.807 -0.039 1 1 218 . 4 1 1 A 18 18 ASN HA H 18 4.535 4.393 0.142 1 1 223 . 4 1 1 A 18 18 ASN C C 18 178.197 177.875 0.322 1 1 224 . 4 1 1 A 18 18 ASN CA C 18 55.682 56.367 -0.685 1 1 225 . 4 1 1 A 18 18 ASN CB C 18 37.615 38.001 -0.386 1 1 226 . 4 1 1 A 18 18 ASN N N 18 116.056 118.790 -2.734 1 1 228 . 4 1 1 A 19 19 ALA H H 19 7.989 7.677 0.312 1 1 229 . 4 1 1 A 19 19 ALA HA H 19 3.870 4.015 -0.145 1 1 233 . 4 1 1 A 19 19 ALA C C 19 178.732 179.810 -1.078 1 1 234 . 4 1 1 A 19 19 ALA CA C 19 55.543 55.089 0.454 1 1 235 . 4 1 1 A 19 19 ALA CB C 19 18.362 18.576 -0.214 1 1 236 . 4 1 1 A 19 19 ALA N N 19 123.900 122.726 1.174 1 1 237 . 4 1 1 A 20 20 LEU H H 20 8.589 8.714 -0.125 1 1 238 . 4 1 1 A 20 20 LEU HA H 20 3.856 3.736 0.120 1 1 248 . 4 1 1 A 20 20 LEU C C 20 179.139 178.967 0.172 1 1 249 . 4 1 1 A 20 20 LEU CA C 20 58.169 58.102 0.067 1 1 250 . 4 1 1 A 20 20 LEU CB C 20 41.569 41.622 -0.053 1 1 254 . 4 1 1 A 20 20 LEU N N 20 117.052 117.896 -0.844 1 1 255 . 4 1 1 A 21 21 GLN H H 21 7.439 8.373 -0.934 1 1 256 . 4 1 1 A 21 21 GLN HA H 21 4.029 3.984 0.045 1 1 263 . 4 1 1 A 21 21 GLN C C 21 178.411 177.768 0.643 1 1 264 . 4 1 1 A 21 21 GLN CA C 21 58.730 58.477 0.253 1 1 265 . 4 1 1 A 21 21 GLN CB C 21 28.002 28.018 -0.016 1 1 267 . 4 1 1 A 21 21 GLN N N 21 118.218 117.095 1.123 1 1 269 . 4 1 1 A 22 22 ALA H H 22 7.848 7.622 0.226 1 1 270 . 4 1 1 A 22 22 ALA HA H 22 4.191 4.064 0.127 1 1 274 . 4 1 1 A 22 22 ALA C C 22 181.475 180.082 1.393 1 1 275 . 4 1 1 A 22 22 ALA CA C 22 54.631 54.882 -0.251 1 1 276 . 4 1 1 A 22 22 ALA CB C 22 17.907 18.536 -0.629 1 1 277 . 4 1 1 A 22 22 ALA N N 22 121.474 121.811 -0.337 1 1 278 . 4 1 1 A 23 23 LEU H H 23 8.751 8.313 0.438 1 1 279 . 4 1 1 A 23 23 LEU HA H 23 3.906 3.876 0.030 1 1 289 . 4 1 1 A 23 23 LEU C C 23 177.996 179.348 -1.352 1 1 290 . 4 1 1 A 23 23 LEU CA C 23 58.155 58.139 0.016 1 1 291 . 4 1 1 A 23 23 LEU CB C 23 42.020 41.475 0.545 1 1 295 . 4 1 1 A 23 23 LEU N N 23 122.246 120.127 2.119 1 1 296 . 4 1 1 A 24 24 GLU H H 24 8.247 8.430 -0.183 1 1 297 . 4 1 1 A 24 24 GLU HA H 24 3.971 3.972 -0.001 1 1 302 . 4 1 1 A 24 24 GLU C C 24 179.751 179.188 0.563 1 1 303 . 4 1 1 A 24 24 GLU CA C 24 59.506 59.617 -0.111 1 1 304 . 4 1 1 A 24 24 GLU CB C 24 28.849 29.131 -0.282 1 1 306 . 4 1 1 A 24 24 GLU N N 24 119.875 117.518 2.357 1 1 307 . 4 1 1 A 25 25 GLU H H 25 7.736 7.726 0.010 1 1 308 . 4 1 1 A 25 25 GLU HA H 25 4.013 4.071 -0.058 1 1 313 . 4 1 1 A 25 25 GLU C C 25 179.204 179.068 0.136 1 1 314 . 4 1 1 A 25 25 GLU CA C 25 59.058 59.415 -0.357 1 1 315 . 4 1 1 A 25 25 GLU CB C 25 29.238 29.183 0.055 1 1 317 . 4 1 1 A 25 25 GLU N N 25 118.451 119.520 -1.069 1 1 318 . 4 1 1 A 26 26 PHE H H 26 8.389 8.340 0.049 1 1 319 . 4 1 1 A 26 26 PHE HA H 26 4.218 4.067 0.151 1 1 327 . 4 1 1 A 26 26 PHE C C 26 178.732 177.362 1.370 1 1 328 . 4 1 1 A 26 26 PHE CA C 26 61.020 61.159 -0.139 1 1 329 . 4 1 1 A 26 26 PHE CB C 26 39.383 39.247 0.136 1 1 333 . 4 1 1 A 26 26 PHE N N 26 122.243 120.958 1.285 1 1 334 . 4 1 1 A 27 27 LEU H H 27 8.643 8.405 0.238 1 1 335 . 4 1 1 A 27 27 LEU HA H 27 3.666 3.993 -0.327 1 1 345 . 4 1 1 A 27 27 LEU C C 27 179.172 179.730 -0.558 1 1 346 . 4 1 1 A 27 27 LEU CA C 27 57.728 57.487 0.241 1 1 347 . 4 1 1 A 27 27 LEU CB C 27 42.008 41.247 0.761 1 1 351 . 4 1 1 A 27 27 LEU N N 27 119.374 118.859 0.515 1 1 352 . 4 1 1 A 28 28 GLN H H 28 7.536 7.837 -0.301 1 1 353 . 4 1 1 A 28 28 GLN HA H 28 4.215 4.155 0.060 1 1 360 . 4 1 1 A 28 28 GLN C C 28 177.261 177.625 -0.364 1 1 361 . 4 1 1 A 28 28 GLN CA C 28 57.287 58.303 -1.016 1 1 362 . 4 1 1 A 28 28 GLN CB C 28 28.832 28.754 0.078 1 1 364 . 4 1 1 A 28 28 GLN N N 28 116.095 118.508 -2.413 1 1 366 . 4 1 1 A 29 29 THR H H 29 7.480 7.412 0.068 1 1 367 . 4 1 1 A 29 29 THR HA H 29 4.332 4.144 0.188 1 1 372 . 4 1 1 A 29 29 THR C C 29 174.092 174.240 -0.148 1 1 373 . 4 1 1 A 29 29 THR CA C 29 62.533 64.416 -1.883 1 1 374 . 4 1 1 A 29 29 THR CB C 29 70.435 69.455 0.980 1 1 376 . 4 1 1 A 29 29 THR N N 29 108.609 115.381 -6.772 1 1 377 . 4 1 1 A 30 30 GLU H H 30 7.935 7.689 0.246 1 1 378 . 4 1 1 A 30 30 GLU HA H 30 4.221 4.591 -0.370 1 1 383 . 4 1 1 A 30 30 GLU CA C 30 54.719 53.896 0.823 1 1 384 . 4 1 1 A 30 30 GLU CB C 30 28.002 29.508 -1.506 1 1 386 . 4 1 1 A 30 30 GLU N N 30 119.400 118.455 0.945 1 1 387 . 4 1 1 A 31 31 PRO HA H 31 4.430 4.432 -0.002 1 1 394 . 4 1 1 A 31 31 PRO C C 31 177.447 177.701 -0.254 1 1 395 . 4 1 1 A 31 31 PRO CA C 31 62.992 64.341 -1.349 1 1 396 . 4 1 1 A 31 31 PRO CB C 31 32.354 31.937 0.417 1 1 399 . 4 1 1 A 32 32 VAL H H 32 7.989 7.790 0.199 1 1 400 . 4 1 1 A 32 32 VAL HA H 32 4.211 3.927 0.284 1 1 408 . 4 1 1 A 32 32 VAL C C 32 176.778 177.103 -0.325 1 1 409 . 4 1 1 A 32 32 VAL CA C 32 62.755 64.834 -2.079 1 1 410 . 4 1 1 A 32 32 VAL CB C 32 32.697 31.578 1.119 1 1 412 . 4 1 1 A 32 32 VAL N N 32 118.439 116.942 1.497 1 1 413 . 4 1 1 A 33 33 GLY H H 33 8.764 7.582 1.182 1 1 414 . 4 1 1 A 33 33 GLY HA2 H 33 4.195 4.162 0.033 1 1 415 . 4 1 1 A 33 33 GLY HA3 H 33 4.195 4.298 -0.103 1 1 416 . 4 1 1 A 33 33 GLY C C 33 176.287 175.295 0.992 1 1 417 . 4 1 1 A 33 33 GLY CA C 33 45.917 45.690 0.227 1 1 418 . 4 1 1 A 33 33 GLY N N 33 111.588 108.819 2.769 1 1 419 . 4 1 1 A 34 34 LYS H H 34 8.296 7.938 0.358 1 1 420 . 4 1 1 A 34 34 LYS HA H 34 3.839 4.331 -0.492 1 1 429 . 4 1 1 A 34 34 LYS C C 34 177.040 179.466 -2.426 1 1 430 . 4 1 1 A 34 34 LYS CA C 34 59.883 59.649 0.234 1 1 431 . 4 1 1 A 34 34 LYS CB C 34 32.883 32.468 0.415 1 1 435 . 4 1 1 A 34 34 LYS N N 34 119.887 119.235 0.652 1 1 436 . 4 1 1 A 35 35 ASP H H 35 9.065 8.766 0.299 1 1 437 . 4 1 1 A 35 35 ASP HA H 35 4.362 4.493 -0.131 1 1 440 . 4 1 1 A 35 35 ASP C C 35 177.018 178.387 -1.369 1 1 441 . 4 1 1 A 35 35 ASP CA C 35 57.636 57.260 0.376 1 1 442 . 4 1 1 A 35 35 ASP CB C 35 41.086 39.830 1.256 1 1 443 . 4 1 1 A 35 35 ASP N N 35 115.065 118.549 -3.484 1 1 444 . 4 1 1 A 36 36 GLU H H 36 7.474 8.316 -0.842 1 1 445 . 4 1 1 A 36 36 GLU HA H 36 4.275 4.102 0.173 1 1 450 . 4 1 1 A 36 36 GLU C C 36 178.261 178.337 -0.076 1 1 451 . 4 1 1 A 36 36 GLU CA C 36 59.046 59.507 -0.461 1 1 452 . 4 1 1 A 36 36 GLU CB C 36 29.283 29.517 -0.234 1 1 454 . 4 1 1 A 36 36 GLU N N 36 121.291 120.231 1.060 1 1 455 . 4 1 1 A 37 37 ALA H H 37 7.674 7.950 -0.276 1 1 456 . 4 1 1 A 37 37 ALA HA H 37 3.887 4.060 -0.173 1 1 460 . 4 1 1 A 37 37 ALA C C 37 179.161 179.888 -0.727 1 1 461 . 4 1 1 A 37 37 ALA CA C 37 55.091 55.162 -0.071 1 1 462 . 4 1 1 A 37 37 ALA CB C 37 17.925 18.727 -0.802 1 1 463 . 4 1 1 A 37 37 ALA N N 37 120.365 122.475 -2.110 1 1 464 . 4 1 1 A 38 38 TYR H H 38 8.175 8.772 -0.597 1 1 465 . 4 1 1 A 38 38 TYR HA H 38 4.422 4.403 0.019 1 1 472 . 4 1 1 A 38 38 TYR C C 38 178.497 178.418 0.079 1 1 473 . 4 1 1 A 38 38 TYR CA C 38 62.662 61.007 1.655 1 1 474 . 4 1 1 A 38 38 TYR CB C 38 37.996 37.820 0.176 1 1 477 . 4 1 1 A 38 38 TYR N N 38 117.027 116.286 0.741 1 1 478 . 4 1 1 A 39 39 TYR H H 39 8.321 8.141 0.180 1 1 479 . 4 1 1 A 39 39 TYR HA H 39 4.413 4.326 0.087 1 1 486 . 4 1 1 A 39 39 TYR C C 39 176.311 177.137 -0.826 1 1 487 . 4 1 1 A 39 39 TYR CA C 39 60.856 61.858 -1.002 1 1 488 . 4 1 1 A 39 39 TYR CB C 39 38.015 39.023 -1.008 1 1 491 . 4 1 1 A 39 39 TYR N N 39 120.527 120.992 -0.465 1 1 492 . 4 1 1 A 40 40 LEU H H 40 8.508 8.559 -0.051 1 1 493 . 4 1 1 A 40 40 LEU HA H 40 3.585 3.781 -0.196 1 1 503 . 4 1 1 A 40 40 LEU C C 40 178.857 179.256 -0.399 1 1 504 . 4 1 1 A 40 40 LEU CA C 40 57.723 57.816 -0.093 1 1 505 . 4 1 1 A 40 40 LEU CB C 40 41.543 41.358 0.185 1 1 509 . 4 1 1 A 40 40 LEU N N 40 118.925 120.498 -1.573 1 1 510 . 4 1 1 A 41 41 MET H H 41 8.661 8.527 0.134 1 1 511 . 4 1 1 A 41 41 MET HA H 41 3.611 3.971 -0.360 1 1 519 . 4 1 1 A 41 41 MET C C 41 178.325 178.954 -0.629 1 1 520 . 4 1 1 A 41 41 MET CA C 41 59.498 59.216 0.282 1 1 521 . 4 1 1 A 41 41 MET CB C 41 32.806 32.679 0.127 1 1 524 . 4 1 1 A 41 41 MET N N 41 119.892 117.558 2.334 1 1 525 . 4 1 1 A 42 42 GLY H H 42 8.531 8.654 -0.123 1 1 526 . 4 1 1 A 42 42 GLY HA2 H 42 3.564 3.546 0.018 1 1 527 . 4 1 1 A 42 42 GLY HA3 H 42 3.164 3.726 -0.562 1 1 528 . 4 1 1 A 42 42 GLY C C 42 174.726 176.116 -1.390 1 1 529 . 4 1 1 A 42 42 GLY CA C 42 48.104 47.301 0.803 1 1 530 . 4 1 1 A 42 42 GLY N N 42 107.064 108.754 -1.690 1 1 531 . 4 1 1 A 43 43 ASN H H 43 8.260 7.895 0.365 1 1 532 . 4 1 1 A 43 43 ASN HA H 43 4.334 4.474 -0.140 1 1 537 . 4 1 1 A 43 43 ASN C C 43 178.111 177.776 0.335 1 1 538 . 4 1 1 A 43 43 ASN CA C 43 54.966 56.568 -1.602 1 1 539 . 4 1 1 A 43 43 ASN CB C 43 36.326 38.089 -1.763 1 1 540 . 4 1 1 A 43 43 ASN N N 43 120.815 120.140 0.675 1 1 542 . 4 1 1 A 44 44 ALA H H 44 8.487 7.737 0.750 1 1 543 . 4 1 1 A 44 44 ALA HA H 44 3.788 3.952 -0.164 1 1 547 . 4 1 1 A 44 44 ALA C C 44 178.389 179.463 -1.074 1 1 548 . 4 1 1 A 44 44 ALA CA C 44 55.152 54.977 0.175 1 1 549 . 4 1 1 A 44 44 ALA CB C 44 16.897 18.091 -1.194 1 1 550 . 4 1 1 A 44 44 ALA N N 44 125.304 122.909 2.395 1 1 551 . 4 1 1 A 45 45 TYR H H 45 8.160 8.095 0.065 1 1 552 . 4 1 1 A 45 45 TYR HA H 45 4.168 4.210 -0.042 1 1 559 . 4 1 1 A 45 45 TYR C C 45 178.775 178.005 0.770 1 1 560 . 4 1 1 A 45 45 TYR CA C 45 62.995 61.729 1.266 1 1 561 . 4 1 1 A 45 45 TYR CB C 45 36.944 37.653 -0.709 1 1 564 . 4 1 1 A 45 45 TYR N N 45 115.156 116.029 -0.873 1 1 565 . 4 1 1 A 46 46 ARG H H 46 8.901 8.175 0.726 1 1 566 . 4 1 1 A 46 46 ARG HA H 46 3.677 3.593 0.084 1 1 573 . 4 1 1 A 46 46 ARG C C 46 179.396 179.214 0.182 1 1 574 . 4 1 1 A 46 46 ARG CA C 46 59.924 59.487 0.437 1 1 575 . 4 1 1 A 46 46 ARG CB C 46 30.131 29.728 0.403 1 1 578 . 4 1 1 A 46 46 ARG N N 46 121.781 121.146 0.635 1 1 579 . 4 1 1 A 47 47 LYS H H 47 7.813 7.548 0.265 1 1 580 . 4 1 1 A 47 47 LYS HA H 47 4.058 4.062 -0.004 1 1 589 . 4 1 1 A 47 47 LYS C C 47 178.111 179.381 -1.270 1 1 590 . 4 1 1 A 47 47 LYS CA C 47 58.950 58.193 0.757 1 1 591 . 4 1 1 A 47 47 LYS CB C 47 31.906 32.300 -0.394 1 1 595 . 4 1 1 A 47 47 LYS N N 47 120.818 118.642 2.176 1 1 596 . 4 1 1 A 48 48 LEU H H 48 7.312 7.260 0.052 1 1 597 . 4 1 1 A 48 48 LEU HA H 48 4.228 4.027 0.201 1 1 607 . 4 1 1 A 48 48 LEU C C 48 177.254 176.711 0.543 1 1 608 . 4 1 1 A 48 48 LEU CA C 48 54.908 56.492 -1.584 1 1 609 . 4 1 1 A 48 48 LEU CB C 48 42.475 42.642 -0.167 1 1 613 . 4 1 1 A 48 48 LEU N N 48 116.553 117.928 -1.375 1 1 614 . 4 1 1 A 49 49 GLY H H 49 7.564 7.986 -0.422 1 1 615 . 4 1 1 A 49 49 GLY HA2 H 49 3.607 3.679 -0.072 1 1 616 . 4 1 1 A 49 49 GLY HA3 H 49 2.316 3.905 -1.589 1 1 617 . 4 1 1 A 49 49 GLY C C 49 172.900 173.554 -0.654 1 1 618 . 4 1 1 A 49 49 GLY CA C 49 44.184 44.668 -0.484 1 1 619 . 4 1 1 A 49 49 GLY N N 49 107.326 105.760 1.566 1 1 620 . 4 1 1 A 50 50 ASP H H 50 7.670 7.328 0.342 1 1 621 . 4 1 1 A 50 50 ASP HA H 50 4.564 4.683 -0.119 1 1 624 . 4 1 1 A 50 50 ASP C C 50 175.681 176.166 -0.485 1 1 625 . 4 1 1 A 50 50 ASP CA C 50 51.083 52.786 -1.703 1 1 626 . 4 1 1 A 50 50 ASP CB C 50 39.169 40.961 -1.792 1 1 627 . 4 1 1 A 50 50 ASP N N 50 120.356 120.354 0.002 1 1 628 . 4 1 1 A 51 51 TRP H H 51 6.939 8.278 -1.339 1 1 629 . 4 1 1 A 51 51 TRP HA H 51 4.314 4.423 -0.109 1 1 638 . 4 1 1 A 51 51 TRP C C 51 178.047 178.883 -0.836 1 1 639 . 4 1 1 A 51 51 TRP CA C 51 58.473 59.576 -1.103 1 1 640 . 4 1 1 A 51 51 TRP CB C 51 30.099 28.965 1.134 1 1 646 . 4 1 1 A 51 51 TRP N N 51 121.784 125.637 -3.853 1 1 648 . 4 1 1 A 52 52 GLN H H 52 8.677 7.936 0.741 1 1 649 . 4 1 1 A 52 52 GLN HA H 52 3.960 4.007 -0.047 1 1 656 . 4 1 1 A 52 52 GLN C C 52 178.454 178.832 -0.378 1 1 657 . 4 1 1 A 52 52 GLN CA C 52 58.925 59.402 -0.477 1 1 658 . 4 1 1 A 52 52 GLN CB C 52 28.183 28.596 -0.413 1 1 660 . 4 1 1 A 52 52 GLN N N 52 117.018 119.939 -2.921 1 1 662 . 4 1 1 A 53 53 LYS H H 53 7.392 8.362 -0.970 1 1 663 . 4 1 1 A 53 53 LYS HA H 53 3.774 3.706 0.068 1 1 672 . 4 1 1 A 53 53 LYS C C 53 180.361 178.457 1.904 1 1 673 . 4 1 1 A 53 53 LYS CA C 53 59.764 59.116 0.648 1 1 674 . 4 1 1 A 53 53 LYS CB C 53 30.802 31.581 -0.779 1 1 678 . 4 1 1 A 53 53 LYS N N 53 117.913 119.146 -1.233 1 1 679 . 4 1 1 A 54 54 ALA H H 54 8.223 7.397 0.826 1 1 680 . 4 1 1 A 54 54 ALA HA H 54 4.012 3.814 0.198 1 1 684 . 4 1 1 A 54 54 ALA C C 54 177.635 179.844 -2.209 1 1 685 . 4 1 1 A 54 54 ALA CA C 54 55.792 54.894 0.898 1 1 686 . 4 1 1 A 54 54 ALA CB C 54 17.045 18.341 -1.296 1 1 687 . 4 1 1 A 54 54 ALA N N 54 123.665 122.031 1.634 1 1 688 . 4 1 1 A 55 55 LEU H H 55 8.425 8.419 0.006 1 1 689 . 4 1 1 A 55 55 LEU HA H 55 4.010 4.012 -0.002 1 1 699 . 4 1 1 A 55 55 LEU C C 55 179.568 179.398 0.170 1 1 700 . 4 1 1 A 55 55 LEU CA C 55 58.611 58.090 0.521 1 1 701 . 4 1 1 A 55 55 LEU CB C 55 41.500 41.795 -0.295 1 1 705 . 4 1 1 A 55 55 LEU N N 55 116.583 117.919 -1.336 1 1 706 . 4 1 1 A 56 56 ASN H H 56 8.284 8.344 -0.060 1 1 707 . 4 1 1 A 56 56 ASN HA H 56 4.360 4.458 -0.098 1 1 712 . 4 1 1 A 56 56 ASN C C 56 177.790 178.518 -0.728 1 1 713 . 4 1 1 A 56 56 ASN CA C 56 55.852 56.720 -0.868 1 1 714 . 4 1 1 A 56 56 ASN CB C 56 37.882 38.181 -0.299 1 1 715 . 4 1 1 A 56 56 ASN N N 56 117.763 118.353 -0.590 1 1 717 . 4 1 1 A 57 57 ASN H H 57 7.600 8.340 -0.740 1 1 718 . 4 1 1 A 57 57 ASN HA H 57 4.425 4.539 -0.114 1 1 723 . 4 1 1 A 57 57 ASN C C 57 177.404 178.363 -0.959 1 1 724 . 4 1 1 A 57 57 ASN CA C 57 58.105 56.313 1.792 1 1 725 . 4 1 1 A 57 57 ASN CB C 57 38.931 37.832 1.099 1 1 726 . 4 1 1 A 57 57 ASN N N 57 118.927 117.666 1.261 1 1 728 . 4 1 1 A 58 58 TYR H H 58 8.838 8.367 0.471 1 1 729 . 4 1 1 A 58 58 TYR HA H 58 4.667 4.392 0.275 1 1 736 . 4 1 1 A 58 58 TYR C C 58 178.047 178.590 -0.543 1 1 737 . 4 1 1 A 58 58 TYR CA C 58 58.430 61.869 -3.439 1 1 738 . 4 1 1 A 58 58 TYR CB C 58 36.743 38.022 -1.279 1 1 741 . 4 1 1 A 58 58 TYR N N 58 118.473 119.258 -0.785 1 1 742 . 4 1 1 A 59 59 GLN H H 59 8.572 8.287 0.285 1 1 743 . 4 1 1 A 59 59 GLN HA H 59 4.022 3.973 0.049 1 1 750 . 4 1 1 A 59 59 GLN C C 59 178.040 178.614 -0.574 1 1 751 . 4 1 1 A 59 59 GLN CA C 59 59.054 58.974 0.080 1 1 752 . 4 1 1 A 59 59 GLN CB C 59 27.126 28.338 -1.212 1 1 754 . 4 1 1 A 59 59 GLN N N 59 118.483 119.015 -0.532 1 1 756 . 4 1 1 A 60 60 SER H H 60 7.696 7.921 -0.225 1 1 757 . 4 1 1 A 60 60 SER HA H 60 3.931 3.956 -0.025 1 1 760 . 4 1 1 A 60 60 SER C C 60 175.926 176.352 -0.426 1 1 761 . 4 1 1 A 60 60 SER CA C 60 62.121 61.523 0.598 1 1 762 . 4 1 1 A 60 60 SER CB C 60 61.244 62.100 -0.856 1 1 763 . 4 1 1 A 60 60 SER N N 60 116.103 115.890 0.213 1 1 764 . 4 1 1 A 61 61 ALA H H 61 7.739 7.510 0.229 1 1 765 . 4 1 1 A 61 61 ALA HA H 61 4.075 4.193 -0.118 1 1 769 . 4 1 1 A 61 61 ALA C C 61 178.686 179.693 -1.007 1 1 770 . 4 1 1 A 61 61 ALA CA C 61 56.019 55.032 0.987 1 1 771 . 4 1 1 A 61 61 ALA CB C 61 18.790 18.528 0.262 1 1 772 . 4 1 1 A 61 61 ALA N N 61 122.319 122.893 -0.574 1 1 773 . 4 1 1 A 62 62 ILE H H 62 7.991 8.350 -0.359 1 1 774 . 4 1 1 A 62 62 ILE HA H 62 3.857 3.558 0.299 1 1 784 . 4 1 1 A 62 62 ILE C C 62 178.131 177.958 0.173 1 1 785 . 4 1 1 A 62 62 ILE CA C 62 63.418 65.240 -1.822 1 1 786 . 4 1 1 A 62 62 ILE CB C 62 39.119 37.771 1.348 1 1 790 . 4 1 1 A 62 62 ILE N N 62 117.981 118.603 -0.622 1 1 791 . 4 1 1 A 63 63 GLU H H 63 7.988 8.390 -0.402 1 1 792 . 4 1 1 A 63 63 GLU HA H 63 3.902 4.225 -0.323 1 1 797 . 4 1 1 A 63 63 GLU C C 63 178.564 177.770 0.794 1 1 798 . 4 1 1 A 63 63 GLU CA C 63 58.594 58.549 0.045 1 1 799 . 4 1 1 A 63 63 GLU CB C 63 29.278 29.332 -0.054 1 1 801 . 4 1 1 A 63 63 GLU N N 63 118.190 118.628 -0.438 1 1 802 . 4 1 1 A 64 64 LEU H H 64 7.024 7.532 -0.508 1 1 803 . 4 1 1 A 64 64 LEU HA H 64 4.347 4.254 0.093 1 1 813 . 4 1 1 A 64 64 LEU C C 64 177.496 176.771 0.725 1 1 814 . 4 1 1 A 64 64 LEU CA C 64 55.810 56.632 -0.822 1 1 815 . 4 1 1 A 64 64 LEU CB C 64 43.746 43.473 0.273 1 1 819 . 4 1 1 A 64 64 LEU N N 64 116.109 118.617 -2.508 1 1 820 . 4 1 1 A 65 65 ASN H H 65 8.270 8.380 -0.110 1 1 821 . 4 1 1 A 65 65 ASN HA H 65 5.068 5.024 0.044 1 1 826 . 4 1 1 A 65 65 ASN C C 65 172.512 174.401 -1.889 1 1 827 . 4 1 1 A 65 65 ASN CA C 65 49.457 49.558 -0.101 1 1 828 . 4 1 1 A 65 65 ASN CB C 65 38.936 40.011 -1.075 1 1 829 . 4 1 1 A 65 65 ASN N N 65 116.544 115.728 0.816 1 1 831 . 4 1 1 A 66 66 PRO HA H 66 4.467 4.518 -0.051 1 1 838 . 4 1 1 A 66 66 PRO C C 66 176.054 176.158 -0.104 1 1 839 . 4 1 1 A 66 66 PRO CA C 66 63.894 64.304 -0.410 1 1 840 . 4 1 1 A 66 66 PRO CB C 66 31.935 32.022 -0.087 1 1 843 . 4 1 1 A 67 67 ASP H H 67 7.326 7.627 -0.301 1 1 844 . 4 1 1 A 67 67 ASP HA H 67 4.863 4.887 -0.024 1 1 847 . 4 1 1 A 67 67 ASP C C 67 175.647 174.191 1.456 1 1 848 . 4 1 1 A 67 67 ASP CA C 67 53.273 52.440 0.833 1 1 849 . 4 1 1 A 67 67 ASP CB C 67 41.453 40.902 0.551 1 1 850 . 4 1 1 A 67 67 ASP N N 67 114.579 117.679 -3.100 1 1 851 . 4 1 1 A 68 68 SER H H 68 7.670 8.022 -0.352 1 1 852 . 4 1 1 A 68 68 SER HA H 68 4.315 4.933 -0.618 1 1 856 . 4 1 1 A 68 68 SER C C 68 175.108 173.730 1.378 1 1 857 . 4 1 1 A 68 68 SER CA C 68 56.422 54.886 1.536 1 1 858 . 4 1 1 A 68 68 SER CB C 68 63.880 64.502 -0.622 1 1 859 . 4 1 1 A 68 68 SER N N 68 115.624 116.881 -1.257 1 1 860 . 4 1 1 A 69 69 PRO HA H 69 4.588 4.150 0.438 1 1 867 . 4 1 1 A 69 69 PRO C C 69 177.083 177.167 -0.084 1 1 868 . 4 1 1 A 69 69 PRO CA C 69 63.870 64.225 -0.355 1 1 869 . 4 1 1 A 69 69 PRO CB C 69 30.612 31.198 -0.586 1 1 872 . 4 1 1 A 70 70 ALA H H 70 8.442 8.042 0.400 1 1 873 . 4 1 1 A 70 70 ALA HA H 70 3.679 4.031 -0.352 1 1 877 . 4 1 1 A 70 70 ALA C C 70 177.667 180.224 -2.557 1 1 878 . 4 1 1 A 70 70 ALA CA C 70 54.025 54.691 -0.666 1 1 879 . 4 1 1 A 70 70 ALA CB C 70 20.741 18.693 2.048 1 1 880 . 4 1 1 A 70 70 ALA N N 70 121.749 119.680 2.069 1 1 881 . 4 1 1 A 71 71 LEU H H 71 7.956 8.040 -0.084 1 1 882 . 4 1 1 A 71 71 LEU HA H 71 3.883 3.949 -0.066 1 1 892 . 4 1 1 A 71 71 LEU C C 71 179.241 178.904 0.337 1 1 893 . 4 1 1 A 71 71 LEU CA C 71 58.602 57.919 0.683 1 1 894 . 4 1 1 A 71 71 LEU CB C 71 41.987 41.331 0.656 1 1 898 . 4 1 1 A 71 71 LEU N N 71 119.448 119.482 -0.034 1 1 899 . 4 1 1 A 72 72 GLN H H 72 7.464 7.906 -0.442 1 1 900 . 4 1 1 A 72 72 GLN HA H 72 4.049 4.054 -0.005 1 1 907 . 4 1 1 A 72 72 GLN C C 72 178.432 178.256 0.176 1 1 908 . 4 1 1 A 72 72 GLN CA C 72 58.626 58.914 -0.288 1 1 909 . 4 1 1 A 72 72 GLN CB C 72 27.557 28.460 -0.903 1 1 911 . 4 1 1 A 72 72 GLN N N 72 117.976 118.317 -0.341 1 1 913 . 4 1 1 A 73 73 ALA H H 73 7.296 7.958 -0.662 1 1 914 . 4 1 1 A 73 73 ALA HA H 73 4.017 4.008 0.009 1 1 918 . 4 1 1 A 73 73 ALA C C 73 178.775 179.780 -1.005 1 1 919 . 4 1 1 A 73 73 ALA CA C 73 54.688 54.793 -0.105 1 1 920 . 4 1 1 A 73 73 ALA CB C 73 17.473 18.058 -0.585 1 1 921 . 4 1 1 A 73 73 ALA N N 73 123.083 122.738 0.345 1 1 922 . 4 1 1 A 74 74 ARG H H 74 8.328 7.631 0.697 1 1 923 . 4 1 1 A 74 74 ARG HA H 74 3.820 4.286 -0.466 1 1 931 . 4 1 1 A 74 74 ARG C C 74 177.297 178.656 -1.359 1 1 932 . 4 1 1 A 74 74 ARG CA C 74 59.805 58.849 0.956 1 1 933 . 4 1 1 A 74 74 ARG CB C 74 29.773 29.895 -0.122 1 1 936 . 4 1 1 A 74 74 ARG N N 74 117.535 118.522 -0.987 1 1 938 . 4 1 1 A 75 75 LYS H H 75 7.123 7.568 -0.445 1 1 939 . 4 1 1 A 75 75 LYS HA H 75 3.960 4.036 -0.076 1 1 948 . 4 1 1 A 75 75 LYS C C 75 178.071 178.733 -0.662 1 1 949 . 4 1 1 A 75 75 LYS CA C 75 59.488 59.157 0.331 1 1 950 . 4 1 1 A 75 75 LYS CB C 75 31.928 31.973 -0.045 1 1 954 . 4 1 1 A 75 75 LYS N N 75 119.136 118.603 0.533 1 1 955 . 4 1 1 A 76 76 MET H H 76 7.673 7.989 -0.316 1 1 956 . 4 1 1 A 76 76 MET HA H 76 4.205 4.043 0.162 1 1 964 . 4 1 1 A 76 76 MET C C 76 178.925 178.175 0.750 1 1 965 . 4 1 1 A 76 76 MET CA C 76 58.637 58.869 -0.232 1 1 966 . 4 1 1 A 76 76 MET CB C 76 32.344 32.077 0.267 1 1 969 . 4 1 1 A 76 76 MET N N 76 116.794 118.862 -2.068 1 1 970 . 4 1 1 A 77 77 VAL H H 77 7.928 8.188 -0.260 1 1 971 . 4 1 1 A 77 77 VAL HA H 77 3.601 3.428 0.173 1 1 979 . 4 1 1 A 77 77 VAL C C 77 177.318 178.085 -0.767 1 1 980 . 4 1 1 A 77 77 VAL CA C 77 66.468 66.569 -0.101 1 1 981 . 4 1 1 A 77 77 VAL CB C 77 31.477 31.410 0.067 1 1 984 . 4 1 1 A 77 77 VAL N N 77 117.999 118.951 -0.952 1 1 985 . 4 1 1 A 78 78 MET H H 78 8.446 7.929 0.517 1 1 986 . 4 1 1 A 78 78 MET HA H 78 4.136 4.171 -0.035 1 1 994 . 4 1 1 A 78 78 MET C C 78 178.542 178.250 0.292 1 1 995 . 4 1 1 A 78 78 MET CA C 78 58.514 58.561 -0.047 1 1 996 . 4 1 1 A 78 78 MET CB C 78 31.036 32.928 -1.892 1 1 999 . 4 1 1 A 78 78 MET N N 78 119.079 117.925 1.154 1 1 1000 . 4 1 1 A 79 79 ASP H H 79 8.202 7.802 0.400 1 1 1001 . 4 1 1 A 79 79 ASP HA H 79 4.419 4.257 0.162 1 1 1004 . 4 1 1 A 79 79 ASP C C 79 179.097 178.732 0.365 1 1 1005 . 4 1 1 A 79 79 ASP CA C 79 57.277 57.409 -0.132 1 1 1006 . 4 1 1 A 79 79 ASP CB C 79 39.813 40.405 -0.592 1 1 1007 . 4 1 1 A 79 79 ASP N N 79 119.422 118.238 1.184 1 1 1008 . 4 1 1 A 80 80 ILE H H 80 7.625 7.364 0.261 1 1 1009 . 4 1 1 A 80 80 ILE HA H 80 3.643 3.354 0.289 1 1 1019 . 4 1 1 A 80 80 ILE C C 80 178.024 178.340 -0.316 1 1 1020 . 4 1 1 A 80 80 ILE CA C 80 64.717 64.464 0.253 1 1 1021 . 4 1 1 A 80 80 ILE CB C 80 37.661 37.399 0.262 1 1 1025 . 4 1 1 A 80 80 ILE N N 80 121.750 120.006 1.744 1 1 1026 . 4 1 1 A 81 81 LEU H H 81 8.071 8.448 -0.377 1 1 1027 . 4 1 1 A 81 81 LEU HA H 81 3.908 3.940 -0.032 1 1 1037 . 4 1 1 A 81 81 LEU C C 81 178.852 178.911 -0.059 1 1 1038 . 4 1 1 A 81 81 LEU CA C 81 57.329 58.042 -0.713 1 1 1039 . 4 1 1 A 81 81 LEU CB C 81 41.544 40.864 0.680 1 1 1043 . 4 1 1 A 81 81 LEU N N 81 119.850 119.400 0.450 1 1 1044 . 4 1 1 A 82 82 ASN H H 82 8.188 8.239 -0.051 1 1 1045 . 4 1 1 A 82 82 ASN HA H 82 4.417 4.121 0.296 1 1 1050 . 4 1 1 A 82 82 ASN C C 82 176.440 177.317 -0.877 1 1 1051 . 4 1 1 A 82 82 ASN CA C 82 55.011 56.020 -1.009 1 1 1052 . 4 1 1 A 82 82 ASN CB C 82 38.461 38.387 0.074 1 1 1053 . 4 1 1 A 82 82 ASN N N 82 116.186 117.333 -1.147 1 1 1055 . 4 1 1 A 83 83 PHE H H 83 7.779 7.923 -0.144 1 1 1056 . 4 1 1 A 83 83 PHE HA H 83 4.352 4.055 0.297 1 1 1064 . 4 1 1 A 83 83 PHE C C 83 176.767 176.669 0.098 1 1 1065 . 4 1 1 A 83 83 PHE CA C 83 59.557 61.139 -1.582 1 1 1066 . 4 1 1 A 83 83 PHE CB C 83 38.944 38.703 0.241 1 1 1070 . 4 1 1 A 83 83 PHE N N 83 118.925 120.056 -1.131 1 1 1071 . 4 1 1 A 84 84 TYR H H 84 8.057 7.791 0.266 1 1 1072 . 4 1 1 A 84 84 TYR HA H 84 4.388 4.401 -0.013 1 1 1079 . 4 1 1 A 84 84 TYR C C 84 176.233 176.002 0.231 1 1 1080 . 4 1 1 A 84 84 TYR CA C 84 59.261 60.043 -0.782 1 1 1081 . 4 1 1 A 84 84 TYR CB C 84 38.503 39.383 -0.880 1 1 1084 . 4 1 1 A 84 84 TYR N N 84 118.223 116.406 1.817 1 1 1085 . 4 1 1 A 85 85 ASN H H 85 8.192 8.158 0.034 1 1 1086 . 4 1 1 A 85 85 ASN HA H 85 4.679 5.054 -0.375 1 1 1091 . 4 1 1 A 85 85 ASN C C 85 175.367 175.181 0.186 1 1 1092 . 4 1 1 A 85 85 ASN CA C 85 53.261 52.108 1.153 1 1 1093 . 4 1 1 A 85 85 ASN CB C 85 38.501 42.170 -3.669 1 1 1094 . 4 1 1 A 85 85 ASN N N 85 118.935 112.458 6.477 1 1 1096 . 4 1 1 A 86 86 LYS H H 86 8.151 8.935 -0.784 1 1 1097 . 4 1 1 A 86 86 LYS HA H 86 4.151 4.607 -0.456 1 1 1106 . 4 1 1 A 86 86 LYS C C 86 176.981 178.125 -1.144 1 1 1107 . 4 1 1 A 86 86 LYS CA C 86 57.714 58.012 -0.298 1 1 1108 . 4 1 1 A 86 86 LYS CB C 86 32.368 32.323 0.045 1 1 1112 . 4 1 1 A 86 86 LYS N N 86 121.533 118.635 2.898 1 1 1113 . 4 1 1 A 87 87 ASP H H 87 8.269 7.930 0.339 1 1 1114 . 4 1 1 A 87 87 ASP HA H 87 4.553 4.395 0.158 1 1 1117 . 4 1 1 A 87 87 ASP C C 87 177.209 178.736 -1.527 1 1 1118 . 4 1 1 A 87 87 ASP CA C 87 55.538 56.765 -1.227 1 1 1119 . 4 1 1 A 87 87 ASP CB C 87 40.677 41.307 -0.630 1 1 1120 . 4 1 1 A 87 87 ASP N N 87 119.408 120.925 -1.517 1 1 1121 . 4 1 1 A 88 88 MET H H 88 7.941 8.433 -0.492 1 1 1122 . 4 1 1 A 88 88 MET HA H 88 4.257 4.215 0.042 1 1 1130 . 4 1 1 A 88 88 MET C C 88 176.851 178.101 -1.250 1 1 1131 . 4 1 1 A 88 88 MET CA C 88 56.461 58.072 -1.611 1 1 1132 . 4 1 1 A 88 88 MET CB C 88 32.371 32.484 -0.113 1 1 1135 . 4 1 1 A 88 88 MET N N 88 119.377 118.281 1.096 1 1 1136 . 4 1 1 A 89 89 TYR H H 89 8.094 8.016 0.078 1 1 1137 . 4 1 1 A 89 89 TYR HA H 89 4.350 4.192 0.158 1 1 1144 . 4 1 1 A 89 89 TYR C C 89 176.252 177.028 -0.776 1 1 1145 . 4 1 1 A 89 89 TYR CA C 89 59.097 61.454 -2.357 1 1 1146 . 4 1 1 A 89 89 TYR CB C 89 38.051 38.849 -0.798 1 1 1149 . 4 1 1 A 89 89 TYR N N 89 119.418 122.364 -2.946 1 1 1150 . 4 1 1 A 90 90 ASN H H 90 8.244 7.563 0.681 1 1 1151 . 4 1 1 A 90 90 ASN HA H 90 4.573 4.428 0.145 1 1 1156 . 4 1 1 A 90 90 ASN C C 90 175.907 176.018 -0.111 1 1 1157 . 4 1 1 A 90 90 ASN CA C 90 53.867 53.102 0.765 1 1 1158 . 4 1 1 A 90 90 ASN CB C 90 38.479 38.759 -0.280 1 1 1159 . 4 1 1 A 90 90 ASN N N 90 118.918 117.456 1.462 1 1 1161 . 4 1 1 A 91 91 GLN H H 91 8.176 7.421 0.755 1 1 1162 . 4 1 1 A 91 91 GLN HA H 91 4.216 4.310 -0.094 1 1 1169 . 4 1 1 A 91 91 GLN C C 91 176.568 177.975 -1.407 1 1 1170 . 4 1 1 A 91 91 GLN CA C 91 56.600 56.847 -0.247 1 1 1171 . 4 1 1 A 91 91 GLN CB C 91 28.859 29.045 -0.186 1 1 1173 . 4 1 1 A 91 91 GLN N N 91 119.648 117.719 1.929 1 1 1175 . 4 1 1 A 92 92 LEU H H 92 8.015 7.888 0.127 1 1 1176 . 4 1 1 A 92 92 LEU HA H 92 4.214 4.070 0.144 1 1 1186 . 4 1 1 A 92 92 LEU C C 92 177.661 177.408 0.253 1 1 1187 . 4 1 1 A 92 92 LEU CA C 92 55.550 57.934 -2.384 1 1 1188 . 4 1 1 A 92 92 LEU CB C 92 41.994 41.810 0.184 1 1 1192 . 4 1 1 A 92 92 LEU N N 92 121.059 121.605 -0.546 1 1 1193 . 4 1 1 A 93 93 GLU H H 93 8.132 7.349 0.783 1 1 1194 . 4 1 1 A 93 93 GLU HA H 93 4.099 4.517 -0.418 1 1 1199 . 4 1 1 A 93 93 GLU C C 93 176.461 176.214 0.247 1 1 1200 . 4 1 1 A 93 93 GLU CA C 93 56.838 55.469 1.369 1 1 1201 . 4 1 1 A 93 93 GLU CB C 93 29.803 29.330 0.473 1 1 1203 . 4 1 1 A 93 93 GLU N N 93 119.896 118.730 1.166 1 1 1204 . 4 1 1 A 94 94 HIS H H 94 8.134 8.217 -0.083 1 1 1205 . 4 1 1 A 94 94 HIS C C 94 174.994 173.963 1.031 1 1 1206 . 4 1 1 A 94 94 HIS CA C 94 56.075 54.092 1.983 1 1 1207 . 4 1 1 A 94 94 HIS CB C 94 29.997 29.368 0.629 1 1 1 . 5 1 1 A 2 2 ASP HA H 2 4.708 4.766 -0.058 1 1 4 . 5 1 1 A 2 2 ASP C C 2 176.847 176.169 0.678 1 1 5 . 5 1 1 A 2 2 ASP CA C 2 53.800 53.013 0.787 1 1 6 . 5 1 1 A 2 2 ASP CB C 2 40.922 40.307 0.615 1 1 7 . 5 1 1 A 3 3 GLN H H 3 9.117 8.773 0.344 1 1 8 . 5 1 1 A 3 3 GLN HA H 3 4.139 3.921 0.218 1 1 15 . 5 1 1 A 3 3 GLN C C 3 177.725 177.527 0.198 1 1 16 . 5 1 1 A 3 3 GLN CA C 3 58.612 58.374 0.238 1 1 17 . 5 1 1 A 3 3 GLN CB C 3 28.880 28.463 0.417 1 1 19 . 5 1 1 A 3 3 GLN N N 3 124.129 126.274 -2.145 1 1 21 . 5 1 1 A 4 4 LEU H H 4 8.285 8.211 0.074 1 1 22 . 5 1 1 A 4 4 LEU HA H 4 3.947 3.800 0.147 1 1 32 . 5 1 1 A 4 4 LEU C C 4 178.111 179.190 -1.079 1 1 33 . 5 1 1 A 4 4 LEU CA C 4 56.421 57.673 -1.252 1 1 34 . 5 1 1 A 4 4 LEU CB C 4 40.690 40.440 0.250 1 1 38 . 5 1 1 A 4 4 LEU N N 4 117.977 119.382 -1.405 1 1 39 . 5 1 1 A 5 5 LYS H H 5 7.624 7.946 -0.322 1 1 40 . 5 1 1 A 5 5 LYS HA H 5 3.837 4.031 -0.194 1 1 49 . 5 1 1 A 5 5 LYS C C 5 178.775 179.236 -0.461 1 1 50 . 5 1 1 A 5 5 LYS CA C 5 59.939 59.224 0.715 1 1 51 . 5 1 1 A 5 5 LYS CB C 5 32.344 32.057 0.287 1 1 55 . 5 1 1 A 5 5 LYS N N 5 121.000 120.851 0.149 1 1 56 . 5 1 1 A 6 6 THR H H 6 7.852 7.733 0.119 1 1 57 . 5 1 1 A 6 6 THR HA H 6 3.908 3.911 -0.003 1 1 62 . 5 1 1 A 6 6 THR C C 6 176.483 176.867 -0.384 1 1 63 . 5 1 1 A 6 6 THR CA C 6 66.062 66.734 -0.672 1 1 64 . 5 1 1 A 6 6 THR CB C 6 68.255 67.706 0.549 1 1 66 . 5 1 1 A 6 6 THR N N 6 115.606 117.883 -2.277 1 1 67 . 5 1 1 A 7 7 ILE H H 7 7.791 7.488 0.303 1 1 68 . 5 1 1 A 7 7 ILE HA H 7 3.422 3.502 -0.080 1 1 78 . 5 1 1 A 7 7 ILE C C 7 177.219 177.832 -0.613 1 1 79 . 5 1 1 A 7 7 ILE CA C 7 65.799 65.432 0.367 1 1 80 . 5 1 1 A 7 7 ILE CB C 7 37.619 37.578 0.041 1 1 84 . 5 1 1 A 7 7 ILE N N 7 122.292 121.548 0.744 1 1 85 . 5 1 1 A 8 8 LYS H H 8 8.233 7.999 0.234 1 1 86 . 5 1 1 A 8 8 LYS HA H 8 3.721 3.811 -0.090 1 1 95 . 5 1 1 A 8 8 LYS C C 8 179.054 180.078 -1.024 1 1 96 . 5 1 1 A 8 8 LYS CA C 8 60.378 60.458 -0.080 1 1 97 . 5 1 1 A 8 8 LYS CB C 8 31.990 32.204 -0.214 1 1 101 . 5 1 1 A 8 8 LYS N N 8 119.853 118.925 0.928 1 1 102 . 5 1 1 A 9 9 GLU H H 9 7.677 8.282 -0.605 1 1 103 . 5 1 1 A 9 9 GLU HA H 9 4.138 4.023 0.115 1 1 108 . 5 1 1 A 9 9 GLU C C 9 178.839 179.401 -0.562 1 1 109 . 5 1 1 A 9 9 GLU CA C 9 59.045 59.031 0.014 1 1 110 . 5 1 1 A 9 9 GLU CB C 9 28.877 29.464 -0.587 1 1 112 . 5 1 1 A 9 9 GLU N N 9 118.933 120.487 -1.554 1 1 113 . 5 1 1 A 10 10 LEU H H 10 7.996 8.243 -0.247 1 1 114 . 5 1 1 A 10 10 LEU HA H 10 4.027 4.021 0.006 1 1 124 . 5 1 1 A 10 10 LEU C C 10 179.717 179.205 0.512 1 1 125 . 5 1 1 A 10 10 LEU CA C 10 58.212 58.095 0.117 1 1 126 . 5 1 1 A 10 10 LEU CB C 10 41.994 41.943 0.051 1 1 130 . 5 1 1 A 10 10 LEU N N 10 120.361 120.885 -0.524 1 1 131 . 5 1 1 A 11 11 ILE H H 11 8.059 8.485 -0.426 1 1 132 . 5 1 1 A 11 11 ILE HA H 11 3.233 3.510 -0.277 1 1 142 . 5 1 1 A 11 11 ILE C C 11 179.525 178.238 1.287 1 1 143 . 5 1 1 A 11 11 ILE CA C 11 65.782 64.849 0.933 1 1 144 . 5 1 1 A 11 11 ILE CB C 11 37.620 37.434 0.186 1 1 148 . 5 1 1 A 11 11 ILE N N 11 118.455 119.500 -1.045 1 1 149 . 5 1 1 A 12 12 ASN H H 12 8.219 8.337 -0.118 1 1 150 . 5 1 1 A 12 12 ASN HA H 12 4.355 4.425 -0.070 1 1 155 . 5 1 1 A 12 12 ASN C C 12 177.168 177.326 -0.158 1 1 156 . 5 1 1 A 12 12 ASN CA C 12 55.945 56.532 -0.587 1 1 157 . 5 1 1 A 12 12 ASN CB C 12 38.012 37.815 0.197 1 1 158 . 5 1 1 A 12 12 ASN N N 12 120.732 119.131 1.601 1 1 160 . 5 1 1 A 13 13 GLN H H 13 8.028 7.533 0.495 1 1 161 . 5 1 1 A 13 13 GLN HA H 13 4.295 4.353 -0.058 1 1 168 . 5 1 1 A 13 13 GLN C C 13 176.418 176.396 0.022 1 1 169 . 5 1 1 A 13 13 GLN CA C 13 55.821 55.667 0.154 1 1 170 . 5 1 1 A 13 13 GLN CB C 13 28.852 29.511 -0.659 1 1 172 . 5 1 1 A 13 13 GLN N N 13 116.080 116.561 -0.481 1 1 174 . 5 1 1 A 14 14 GLY H H 14 7.853 7.896 -0.043 1 1 175 . 5 1 1 A 14 14 GLY HA2 H 14 4.337 3.938 0.399 1 1 176 . 5 1 1 A 14 14 GLY HA3 H 14 3.511 3.947 -0.436 1 1 177 . 5 1 1 A 14 14 GLY C C 14 174.233 173.991 0.242 1 1 178 . 5 1 1 A 14 14 GLY CA C 14 45.063 45.522 -0.459 1 1 179 . 5 1 1 A 14 14 GLY N N 14 107.118 108.371 -1.253 1 1 180 . 5 1 1 A 15 15 ASP H H 15 8.325 8.694 -0.369 1 1 181 . 5 1 1 A 15 15 ASP HA H 15 4.973 4.696 0.277 1 1 184 . 5 1 1 A 15 15 ASP C C 15 176.427 176.432 -0.005 1 1 185 . 5 1 1 A 15 15 ASP CA C 15 51.828 52.282 -0.454 1 1 186 . 5 1 1 A 15 15 ASP CB C 15 38.583 39.632 -1.049 1 1 187 . 5 1 1 A 15 15 ASP N N 15 125.524 120.444 5.080 1 1 188 . 5 1 1 A 16 16 ILE H H 16 7.615 8.120 -0.505 1 1 189 . 5 1 1 A 16 16 ILE HA H 16 3.353 3.723 -0.370 1 1 199 . 5 1 1 A 16 16 ILE C C 16 177.618 177.439 0.179 1 1 200 . 5 1 1 A 16 16 ILE CA C 16 62.996 64.676 -1.680 1 1 201 . 5 1 1 A 16 16 ILE CB C 16 35.856 37.321 -1.465 1 1 205 . 5 1 1 A 16 16 ILE N N 16 119.875 124.947 -5.072 1 1 206 . 5 1 1 A 17 17 GLU H H 17 8.844 8.299 0.545 1 1 207 . 5 1 1 A 17 17 GLU HA H 17 3.887 3.905 -0.018 1 1 212 . 5 1 1 A 17 17 GLU C C 17 179.739 179.841 -0.102 1 1 213 . 5 1 1 A 17 17 GLU CA C 17 60.364 59.842 0.522 1 1 214 . 5 1 1 A 17 17 GLU CB C 17 28.670 29.300 -0.630 1 1 216 . 5 1 1 A 17 17 GLU N N 17 120.080 120.472 -0.392 1 1 217 . 5 1 1 A 18 18 ASN H H 18 7.768 7.910 -0.142 1 1 218 . 5 1 1 A 18 18 ASN HA H 18 4.535 4.459 0.076 1 1 223 . 5 1 1 A 18 18 ASN C C 18 178.197 178.021 0.176 1 1 224 . 5 1 1 A 18 18 ASN CA C 18 55.682 56.706 -1.024 1 1 225 . 5 1 1 A 18 18 ASN CB C 18 37.615 38.412 -0.797 1 1 226 . 5 1 1 A 18 18 ASN N N 18 116.056 118.594 -2.538 1 1 228 . 5 1 1 A 19 19 ALA H H 19 7.989 7.735 0.254 1 1 229 . 5 1 1 A 19 19 ALA HA H 19 3.870 4.021 -0.151 1 1 233 . 5 1 1 A 19 19 ALA C C 19 178.732 179.948 -1.216 1 1 234 . 5 1 1 A 19 19 ALA CA C 19 55.543 55.126 0.417 1 1 235 . 5 1 1 A 19 19 ALA CB C 19 18.362 18.622 -0.260 1 1 236 . 5 1 1 A 19 19 ALA N N 19 123.900 122.988 0.912 1 1 237 . 5 1 1 A 20 20 LEU H H 20 8.589 8.738 -0.149 1 1 238 . 5 1 1 A 20 20 LEU HA H 20 3.856 3.759 0.097 1 1 248 . 5 1 1 A 20 20 LEU C C 20 179.139 178.922 0.217 1 1 249 . 5 1 1 A 20 20 LEU CA C 20 58.169 58.064 0.105 1 1 250 . 5 1 1 A 20 20 LEU CB C 20 41.569 41.534 0.035 1 1 254 . 5 1 1 A 20 20 LEU N N 20 117.052 117.861 -0.809 1 1 255 . 5 1 1 A 21 21 GLN H H 21 7.439 8.403 -0.964 1 1 256 . 5 1 1 A 21 21 GLN HA H 21 4.029 3.998 0.031 1 1 263 . 5 1 1 A 21 21 GLN C C 21 178.411 177.815 0.596 1 1 264 . 5 1 1 A 21 21 GLN CA C 21 58.730 58.493 0.237 1 1 265 . 5 1 1 A 21 21 GLN CB C 21 28.002 27.797 0.205 1 1 267 . 5 1 1 A 21 21 GLN N N 21 118.218 117.167 1.051 1 1 269 . 5 1 1 A 22 22 ALA H H 22 7.848 7.590 0.258 1 1 270 . 5 1 1 A 22 22 ALA HA H 22 4.191 4.087 0.104 1 1 274 . 5 1 1 A 22 22 ALA C C 22 181.475 180.212 1.263 1 1 275 . 5 1 1 A 22 22 ALA CA C 22 54.631 54.580 0.051 1 1 276 . 5 1 1 A 22 22 ALA CB C 22 17.907 18.434 -0.527 1 1 277 . 5 1 1 A 22 22 ALA N N 22 121.474 121.891 -0.417 1 1 278 . 5 1 1 A 23 23 LEU H H 23 8.751 8.233 0.518 1 1 279 . 5 1 1 A 23 23 LEU HA H 23 3.906 3.931 -0.025 1 1 289 . 5 1 1 A 23 23 LEU C C 23 177.996 178.953 -0.957 1 1 290 . 5 1 1 A 23 23 LEU CA C 23 58.155 58.034 0.121 1 1 291 . 5 1 1 A 23 23 LEU CB C 23 42.020 41.612 0.408 1 1 295 . 5 1 1 A 23 23 LEU N N 23 122.246 120.414 1.832 1 1 296 . 5 1 1 A 24 24 GLU H H 24 8.247 8.781 -0.534 1 1 297 . 5 1 1 A 24 24 GLU HA H 24 3.971 3.980 -0.009 1 1 302 . 5 1 1 A 24 24 GLU C C 24 179.751 178.982 0.769 1 1 303 . 5 1 1 A 24 24 GLU CA C 24 59.506 58.884 0.622 1 1 304 . 5 1 1 A 24 24 GLU CB C 24 28.849 28.915 -0.066 1 1 306 . 5 1 1 A 24 24 GLU N N 24 119.875 117.964 1.911 1 1 307 . 5 1 1 A 25 25 GLU H H 25 7.736 7.922 -0.186 1 1 308 . 5 1 1 A 25 25 GLU HA H 25 4.013 4.064 -0.051 1 1 313 . 5 1 1 A 25 25 GLU C C 25 179.204 178.999 0.205 1 1 314 . 5 1 1 A 25 25 GLU CA C 25 59.058 59.402 -0.344 1 1 315 . 5 1 1 A 25 25 GLU CB C 25 29.238 29.516 -0.278 1 1 317 . 5 1 1 A 25 25 GLU N N 25 118.451 120.406 -1.955 1 1 318 . 5 1 1 A 26 26 PHE H H 26 8.389 8.244 0.145 1 1 319 . 5 1 1 A 26 26 PHE HA H 26 4.218 4.087 0.131 1 1 327 . 5 1 1 A 26 26 PHE C C 26 178.732 176.868 1.864 1 1 328 . 5 1 1 A 26 26 PHE CA C 26 61.020 61.379 -0.359 1 1 329 . 5 1 1 A 26 26 PHE CB C 26 39.383 39.139 0.244 1 1 333 . 5 1 1 A 26 26 PHE N N 26 122.243 120.646 1.597 1 1 334 . 5 1 1 A 27 27 LEU H H 27 8.643 8.585 0.058 1 1 335 . 5 1 1 A 27 27 LEU HA H 27 3.666 4.003 -0.337 1 1 345 . 5 1 1 A 27 27 LEU C C 27 179.172 178.351 0.821 1 1 346 . 5 1 1 A 27 27 LEU CA C 27 57.728 57.575 0.153 1 1 347 . 5 1 1 A 27 27 LEU CB C 27 42.008 41.296 0.712 1 1 351 . 5 1 1 A 27 27 LEU N N 27 119.374 119.041 0.333 1 1 352 . 5 1 1 A 28 28 GLN H H 28 7.536 7.912 -0.376 1 1 353 . 5 1 1 A 28 28 GLN HA H 28 4.215 4.184 0.031 1 1 360 . 5 1 1 A 28 28 GLN C C 28 177.261 176.164 1.097 1 1 361 . 5 1 1 A 28 28 GLN CA C 28 57.287 57.521 -0.234 1 1 362 . 5 1 1 A 28 28 GLN CB C 28 28.832 29.015 -0.183 1 1 364 . 5 1 1 A 28 28 GLN N N 28 116.095 116.659 -0.564 1 1 366 . 5 1 1 A 29 29 THR H H 29 7.480 8.168 -0.688 1 1 367 . 5 1 1 A 29 29 THR HA H 29 4.332 4.593 -0.261 1 1 372 . 5 1 1 A 29 29 THR C C 29 174.092 173.761 0.331 1 1 373 . 5 1 1 A 29 29 THR CA C 29 62.533 62.923 -0.390 1 1 374 . 5 1 1 A 29 29 THR CB C 29 70.435 71.462 -1.027 1 1 376 . 5 1 1 A 29 29 THR N N 29 108.609 114.125 -5.516 1 1 377 . 5 1 1 A 30 30 GLU H H 30 7.935 7.944 -0.009 1 1 378 . 5 1 1 A 30 30 GLU HA H 30 4.221 4.579 -0.358 1 1 383 . 5 1 1 A 30 30 GLU CA C 30 54.719 53.808 0.911 1 1 384 . 5 1 1 A 30 30 GLU CB C 30 28.002 29.548 -1.546 1 1 386 . 5 1 1 A 30 30 GLU N N 30 119.400 118.854 0.546 1 1 387 . 5 1 1 A 31 31 PRO HA H 31 4.430 4.390 0.040 1 1 394 . 5 1 1 A 31 31 PRO C C 31 177.447 177.774 -0.327 1 1 395 . 5 1 1 A 31 31 PRO CA C 31 62.992 64.323 -1.331 1 1 396 . 5 1 1 A 31 31 PRO CB C 31 32.354 31.932 0.422 1 1 399 . 5 1 1 A 32 32 VAL H H 32 7.989 7.666 0.323 1 1 400 . 5 1 1 A 32 32 VAL HA H 32 4.211 3.932 0.279 1 1 408 . 5 1 1 A 32 32 VAL C C 32 176.778 177.209 -0.431 1 1 409 . 5 1 1 A 32 32 VAL CA C 32 62.755 64.725 -1.970 1 1 410 . 5 1 1 A 32 32 VAL CB C 32 32.697 31.704 0.993 1 1 412 . 5 1 1 A 32 32 VAL N N 32 118.439 116.336 2.103 1 1 413 . 5 1 1 A 33 33 GLY H H 33 8.764 7.530 1.234 1 1 414 . 5 1 1 A 33 33 GLY HA2 H 33 4.195 4.200 -0.005 1 1 415 . 5 1 1 A 33 33 GLY HA3 H 33 4.195 4.343 -0.148 1 1 416 . 5 1 1 A 33 33 GLY C C 33 176.287 175.399 0.888 1 1 417 . 5 1 1 A 33 33 GLY CA C 33 45.917 45.728 0.189 1 1 418 . 5 1 1 A 33 33 GLY N N 33 111.588 108.674 2.914 1 1 419 . 5 1 1 A 34 34 LYS H H 34 8.296 7.975 0.321 1 1 420 . 5 1 1 A 34 34 LYS HA H 34 3.839 4.309 -0.470 1 1 429 . 5 1 1 A 34 34 LYS C C 34 177.040 179.284 -2.244 1 1 430 . 5 1 1 A 34 34 LYS CA C 34 59.883 59.639 0.244 1 1 431 . 5 1 1 A 34 34 LYS CB C 34 32.883 32.249 0.634 1 1 435 . 5 1 1 A 34 34 LYS N N 34 119.887 119.726 0.161 1 1 436 . 5 1 1 A 35 35 ASP H H 35 9.065 8.788 0.277 1 1 437 . 5 1 1 A 35 35 ASP HA H 35 4.362 4.509 -0.147 1 1 440 . 5 1 1 A 35 35 ASP C C 35 177.018 178.852 -1.834 1 1 441 . 5 1 1 A 35 35 ASP CA C 35 57.636 57.239 0.397 1 1 442 . 5 1 1 A 35 35 ASP CB C 35 41.086 39.828 1.258 1 1 443 . 5 1 1 A 35 35 ASP N N 35 115.065 118.377 -3.312 1 1 444 . 5 1 1 A 36 36 GLU H H 36 7.474 8.190 -0.716 1 1 445 . 5 1 1 A 36 36 GLU HA H 36 4.275 4.093 0.182 1 1 450 . 5 1 1 A 36 36 GLU C C 36 178.261 178.602 -0.341 1 1 451 . 5 1 1 A 36 36 GLU CA C 36 59.046 59.361 -0.315 1 1 452 . 5 1 1 A 36 36 GLU CB C 36 29.283 29.157 0.126 1 1 454 . 5 1 1 A 36 36 GLU N N 36 121.291 120.461 0.830 1 1 455 . 5 1 1 A 37 37 ALA H H 37 7.674 7.661 0.013 1 1 456 . 5 1 1 A 37 37 ALA HA H 37 3.887 4.023 -0.136 1 1 460 . 5 1 1 A 37 37 ALA C C 37 179.161 179.661 -0.500 1 1 461 . 5 1 1 A 37 37 ALA CA C 37 55.091 55.090 0.001 1 1 462 . 5 1 1 A 37 37 ALA CB C 37 17.925 17.926 -0.001 1 1 463 . 5 1 1 A 37 37 ALA N N 37 120.365 122.038 -1.673 1 1 464 . 5 1 1 A 38 38 TYR H H 38 8.175 8.433 -0.258 1 1 465 . 5 1 1 A 38 38 TYR HA H 38 4.422 4.354 0.068 1 1 472 . 5 1 1 A 38 38 TYR C C 38 178.497 178.351 0.146 1 1 473 . 5 1 1 A 38 38 TYR CA C 38 62.662 61.005 1.657 1 1 474 . 5 1 1 A 38 38 TYR CB C 38 37.996 37.905 0.091 1 1 477 . 5 1 1 A 38 38 TYR N N 38 117.027 116.054 0.973 1 1 478 . 5 1 1 A 39 39 TYR H H 39 8.321 8.257 0.064 1 1 479 . 5 1 1 A 39 39 TYR HA H 39 4.413 4.418 -0.005 1 1 486 . 5 1 1 A 39 39 TYR C C 39 176.311 177.185 -0.874 1 1 487 . 5 1 1 A 39 39 TYR CA C 39 60.856 61.701 -0.845 1 1 488 . 5 1 1 A 39 39 TYR CB C 39 38.015 38.769 -0.754 1 1 491 . 5 1 1 A 39 39 TYR N N 39 120.527 120.978 -0.451 1 1 492 . 5 1 1 A 40 40 LEU H H 40 8.508 8.757 -0.249 1 1 493 . 5 1 1 A 40 40 LEU HA H 40 3.585 3.856 -0.271 1 1 503 . 5 1 1 A 40 40 LEU C C 40 178.857 179.160 -0.303 1 1 504 . 5 1 1 A 40 40 LEU CA C 40 57.723 57.824 -0.101 1 1 505 . 5 1 1 A 40 40 LEU CB C 40 41.543 41.224 0.319 1 1 509 . 5 1 1 A 40 40 LEU N N 40 118.925 120.593 -1.668 1 1 510 . 5 1 1 A 41 41 MET H H 41 8.661 8.485 0.176 1 1 511 . 5 1 1 A 41 41 MET HA H 41 3.611 4.015 -0.404 1 1 519 . 5 1 1 A 41 41 MET C C 41 178.325 179.239 -0.914 1 1 520 . 5 1 1 A 41 41 MET CA C 41 59.498 59.161 0.337 1 1 521 . 5 1 1 A 41 41 MET CB C 41 32.806 32.628 0.178 1 1 524 . 5 1 1 A 41 41 MET N N 41 119.892 117.772 2.120 1 1 525 . 5 1 1 A 42 42 GLY H H 42 8.531 8.430 0.101 1 1 526 . 5 1 1 A 42 42 GLY HA2 H 42 3.564 2.939 0.625 1 1 527 . 5 1 1 A 42 42 GLY HA3 H 42 3.164 3.501 -0.337 1 1 528 . 5 1 1 A 42 42 GLY C C 42 174.726 175.986 -1.260 1 1 529 . 5 1 1 A 42 42 GLY CA C 42 48.104 47.075 1.029 1 1 530 . 5 1 1 A 42 42 GLY N N 42 107.064 108.689 -1.625 1 1 531 . 5 1 1 A 43 43 ASN H H 43 8.260 7.576 0.684 1 1 532 . 5 1 1 A 43 43 ASN HA H 43 4.334 4.437 -0.103 1 1 537 . 5 1 1 A 43 43 ASN C C 43 178.111 177.709 0.402 1 1 538 . 5 1 1 A 43 43 ASN CA C 43 54.966 56.224 -1.258 1 1 539 . 5 1 1 A 43 43 ASN CB C 43 36.326 38.171 -1.845 1 1 540 . 5 1 1 A 43 43 ASN N N 43 120.815 120.153 0.662 1 1 542 . 5 1 1 A 44 44 ALA H H 44 8.487 7.866 0.621 1 1 543 . 5 1 1 A 44 44 ALA HA H 44 3.788 3.953 -0.165 1 1 547 . 5 1 1 A 44 44 ALA C C 44 178.389 179.466 -1.077 1 1 548 . 5 1 1 A 44 44 ALA CA C 44 55.152 54.976 0.176 1 1 549 . 5 1 1 A 44 44 ALA CB C 44 16.897 18.066 -1.169 1 1 550 . 5 1 1 A 44 44 ALA N N 44 125.304 123.457 1.847 1 1 551 . 5 1 1 A 45 45 TYR H H 45 8.160 8.190 -0.030 1 1 552 . 5 1 1 A 45 45 TYR HA H 45 4.168 4.229 -0.061 1 1 559 . 5 1 1 A 45 45 TYR C C 45 178.775 178.491 0.284 1 1 560 . 5 1 1 A 45 45 TYR CA C 45 62.995 61.752 1.243 1 1 561 . 5 1 1 A 45 45 TYR CB C 45 36.944 37.691 -0.747 1 1 564 . 5 1 1 A 45 45 TYR N N 45 115.156 116.003 -0.847 1 1 565 . 5 1 1 A 46 46 ARG H H 46 8.901 7.975 0.926 1 1 566 . 5 1 1 A 46 46 ARG HA H 46 3.677 3.522 0.155 1 1 573 . 5 1 1 A 46 46 ARG C C 46 179.396 178.511 0.885 1 1 574 . 5 1 1 A 46 46 ARG CA C 46 59.924 59.041 0.883 1 1 575 . 5 1 1 A 46 46 ARG CB C 46 30.131 29.610 0.521 1 1 578 . 5 1 1 A 46 46 ARG N N 46 121.781 120.692 1.089 1 1 579 . 5 1 1 A 47 47 LYS H H 47 7.813 7.591 0.222 1 1 580 . 5 1 1 A 47 47 LYS HA H 47 4.058 4.019 0.039 1 1 589 . 5 1 1 A 47 47 LYS C C 47 178.111 178.835 -0.724 1 1 590 . 5 1 1 A 47 47 LYS CA C 47 58.950 58.267 0.683 1 1 591 . 5 1 1 A 47 47 LYS CB C 47 31.906 32.246 -0.340 1 1 595 . 5 1 1 A 47 47 LYS N N 47 120.818 118.916 1.902 1 1 596 . 5 1 1 A 48 48 LEU H H 48 7.312 7.238 0.074 1 1 597 . 5 1 1 A 48 48 LEU HA H 48 4.228 4.077 0.151 1 1 607 . 5 1 1 A 48 48 LEU C C 48 177.254 177.138 0.116 1 1 608 . 5 1 1 A 48 48 LEU CA C 48 54.908 55.947 -1.039 1 1 609 . 5 1 1 A 48 48 LEU CB C 48 42.475 42.979 -0.504 1 1 613 . 5 1 1 A 48 48 LEU N N 48 116.553 117.813 -1.260 1 1 614 . 5 1 1 A 49 49 GLY H H 49 7.564 7.893 -0.329 1 1 615 . 5 1 1 A 49 49 GLY HA2 H 49 3.607 3.761 -0.154 1 1 616 . 5 1 1 A 49 49 GLY HA3 H 49 2.316 3.927 -1.611 1 1 617 . 5 1 1 A 49 49 GLY C C 49 172.900 173.418 -0.518 1 1 618 . 5 1 1 A 49 49 GLY CA C 49 44.184 44.911 -0.727 1 1 619 . 5 1 1 A 49 49 GLY N N 49 107.326 105.944 1.382 1 1 620 . 5 1 1 A 50 50 ASP H H 50 7.670 7.846 -0.176 1 1 621 . 5 1 1 A 50 50 ASP HA H 50 4.564 4.766 -0.202 1 1 624 . 5 1 1 A 50 50 ASP C C 50 175.681 175.972 -0.291 1 1 625 . 5 1 1 A 50 50 ASP CA C 50 51.083 52.589 -1.506 1 1 626 . 5 1 1 A 50 50 ASP CB C 50 39.169 41.303 -2.134 1 1 627 . 5 1 1 A 50 50 ASP N N 50 120.356 120.022 0.334 1 1 628 . 5 1 1 A 51 51 TRP H H 51 6.939 8.414 -1.475 1 1 629 . 5 1 1 A 51 51 TRP HA H 51 4.314 4.365 -0.051 1 1 638 . 5 1 1 A 51 51 TRP C C 51 178.047 178.756 -0.709 1 1 639 . 5 1 1 A 51 51 TRP CA C 51 58.473 60.025 -1.552 1 1 640 . 5 1 1 A 51 51 TRP CB C 51 30.099 29.215 0.884 1 1 646 . 5 1 1 A 51 51 TRP N N 51 121.784 125.185 -3.401 1 1 648 . 5 1 1 A 52 52 GLN H H 52 8.677 8.466 0.211 1 1 649 . 5 1 1 A 52 52 GLN HA H 52 3.960 3.936 0.024 1 1 656 . 5 1 1 A 52 52 GLN C C 52 178.454 178.116 0.338 1 1 657 . 5 1 1 A 52 52 GLN CA C 52 58.925 58.738 0.187 1 1 658 . 5 1 1 A 52 52 GLN CB C 52 28.183 28.400 -0.217 1 1 660 . 5 1 1 A 52 52 GLN N N 52 117.018 120.774 -3.756 1 1 662 . 5 1 1 A 53 53 LYS H H 53 7.392 8.097 -0.705 1 1 663 . 5 1 1 A 53 53 LYS HA H 53 3.774 3.774 0.000 1 1 672 . 5 1 1 A 53 53 LYS C C 53 180.361 178.907 1.454 1 1 673 . 5 1 1 A 53 53 LYS CA C 53 59.764 59.151 0.613 1 1 674 . 5 1 1 A 53 53 LYS CB C 53 30.802 31.624 -0.822 1 1 678 . 5 1 1 A 53 53 LYS N N 53 117.913 119.232 -1.319 1 1 679 . 5 1 1 A 54 54 ALA H H 54 8.223 7.289 0.934 1 1 680 . 5 1 1 A 54 54 ALA HA H 54 4.012 3.775 0.237 1 1 684 . 5 1 1 A 54 54 ALA C C 54 177.635 179.999 -2.364 1 1 685 . 5 1 1 A 54 54 ALA CA C 54 55.792 54.716 1.076 1 1 686 . 5 1 1 A 54 54 ALA CB C 54 17.045 18.023 -0.978 1 1 687 . 5 1 1 A 54 54 ALA N N 54 123.665 122.212 1.453 1 1 688 . 5 1 1 A 55 55 LEU H H 55 8.425 8.219 0.206 1 1 689 . 5 1 1 A 55 55 LEU HA H 55 4.010 3.981 0.029 1 1 699 . 5 1 1 A 55 55 LEU C C 55 179.568 179.002 0.566 1 1 700 . 5 1 1 A 55 55 LEU CA C 55 58.611 58.226 0.385 1 1 701 . 5 1 1 A 55 55 LEU CB C 55 41.500 41.931 -0.431 1 1 705 . 5 1 1 A 55 55 LEU N N 55 116.583 119.121 -2.538 1 1 706 . 5 1 1 A 56 56 ASN H H 56 8.284 8.176 0.108 1 1 707 . 5 1 1 A 56 56 ASN HA H 56 4.360 4.429 -0.069 1 1 712 . 5 1 1 A 56 56 ASN C C 56 177.790 178.441 -0.651 1 1 713 . 5 1 1 A 56 56 ASN CA C 56 55.852 56.626 -0.774 1 1 714 . 5 1 1 A 56 56 ASN CB C 56 37.882 37.664 0.218 1 1 715 . 5 1 1 A 56 56 ASN N N 56 117.763 117.386 0.377 1 1 717 . 5 1 1 A 57 57 ASN H H 57 7.600 7.912 -0.312 1 1 718 . 5 1 1 A 57 57 ASN HA H 57 4.425 4.461 -0.036 1 1 723 . 5 1 1 A 57 57 ASN C C 57 177.404 177.875 -0.471 1 1 724 . 5 1 1 A 57 57 ASN CA C 57 58.105 56.437 1.668 1 1 725 . 5 1 1 A 57 57 ASN CB C 57 38.931 38.703 0.228 1 1 726 . 5 1 1 A 57 57 ASN N N 57 118.927 117.826 1.101 1 1 728 . 5 1 1 A 58 58 TYR H H 58 8.838 8.470 0.368 1 1 729 . 5 1 1 A 58 58 TYR HA H 58 4.667 4.408 0.259 1 1 736 . 5 1 1 A 58 58 TYR C C 58 178.047 178.387 -0.340 1 1 737 . 5 1 1 A 58 58 TYR CA C 58 58.430 61.841 -3.411 1 1 738 . 5 1 1 A 58 58 TYR CB C 58 36.743 37.935 -1.192 1 1 741 . 5 1 1 A 58 58 TYR N N 58 118.473 118.635 -0.162 1 1 742 . 5 1 1 A 59 59 GLN H H 59 8.572 8.169 0.403 1 1 743 . 5 1 1 A 59 59 GLN HA H 59 4.022 3.989 0.033 1 1 750 . 5 1 1 A 59 59 GLN C C 59 178.040 178.016 0.024 1 1 751 . 5 1 1 A 59 59 GLN CA C 59 59.054 58.778 0.276 1 1 752 . 5 1 1 A 59 59 GLN CB C 59 27.126 28.468 -1.342 1 1 754 . 5 1 1 A 59 59 GLN N N 59 118.483 120.418 -1.935 1 1 756 . 5 1 1 A 60 60 SER H H 60 7.696 7.724 -0.028 1 1 757 . 5 1 1 A 60 60 SER HA H 60 3.931 3.916 0.015 1 1 760 . 5 1 1 A 60 60 SER C C 60 175.926 175.983 -0.057 1 1 761 . 5 1 1 A 60 60 SER CA C 60 62.121 61.377 0.744 1 1 762 . 5 1 1 A 60 60 SER CB C 60 61.244 62.121 -0.877 1 1 763 . 5 1 1 A 60 60 SER N N 60 116.103 117.044 -0.941 1 1 764 . 5 1 1 A 61 61 ALA H H 61 7.739 7.543 0.196 1 1 765 . 5 1 1 A 61 61 ALA HA H 61 4.075 4.227 -0.152 1 1 769 . 5 1 1 A 61 61 ALA C C 61 178.686 179.803 -1.117 1 1 770 . 5 1 1 A 61 61 ALA CA C 61 56.019 55.178 0.841 1 1 771 . 5 1 1 A 61 61 ALA CB C 61 18.790 18.503 0.287 1 1 772 . 5 1 1 A 61 61 ALA N N 61 122.319 122.802 -0.483 1 1 773 . 5 1 1 A 62 62 ILE H H 62 7.991 7.651 0.340 1 1 774 . 5 1 1 A 62 62 ILE HA H 62 3.857 3.654 0.203 1 1 784 . 5 1 1 A 62 62 ILE C C 62 178.131 178.034 0.097 1 1 785 . 5 1 1 A 62 62 ILE CA C 62 63.418 65.221 -1.803 1 1 786 . 5 1 1 A 62 62 ILE CB C 62 39.119 37.375 1.744 1 1 790 . 5 1 1 A 62 62 ILE N N 62 117.981 118.815 -0.834 1 1 791 . 5 1 1 A 63 63 GLU H H 63 7.988 8.073 -0.085 1 1 792 . 5 1 1 A 63 63 GLU HA H 63 3.902 4.095 -0.193 1 1 797 . 5 1 1 A 63 63 GLU C C 63 178.564 177.911 0.653 1 1 798 . 5 1 1 A 63 63 GLU CA C 63 58.594 59.061 -0.467 1 1 799 . 5 1 1 A 63 63 GLU CB C 63 29.278 29.331 -0.053 1 1 801 . 5 1 1 A 63 63 GLU N N 63 118.190 120.642 -2.452 1 1 802 . 5 1 1 A 64 64 LEU H H 64 7.024 7.339 -0.315 1 1 803 . 5 1 1 A 64 64 LEU HA H 64 4.347 4.344 0.003 1 1 813 . 5 1 1 A 64 64 LEU C C 64 177.496 177.088 0.408 1 1 814 . 5 1 1 A 64 64 LEU CA C 64 55.810 56.073 -0.263 1 1 815 . 5 1 1 A 64 64 LEU CB C 64 43.746 43.472 0.274 1 1 819 . 5 1 1 A 64 64 LEU N N 64 116.109 118.848 -2.739 1 1 820 . 5 1 1 A 65 65 ASN H H 65 8.270 8.267 0.003 1 1 821 . 5 1 1 A 65 65 ASN HA H 65 5.068 5.134 -0.066 1 1 826 . 5 1 1 A 65 65 ASN C C 65 172.512 173.650 -1.138 1 1 827 . 5 1 1 A 65 65 ASN CA C 65 49.457 50.008 -0.551 1 1 828 . 5 1 1 A 65 65 ASN CB C 65 38.936 40.044 -1.108 1 1 829 . 5 1 1 A 65 65 ASN N N 65 116.544 115.414 1.130 1 1 831 . 5 1 1 A 66 66 PRO HA H 66 4.467 4.446 0.021 1 1 838 . 5 1 1 A 66 66 PRO C C 66 176.054 176.412 -0.358 1 1 839 . 5 1 1 A 66 66 PRO CA C 66 63.894 64.427 -0.533 1 1 840 . 5 1 1 A 66 66 PRO CB C 66 31.935 31.923 0.012 1 1 843 . 5 1 1 A 67 67 ASP H H 67 7.326 8.022 -0.696 1 1 844 . 5 1 1 A 67 67 ASP HA H 67 4.863 4.831 0.032 1 1 847 . 5 1 1 A 67 67 ASP C C 67 175.647 175.325 0.322 1 1 848 . 5 1 1 A 67 67 ASP CA C 67 53.273 53.608 -0.335 1 1 849 . 5 1 1 A 67 67 ASP CB C 67 41.453 41.560 -0.107 1 1 850 . 5 1 1 A 67 67 ASP N N 67 114.579 117.855 -3.276 1 1 851 . 5 1 1 A 68 68 SER H H 68 7.670 7.309 0.361 1 1 852 . 5 1 1 A 68 68 SER HA H 68 4.315 4.826 -0.511 1 1 856 . 5 1 1 A 68 68 SER C C 68 175.108 174.632 0.476 1 1 857 . 5 1 1 A 68 68 SER CA C 68 56.422 56.476 -0.054 1 1 858 . 5 1 1 A 68 68 SER CB C 68 63.880 63.322 0.558 1 1 859 . 5 1 1 A 68 68 SER N N 68 115.624 114.231 1.393 1 1 860 . 5 1 1 A 69 69 PRO HA H 69 4.588 4.419 0.169 1 1 867 . 5 1 1 A 69 69 PRO C C 69 177.083 177.033 0.050 1 1 868 . 5 1 1 A 69 69 PRO CA C 69 63.870 63.961 -0.091 1 1 869 . 5 1 1 A 69 69 PRO CB C 69 30.612 31.309 -0.697 1 1 872 . 5 1 1 A 70 70 ALA H H 70 8.442 8.274 0.168 1 1 873 . 5 1 1 A 70 70 ALA HA H 70 3.679 4.259 -0.580 1 1 877 . 5 1 1 A 70 70 ALA C C 70 177.667 179.449 -1.782 1 1 878 . 5 1 1 A 70 70 ALA CA C 70 54.025 53.902 0.123 1 1 879 . 5 1 1 A 70 70 ALA CB C 70 20.741 18.626 2.115 1 1 880 . 5 1 1 A 70 70 ALA N N 70 121.749 121.771 -0.022 1 1 881 . 5 1 1 A 71 71 LEU H H 71 7.956 7.570 0.386 1 1 882 . 5 1 1 A 71 71 LEU HA H 71 3.883 3.930 -0.047 1 1 892 . 5 1 1 A 71 71 LEU C C 71 179.241 178.930 0.311 1 1 893 . 5 1 1 A 71 71 LEU CA C 71 58.602 58.120 0.482 1 1 894 . 5 1 1 A 71 71 LEU CB C 71 41.987 41.564 0.423 1 1 898 . 5 1 1 A 71 71 LEU N N 71 119.448 119.191 0.257 1 1 899 . 5 1 1 A 72 72 GLN H H 72 7.464 8.057 -0.593 1 1 900 . 5 1 1 A 72 72 GLN HA H 72 4.049 4.095 -0.046 1 1 907 . 5 1 1 A 72 72 GLN C C 72 178.432 178.394 0.038 1 1 908 . 5 1 1 A 72 72 GLN CA C 72 58.626 58.888 -0.262 1 1 909 . 5 1 1 A 72 72 GLN CB C 72 27.557 28.347 -0.790 1 1 911 . 5 1 1 A 72 72 GLN N N 72 117.976 117.786 0.190 1 1 913 . 5 1 1 A 73 73 ALA H H 73 7.296 7.594 -0.298 1 1 914 . 5 1 1 A 73 73 ALA HA H 73 4.017 3.902 0.115 1 1 918 . 5 1 1 A 73 73 ALA C C 73 178.775 179.335 -0.560 1 1 919 . 5 1 1 A 73 73 ALA CA C 73 54.688 55.158 -0.470 1 1 920 . 5 1 1 A 73 73 ALA CB C 73 17.473 17.583 -0.110 1 1 921 . 5 1 1 A 73 73 ALA N N 73 123.083 122.628 0.455 1 1 922 . 5 1 1 A 74 74 ARG H H 74 8.328 7.749 0.579 1 1 923 . 5 1 1 A 74 74 ARG HA H 74 3.820 4.204 -0.384 1 1 931 . 5 1 1 A 74 74 ARG C C 74 177.297 178.386 -1.089 1 1 932 . 5 1 1 A 74 74 ARG CA C 74 59.805 59.135 0.670 1 1 933 . 5 1 1 A 74 74 ARG CB C 74 29.773 29.767 0.006 1 1 936 . 5 1 1 A 74 74 ARG N N 74 117.535 118.234 -0.699 1 1 938 . 5 1 1 A 75 75 LYS H H 75 7.123 7.697 -0.574 1 1 939 . 5 1 1 A 75 75 LYS HA H 75 3.960 4.108 -0.148 1 1 948 . 5 1 1 A 75 75 LYS C C 75 178.071 178.516 -0.445 1 1 949 . 5 1 1 A 75 75 LYS CA C 75 59.488 59.197 0.291 1 1 950 . 5 1 1 A 75 75 LYS CB C 75 31.928 31.985 -0.057 1 1 954 . 5 1 1 A 75 75 LYS N N 75 119.136 119.561 -0.425 1 1 955 . 5 1 1 A 76 76 MET H H 76 7.673 8.157 -0.484 1 1 956 . 5 1 1 A 76 76 MET HA H 76 4.205 4.096 0.109 1 1 964 . 5 1 1 A 76 76 MET C C 76 178.925 178.093 0.832 1 1 965 . 5 1 1 A 76 76 MET CA C 76 58.637 58.803 -0.166 1 1 966 . 5 1 1 A 76 76 MET CB C 76 32.344 32.352 -0.008 1 1 969 . 5 1 1 A 76 76 MET N N 76 116.794 119.168 -2.374 1 1 970 . 5 1 1 A 77 77 VAL H H 77 7.928 8.073 -0.145 1 1 971 . 5 1 1 A 77 77 VAL HA H 77 3.601 3.403 0.198 1 1 979 . 5 1 1 A 77 77 VAL C C 77 177.318 177.744 -0.426 1 1 980 . 5 1 1 A 77 77 VAL CA C 77 66.468 66.532 -0.064 1 1 981 . 5 1 1 A 77 77 VAL CB C 77 31.477 32.072 -0.595 1 1 984 . 5 1 1 A 77 77 VAL N N 77 117.999 118.881 -0.882 1 1 985 . 5 1 1 A 78 78 MET H H 78 8.446 8.161 0.285 1 1 986 . 5 1 1 A 78 78 MET HA H 78 4.136 4.135 0.001 1 1 994 . 5 1 1 A 78 78 MET C C 78 178.542 177.951 0.591 1 1 995 . 5 1 1 A 78 78 MET CA C 78 58.514 58.884 -0.370 1 1 996 . 5 1 1 A 78 78 MET CB C 78 31.036 32.762 -1.726 1 1 999 . 5 1 1 A 78 78 MET N N 78 119.079 117.451 1.628 1 1 1000 . 5 1 1 A 79 79 ASP H H 79 8.202 8.321 -0.119 1 1 1001 . 5 1 1 A 79 79 ASP HA H 79 4.419 4.229 0.190 1 1 1004 . 5 1 1 A 79 79 ASP C C 79 179.097 178.340 0.757 1 1 1005 . 5 1 1 A 79 79 ASP CA C 79 57.277 57.546 -0.269 1 1 1006 . 5 1 1 A 79 79 ASP CB C 79 39.813 41.595 -1.782 1 1 1007 . 5 1 1 A 79 79 ASP N N 79 119.422 120.204 -0.782 1 1 1008 . 5 1 1 A 80 80 ILE H H 80 7.625 7.905 -0.280 1 1 1009 . 5 1 1 A 80 80 ILE HA H 80 3.643 2.780 0.863 1 1 1019 . 5 1 1 A 80 80 ILE C C 80 178.024 177.305 0.719 1 1 1020 . 5 1 1 A 80 80 ILE CA C 80 64.717 65.056 -0.339 1 1 1021 . 5 1 1 A 80 80 ILE CB C 80 37.661 37.416 0.245 1 1 1025 . 5 1 1 A 80 80 ILE N N 80 121.750 118.511 3.239 1 1 1026 . 5 1 1 A 81 81 LEU H H 81 8.071 7.942 0.129 1 1 1027 . 5 1 1 A 81 81 LEU HA H 81 3.908 3.687 0.221 1 1 1037 . 5 1 1 A 81 81 LEU C C 81 178.852 179.433 -0.581 1 1 1038 . 5 1 1 A 81 81 LEU CA C 81 57.329 57.041 0.288 1 1 1039 . 5 1 1 A 81 81 LEU CB C 81 41.544 40.595 0.949 1 1 1043 . 5 1 1 A 81 81 LEU N N 81 119.850 117.416 2.434 1 1 1044 . 5 1 1 A 82 82 ASN H H 82 8.188 7.730 0.458 1 1 1045 . 5 1 1 A 82 82 ASN HA H 82 4.417 3.853 0.564 1 1 1050 . 5 1 1 A 82 82 ASN C C 82 176.440 177.176 -0.736 1 1 1051 . 5 1 1 A 82 82 ASN CA C 82 55.011 55.927 -0.916 1 1 1052 . 5 1 1 A 82 82 ASN CB C 82 38.461 38.558 -0.097 1 1 1053 . 5 1 1 A 82 82 ASN N N 82 116.186 117.515 -1.329 1 1 1055 . 5 1 1 A 83 83 PHE H H 83 7.779 7.545 0.234 1 1 1056 . 5 1 1 A 83 83 PHE HA H 83 4.352 4.412 -0.060 1 1 1064 . 5 1 1 A 83 83 PHE C C 83 176.767 177.497 -0.730 1 1 1065 . 5 1 1 A 83 83 PHE CA C 83 59.557 59.307 0.250 1 1 1066 . 5 1 1 A 83 83 PHE CB C 83 38.944 37.563 1.381 1 1 1070 . 5 1 1 A 83 83 PHE N N 83 118.925 117.342 1.583 1 1 1071 . 5 1 1 A 84 84 TYR H H 84 8.057 7.597 0.460 1 1 1072 . 5 1 1 A 84 84 TYR HA H 84 4.388 4.127 0.261 1 1 1079 . 5 1 1 A 84 84 TYR C C 84 176.233 177.038 -0.805 1 1 1080 . 5 1 1 A 84 84 TYR CA C 84 59.261 60.724 -1.463 1 1 1081 . 5 1 1 A 84 84 TYR CB C 84 38.503 38.797 -0.294 1 1 1084 . 5 1 1 A 84 84 TYR N N 84 118.223 119.528 -1.305 1 1 1085 . 5 1 1 A 85 85 ASN H H 85 8.192 7.573 0.619 1 1 1086 . 5 1 1 A 85 85 ASN HA H 85 4.679 4.886 -0.207 1 1 1091 . 5 1 1 A 85 85 ASN C C 85 175.367 175.982 -0.615 1 1 1092 . 5 1 1 A 85 85 ASN CA C 85 53.261 53.411 -0.150 1 1 1093 . 5 1 1 A 85 85 ASN CB C 85 38.501 40.872 -2.371 1 1 1094 . 5 1 1 A 85 85 ASN N N 85 118.935 114.252 4.683 1 1 1096 . 5 1 1 A 86 86 LYS H H 86 8.151 7.844 0.307 1 1 1097 . 5 1 1 A 86 86 LYS HA H 86 4.151 4.024 0.127 1 1 1106 . 5 1 1 A 86 86 LYS C C 86 176.981 176.998 -0.017 1 1 1107 . 5 1 1 A 86 86 LYS CA C 86 57.714 57.684 0.030 1 1 1108 . 5 1 1 A 86 86 LYS CB C 86 32.368 32.343 0.025 1 1 1112 . 5 1 1 A 86 86 LYS N N 86 121.533 118.401 3.132 1 1 1113 . 5 1 1 A 87 87 ASP H H 87 8.269 8.374 -0.105 1 1 1114 . 5 1 1 A 87 87 ASP HA H 87 4.553 4.418 0.135 1 1 1117 . 5 1 1 A 87 87 ASP C C 87 177.209 177.225 -0.016 1 1 1118 . 5 1 1 A 87 87 ASP CA C 87 55.538 57.102 -1.564 1 1 1119 . 5 1 1 A 87 87 ASP CB C 87 40.677 39.845 0.832 1 1 1120 . 5 1 1 A 87 87 ASP N N 87 119.408 118.493 0.915 1 1 1121 . 5 1 1 A 88 88 MET H H 88 7.941 8.157 -0.216 1 1 1122 . 5 1 1 A 88 88 MET HA H 88 4.257 4.683 -0.426 1 1 1130 . 5 1 1 A 88 88 MET C C 88 176.851 177.721 -0.870 1 1 1131 . 5 1 1 A 88 88 MET CA C 88 56.461 55.004 1.457 1 1 1132 . 5 1 1 A 88 88 MET CB C 88 32.371 33.418 -1.047 1 1 1135 . 5 1 1 A 88 88 MET N N 88 119.377 116.408 2.969 1 1 1136 . 5 1 1 A 89 89 TYR H H 89 8.094 7.880 0.214 1 1 1137 . 5 1 1 A 89 89 TYR HA H 89 4.350 4.122 0.228 1 1 1144 . 5 1 1 A 89 89 TYR C C 89 176.252 178.149 -1.897 1 1 1145 . 5 1 1 A 89 89 TYR CA C 89 59.097 61.038 -1.941 1 1 1146 . 5 1 1 A 89 89 TYR CB C 89 38.051 38.456 -0.405 1 1 1149 . 5 1 1 A 89 89 TYR N N 89 119.418 122.169 -2.751 1 1 1150 . 5 1 1 A 90 90 ASN H H 90 8.244 8.385 -0.141 1 1 1151 . 5 1 1 A 90 90 ASN HA H 90 4.573 4.643 -0.070 1 1 1156 . 5 1 1 A 90 90 ASN C C 90 175.907 177.470 -1.563 1 1 1157 . 5 1 1 A 90 90 ASN CA C 90 53.867 55.824 -1.957 1 1 1158 . 5 1 1 A 90 90 ASN CB C 90 38.479 38.651 -0.172 1 1 1159 . 5 1 1 A 90 90 ASN N N 90 118.918 117.809 1.109 1 1 1161 . 5 1 1 A 91 91 GLN H H 91 8.176 8.101 0.075 1 1 1162 . 5 1 1 A 91 91 GLN HA H 91 4.216 4.242 -0.026 1 1 1169 . 5 1 1 A 91 91 GLN C C 91 176.568 177.086 -0.518 1 1 1170 . 5 1 1 A 91 91 GLN CA C 91 56.600 58.326 -1.726 1 1 1171 . 5 1 1 A 91 91 GLN CB C 91 28.859 28.397 0.462 1 1 1173 . 5 1 1 A 91 91 GLN N N 91 119.648 117.718 1.930 1 1 1175 . 5 1 1 A 92 92 LEU H H 92 8.015 7.483 0.532 1 1 1176 . 5 1 1 A 92 92 LEU HA H 92 4.214 4.238 -0.024 1 1 1186 . 5 1 1 A 92 92 LEU C C 92 177.661 176.860 0.801 1 1 1187 . 5 1 1 A 92 92 LEU CA C 92 55.550 54.685 0.865 1 1 1188 . 5 1 1 A 92 92 LEU CB C 92 41.994 41.711 0.283 1 1 1192 . 5 1 1 A 92 92 LEU N N 92 121.059 117.722 3.337 1 1 1193 . 5 1 1 A 93 93 GLU H H 93 8.132 7.449 0.683 1 1 1194 . 5 1 1 A 93 93 GLU HA H 93 4.099 4.152 -0.053 1 1 1199 . 5 1 1 A 93 93 GLU C C 93 176.461 175.923 0.538 1 1 1200 . 5 1 1 A 93 93 GLU CA C 93 56.838 55.708 1.130 1 1 1201 . 5 1 1 A 93 93 GLU CB C 93 29.803 30.164 -0.361 1 1 1203 . 5 1 1 A 93 93 GLU N N 93 119.896 118.810 1.086 1 1 1204 . 5 1 1 A 94 94 HIS H H 94 8.134 8.508 -0.374 1 1 1205 . 5 1 1 A 94 94 HIS C C 94 174.994 175.542 -0.548 1 1 1206 . 5 1 1 A 94 94 HIS CA C 94 56.075 56.778 -0.703 1 1 1207 . 5 1 1 A 94 94 HIS CB C 94 29.997 29.584 0.413 1 1 1 . 6 1 1 A 2 2 ASP HA H 2 4.708 4.899 -0.191 1 1 4 . 6 1 1 A 2 2 ASP C C 2 176.847 176.359 0.488 1 1 5 . 6 1 1 A 2 2 ASP CA C 2 53.800 53.434 0.366 1 1 6 . 6 1 1 A 2 2 ASP CB C 2 40.922 39.674 1.248 1 1 7 . 6 1 1 A 3 3 GLN H H 3 9.117 8.446 0.671 1 1 8 . 6 1 1 A 3 3 GLN HA H 3 4.139 3.987 0.152 1 1 15 . 6 1 1 A 3 3 GLN C C 3 177.725 178.337 -0.612 1 1 16 . 6 1 1 A 3 3 GLN CA C 3 58.612 58.987 -0.375 1 1 17 . 6 1 1 A 3 3 GLN CB C 3 28.880 28.370 0.510 1 1 19 . 6 1 1 A 3 3 GLN N N 3 124.129 120.142 3.987 1 1 21 . 6 1 1 A 4 4 LEU H H 4 8.285 8.052 0.233 1 1 22 . 6 1 1 A 4 4 LEU HA H 4 3.947 3.704 0.243 1 1 32 . 6 1 1 A 4 4 LEU C C 4 178.111 179.304 -1.193 1 1 33 . 6 1 1 A 4 4 LEU CA C 4 56.421 57.783 -1.362 1 1 34 . 6 1 1 A 4 4 LEU CB C 4 40.690 41.426 -0.736 1 1 38 . 6 1 1 A 4 4 LEU N N 4 117.977 119.885 -1.908 1 1 39 . 6 1 1 A 5 5 LYS H H 5 7.624 7.974 -0.350 1 1 40 . 6 1 1 A 5 5 LYS HA H 5 3.837 3.958 -0.121 1 1 49 . 6 1 1 A 5 5 LYS C C 5 178.775 179.023 -0.248 1 1 50 . 6 1 1 A 5 5 LYS CA C 5 59.939 59.503 0.436 1 1 51 . 6 1 1 A 5 5 LYS CB C 5 32.344 32.139 0.205 1 1 55 . 6 1 1 A 5 5 LYS N N 5 121.000 120.504 0.496 1 1 56 . 6 1 1 A 6 6 THR H H 6 7.852 8.440 -0.588 1 1 57 . 6 1 1 A 6 6 THR HA H 6 3.908 3.989 -0.081 1 1 62 . 6 1 1 A 6 6 THR C C 6 176.483 176.592 -0.109 1 1 63 . 6 1 1 A 6 6 THR CA C 6 66.062 66.834 -0.772 1 1 64 . 6 1 1 A 6 6 THR CB C 6 68.255 68.334 -0.079 1 1 66 . 6 1 1 A 6 6 THR N N 6 115.606 116.266 -0.660 1 1 67 . 6 1 1 A 7 7 ILE H H 7 7.791 7.824 -0.033 1 1 68 . 6 1 1 A 7 7 ILE HA H 7 3.422 3.528 -0.106 1 1 78 . 6 1 1 A 7 7 ILE C C 7 177.219 177.668 -0.449 1 1 79 . 6 1 1 A 7 7 ILE CA C 7 65.799 65.302 0.497 1 1 80 . 6 1 1 A 7 7 ILE CB C 7 37.619 37.595 0.024 1 1 84 . 6 1 1 A 7 7 ILE N N 7 122.292 121.593 0.699 1 1 85 . 6 1 1 A 8 8 LYS H H 8 8.233 8.140 0.093 1 1 86 . 6 1 1 A 8 8 LYS HA H 8 3.721 3.789 -0.068 1 1 95 . 6 1 1 A 8 8 LYS C C 8 179.054 179.974 -0.920 1 1 96 . 6 1 1 A 8 8 LYS CA C 8 60.378 60.455 -0.077 1 1 97 . 6 1 1 A 8 8 LYS CB C 8 31.990 32.000 -0.010 1 1 101 . 6 1 1 A 8 8 LYS N N 8 119.853 118.330 1.523 1 1 102 . 6 1 1 A 9 9 GLU H H 9 7.677 8.350 -0.673 1 1 103 . 6 1 1 A 9 9 GLU HA H 9 4.138 4.022 0.116 1 1 108 . 6 1 1 A 9 9 GLU C C 9 178.839 179.543 -0.704 1 1 109 . 6 1 1 A 9 9 GLU CA C 9 59.045 58.955 0.090 1 1 110 . 6 1 1 A 9 9 GLU CB C 9 28.877 29.342 -0.465 1 1 112 . 6 1 1 A 9 9 GLU N N 9 118.933 120.602 -1.669 1 1 113 . 6 1 1 A 10 10 LEU H H 10 7.996 8.240 -0.244 1 1 114 . 6 1 1 A 10 10 LEU HA H 10 4.027 4.000 0.027 1 1 124 . 6 1 1 A 10 10 LEU C C 10 179.717 179.212 0.505 1 1 125 . 6 1 1 A 10 10 LEU CA C 10 58.212 58.025 0.187 1 1 126 . 6 1 1 A 10 10 LEU CB C 10 41.994 41.756 0.238 1 1 130 . 6 1 1 A 10 10 LEU N N 10 120.361 121.010 -0.649 1 1 131 . 6 1 1 A 11 11 ILE H H 11 8.059 8.088 -0.029 1 1 132 . 6 1 1 A 11 11 ILE HA H 11 3.233 3.453 -0.220 1 1 142 . 6 1 1 A 11 11 ILE C C 11 179.525 178.380 1.145 1 1 143 . 6 1 1 A 11 11 ILE CA C 11 65.782 65.323 0.459 1 1 144 . 6 1 1 A 11 11 ILE CB C 11 37.620 37.419 0.201 1 1 148 . 6 1 1 A 11 11 ILE N N 11 118.455 119.850 -1.395 1 1 149 . 6 1 1 A 12 12 ASN H H 12 8.219 8.491 -0.272 1 1 150 . 6 1 1 A 12 12 ASN HA H 12 4.355 4.474 -0.119 1 1 155 . 6 1 1 A 12 12 ASN C C 12 177.168 178.362 -1.194 1 1 156 . 6 1 1 A 12 12 ASN CA C 12 55.945 56.531 -0.586 1 1 157 . 6 1 1 A 12 12 ASN CB C 12 38.012 37.777 0.235 1 1 158 . 6 1 1 A 12 12 ASN N N 12 120.732 119.201 1.531 1 1 160 . 6 1 1 A 13 13 GLN H H 13 8.028 7.935 0.093 1 1 161 . 6 1 1 A 13 13 GLN HA H 13 4.295 4.092 0.203 1 1 168 . 6 1 1 A 13 13 GLN C C 13 176.418 175.816 0.602 1 1 169 . 6 1 1 A 13 13 GLN CA C 13 55.821 58.106 -2.285 1 1 170 . 6 1 1 A 13 13 GLN CB C 13 28.852 29.118 -0.266 1 1 172 . 6 1 1 A 13 13 GLN N N 13 116.080 116.523 -0.443 1 1 174 . 6 1 1 A 14 14 GLY H H 14 7.853 8.066 -0.213 1 1 175 . 6 1 1 A 14 14 GLY HA2 H 14 4.337 3.995 0.342 1 1 176 . 6 1 1 A 14 14 GLY HA3 H 14 3.511 4.003 -0.492 1 1 177 . 6 1 1 A 14 14 GLY C C 14 174.233 174.383 -0.150 1 1 178 . 6 1 1 A 14 14 GLY CA C 14 45.063 45.167 -0.104 1 1 179 . 6 1 1 A 14 14 GLY N N 14 107.118 106.615 0.503 1 1 180 . 6 1 1 A 15 15 ASP H H 15 8.325 7.701 0.624 1 1 181 . 6 1 1 A 15 15 ASP HA H 15 4.973 4.812 0.161 1 1 184 . 6 1 1 A 15 15 ASP C C 15 176.427 176.020 0.407 1 1 185 . 6 1 1 A 15 15 ASP CA C 15 51.828 53.007 -1.179 1 1 186 . 6 1 1 A 15 15 ASP CB C 15 38.583 38.560 0.023 1 1 187 . 6 1 1 A 15 15 ASP N N 15 125.524 120.545 4.979 1 1 188 . 6 1 1 A 16 16 ILE H H 16 7.615 8.007 -0.392 1 1 189 . 6 1 1 A 16 16 ILE HA H 16 3.353 3.661 -0.308 1 1 199 . 6 1 1 A 16 16 ILE C C 16 177.618 177.604 0.014 1 1 200 . 6 1 1 A 16 16 ILE CA C 16 62.996 64.953 -1.957 1 1 201 . 6 1 1 A 16 16 ILE CB C 16 35.856 37.814 -1.958 1 1 205 . 6 1 1 A 16 16 ILE N N 16 119.875 123.678 -3.803 1 1 206 . 6 1 1 A 17 17 GLU H H 17 8.844 8.255 0.589 1 1 207 . 6 1 1 A 17 17 GLU HA H 17 3.887 3.858 0.029 1 1 212 . 6 1 1 A 17 17 GLU C C 17 179.739 179.647 0.092 1 1 213 . 6 1 1 A 17 17 GLU CA C 17 60.364 59.710 0.654 1 1 214 . 6 1 1 A 17 17 GLU CB C 17 28.670 29.151 -0.481 1 1 216 . 6 1 1 A 17 17 GLU N N 17 120.080 118.774 1.306 1 1 217 . 6 1 1 A 18 18 ASN H H 18 7.768 7.914 -0.146 1 1 218 . 6 1 1 A 18 18 ASN HA H 18 4.535 4.392 0.143 1 1 223 . 6 1 1 A 18 18 ASN C C 18 178.197 177.803 0.394 1 1 224 . 6 1 1 A 18 18 ASN CA C 18 55.682 56.318 -0.636 1 1 225 . 6 1 1 A 18 18 ASN CB C 18 37.615 37.635 -0.020 1 1 226 . 6 1 1 A 18 18 ASN N N 18 116.056 118.694 -2.638 1 1 228 . 6 1 1 A 19 19 ALA H H 19 7.989 7.826 0.163 1 1 229 . 6 1 1 A 19 19 ALA HA H 19 3.870 4.044 -0.174 1 1 233 . 6 1 1 A 19 19 ALA C C 19 178.732 179.949 -1.217 1 1 234 . 6 1 1 A 19 19 ALA CA C 19 55.543 55.049 0.494 1 1 235 . 6 1 1 A 19 19 ALA CB C 19 18.362 18.410 -0.048 1 1 236 . 6 1 1 A 19 19 ALA N N 19 123.900 122.738 1.162 1 1 237 . 6 1 1 A 20 20 LEU H H 20 8.589 8.576 0.013 1 1 238 . 6 1 1 A 20 20 LEU HA H 20 3.856 3.759 0.097 1 1 248 . 6 1 1 A 20 20 LEU C C 20 179.139 178.730 0.409 1 1 249 . 6 1 1 A 20 20 LEU CA C 20 58.169 58.060 0.109 1 1 250 . 6 1 1 A 20 20 LEU CB C 20 41.569 41.516 0.053 1 1 254 . 6 1 1 A 20 20 LEU N N 20 117.052 118.364 -1.312 1 1 255 . 6 1 1 A 21 21 GLN H H 21 7.439 8.295 -0.856 1 1 256 . 6 1 1 A 21 21 GLN HA H 21 4.029 4.002 0.027 1 1 263 . 6 1 1 A 21 21 GLN C C 21 178.411 177.911 0.500 1 1 264 . 6 1 1 A 21 21 GLN CA C 21 58.730 58.521 0.209 1 1 265 . 6 1 1 A 21 21 GLN CB C 21 28.002 27.907 0.095 1 1 267 . 6 1 1 A 21 21 GLN N N 21 118.218 117.177 1.041 1 1 269 . 6 1 1 A 22 22 ALA H H 22 7.848 7.788 0.060 1 1 270 . 6 1 1 A 22 22 ALA HA H 22 4.191 4.086 0.105 1 1 274 . 6 1 1 A 22 22 ALA C C 22 181.475 180.030 1.445 1 1 275 . 6 1 1 A 22 22 ALA CA C 22 54.631 55.028 -0.397 1 1 276 . 6 1 1 A 22 22 ALA CB C 22 17.907 18.300 -0.393 1 1 277 . 6 1 1 A 22 22 ALA N N 22 121.474 122.111 -0.637 1 1 278 . 6 1 1 A 23 23 LEU H H 23 8.751 8.325 0.426 1 1 279 . 6 1 1 A 23 23 LEU HA H 23 3.906 3.863 0.043 1 1 289 . 6 1 1 A 23 23 LEU C C 23 177.996 179.574 -1.578 1 1 290 . 6 1 1 A 23 23 LEU CA C 23 58.155 58.158 -0.003 1 1 291 . 6 1 1 A 23 23 LEU CB C 23 42.020 41.460 0.560 1 1 295 . 6 1 1 A 23 23 LEU N N 23 122.246 119.842 2.404 1 1 296 . 6 1 1 A 24 24 GLU H H 24 8.247 8.442 -0.195 1 1 297 . 6 1 1 A 24 24 GLU HA H 24 3.971 3.898 0.073 1 1 302 . 6 1 1 A 24 24 GLU C C 24 179.751 179.529 0.222 1 1 303 . 6 1 1 A 24 24 GLU CA C 24 59.506 59.904 -0.398 1 1 304 . 6 1 1 A 24 24 GLU CB C 24 28.849 29.227 -0.378 1 1 306 . 6 1 1 A 24 24 GLU N N 24 119.875 117.537 2.338 1 1 307 . 6 1 1 A 25 25 GLU H H 25 7.736 8.021 -0.285 1 1 308 . 6 1 1 A 25 25 GLU HA H 25 4.013 4.052 -0.039 1 1 313 . 6 1 1 A 25 25 GLU C C 25 179.204 179.361 -0.157 1 1 314 . 6 1 1 A 25 25 GLU CA C 25 59.058 59.249 -0.191 1 1 315 . 6 1 1 A 25 25 GLU CB C 25 29.238 29.454 -0.216 1 1 317 . 6 1 1 A 25 25 GLU N N 25 118.451 120.806 -2.355 1 1 318 . 6 1 1 A 26 26 PHE H H 26 8.389 8.309 0.080 1 1 319 . 6 1 1 A 26 26 PHE HA H 26 4.218 4.214 0.004 1 1 327 . 6 1 1 A 26 26 PHE C C 26 178.732 177.224 1.508 1 1 328 . 6 1 1 A 26 26 PHE CA C 26 61.020 60.928 0.092 1 1 329 . 6 1 1 A 26 26 PHE CB C 26 39.383 39.278 0.105 1 1 333 . 6 1 1 A 26 26 PHE N N 26 122.243 121.539 0.704 1 1 334 . 6 1 1 A 27 27 LEU H H 27 8.643 8.403 0.240 1 1 335 . 6 1 1 A 27 27 LEU HA H 27 3.666 3.917 -0.251 1 1 345 . 6 1 1 A 27 27 LEU C C 27 179.172 178.271 0.901 1 1 346 . 6 1 1 A 27 27 LEU CA C 27 57.728 57.205 0.523 1 1 347 . 6 1 1 A 27 27 LEU CB C 27 42.008 41.437 0.571 1 1 351 . 6 1 1 A 27 27 LEU N N 27 119.374 118.806 0.568 1 1 352 . 6 1 1 A 28 28 GLN H H 28 7.536 7.763 -0.227 1 1 353 . 6 1 1 A 28 28 GLN HA H 28 4.215 4.251 -0.036 1 1 360 . 6 1 1 A 28 28 GLN C C 28 177.261 177.008 0.253 1 1 361 . 6 1 1 A 28 28 GLN CA C 28 57.287 57.080 0.207 1 1 362 . 6 1 1 A 28 28 GLN CB C 28 28.832 28.971 -0.139 1 1 364 . 6 1 1 A 28 28 GLN N N 28 116.095 117.473 -1.378 1 1 366 . 6 1 1 A 29 29 THR H H 29 7.480 7.690 -0.210 1 1 367 . 6 1 1 A 29 29 THR HA H 29 4.332 4.328 0.004 1 1 372 . 6 1 1 A 29 29 THR C C 29 174.092 173.889 0.203 1 1 373 . 6 1 1 A 29 29 THR CA C 29 62.533 62.359 0.174 1 1 374 . 6 1 1 A 29 29 THR CB C 29 70.435 68.992 1.443 1 1 376 . 6 1 1 A 29 29 THR N N 29 108.609 109.786 -1.177 1 1 377 . 6 1 1 A 30 30 GLU H H 30 7.935 7.199 0.736 1 1 378 . 6 1 1 A 30 30 GLU HA H 30 4.221 4.623 -0.402 1 1 383 . 6 1 1 A 30 30 GLU CA C 30 54.719 53.248 1.471 1 1 384 . 6 1 1 A 30 30 GLU CB C 30 28.002 30.231 -2.229 1 1 386 . 6 1 1 A 30 30 GLU N N 30 119.400 119.883 -0.483 1 1 387 . 6 1 1 A 31 31 PRO HA H 31 4.430 4.395 0.035 1 1 394 . 6 1 1 A 31 31 PRO C C 31 177.447 177.528 -0.081 1 1 395 . 6 1 1 A 31 31 PRO CA C 31 62.992 64.701 -1.709 1 1 396 . 6 1 1 A 31 31 PRO CB C 31 32.354 31.982 0.372 1 1 399 . 6 1 1 A 32 32 VAL H H 32 7.989 7.883 0.106 1 1 400 . 6 1 1 A 32 32 VAL HA H 32 4.211 3.942 0.269 1 1 408 . 6 1 1 A 32 32 VAL C C 32 176.778 177.087 -0.309 1 1 409 . 6 1 1 A 32 32 VAL CA C 32 62.755 64.471 -1.716 1 1 410 . 6 1 1 A 32 32 VAL CB C 32 32.697 31.651 1.046 1 1 412 . 6 1 1 A 32 32 VAL N N 32 118.439 116.005 2.434 1 1 413 . 6 1 1 A 33 33 GLY H H 33 8.764 7.846 0.918 1 1 414 . 6 1 1 A 33 33 GLY HA2 H 33 4.195 4.172 0.023 1 1 415 . 6 1 1 A 33 33 GLY HA3 H 33 4.195 4.374 -0.179 1 1 416 . 6 1 1 A 33 33 GLY C C 33 176.287 175.197 1.090 1 1 417 . 6 1 1 A 33 33 GLY CA C 33 45.917 45.504 0.413 1 1 418 . 6 1 1 A 33 33 GLY N N 33 111.588 108.856 2.732 1 1 419 . 6 1 1 A 34 34 LYS H H 34 8.296 7.555 0.741 1 1 420 . 6 1 1 A 34 34 LYS HA H 34 3.839 4.139 -0.300 1 1 429 . 6 1 1 A 34 34 LYS C C 34 177.040 179.164 -2.124 1 1 430 . 6 1 1 A 34 34 LYS CA C 34 59.883 59.553 0.330 1 1 431 . 6 1 1 A 34 34 LYS CB C 34 32.883 32.099 0.784 1 1 435 . 6 1 1 A 34 34 LYS N N 34 119.887 120.149 -0.262 1 1 436 . 6 1 1 A 35 35 ASP H H 35 9.065 8.733 0.332 1 1 437 . 6 1 1 A 35 35 ASP HA H 35 4.362 4.539 -0.177 1 1 440 . 6 1 1 A 35 35 ASP C C 35 177.018 178.722 -1.704 1 1 441 . 6 1 1 A 35 35 ASP CA C 35 57.636 57.258 0.378 1 1 442 . 6 1 1 A 35 35 ASP CB C 35 41.086 40.006 1.080 1 1 443 . 6 1 1 A 35 35 ASP N N 35 115.065 118.515 -3.450 1 1 444 . 6 1 1 A 36 36 GLU H H 36 7.474 8.248 -0.774 1 1 445 . 6 1 1 A 36 36 GLU HA H 36 4.275 4.139 0.136 1 1 450 . 6 1 1 A 36 36 GLU C C 36 178.261 178.601 -0.340 1 1 451 . 6 1 1 A 36 36 GLU CA C 36 59.046 59.420 -0.374 1 1 452 . 6 1 1 A 36 36 GLU CB C 36 29.283 29.168 0.115 1 1 454 . 6 1 1 A 36 36 GLU N N 36 121.291 120.102 1.189 1 1 455 . 6 1 1 A 37 37 ALA H H 37 7.674 7.953 -0.279 1 1 456 . 6 1 1 A 37 37 ALA HA H 37 3.887 4.066 -0.179 1 1 460 . 6 1 1 A 37 37 ALA C C 37 179.161 179.666 -0.505 1 1 461 . 6 1 1 A 37 37 ALA CA C 37 55.091 55.069 0.022 1 1 462 . 6 1 1 A 37 37 ALA CB C 37 17.925 18.506 -0.581 1 1 463 . 6 1 1 A 37 37 ALA N N 37 120.365 121.966 -1.601 1 1 464 . 6 1 1 A 38 38 TYR H H 38 8.175 8.413 -0.238 1 1 465 . 6 1 1 A 38 38 TYR HA H 38 4.422 4.292 0.130 1 1 472 . 6 1 1 A 38 38 TYR C C 38 178.497 178.324 0.173 1 1 473 . 6 1 1 A 38 38 TYR CA C 38 62.662 61.214 1.448 1 1 474 . 6 1 1 A 38 38 TYR CB C 38 37.996 37.925 0.071 1 1 477 . 6 1 1 A 38 38 TYR N N 38 117.027 116.112 0.915 1 1 478 . 6 1 1 A 39 39 TYR H H 39 8.321 8.218 0.103 1 1 479 . 6 1 1 A 39 39 TYR HA H 39 4.413 4.305 0.108 1 1 486 . 6 1 1 A 39 39 TYR C C 39 176.311 177.036 -0.725 1 1 487 . 6 1 1 A 39 39 TYR CA C 39 60.856 61.809 -0.953 1 1 488 . 6 1 1 A 39 39 TYR CB C 39 38.015 38.928 -0.913 1 1 491 . 6 1 1 A 39 39 TYR N N 39 120.527 120.953 -0.426 1 1 492 . 6 1 1 A 40 40 LEU H H 40 8.508 8.722 -0.214 1 1 493 . 6 1 1 A 40 40 LEU HA H 40 3.585 3.966 -0.381 1 1 503 . 6 1 1 A 40 40 LEU C C 40 178.857 179.210 -0.353 1 1 504 . 6 1 1 A 40 40 LEU CA C 40 57.723 57.660 0.063 1 1 505 . 6 1 1 A 40 40 LEU CB C 40 41.543 41.191 0.352 1 1 509 . 6 1 1 A 40 40 LEU N N 40 118.925 120.372 -1.447 1 1 510 . 6 1 1 A 41 41 MET H H 41 8.661 8.390 0.271 1 1 511 . 6 1 1 A 41 41 MET HA H 41 3.611 3.924 -0.313 1 1 519 . 6 1 1 A 41 41 MET C C 41 178.325 179.053 -0.728 1 1 520 . 6 1 1 A 41 41 MET CA C 41 59.498 59.105 0.393 1 1 521 . 6 1 1 A 41 41 MET CB C 41 32.806 32.670 0.136 1 1 524 . 6 1 1 A 41 41 MET N N 41 119.892 118.021 1.871 1 1 525 . 6 1 1 A 42 42 GLY H H 42 8.531 8.150 0.381 1 1 526 . 6 1 1 A 42 42 GLY HA2 H 42 3.564 2.638 0.926 1 1 527 . 6 1 1 A 42 42 GLY HA3 H 42 3.164 3.582 -0.418 1 1 528 . 6 1 1 A 42 42 GLY C C 42 174.726 176.120 -1.394 1 1 529 . 6 1 1 A 42 42 GLY CA C 42 48.104 47.020 1.084 1 1 530 . 6 1 1 A 42 42 GLY N N 42 107.064 108.647 -1.583 1 1 531 . 6 1 1 A 43 43 ASN H H 43 8.260 7.536 0.724 1 1 532 . 6 1 1 A 43 43 ASN HA H 43 4.334 4.473 -0.139 1 1 537 . 6 1 1 A 43 43 ASN C C 43 178.111 177.827 0.284 1 1 538 . 6 1 1 A 43 43 ASN CA C 43 54.966 56.326 -1.360 1 1 539 . 6 1 1 A 43 43 ASN CB C 43 36.326 38.182 -1.856 1 1 540 . 6 1 1 A 43 43 ASN N N 43 120.815 120.093 0.722 1 1 542 . 6 1 1 A 44 44 ALA H H 44 8.487 7.926 0.561 1 1 543 . 6 1 1 A 44 44 ALA HA H 44 3.788 3.969 -0.181 1 1 547 . 6 1 1 A 44 44 ALA C C 44 178.389 179.568 -1.179 1 1 548 . 6 1 1 A 44 44 ALA CA C 44 55.152 54.936 0.216 1 1 549 . 6 1 1 A 44 44 ALA CB C 44 16.897 17.869 -0.972 1 1 550 . 6 1 1 A 44 44 ALA N N 44 125.304 122.917 2.387 1 1 551 . 6 1 1 A 45 45 TYR H H 45 8.160 8.284 -0.124 1 1 552 . 6 1 1 A 45 45 TYR HA H 45 4.168 4.227 -0.059 1 1 559 . 6 1 1 A 45 45 TYR C C 45 178.775 178.012 0.763 1 1 560 . 6 1 1 A 45 45 TYR CA C 45 62.995 61.735 1.260 1 1 561 . 6 1 1 A 45 45 TYR CB C 45 36.944 37.669 -0.725 1 1 564 . 6 1 1 A 45 45 TYR N N 45 115.156 116.005 -0.849 1 1 565 . 6 1 1 A 46 46 ARG H H 46 8.901 8.239 0.662 1 1 566 . 6 1 1 A 46 46 ARG HA H 46 3.677 3.497 0.180 1 1 573 . 6 1 1 A 46 46 ARG C C 46 179.396 179.056 0.340 1 1 574 . 6 1 1 A 46 46 ARG CA C 46 59.924 59.343 0.581 1 1 575 . 6 1 1 A 46 46 ARG CB C 46 30.131 29.636 0.495 1 1 578 . 6 1 1 A 46 46 ARG N N 46 121.781 121.272 0.509 1 1 579 . 6 1 1 A 47 47 LYS H H 47 7.813 7.484 0.329 1 1 580 . 6 1 1 A 47 47 LYS HA H 47 4.058 3.993 0.065 1 1 589 . 6 1 1 A 47 47 LYS C C 47 178.111 179.508 -1.397 1 1 590 . 6 1 1 A 47 47 LYS CA C 47 58.950 59.036 -0.086 1 1 591 . 6 1 1 A 47 47 LYS CB C 47 31.906 31.777 0.129 1 1 595 . 6 1 1 A 47 47 LYS N N 47 120.818 118.506 2.312 1 1 596 . 6 1 1 A 48 48 LEU H H 48 7.312 7.292 0.020 1 1 597 . 6 1 1 A 48 48 LEU HA H 48 4.228 4.034 0.194 1 1 607 . 6 1 1 A 48 48 LEU C C 48 177.254 177.173 0.081 1 1 608 . 6 1 1 A 48 48 LEU CA C 48 54.908 56.197 -1.289 1 1 609 . 6 1 1 A 48 48 LEU CB C 48 42.475 42.826 -0.351 1 1 613 . 6 1 1 A 48 48 LEU N N 48 116.553 117.729 -1.176 1 1 614 . 6 1 1 A 49 49 GLY H H 49 7.564 8.006 -0.442 1 1 615 . 6 1 1 A 49 49 GLY HA2 H 49 3.607 3.681 -0.074 1 1 616 . 6 1 1 A 49 49 GLY HA3 H 49 2.316 3.905 -1.589 1 1 617 . 6 1 1 A 49 49 GLY C C 49 172.900 173.286 -0.386 1 1 618 . 6 1 1 A 49 49 GLY CA C 49 44.184 44.681 -0.497 1 1 619 . 6 1 1 A 49 49 GLY N N 49 107.326 105.834 1.492 1 1 620 . 6 1 1 A 50 50 ASP H H 50 7.670 7.616 0.054 1 1 621 . 6 1 1 A 50 50 ASP HA H 50 4.564 4.761 -0.197 1 1 624 . 6 1 1 A 50 50 ASP C C 50 175.681 176.400 -0.719 1 1 625 . 6 1 1 A 50 50 ASP CA C 50 51.083 52.554 -1.471 1 1 626 . 6 1 1 A 50 50 ASP CB C 50 39.169 40.348 -1.179 1 1 627 . 6 1 1 A 50 50 ASP N N 50 120.356 120.329 0.027 1 1 628 . 6 1 1 A 51 51 TRP H H 51 6.939 8.200 -1.261 1 1 629 . 6 1 1 A 51 51 TRP HA H 51 4.314 4.440 -0.126 1 1 638 . 6 1 1 A 51 51 TRP C C 51 178.047 178.895 -0.848 1 1 639 . 6 1 1 A 51 51 TRP CA C 51 58.473 59.899 -1.426 1 1 640 . 6 1 1 A 51 51 TRP CB C 51 30.099 29.137 0.962 1 1 646 . 6 1 1 A 51 51 TRP N N 51 121.784 125.227 -3.443 1 1 648 . 6 1 1 A 52 52 GLN H H 52 8.677 8.187 0.490 1 1 649 . 6 1 1 A 52 52 GLN HA H 52 3.960 3.881 0.079 1 1 656 . 6 1 1 A 52 52 GLN C C 52 178.454 179.012 -0.558 1 1 657 . 6 1 1 A 52 52 GLN CA C 52 58.925 59.419 -0.494 1 1 658 . 6 1 1 A 52 52 GLN CB C 52 28.183 28.681 -0.498 1 1 660 . 6 1 1 A 52 52 GLN N N 52 117.018 119.601 -2.583 1 1 662 . 6 1 1 A 53 53 LYS H H 53 7.392 8.285 -0.893 1 1 663 . 6 1 1 A 53 53 LYS HA H 53 3.774 3.794 -0.020 1 1 672 . 6 1 1 A 53 53 LYS C C 53 180.361 178.627 1.734 1 1 673 . 6 1 1 A 53 53 LYS CA C 53 59.764 59.135 0.629 1 1 674 . 6 1 1 A 53 53 LYS CB C 53 30.802 31.576 -0.774 1 1 678 . 6 1 1 A 53 53 LYS N N 53 117.913 119.424 -1.511 1 1 679 . 6 1 1 A 54 54 ALA H H 54 8.223 7.533 0.690 1 1 680 . 6 1 1 A 54 54 ALA HA H 54 4.012 3.972 0.040 1 1 684 . 6 1 1 A 54 54 ALA C C 54 177.635 180.163 -2.528 1 1 685 . 6 1 1 A 54 54 ALA CA C 54 55.792 55.138 0.654 1 1 686 . 6 1 1 A 54 54 ALA CB C 54 17.045 18.566 -1.521 1 1 687 . 6 1 1 A 54 54 ALA N N 54 123.665 122.018 1.647 1 1 688 . 6 1 1 A 55 55 LEU H H 55 8.425 8.706 -0.281 1 1 689 . 6 1 1 A 55 55 LEU HA H 55 4.010 4.099 -0.089 1 1 699 . 6 1 1 A 55 55 LEU C C 55 179.568 179.337 0.231 1 1 700 . 6 1 1 A 55 55 LEU CA C 55 58.611 58.310 0.301 1 1 701 . 6 1 1 A 55 55 LEU CB C 55 41.500 42.106 -0.606 1 1 705 . 6 1 1 A 55 55 LEU N N 55 116.583 118.531 -1.948 1 1 706 . 6 1 1 A 56 56 ASN H H 56 8.284 8.332 -0.048 1 1 707 . 6 1 1 A 56 56 ASN HA H 56 4.360 4.431 -0.071 1 1 712 . 6 1 1 A 56 56 ASN C C 56 177.790 178.387 -0.597 1 1 713 . 6 1 1 A 56 56 ASN CA C 56 55.852 56.687 -0.835 1 1 714 . 6 1 1 A 56 56 ASN CB C 56 37.882 37.945 -0.063 1 1 715 . 6 1 1 A 56 56 ASN N N 56 117.763 117.293 0.470 1 1 717 . 6 1 1 A 57 57 ASN H H 57 7.600 8.429 -0.829 1 1 718 . 6 1 1 A 57 57 ASN HA H 57 4.425 4.354 0.071 1 1 723 . 6 1 1 A 57 57 ASN C C 57 177.404 177.872 -0.468 1 1 724 . 6 1 1 A 57 57 ASN CA C 57 58.105 56.368 1.737 1 1 725 . 6 1 1 A 57 57 ASN CB C 57 38.931 38.359 0.572 1 1 726 . 6 1 1 A 57 57 ASN N N 57 118.927 117.320 1.607 1 1 728 . 6 1 1 A 58 58 TYR H H 58 8.838 8.412 0.426 1 1 729 . 6 1 1 A 58 58 TYR HA H 58 4.667 4.413 0.254 1 1 736 . 6 1 1 A 58 58 TYR C C 58 178.047 178.506 -0.459 1 1 737 . 6 1 1 A 58 58 TYR CA C 58 58.430 61.762 -3.332 1 1 738 . 6 1 1 A 58 58 TYR CB C 58 36.743 38.040 -1.297 1 1 741 . 6 1 1 A 58 58 TYR N N 58 118.473 119.180 -0.707 1 1 742 . 6 1 1 A 59 59 GLN H H 59 8.572 8.389 0.183 1 1 743 . 6 1 1 A 59 59 GLN HA H 59 4.022 4.147 -0.125 1 1 750 . 6 1 1 A 59 59 GLN C C 59 178.040 178.345 -0.305 1 1 751 . 6 1 1 A 59 59 GLN CA C 59 59.054 58.979 0.075 1 1 752 . 6 1 1 A 59 59 GLN CB C 59 27.126 28.719 -1.593 1 1 754 . 6 1 1 A 59 59 GLN N N 59 118.483 120.225 -1.742 1 1 756 . 6 1 1 A 60 60 SER H H 60 7.696 8.199 -0.503 1 1 757 . 6 1 1 A 60 60 SER HA H 60 3.931 3.954 -0.023 1 1 760 . 6 1 1 A 60 60 SER C C 60 175.926 176.202 -0.276 1 1 761 . 6 1 1 A 60 60 SER CA C 60 62.121 61.645 0.476 1 1 762 . 6 1 1 A 60 60 SER CB C 60 61.244 62.118 -0.874 1 1 763 . 6 1 1 A 60 60 SER N N 60 116.103 117.378 -1.275 1 1 764 . 6 1 1 A 61 61 ALA H H 61 7.739 7.461 0.278 1 1 765 . 6 1 1 A 61 61 ALA HA H 61 4.075 4.300 -0.225 1 1 769 . 6 1 1 A 61 61 ALA C C 61 178.686 179.967 -1.281 1 1 770 . 6 1 1 A 61 61 ALA CA C 61 56.019 55.155 0.864 1 1 771 . 6 1 1 A 61 61 ALA CB C 61 18.790 18.758 0.032 1 1 772 . 6 1 1 A 61 61 ALA N N 61 122.319 122.694 -0.375 1 1 773 . 6 1 1 A 62 62 ILE H H 62 7.991 7.690 0.301 1 1 774 . 6 1 1 A 62 62 ILE HA H 62 3.857 3.589 0.268 1 1 784 . 6 1 1 A 62 62 ILE C C 62 178.131 178.210 -0.079 1 1 785 . 6 1 1 A 62 62 ILE CA C 62 63.418 65.401 -1.983 1 1 786 . 6 1 1 A 62 62 ILE CB C 62 39.119 37.857 1.262 1 1 790 . 6 1 1 A 62 62 ILE N N 62 117.981 119.213 -1.232 1 1 791 . 6 1 1 A 63 63 GLU H H 63 7.988 8.014 -0.026 1 1 792 . 6 1 1 A 63 63 GLU HA H 63 3.902 4.209 -0.307 1 1 797 . 6 1 1 A 63 63 GLU C C 63 178.564 179.123 -0.559 1 1 798 . 6 1 1 A 63 63 GLU CA C 63 58.594 59.151 -0.557 1 1 799 . 6 1 1 A 63 63 GLU CB C 63 29.278 29.177 0.101 1 1 801 . 6 1 1 A 63 63 GLU N N 63 118.190 119.120 -0.930 1 1 802 . 6 1 1 A 64 64 LEU H H 64 7.024 7.119 -0.095 1 1 803 . 6 1 1 A 64 64 LEU HA H 64 4.347 4.226 0.121 1 1 813 . 6 1 1 A 64 64 LEU C C 64 177.496 177.091 0.405 1 1 814 . 6 1 1 A 64 64 LEU CA C 64 55.810 56.807 -0.997 1 1 815 . 6 1 1 A 64 64 LEU CB C 64 43.746 42.827 0.919 1 1 819 . 6 1 1 A 64 64 LEU N N 64 116.109 118.905 -2.796 1 1 820 . 6 1 1 A 65 65 ASN H H 65 8.270 7.910 0.360 1 1 821 . 6 1 1 A 65 65 ASN HA H 65 5.068 5.102 -0.034 1 1 826 . 6 1 1 A 65 65 ASN C C 65 172.512 174.329 -1.817 1 1 827 . 6 1 1 A 65 65 ASN CA C 65 49.457 51.085 -1.628 1 1 828 . 6 1 1 A 65 65 ASN CB C 65 38.936 41.490 -2.554 1 1 829 . 6 1 1 A 65 65 ASN N N 65 116.544 112.935 3.609 1 1 831 . 6 1 1 A 66 66 PRO HA H 66 4.467 4.502 -0.035 1 1 838 . 6 1 1 A 66 66 PRO C C 66 176.054 176.565 -0.511 1 1 839 . 6 1 1 A 66 66 PRO CA C 66 63.894 64.117 -0.223 1 1 840 . 6 1 1 A 66 66 PRO CB C 66 31.935 31.807 0.128 1 1 843 . 6 1 1 A 67 67 ASP H H 67 7.326 8.332 -1.006 1 1 844 . 6 1 1 A 67 67 ASP HA H 67 4.863 4.800 0.063 1 1 847 . 6 1 1 A 67 67 ASP C C 67 175.647 175.051 0.596 1 1 848 . 6 1 1 A 67 67 ASP CA C 67 53.273 53.834 -0.561 1 1 849 . 6 1 1 A 67 67 ASP CB C 67 41.453 41.247 0.206 1 1 850 . 6 1 1 A 67 67 ASP N N 67 114.579 117.829 -3.250 1 1 851 . 6 1 1 A 68 68 SER H H 68 7.670 7.756 -0.086 1 1 852 . 6 1 1 A 68 68 SER HA H 68 4.315 4.897 -0.582 1 1 856 . 6 1 1 A 68 68 SER C C 68 175.108 173.934 1.174 1 1 857 . 6 1 1 A 68 68 SER CA C 68 56.422 54.987 1.435 1 1 858 . 6 1 1 A 68 68 SER CB C 68 63.880 64.621 -0.741 1 1 859 . 6 1 1 A 68 68 SER N N 68 115.624 112.269 3.355 1 1 860 . 6 1 1 A 69 69 PRO HA H 69 4.588 4.497 0.091 1 1 867 . 6 1 1 A 69 69 PRO C C 69 177.083 177.423 -0.340 1 1 868 . 6 1 1 A 69 69 PRO CA C 69 63.870 64.142 -0.272 1 1 869 . 6 1 1 A 69 69 PRO CB C 69 30.612 31.713 -1.101 1 1 872 . 6 1 1 A 70 70 ALA H H 70 8.442 8.311 0.131 1 1 873 . 6 1 1 A 70 70 ALA HA H 70 3.679 4.329 -0.650 1 1 877 . 6 1 1 A 70 70 ALA C C 70 177.667 180.305 -2.638 1 1 878 . 6 1 1 A 70 70 ALA CA C 70 54.025 55.120 -1.095 1 1 879 . 6 1 1 A 70 70 ALA CB C 70 20.741 18.977 1.764 1 1 880 . 6 1 1 A 70 70 ALA N N 70 121.749 121.727 0.022 1 1 881 . 6 1 1 A 71 71 LEU H H 71 7.956 7.855 0.101 1 1 882 . 6 1 1 A 71 71 LEU HA H 71 3.883 3.863 0.020 1 1 892 . 6 1 1 A 71 71 LEU C C 71 179.241 179.361 -0.120 1 1 893 . 6 1 1 A 71 71 LEU CA C 71 58.602 58.227 0.375 1 1 894 . 6 1 1 A 71 71 LEU CB C 71 41.987 41.858 0.129 1 1 898 . 6 1 1 A 71 71 LEU N N 71 119.448 119.393 0.055 1 1 899 . 6 1 1 A 72 72 GLN H H 72 7.464 7.951 -0.487 1 1 900 . 6 1 1 A 72 72 GLN HA H 72 4.049 4.099 -0.050 1 1 907 . 6 1 1 A 72 72 GLN C C 72 178.432 178.553 -0.121 1 1 908 . 6 1 1 A 72 72 GLN CA C 72 58.626 58.915 -0.289 1 1 909 . 6 1 1 A 72 72 GLN CB C 72 27.557 28.138 -0.581 1 1 911 . 6 1 1 A 72 72 GLN N N 72 117.976 117.456 0.520 1 1 913 . 6 1 1 A 73 73 ALA H H 73 7.296 8.187 -0.891 1 1 914 . 6 1 1 A 73 73 ALA HA H 73 4.017 3.822 0.195 1 1 918 . 6 1 1 A 73 73 ALA C C 73 178.775 178.994 -0.219 1 1 919 . 6 1 1 A 73 73 ALA CA C 73 54.688 55.195 -0.507 1 1 920 . 6 1 1 A 73 73 ALA CB C 73 17.473 17.731 -0.258 1 1 921 . 6 1 1 A 73 73 ALA N N 73 123.083 122.778 0.305 1 1 922 . 6 1 1 A 74 74 ARG H H 74 8.328 7.905 0.423 1 1 923 . 6 1 1 A 74 74 ARG HA H 74 3.820 4.019 -0.199 1 1 931 . 6 1 1 A 74 74 ARG C C 74 177.297 178.965 -1.668 1 1 932 . 6 1 1 A 74 74 ARG CA C 74 59.805 59.298 0.507 1 1 933 . 6 1 1 A 74 74 ARG CB C 74 29.773 29.833 -0.060 1 1 936 . 6 1 1 A 74 74 ARG N N 74 117.535 118.357 -0.822 1 1 938 . 6 1 1 A 75 75 LYS H H 75 7.123 7.739 -0.616 1 1 939 . 6 1 1 A 75 75 LYS HA H 75 3.960 4.034 -0.074 1 1 948 . 6 1 1 A 75 75 LYS C C 75 178.071 179.261 -1.190 1 1 949 . 6 1 1 A 75 75 LYS CA C 75 59.488 59.360 0.128 1 1 950 . 6 1 1 A 75 75 LYS CB C 75 31.928 32.082 -0.154 1 1 954 . 6 1 1 A 75 75 LYS N N 75 119.136 118.547 0.589 1 1 955 . 6 1 1 A 76 76 MET H H 76 7.673 8.133 -0.460 1 1 956 . 6 1 1 A 76 76 MET HA H 76 4.205 4.086 0.119 1 1 964 . 6 1 1 A 76 76 MET C C 76 178.925 178.723 0.202 1 1 965 . 6 1 1 A 76 76 MET CA C 76 58.637 58.239 0.398 1 1 966 . 6 1 1 A 76 76 MET CB C 76 32.344 32.173 0.171 1 1 969 . 6 1 1 A 76 76 MET N N 76 116.794 118.259 -1.465 1 1 970 . 6 1 1 A 77 77 VAL H H 77 7.928 8.024 -0.096 1 1 971 . 6 1 1 A 77 77 VAL HA H 77 3.601 3.467 0.134 1 1 979 . 6 1 1 A 77 77 VAL C C 77 177.318 177.861 -0.543 1 1 980 . 6 1 1 A 77 77 VAL CA C 77 66.468 66.704 -0.236 1 1 981 . 6 1 1 A 77 77 VAL CB C 77 31.477 31.990 -0.513 1 1 984 . 6 1 1 A 77 77 VAL N N 77 117.999 120.661 -2.662 1 1 985 . 6 1 1 A 78 78 MET H H 78 8.446 8.358 0.088 1 1 986 . 6 1 1 A 78 78 MET HA H 78 4.136 3.940 0.196 1 1 994 . 6 1 1 A 78 78 MET C C 78 178.542 177.861 0.681 1 1 995 . 6 1 1 A 78 78 MET CA C 78 58.514 58.834 -0.320 1 1 996 . 6 1 1 A 78 78 MET CB C 78 31.036 32.215 -1.179 1 1 999 . 6 1 1 A 78 78 MET N N 78 119.079 117.391 1.688 1 1 1000 . 6 1 1 A 79 79 ASP H H 79 8.202 8.425 -0.223 1 1 1001 . 6 1 1 A 79 79 ASP HA H 79 4.419 4.155 0.264 1 1 1004 . 6 1 1 A 79 79 ASP C C 79 179.097 178.211 0.886 1 1 1005 . 6 1 1 A 79 79 ASP CA C 79 57.277 57.486 -0.209 1 1 1006 . 6 1 1 A 79 79 ASP CB C 79 39.813 41.537 -1.724 1 1 1007 . 6 1 1 A 79 79 ASP N N 79 119.422 119.989 -0.567 1 1 1008 . 6 1 1 A 80 80 ILE H H 80 7.625 7.962 -0.337 1 1 1009 . 6 1 1 A 80 80 ILE HA H 80 3.643 3.309 0.334 1 1 1019 . 6 1 1 A 80 80 ILE C C 80 178.024 178.167 -0.143 1 1 1020 . 6 1 1 A 80 80 ILE CA C 80 64.717 64.841 -0.124 1 1 1021 . 6 1 1 A 80 80 ILE CB C 80 37.661 36.764 0.897 1 1 1025 . 6 1 1 A 80 80 ILE N N 80 121.750 119.065 2.685 1 1 1026 . 6 1 1 A 81 81 LEU H H 81 8.071 7.946 0.125 1 1 1027 . 6 1 1 A 81 81 LEU HA H 81 3.908 3.782 0.126 1 1 1037 . 6 1 1 A 81 81 LEU C C 81 178.852 179.454 -0.602 1 1 1038 . 6 1 1 A 81 81 LEU CA C 81 57.329 58.004 -0.675 1 1 1039 . 6 1 1 A 81 81 LEU CB C 81 41.544 40.142 1.402 1 1 1043 . 6 1 1 A 81 81 LEU N N 81 119.850 119.600 0.250 1 1 1044 . 6 1 1 A 82 82 ASN H H 82 8.188 8.234 -0.046 1 1 1045 . 6 1 1 A 82 82 ASN HA H 82 4.417 4.250 0.167 1 1 1050 . 6 1 1 A 82 82 ASN C C 82 176.440 177.761 -1.321 1 1 1051 . 6 1 1 A 82 82 ASN CA C 82 55.011 56.279 -1.268 1 1 1052 . 6 1 1 A 82 82 ASN CB C 82 38.461 37.623 0.838 1 1 1053 . 6 1 1 A 82 82 ASN N N 82 116.186 118.537 -2.351 1 1 1055 . 6 1 1 A 83 83 PHE H H 83 7.779 7.876 -0.097 1 1 1056 . 6 1 1 A 83 83 PHE HA H 83 4.352 4.120 0.232 1 1 1064 . 6 1 1 A 83 83 PHE C C 83 176.767 177.089 -0.322 1 1 1065 . 6 1 1 A 83 83 PHE CA C 83 59.557 61.300 -1.743 1 1 1066 . 6 1 1 A 83 83 PHE CB C 83 38.944 38.834 0.110 1 1 1070 . 6 1 1 A 83 83 PHE N N 83 118.925 122.587 -3.662 1 1 1071 . 6 1 1 A 84 84 TYR H H 84 8.057 8.153 -0.096 1 1 1072 . 6 1 1 A 84 84 TYR HA H 84 4.388 4.227 0.161 1 1 1079 . 6 1 1 A 84 84 TYR C C 84 176.233 175.880 0.353 1 1 1080 . 6 1 1 A 84 84 TYR CA C 84 59.261 59.924 -0.663 1 1 1081 . 6 1 1 A 84 84 TYR CB C 84 38.503 38.728 -0.225 1 1 1084 . 6 1 1 A 84 84 TYR N N 84 118.223 117.289 0.934 1 1 1085 . 6 1 1 A 85 85 ASN H H 85 8.192 7.977 0.215 1 1 1086 . 6 1 1 A 85 85 ASN HA H 85 4.679 5.016 -0.337 1 1 1091 . 6 1 1 A 85 85 ASN C C 85 175.367 175.220 0.147 1 1 1092 . 6 1 1 A 85 85 ASN CA C 85 53.261 51.986 1.275 1 1 1093 . 6 1 1 A 85 85 ASN CB C 85 38.501 39.105 -0.604 1 1 1094 . 6 1 1 A 85 85 ASN N N 85 118.935 116.899 2.036 1 1 1096 . 6 1 1 A 86 86 LYS H H 86 8.151 8.294 -0.143 1 1 1097 . 6 1 1 A 86 86 LYS HA H 86 4.151 4.092 0.059 1 1 1106 . 6 1 1 A 86 86 LYS C C 86 176.981 178.094 -1.113 1 1 1107 . 6 1 1 A 86 86 LYS CA C 86 57.714 58.766 -1.052 1 1 1108 . 6 1 1 A 86 86 LYS CB C 86 32.368 32.244 0.124 1 1 1112 . 6 1 1 A 86 86 LYS N N 86 121.533 125.078 -3.545 1 1 1113 . 6 1 1 A 87 87 ASP H H 87 8.269 8.632 -0.363 1 1 1114 . 6 1 1 A 87 87 ASP HA H 87 4.553 4.364 0.189 1 1 1117 . 6 1 1 A 87 87 ASP C C 87 177.209 178.794 -1.585 1 1 1118 . 6 1 1 A 87 87 ASP CA C 87 55.538 57.035 -1.497 1 1 1119 . 6 1 1 A 87 87 ASP CB C 87 40.677 39.661 1.016 1 1 1120 . 6 1 1 A 87 87 ASP N N 87 119.408 117.446 1.962 1 1 1121 . 6 1 1 A 88 88 MET H H 88 7.941 8.008 -0.067 1 1 1122 . 6 1 1 A 88 88 MET HA H 88 4.257 4.304 -0.047 1 1 1130 . 6 1 1 A 88 88 MET C C 88 176.851 177.903 -1.052 1 1 1131 . 6 1 1 A 88 88 MET CA C 88 56.461 58.332 -1.871 1 1 1132 . 6 1 1 A 88 88 MET CB C 88 32.371 32.115 0.256 1 1 1135 . 6 1 1 A 88 88 MET N N 88 119.377 119.616 -0.239 1 1 1136 . 6 1 1 A 89 89 TYR H H 89 8.094 7.753 0.341 1 1 1137 . 6 1 1 A 89 89 TYR HA H 89 4.350 4.203 0.147 1 1 1144 . 6 1 1 A 89 89 TYR C C 89 176.252 178.216 -1.964 1 1 1145 . 6 1 1 A 89 89 TYR CA C 89 59.097 61.593 -2.496 1 1 1146 . 6 1 1 A 89 89 TYR CB C 89 38.051 38.472 -0.421 1 1 1149 . 6 1 1 A 89 89 TYR N N 89 119.418 121.193 -1.775 1 1 1150 . 6 1 1 A 90 90 ASN H H 90 8.244 9.083 -0.839 1 1 1151 . 6 1 1 A 90 90 ASN HA H 90 4.573 4.367 0.206 1 1 1156 . 6 1 1 A 90 90 ASN C C 90 175.907 175.637 0.270 1 1 1157 . 6 1 1 A 90 90 ASN CA C 90 53.867 54.124 -0.257 1 1 1158 . 6 1 1 A 90 90 ASN CB C 90 38.479 37.237 1.242 1 1 1159 . 6 1 1 A 90 90 ASN N N 90 118.918 116.120 2.798 1 1 1161 . 6 1 1 A 91 91 GLN H H 91 8.176 7.920 0.256 1 1 1162 . 6 1 1 A 91 91 GLN HA H 91 4.216 4.474 -0.258 1 1 1169 . 6 1 1 A 91 91 GLN C C 91 176.568 176.951 -0.383 1 1 1170 . 6 1 1 A 91 91 GLN CA C 91 56.600 55.743 0.857 1 1 1171 . 6 1 1 A 91 91 GLN CB C 91 28.859 29.736 -0.877 1 1 1173 . 6 1 1 A 91 91 GLN N N 91 119.648 118.193 1.455 1 1 1175 . 6 1 1 A 92 92 LEU H H 92 8.015 7.427 0.588 1 1 1176 . 6 1 1 A 92 92 LEU HA H 92 4.214 4.128 0.086 1 1 1186 . 6 1 1 A 92 92 LEU C C 92 177.661 176.190 1.471 1 1 1187 . 6 1 1 A 92 92 LEU CA C 92 55.550 57.727 -2.177 1 1 1188 . 6 1 1 A 92 92 LEU CB C 92 41.994 42.840 -0.846 1 1 1192 . 6 1 1 A 92 92 LEU N N 92 121.059 120.680 0.379 1 1 1193 . 6 1 1 A 93 93 GLU H H 93 8.132 7.611 0.521 1 1 1194 . 6 1 1 A 93 93 GLU HA H 93 4.099 4.620 -0.521 1 1 1199 . 6 1 1 A 93 93 GLU C C 93 176.461 175.216 1.245 1 1 1200 . 6 1 1 A 93 93 GLU CA C 93 56.838 54.855 1.983 1 1 1201 . 6 1 1 A 93 93 GLU CB C 93 29.803 32.767 -2.964 1 1 1203 . 6 1 1 A 93 93 GLU N N 93 119.896 113.372 6.524 1 1 1204 . 6 1 1 A 94 94 HIS H H 94 8.134 8.440 -0.306 1 1 1205 . 6 1 1 A 94 94 HIS C C 94 174.994 175.822 -0.828 1 1 1206 . 6 1 1 A 94 94 HIS CA C 94 56.075 54.743 1.332 1 1 1207 . 6 1 1 A 94 94 HIS CB C 94 29.997 28.844 1.153 1 1 1 . 7 1 1 A 2 2 ASP HA H 2 4.708 4.960 -0.252 1 1 4 . 7 1 1 A 2 2 ASP C C 2 176.847 175.795 1.052 1 1 5 . 7 1 1 A 2 2 ASP CA C 2 53.800 52.864 0.936 1 1 6 . 7 1 1 A 2 2 ASP CB C 2 40.922 38.600 2.322 1 1 7 . 7 1 1 A 3 3 GLN H H 3 9.117 8.459 0.658 1 1 8 . 7 1 1 A 3 3 GLN HA H 3 4.139 3.948 0.191 1 1 15 . 7 1 1 A 3 3 GLN C C 3 177.725 177.551 0.174 1 1 16 . 7 1 1 A 3 3 GLN CA C 3 58.612 58.437 0.175 1 1 17 . 7 1 1 A 3 3 GLN CB C 3 28.880 28.546 0.334 1 1 19 . 7 1 1 A 3 3 GLN N N 3 124.129 124.453 -0.324 1 1 21 . 7 1 1 A 4 4 LEU H H 4 8.285 7.948 0.337 1 1 22 . 7 1 1 A 4 4 LEU HA H 4 3.947 3.741 0.206 1 1 32 . 7 1 1 A 4 4 LEU C C 4 178.111 178.757 -0.646 1 1 33 . 7 1 1 A 4 4 LEU CA C 4 56.421 57.830 -1.409 1 1 34 . 7 1 1 A 4 4 LEU CB C 4 40.690 40.991 -0.301 1 1 38 . 7 1 1 A 4 4 LEU N N 4 117.977 119.813 -1.836 1 1 39 . 7 1 1 A 5 5 LYS H H 5 7.624 7.916 -0.292 1 1 40 . 7 1 1 A 5 5 LYS HA H 5 3.837 4.002 -0.165 1 1 49 . 7 1 1 A 5 5 LYS C C 5 178.775 178.713 0.062 1 1 50 . 7 1 1 A 5 5 LYS CA C 5 59.939 59.735 0.204 1 1 51 . 7 1 1 A 5 5 LYS CB C 5 32.344 32.532 -0.188 1 1 55 . 7 1 1 A 5 5 LYS N N 5 121.000 120.504 0.496 1 1 56 . 7 1 1 A 6 6 THR H H 6 7.852 8.013 -0.161 1 1 57 . 7 1 1 A 6 6 THR HA H 6 3.908 3.951 -0.043 1 1 62 . 7 1 1 A 6 6 THR C C 6 176.483 176.517 -0.034 1 1 63 . 7 1 1 A 6 6 THR CA C 6 66.062 66.865 -0.803 1 1 64 . 7 1 1 A 6 6 THR CB C 6 68.255 68.258 -0.003 1 1 66 . 7 1 1 A 6 6 THR N N 6 115.606 115.570 0.036 1 1 67 . 7 1 1 A 7 7 ILE H H 7 7.791 7.612 0.179 1 1 68 . 7 1 1 A 7 7 ILE HA H 7 3.422 3.525 -0.103 1 1 78 . 7 1 1 A 7 7 ILE C C 7 177.219 177.829 -0.610 1 1 79 . 7 1 1 A 7 7 ILE CA C 7 65.799 65.456 0.343 1 1 80 . 7 1 1 A 7 7 ILE CB C 7 37.619 37.610 0.009 1 1 84 . 7 1 1 A 7 7 ILE N N 7 122.292 121.625 0.667 1 1 85 . 7 1 1 A 8 8 LYS H H 8 8.233 8.238 -0.005 1 1 86 . 7 1 1 A 8 8 LYS HA H 8 3.721 3.816 -0.095 1 1 95 . 7 1 1 A 8 8 LYS C C 8 179.054 179.625 -0.571 1 1 96 . 7 1 1 A 8 8 LYS CA C 8 60.378 60.416 -0.038 1 1 97 . 7 1 1 A 8 8 LYS CB C 8 31.990 32.243 -0.253 1 1 101 . 7 1 1 A 8 8 LYS N N 8 119.853 118.839 1.014 1 1 102 . 7 1 1 A 9 9 GLU H H 9 7.677 7.900 -0.223 1 1 103 . 7 1 1 A 9 9 GLU HA H 9 4.138 4.012 0.126 1 1 108 . 7 1 1 A 9 9 GLU C C 9 178.839 179.527 -0.688 1 1 109 . 7 1 1 A 9 9 GLU CA C 9 59.045 58.968 0.077 1 1 110 . 7 1 1 A 9 9 GLU CB C 9 28.877 29.571 -0.694 1 1 112 . 7 1 1 A 9 9 GLU N N 9 118.933 120.245 -1.312 1 1 113 . 7 1 1 A 10 10 LEU H H 10 7.996 8.523 -0.527 1 1 114 . 7 1 1 A 10 10 LEU HA H 10 4.027 3.983 0.044 1 1 124 . 7 1 1 A 10 10 LEU C C 10 179.717 179.024 0.693 1 1 125 . 7 1 1 A 10 10 LEU CA C 10 58.212 58.084 0.128 1 1 126 . 7 1 1 A 10 10 LEU CB C 10 41.994 41.764 0.230 1 1 130 . 7 1 1 A 10 10 LEU N N 10 120.361 121.109 -0.748 1 1 131 . 7 1 1 A 11 11 ILE H H 11 8.059 8.090 -0.031 1 1 132 . 7 1 1 A 11 11 ILE HA H 11 3.233 3.428 -0.195 1 1 142 . 7 1 1 A 11 11 ILE C C 11 179.525 178.741 0.784 1 1 143 . 7 1 1 A 11 11 ILE CA C 11 65.782 64.882 0.900 1 1 144 . 7 1 1 A 11 11 ILE CB C 11 37.620 37.330 0.290 1 1 148 . 7 1 1 A 11 11 ILE N N 11 118.455 119.531 -1.076 1 1 149 . 7 1 1 A 12 12 ASN H H 12 8.219 8.448 -0.229 1 1 150 . 7 1 1 A 12 12 ASN HA H 12 4.355 4.496 -0.141 1 1 155 . 7 1 1 A 12 12 ASN C C 12 177.168 178.665 -1.497 1 1 156 . 7 1 1 A 12 12 ASN CA C 12 55.945 56.685 -0.740 1 1 157 . 7 1 1 A 12 12 ASN CB C 12 38.012 37.789 0.223 1 1 158 . 7 1 1 A 12 12 ASN N N 12 120.732 118.646 2.086 1 1 160 . 7 1 1 A 13 13 GLN H H 13 8.028 7.830 0.198 1 1 161 . 7 1 1 A 13 13 GLN HA H 13 4.295 4.121 0.174 1 1 168 . 7 1 1 A 13 13 GLN C C 13 176.418 175.858 0.560 1 1 169 . 7 1 1 A 13 13 GLN CA C 13 55.821 57.289 -1.468 1 1 170 . 7 1 1 A 13 13 GLN CB C 13 28.852 29.125 -0.273 1 1 172 . 7 1 1 A 13 13 GLN N N 13 116.080 115.855 0.225 1 1 174 . 7 1 1 A 14 14 GLY H H 14 7.853 7.982 -0.129 1 1 175 . 7 1 1 A 14 14 GLY HA2 H 14 4.337 3.994 0.343 1 1 176 . 7 1 1 A 14 14 GLY HA3 H 14 3.511 4.002 -0.491 1 1 177 . 7 1 1 A 14 14 GLY C C 14 174.233 174.568 -0.335 1 1 178 . 7 1 1 A 14 14 GLY CA C 14 45.063 45.091 -0.028 1 1 179 . 7 1 1 A 14 14 GLY N N 14 107.118 106.315 0.803 1 1 180 . 7 1 1 A 15 15 ASP H H 15 8.325 7.982 0.343 1 1 181 . 7 1 1 A 15 15 ASP HA H 15 4.973 4.862 0.111 1 1 184 . 7 1 1 A 15 15 ASP C C 15 176.427 176.197 0.230 1 1 185 . 7 1 1 A 15 15 ASP CA C 15 51.828 53.315 -1.487 1 1 186 . 7 1 1 A 15 15 ASP CB C 15 38.583 38.964 -0.381 1 1 187 . 7 1 1 A 15 15 ASP N N 15 125.524 120.984 4.540 1 1 188 . 7 1 1 A 16 16 ILE H H 16 7.615 8.049 -0.434 1 1 189 . 7 1 1 A 16 16 ILE HA H 16 3.353 3.595 -0.242 1 1 199 . 7 1 1 A 16 16 ILE C C 16 177.618 177.569 0.049 1 1 200 . 7 1 1 A 16 16 ILE CA C 16 62.996 64.971 -1.975 1 1 201 . 7 1 1 A 16 16 ILE CB C 16 35.856 37.512 -1.656 1 1 205 . 7 1 1 A 16 16 ILE N N 16 119.875 121.244 -1.369 1 1 206 . 7 1 1 A 17 17 GLU H H 17 8.844 8.414 0.430 1 1 207 . 7 1 1 A 17 17 GLU HA H 17 3.887 4.006 -0.119 1 1 212 . 7 1 1 A 17 17 GLU C C 17 179.739 178.538 1.201 1 1 213 . 7 1 1 A 17 17 GLU CA C 17 60.364 59.083 1.281 1 1 214 . 7 1 1 A 17 17 GLU CB C 17 28.670 29.319 -0.649 1 1 216 . 7 1 1 A 17 17 GLU N N 17 120.080 119.937 0.143 1 1 217 . 7 1 1 A 18 18 ASN H H 18 7.768 7.547 0.221 1 1 218 . 7 1 1 A 18 18 ASN HA H 18 4.535 4.487 0.048 1 1 223 . 7 1 1 A 18 18 ASN C C 18 178.197 177.845 0.352 1 1 224 . 7 1 1 A 18 18 ASN CA C 18 55.682 56.437 -0.755 1 1 225 . 7 1 1 A 18 18 ASN CB C 18 37.615 38.348 -0.733 1 1 226 . 7 1 1 A 18 18 ASN N N 18 116.056 118.922 -2.866 1 1 228 . 7 1 1 A 19 19 ALA H H 19 7.989 7.988 0.001 1 1 229 . 7 1 1 A 19 19 ALA HA H 19 3.870 4.021 -0.151 1 1 233 . 7 1 1 A 19 19 ALA C C 19 178.732 179.825 -1.093 1 1 234 . 7 1 1 A 19 19 ALA CA C 19 55.543 55.086 0.457 1 1 235 . 7 1 1 A 19 19 ALA CB C 19 18.362 18.391 -0.029 1 1 236 . 7 1 1 A 19 19 ALA N N 19 123.900 123.189 0.711 1 1 237 . 7 1 1 A 20 20 LEU H H 20 8.589 8.807 -0.218 1 1 238 . 7 1 1 A 20 20 LEU HA H 20 3.856 3.759 0.097 1 1 248 . 7 1 1 A 20 20 LEU C C 20 179.139 178.951 0.188 1 1 249 . 7 1 1 A 20 20 LEU CA C 20 58.169 58.055 0.114 1 1 250 . 7 1 1 A 20 20 LEU CB C 20 41.569 41.523 0.046 1 1 254 . 7 1 1 A 20 20 LEU N N 20 117.052 118.068 -1.016 1 1 255 . 7 1 1 A 21 21 GLN H H 21 7.439 8.158 -0.719 1 1 256 . 7 1 1 A 21 21 GLN HA H 21 4.029 3.999 0.030 1 1 263 . 7 1 1 A 21 21 GLN C C 21 178.411 177.815 0.596 1 1 264 . 7 1 1 A 21 21 GLN CA C 21 58.730 58.515 0.215 1 1 265 . 7 1 1 A 21 21 GLN CB C 21 28.002 28.152 -0.150 1 1 267 . 7 1 1 A 21 21 GLN N N 21 118.218 117.149 1.069 1 1 269 . 7 1 1 A 22 22 ALA H H 22 7.848 7.650 0.198 1 1 270 . 7 1 1 A 22 22 ALA HA H 22 4.191 4.114 0.077 1 1 274 . 7 1 1 A 22 22 ALA C C 22 181.475 180.195 1.280 1 1 275 . 7 1 1 A 22 22 ALA CA C 22 54.631 54.727 -0.096 1 1 276 . 7 1 1 A 22 22 ALA CB C 22 17.907 18.294 -0.387 1 1 277 . 7 1 1 A 22 22 ALA N N 22 121.474 122.092 -0.618 1 1 278 . 7 1 1 A 23 23 LEU H H 23 8.751 8.436 0.315 1 1 279 . 7 1 1 A 23 23 LEU HA H 23 3.906 4.008 -0.102 1 1 289 . 7 1 1 A 23 23 LEU C C 23 177.996 179.126 -1.130 1 1 290 . 7 1 1 A 23 23 LEU CA C 23 58.155 57.934 0.221 1 1 291 . 7 1 1 A 23 23 LEU CB C 23 42.020 41.377 0.643 1 1 295 . 7 1 1 A 23 23 LEU N N 23 122.246 120.492 1.754 1 1 296 . 7 1 1 A 24 24 GLU H H 24 8.247 8.428 -0.181 1 1 297 . 7 1 1 A 24 24 GLU HA H 24 3.971 3.963 0.008 1 1 302 . 7 1 1 A 24 24 GLU C C 24 179.751 179.406 0.345 1 1 303 . 7 1 1 A 24 24 GLU CA C 24 59.506 59.618 -0.112 1 1 304 . 7 1 1 A 24 24 GLU CB C 24 28.849 29.134 -0.285 1 1 306 . 7 1 1 A 24 24 GLU N N 24 119.875 117.625 2.250 1 1 307 . 7 1 1 A 25 25 GLU H H 25 7.736 7.830 -0.094 1 1 308 . 7 1 1 A 25 25 GLU HA H 25 4.013 4.060 -0.047 1 1 313 . 7 1 1 A 25 25 GLU C C 25 179.204 179.146 0.058 1 1 314 . 7 1 1 A 25 25 GLU CA C 25 59.058 59.536 -0.478 1 1 315 . 7 1 1 A 25 25 GLU CB C 25 29.238 29.418 -0.180 1 1 317 . 7 1 1 A 25 25 GLU N N 25 118.451 119.560 -1.109 1 1 318 . 7 1 1 A 26 26 PHE H H 26 8.389 8.513 -0.124 1 1 319 . 7 1 1 A 26 26 PHE HA H 26 4.218 4.076 0.142 1 1 327 . 7 1 1 A 26 26 PHE C C 26 178.732 177.338 1.394 1 1 328 . 7 1 1 A 26 26 PHE CA C 26 61.020 60.920 0.100 1 1 329 . 7 1 1 A 26 26 PHE CB C 26 39.383 39.310 0.073 1 1 333 . 7 1 1 A 26 26 PHE N N 26 122.243 120.675 1.568 1 1 334 . 7 1 1 A 27 27 LEU H H 27 8.643 8.448 0.195 1 1 335 . 7 1 1 A 27 27 LEU HA H 27 3.666 3.959 -0.293 1 1 345 . 7 1 1 A 27 27 LEU C C 27 179.172 178.112 1.060 1 1 346 . 7 1 1 A 27 27 LEU CA C 27 57.728 57.657 0.071 1 1 347 . 7 1 1 A 27 27 LEU CB C 27 42.008 41.437 0.571 1 1 351 . 7 1 1 A 27 27 LEU N N 27 119.374 119.273 0.101 1 1 352 . 7 1 1 A 28 28 GLN H H 28 7.536 7.761 -0.225 1 1 353 . 7 1 1 A 28 28 GLN HA H 28 4.215 4.249 -0.034 1 1 360 . 7 1 1 A 28 28 GLN C C 28 177.261 177.461 -0.200 1 1 361 . 7 1 1 A 28 28 GLN CA C 28 57.287 57.099 0.188 1 1 362 . 7 1 1 A 28 28 GLN CB C 28 28.832 29.022 -0.190 1 1 364 . 7 1 1 A 28 28 GLN N N 28 116.095 117.350 -1.255 1 1 366 . 7 1 1 A 29 29 THR H H 29 7.480 7.673 -0.193 1 1 367 . 7 1 1 A 29 29 THR HA H 29 4.332 4.189 0.143 1 1 372 . 7 1 1 A 29 29 THR C C 29 174.092 174.705 -0.613 1 1 373 . 7 1 1 A 29 29 THR CA C 29 62.533 63.227 -0.694 1 1 374 . 7 1 1 A 29 29 THR CB C 29 70.435 68.954 1.481 1 1 376 . 7 1 1 A 29 29 THR N N 29 108.609 110.097 -1.488 1 1 377 . 7 1 1 A 30 30 GLU H H 30 7.935 7.302 0.633 1 1 378 . 7 1 1 A 30 30 GLU HA H 30 4.221 4.660 -0.439 1 1 383 . 7 1 1 A 30 30 GLU CA C 30 54.719 53.491 1.228 1 1 384 . 7 1 1 A 30 30 GLU CB C 30 28.002 30.318 -2.316 1 1 386 . 7 1 1 A 30 30 GLU N N 30 119.400 120.417 -1.017 1 1 387 . 7 1 1 A 31 31 PRO HA H 31 4.430 4.346 0.084 1 1 394 . 7 1 1 A 31 31 PRO C C 31 177.447 177.763 -0.316 1 1 395 . 7 1 1 A 31 31 PRO CA C 31 62.992 65.078 -2.086 1 1 396 . 7 1 1 A 31 31 PRO CB C 31 32.354 31.938 0.416 1 1 399 . 7 1 1 A 32 32 VAL H H 32 7.989 7.771 0.218 1 1 400 . 7 1 1 A 32 32 VAL HA H 32 4.211 3.951 0.260 1 1 408 . 7 1 1 A 32 32 VAL C C 32 176.778 177.338 -0.560 1 1 409 . 7 1 1 A 32 32 VAL CA C 32 62.755 64.509 -1.754 1 1 410 . 7 1 1 A 32 32 VAL CB C 32 32.697 31.512 1.185 1 1 412 . 7 1 1 A 32 32 VAL N N 32 118.439 116.007 2.432 1 1 413 . 7 1 1 A 33 33 GLY H H 33 8.764 7.786 0.978 1 1 414 . 7 1 1 A 33 33 GLY HA2 H 33 4.195 4.134 0.061 1 1 415 . 7 1 1 A 33 33 GLY HA3 H 33 4.195 4.216 -0.021 1 1 416 . 7 1 1 A 33 33 GLY C C 33 176.287 175.361 0.926 1 1 417 . 7 1 1 A 33 33 GLY CA C 33 45.917 45.558 0.359 1 1 418 . 7 1 1 A 33 33 GLY N N 33 111.588 108.904 2.684 1 1 419 . 7 1 1 A 34 34 LYS H H 34 8.296 8.003 0.293 1 1 420 . 7 1 1 A 34 34 LYS HA H 34 3.839 4.300 -0.461 1 1 429 . 7 1 1 A 34 34 LYS C C 34 177.040 179.281 -2.241 1 1 430 . 7 1 1 A 34 34 LYS CA C 34 59.883 59.538 0.345 1 1 431 . 7 1 1 A 34 34 LYS CB C 34 32.883 32.532 0.351 1 1 435 . 7 1 1 A 34 34 LYS N N 34 119.887 120.743 -0.856 1 1 436 . 7 1 1 A 35 35 ASP H H 35 9.065 8.667 0.398 1 1 437 . 7 1 1 A 35 35 ASP HA H 35 4.362 4.518 -0.156 1 1 440 . 7 1 1 A 35 35 ASP C C 35 177.018 178.799 -1.781 1 1 441 . 7 1 1 A 35 35 ASP CA C 35 57.636 57.285 0.351 1 1 442 . 7 1 1 A 35 35 ASP CB C 35 41.086 40.083 1.003 1 1 443 . 7 1 1 A 35 35 ASP N N 35 115.065 118.405 -3.340 1 1 444 . 7 1 1 A 36 36 GLU H H 36 7.474 8.371 -0.897 1 1 445 . 7 1 1 A 36 36 GLU HA H 36 4.275 4.101 0.174 1 1 450 . 7 1 1 A 36 36 GLU C C 36 178.261 178.421 -0.160 1 1 451 . 7 1 1 A 36 36 GLU CA C 36 59.046 59.521 -0.475 1 1 452 . 7 1 1 A 36 36 GLU CB C 36 29.283 29.453 -0.170 1 1 454 . 7 1 1 A 36 36 GLU N N 36 121.291 120.200 1.091 1 1 455 . 7 1 1 A 37 37 ALA H H 37 7.674 7.629 0.045 1 1 456 . 7 1 1 A 37 37 ALA HA H 37 3.887 4.086 -0.199 1 1 460 . 7 1 1 A 37 37 ALA C C 37 179.161 179.810 -0.649 1 1 461 . 7 1 1 A 37 37 ALA CA C 37 55.091 55.136 -0.045 1 1 462 . 7 1 1 A 37 37 ALA CB C 37 17.925 18.587 -0.662 1 1 463 . 7 1 1 A 37 37 ALA N N 37 120.365 122.442 -2.077 1 1 464 . 7 1 1 A 38 38 TYR H H 38 8.175 8.860 -0.685 1 1 465 . 7 1 1 A 38 38 TYR HA H 38 4.422 4.378 0.044 1 1 472 . 7 1 1 A 38 38 TYR C C 38 178.497 178.537 -0.040 1 1 473 . 7 1 1 A 38 38 TYR CA C 38 62.662 60.851 1.811 1 1 474 . 7 1 1 A 38 38 TYR CB C 38 37.996 37.956 0.040 1 1 477 . 7 1 1 A 38 38 TYR N N 38 117.027 116.299 0.728 1 1 478 . 7 1 1 A 39 39 TYR H H 39 8.321 8.138 0.183 1 1 479 . 7 1 1 A 39 39 TYR HA H 39 4.413 4.324 0.089 1 1 486 . 7 1 1 A 39 39 TYR C C 39 176.311 177.217 -0.906 1 1 487 . 7 1 1 A 39 39 TYR CA C 39 60.856 61.837 -0.981 1 1 488 . 7 1 1 A 39 39 TYR CB C 39 38.015 39.083 -1.068 1 1 491 . 7 1 1 A 39 39 TYR N N 39 120.527 120.925 -0.398 1 1 492 . 7 1 1 A 40 40 LEU H H 40 8.508 8.593 -0.085 1 1 493 . 7 1 1 A 40 40 LEU HA H 40 3.585 3.836 -0.251 1 1 503 . 7 1 1 A 40 40 LEU C C 40 178.857 179.339 -0.482 1 1 504 . 7 1 1 A 40 40 LEU CA C 40 57.723 57.807 -0.084 1 1 505 . 7 1 1 A 40 40 LEU CB C 40 41.543 41.273 0.270 1 1 509 . 7 1 1 A 40 40 LEU N N 40 118.925 120.386 -1.461 1 1 510 . 7 1 1 A 41 41 MET H H 41 8.661 8.585 0.076 1 1 511 . 7 1 1 A 41 41 MET HA H 41 3.611 3.972 -0.361 1 1 519 . 7 1 1 A 41 41 MET C C 41 178.325 179.003 -0.678 1 1 520 . 7 1 1 A 41 41 MET CA C 41 59.498 59.132 0.366 1 1 521 . 7 1 1 A 41 41 MET CB C 41 32.806 32.649 0.157 1 1 524 . 7 1 1 A 41 41 MET N N 41 119.892 117.776 2.116 1 1 525 . 7 1 1 A 42 42 GLY H H 42 8.531 8.543 -0.012 1 1 526 . 7 1 1 A 42 42 GLY HA2 H 42 3.564 3.292 0.272 1 1 527 . 7 1 1 A 42 42 GLY HA3 H 42 3.164 3.777 -0.613 1 1 528 . 7 1 1 A 42 42 GLY C C 42 174.726 175.619 -0.893 1 1 529 . 7 1 1 A 42 42 GLY CA C 42 48.104 47.194 0.910 1 1 530 . 7 1 1 A 42 42 GLY N N 42 107.064 108.629 -1.565 1 1 531 . 7 1 1 A 43 43 ASN H H 43 8.260 8.414 -0.154 1 1 532 . 7 1 1 A 43 43 ASN HA H 43 4.334 4.482 -0.148 1 1 537 . 7 1 1 A 43 43 ASN C C 43 178.111 177.347 0.764 1 1 538 . 7 1 1 A 43 43 ASN CA C 43 54.966 56.495 -1.529 1 1 539 . 7 1 1 A 43 43 ASN CB C 43 36.326 39.115 -2.789 1 1 540 . 7 1 1 A 43 43 ASN N N 43 120.815 119.628 1.187 1 1 542 . 7 1 1 A 44 44 ALA H H 44 8.487 7.943 0.544 1 1 543 . 7 1 1 A 44 44 ALA HA H 44 3.788 3.976 -0.188 1 1 547 . 7 1 1 A 44 44 ALA C C 44 178.389 179.259 -0.870 1 1 548 . 7 1 1 A 44 44 ALA CA C 44 55.152 55.040 0.112 1 1 549 . 7 1 1 A 44 44 ALA CB C 44 16.897 18.208 -1.311 1 1 550 . 7 1 1 A 44 44 ALA N N 44 125.304 123.171 2.133 1 1 551 . 7 1 1 A 45 45 TYR H H 45 8.160 8.046 0.114 1 1 552 . 7 1 1 A 45 45 TYR HA H 45 4.168 4.227 -0.059 1 1 559 . 7 1 1 A 45 45 TYR C C 45 178.775 178.968 -0.193 1 1 560 . 7 1 1 A 45 45 TYR CA C 45 62.995 61.970 1.025 1 1 561 . 7 1 1 A 45 45 TYR CB C 45 36.944 37.694 -0.750 1 1 564 . 7 1 1 A 45 45 TYR N N 45 115.156 116.176 -1.020 1 1 565 . 7 1 1 A 46 46 ARG H H 46 8.901 8.208 0.693 1 1 566 . 7 1 1 A 46 46 ARG HA H 46 3.677 3.705 -0.028 1 1 573 . 7 1 1 A 46 46 ARG C C 46 179.396 178.436 0.960 1 1 574 . 7 1 1 A 46 46 ARG CA C 46 59.924 58.662 1.262 1 1 575 . 7 1 1 A 46 46 ARG CB C 46 30.131 30.026 0.105 1 1 578 . 7 1 1 A 46 46 ARG N N 46 121.781 118.680 3.101 1 1 579 . 7 1 1 A 47 47 LYS H H 47 7.813 7.448 0.365 1 1 580 . 7 1 1 A 47 47 LYS HA H 47 4.058 4.106 -0.048 1 1 589 . 7 1 1 A 47 47 LYS C C 47 178.111 179.181 -1.070 1 1 590 . 7 1 1 A 47 47 LYS CA C 47 58.950 58.819 0.131 1 1 591 . 7 1 1 A 47 47 LYS CB C 47 31.906 31.575 0.331 1 1 595 . 7 1 1 A 47 47 LYS N N 47 120.818 119.615 1.203 1 1 596 . 7 1 1 A 48 48 LEU H H 48 7.312 7.243 0.069 1 1 597 . 7 1 1 A 48 48 LEU HA H 48 4.228 4.021 0.207 1 1 607 . 7 1 1 A 48 48 LEU C C 48 177.254 176.710 0.544 1 1 608 . 7 1 1 A 48 48 LEU CA C 48 54.908 56.104 -1.196 1 1 609 . 7 1 1 A 48 48 LEU CB C 48 42.475 42.918 -0.443 1 1 613 . 7 1 1 A 48 48 LEU N N 48 116.553 117.484 -0.931 1 1 614 . 7 1 1 A 49 49 GLY H H 49 7.564 7.620 -0.056 1 1 615 . 7 1 1 A 49 49 GLY HA2 H 49 3.607 3.569 0.038 1 1 616 . 7 1 1 A 49 49 GLY HA3 H 49 2.316 3.839 -1.523 1 1 617 . 7 1 1 A 49 49 GLY C C 49 172.900 173.592 -0.692 1 1 618 . 7 1 1 A 49 49 GLY CA C 49 44.184 44.585 -0.401 1 1 619 . 7 1 1 A 49 49 GLY N N 49 107.326 105.406 1.920 1 1 620 . 7 1 1 A 50 50 ASP H H 50 7.670 7.520 0.150 1 1 621 . 7 1 1 A 50 50 ASP HA H 50 4.564 4.521 0.043 1 1 624 . 7 1 1 A 50 50 ASP C C 50 175.681 176.188 -0.507 1 1 625 . 7 1 1 A 50 50 ASP CA C 50 51.083 53.332 -2.249 1 1 626 . 7 1 1 A 50 50 ASP CB C 50 39.169 41.148 -1.979 1 1 627 . 7 1 1 A 50 50 ASP N N 50 120.356 120.241 0.115 1 1 628 . 7 1 1 A 51 51 TRP H H 51 6.939 8.279 -1.340 1 1 629 . 7 1 1 A 51 51 TRP HA H 51 4.314 4.489 -0.175 1 1 638 . 7 1 1 A 51 51 TRP C C 51 178.047 178.692 -0.645 1 1 639 . 7 1 1 A 51 51 TRP CA C 51 58.473 59.632 -1.159 1 1 640 . 7 1 1 A 51 51 TRP CB C 51 30.099 29.708 0.391 1 1 646 . 7 1 1 A 51 51 TRP N N 51 121.784 125.919 -4.135 1 1 648 . 7 1 1 A 52 52 GLN H H 52 8.677 8.421 0.256 1 1 649 . 7 1 1 A 52 52 GLN HA H 52 3.960 3.991 -0.031 1 1 656 . 7 1 1 A 52 52 GLN C C 52 178.454 178.840 -0.386 1 1 657 . 7 1 1 A 52 52 GLN CA C 52 58.925 58.783 0.142 1 1 658 . 7 1 1 A 52 52 GLN CB C 52 28.183 28.191 -0.008 1 1 660 . 7 1 1 A 52 52 GLN N N 52 117.018 121.028 -4.010 1 1 662 . 7 1 1 A 53 53 LYS H H 53 7.392 8.528 -1.136 1 1 663 . 7 1 1 A 53 53 LYS HA H 53 3.774 3.784 -0.010 1 1 672 . 7 1 1 A 53 53 LYS C C 53 180.361 178.896 1.465 1 1 673 . 7 1 1 A 53 53 LYS CA C 53 59.764 58.950 0.814 1 1 674 . 7 1 1 A 53 53 LYS CB C 53 30.802 31.508 -0.706 1 1 678 . 7 1 1 A 53 53 LYS N N 53 117.913 118.271 -0.358 1 1 679 . 7 1 1 A 54 54 ALA H H 54 8.223 7.997 0.226 1 1 680 . 7 1 1 A 54 54 ALA HA H 54 4.012 3.882 0.130 1 1 684 . 7 1 1 A 54 54 ALA C C 54 177.635 180.022 -2.387 1 1 685 . 7 1 1 A 54 54 ALA CA C 54 55.792 55.032 0.760 1 1 686 . 7 1 1 A 54 54 ALA CB C 54 17.045 18.390 -1.345 1 1 687 . 7 1 1 A 54 54 ALA N N 54 123.665 122.213 1.452 1 1 688 . 7 1 1 A 55 55 LEU H H 55 8.425 8.266 0.159 1 1 689 . 7 1 1 A 55 55 LEU HA H 55 4.010 4.062 -0.052 1 1 699 . 7 1 1 A 55 55 LEU C C 55 179.568 179.110 0.458 1 1 700 . 7 1 1 A 55 55 LEU CA C 55 58.611 58.726 -0.115 1 1 701 . 7 1 1 A 55 55 LEU CB C 55 41.500 41.651 -0.151 1 1 705 . 7 1 1 A 55 55 LEU N N 55 116.583 118.240 -1.657 1 1 706 . 7 1 1 A 56 56 ASN H H 56 8.284 8.320 -0.036 1 1 707 . 7 1 1 A 56 56 ASN HA H 56 4.360 4.396 -0.036 1 1 712 . 7 1 1 A 56 56 ASN C C 56 177.790 178.390 -0.600 1 1 713 . 7 1 1 A 56 56 ASN CA C 56 55.852 56.568 -0.716 1 1 714 . 7 1 1 A 56 56 ASN CB C 56 37.882 37.733 0.149 1 1 715 . 7 1 1 A 56 56 ASN N N 56 117.763 117.920 -0.157 1 1 717 . 7 1 1 A 57 57 ASN H H 57 7.600 8.090 -0.490 1 1 718 . 7 1 1 A 57 57 ASN HA H 57 4.425 4.586 -0.161 1 1 723 . 7 1 1 A 57 57 ASN C C 57 177.404 178.276 -0.872 1 1 724 . 7 1 1 A 57 57 ASN CA C 57 58.105 56.453 1.652 1 1 725 . 7 1 1 A 57 57 ASN CB C 57 38.931 38.188 0.743 1 1 726 . 7 1 1 A 57 57 ASN N N 57 118.927 116.955 1.972 1 1 728 . 7 1 1 A 58 58 TYR H H 58 8.838 8.301 0.537 1 1 729 . 7 1 1 A 58 58 TYR HA H 58 4.667 4.415 0.252 1 1 736 . 7 1 1 A 58 58 TYR C C 58 178.047 178.497 -0.450 1 1 737 . 7 1 1 A 58 58 TYR CA C 58 58.430 62.031 -3.601 1 1 738 . 7 1 1 A 58 58 TYR CB C 58 36.743 38.098 -1.355 1 1 741 . 7 1 1 A 58 58 TYR N N 58 118.473 119.157 -0.684 1 1 742 . 7 1 1 A 59 59 GLN H H 59 8.572 8.470 0.102 1 1 743 . 7 1 1 A 59 59 GLN HA H 59 4.022 3.958 0.064 1 1 750 . 7 1 1 A 59 59 GLN C C 59 178.040 178.253 -0.213 1 1 751 . 7 1 1 A 59 59 GLN CA C 59 59.054 58.861 0.193 1 1 752 . 7 1 1 A 59 59 GLN CB C 59 27.126 28.767 -1.641 1 1 754 . 7 1 1 A 59 59 GLN N N 59 118.483 120.111 -1.628 1 1 756 . 7 1 1 A 60 60 SER H H 60 7.696 7.909 -0.213 1 1 757 . 7 1 1 A 60 60 SER HA H 60 3.931 4.173 -0.242 1 1 760 . 7 1 1 A 60 60 SER C C 60 175.926 176.069 -0.143 1 1 761 . 7 1 1 A 60 60 SER CA C 60 62.121 61.574 0.547 1 1 762 . 7 1 1 A 60 60 SER CB C 60 61.244 62.271 -1.027 1 1 763 . 7 1 1 A 60 60 SER N N 60 116.103 116.402 -0.299 1 1 764 . 7 1 1 A 61 61 ALA H H 61 7.739 7.889 -0.150 1 1 765 . 7 1 1 A 61 61 ALA HA H 61 4.075 4.230 -0.155 1 1 769 . 7 1 1 A 61 61 ALA C C 61 178.686 179.894 -1.208 1 1 770 . 7 1 1 A 61 61 ALA CA C 61 56.019 55.188 0.831 1 1 771 . 7 1 1 A 61 61 ALA CB C 61 18.790 18.535 0.255 1 1 772 . 7 1 1 A 61 61 ALA N N 61 122.319 123.116 -0.797 1 1 773 . 7 1 1 A 62 62 ILE H H 62 7.991 7.837 0.154 1 1 774 . 7 1 1 A 62 62 ILE HA H 62 3.857 3.840 0.017 1 1 784 . 7 1 1 A 62 62 ILE C C 62 178.131 178.102 0.029 1 1 785 . 7 1 1 A 62 62 ILE CA C 62 63.418 65.074 -1.656 1 1 786 . 7 1 1 A 62 62 ILE CB C 62 39.119 37.419 1.700 1 1 790 . 7 1 1 A 62 62 ILE N N 62 117.981 119.072 -1.091 1 1 791 . 7 1 1 A 63 63 GLU H H 63 7.988 8.247 -0.259 1 1 792 . 7 1 1 A 63 63 GLU HA H 63 3.902 4.072 -0.170 1 1 797 . 7 1 1 A 63 63 GLU C C 63 178.564 179.405 -0.841 1 1 798 . 7 1 1 A 63 63 GLU CA C 63 58.594 59.301 -0.707 1 1 799 . 7 1 1 A 63 63 GLU CB C 63 29.278 29.187 0.091 1 1 801 . 7 1 1 A 63 63 GLU N N 63 118.190 121.030 -2.840 1 1 802 . 7 1 1 A 64 64 LEU H H 64 7.024 7.113 -0.089 1 1 803 . 7 1 1 A 64 64 LEU HA H 64 4.347 4.248 0.099 1 1 813 . 7 1 1 A 64 64 LEU C C 64 177.496 177.144 0.352 1 1 814 . 7 1 1 A 64 64 LEU CA C 64 55.810 56.482 -0.672 1 1 815 . 7 1 1 A 64 64 LEU CB C 64 43.746 43.533 0.213 1 1 819 . 7 1 1 A 64 64 LEU N N 64 116.109 119.272 -3.163 1 1 820 . 7 1 1 A 65 65 ASN H H 65 8.270 8.279 -0.009 1 1 821 . 7 1 1 A 65 65 ASN HA H 65 5.068 5.113 -0.045 1 1 826 . 7 1 1 A 65 65 ASN C C 65 172.512 174.334 -1.822 1 1 827 . 7 1 1 A 65 65 ASN CA C 65 49.457 49.951 -0.494 1 1 828 . 7 1 1 A 65 65 ASN CB C 65 38.936 40.008 -1.072 1 1 829 . 7 1 1 A 65 65 ASN N N 65 116.544 115.441 1.103 1 1 831 . 7 1 1 A 66 66 PRO HA H 66 4.467 4.499 -0.032 1 1 838 . 7 1 1 A 66 66 PRO C C 66 176.054 175.887 0.167 1 1 839 . 7 1 1 A 66 66 PRO CA C 66 63.894 63.932 -0.038 1 1 840 . 7 1 1 A 66 66 PRO CB C 66 31.935 32.310 -0.375 1 1 843 . 7 1 1 A 67 67 ASP H H 67 7.326 8.117 -0.791 1 1 844 . 7 1 1 A 67 67 ASP HA H 67 4.863 4.917 -0.054 1 1 847 . 7 1 1 A 67 67 ASP C C 67 175.647 175.342 0.305 1 1 848 . 7 1 1 A 67 67 ASP CA C 67 53.273 53.155 0.118 1 1 849 . 7 1 1 A 67 67 ASP CB C 67 41.453 41.166 0.287 1 1 850 . 7 1 1 A 67 67 ASP N N 67 114.579 119.429 -4.850 1 1 851 . 7 1 1 A 68 68 SER H H 68 7.670 7.165 0.505 1 1 852 . 7 1 1 A 68 68 SER HA H 68 4.315 4.677 -0.362 1 1 856 . 7 1 1 A 68 68 SER C C 68 175.108 174.476 0.632 1 1 857 . 7 1 1 A 68 68 SER CA C 68 56.422 56.504 -0.082 1 1 858 . 7 1 1 A 68 68 SER CB C 68 63.880 63.448 0.432 1 1 859 . 7 1 1 A 68 68 SER N N 68 115.624 114.405 1.219 1 1 860 . 7 1 1 A 69 69 PRO HA H 69 4.588 4.426 0.162 1 1 867 . 7 1 1 A 69 69 PRO C C 69 177.083 177.351 -0.268 1 1 868 . 7 1 1 A 69 69 PRO CA C 69 63.870 64.017 -0.147 1 1 869 . 7 1 1 A 69 69 PRO CB C 69 30.612 31.586 -0.974 1 1 872 . 7 1 1 A 70 70 ALA H H 70 8.442 8.114 0.328 1 1 873 . 7 1 1 A 70 70 ALA HA H 70 3.679 3.985 -0.306 1 1 877 . 7 1 1 A 70 70 ALA C C 70 177.667 180.087 -2.420 1 1 878 . 7 1 1 A 70 70 ALA CA C 70 54.025 54.479 -0.454 1 1 879 . 7 1 1 A 70 70 ALA CB C 70 20.741 18.618 2.123 1 1 880 . 7 1 1 A 70 70 ALA N N 70 121.749 121.265 0.484 1 1 881 . 7 1 1 A 71 71 LEU H H 71 7.956 7.657 0.299 1 1 882 . 7 1 1 A 71 71 LEU HA H 71 3.883 3.844 0.039 1 1 892 . 7 1 1 A 71 71 LEU C C 71 179.241 179.055 0.186 1 1 893 . 7 1 1 A 71 71 LEU CA C 71 58.602 58.188 0.414 1 1 894 . 7 1 1 A 71 71 LEU CB C 71 41.987 41.691 0.296 1 1 898 . 7 1 1 A 71 71 LEU N N 71 119.448 119.218 0.230 1 1 899 . 7 1 1 A 72 72 GLN H H 72 7.464 7.818 -0.354 1 1 900 . 7 1 1 A 72 72 GLN HA H 72 4.049 4.117 -0.068 1 1 907 . 7 1 1 A 72 72 GLN C C 72 178.432 178.553 -0.121 1 1 908 . 7 1 1 A 72 72 GLN CA C 72 58.626 58.888 -0.262 1 1 909 . 7 1 1 A 72 72 GLN CB C 72 27.557 27.706 -0.149 1 1 911 . 7 1 1 A 72 72 GLN N N 72 117.976 117.394 0.582 1 1 913 . 7 1 1 A 73 73 ALA H H 73 7.296 7.932 -0.636 1 1 914 . 7 1 1 A 73 73 ALA HA H 73 4.017 3.990 0.027 1 1 918 . 7 1 1 A 73 73 ALA C C 73 178.775 179.223 -0.448 1 1 919 . 7 1 1 A 73 73 ALA CA C 73 54.688 55.032 -0.344 1 1 920 . 7 1 1 A 73 73 ALA CB C 73 17.473 17.910 -0.437 1 1 921 . 7 1 1 A 73 73 ALA N N 73 123.083 122.777 0.306 1 1 922 . 7 1 1 A 74 74 ARG H H 74 8.328 7.875 0.453 1 1 923 . 7 1 1 A 74 74 ARG HA H 74 3.820 4.264 -0.444 1 1 931 . 7 1 1 A 74 74 ARG C C 74 177.297 178.975 -1.678 1 1 932 . 7 1 1 A 74 74 ARG CA C 74 59.805 59.517 0.288 1 1 933 . 7 1 1 A 74 74 ARG CB C 74 29.773 29.958 -0.185 1 1 936 . 7 1 1 A 74 74 ARG N N 74 117.535 118.322 -0.787 1 1 938 . 7 1 1 A 75 75 LYS H H 75 7.123 7.639 -0.516 1 1 939 . 7 1 1 A 75 75 LYS HA H 75 3.960 4.087 -0.127 1 1 948 . 7 1 1 A 75 75 LYS C C 75 178.071 178.941 -0.870 1 1 949 . 7 1 1 A 75 75 LYS CA C 75 59.488 59.055 0.433 1 1 950 . 7 1 1 A 75 75 LYS CB C 75 31.928 31.928 0.000 1 1 954 . 7 1 1 A 75 75 LYS N N 75 119.136 118.330 0.806 1 1 955 . 7 1 1 A 76 76 MET H H 76 7.673 8.263 -0.590 1 1 956 . 7 1 1 A 76 76 MET HA H 76 4.205 4.093 0.112 1 1 964 . 7 1 1 A 76 76 MET C C 76 178.925 178.183 0.742 1 1 965 . 7 1 1 A 76 76 MET CA C 76 58.637 58.743 -0.106 1 1 966 . 7 1 1 A 76 76 MET CB C 76 32.344 32.275 0.069 1 1 969 . 7 1 1 A 76 76 MET N N 76 116.794 119.293 -2.499 1 1 970 . 7 1 1 A 77 77 VAL H H 77 7.928 8.201 -0.273 1 1 971 . 7 1 1 A 77 77 VAL HA H 77 3.601 3.393 0.208 1 1 979 . 7 1 1 A 77 77 VAL C C 77 177.318 177.750 -0.432 1 1 980 . 7 1 1 A 77 77 VAL CA C 77 66.468 66.707 -0.239 1 1 981 . 7 1 1 A 77 77 VAL CB C 77 31.477 31.672 -0.195 1 1 984 . 7 1 1 A 77 77 VAL N N 77 117.999 118.922 -0.923 1 1 985 . 7 1 1 A 78 78 MET H H 78 8.446 8.356 0.090 1 1 986 . 7 1 1 A 78 78 MET HA H 78 4.136 4.215 -0.079 1 1 994 . 7 1 1 A 78 78 MET C C 78 178.542 178.126 0.416 1 1 995 . 7 1 1 A 78 78 MET CA C 78 58.514 59.033 -0.519 1 1 996 . 7 1 1 A 78 78 MET CB C 78 31.036 32.622 -1.586 1 1 999 . 7 1 1 A 78 78 MET N N 78 119.079 117.542 1.537 1 1 1000 . 7 1 1 A 79 79 ASP H H 79 8.202 8.385 -0.183 1 1 1001 . 7 1 1 A 79 79 ASP HA H 79 4.419 4.198 0.221 1 1 1004 . 7 1 1 A 79 79 ASP C C 79 179.097 178.468 0.629 1 1 1005 . 7 1 1 A 79 79 ASP CA C 79 57.277 57.380 -0.103 1 1 1006 . 7 1 1 A 79 79 ASP CB C 79 39.813 41.883 -2.070 1 1 1007 . 7 1 1 A 79 79 ASP N N 79 119.422 120.006 -0.584 1 1 1008 . 7 1 1 A 80 80 ILE H H 80 7.625 7.355 0.270 1 1 1009 . 7 1 1 A 80 80 ILE HA H 80 3.643 3.455 0.188 1 1 1019 . 7 1 1 A 80 80 ILE C C 80 178.024 178.379 -0.355 1 1 1020 . 7 1 1 A 80 80 ILE CA C 80 64.717 64.879 -0.162 1 1 1021 . 7 1 1 A 80 80 ILE CB C 80 37.661 37.673 -0.012 1 1 1025 . 7 1 1 A 80 80 ILE N N 80 121.750 119.679 2.071 1 1 1026 . 7 1 1 A 81 81 LEU H H 81 8.071 8.307 -0.236 1 1 1027 . 7 1 1 A 81 81 LEU HA H 81 3.908 3.921 -0.013 1 1 1037 . 7 1 1 A 81 81 LEU C C 81 178.852 178.968 -0.116 1 1 1038 . 7 1 1 A 81 81 LEU CA C 81 57.329 58.075 -0.746 1 1 1039 . 7 1 1 A 81 81 LEU CB C 81 41.544 40.644 0.900 1 1 1043 . 7 1 1 A 81 81 LEU N N 81 119.850 118.886 0.964 1 1 1044 . 7 1 1 A 82 82 ASN H H 82 8.188 8.057 0.131 1 1 1045 . 7 1 1 A 82 82 ASN HA H 82 4.417 3.994 0.423 1 1 1050 . 7 1 1 A 82 82 ASN C C 82 176.440 177.304 -0.864 1 1 1051 . 7 1 1 A 82 82 ASN CA C 82 55.011 55.898 -0.887 1 1 1052 . 7 1 1 A 82 82 ASN CB C 82 38.461 38.589 -0.128 1 1 1053 . 7 1 1 A 82 82 ASN N N 82 116.186 117.634 -1.448 1 1 1055 . 7 1 1 A 83 83 PHE H H 83 7.779 7.767 0.012 1 1 1056 . 7 1 1 A 83 83 PHE HA H 83 4.352 4.069 0.283 1 1 1064 . 7 1 1 A 83 83 PHE C C 83 176.767 176.988 -0.221 1 1 1065 . 7 1 1 A 83 83 PHE CA C 83 59.557 61.355 -1.798 1 1 1066 . 7 1 1 A 83 83 PHE CB C 83 38.944 38.964 -0.020 1 1 1070 . 7 1 1 A 83 83 PHE N N 83 118.925 120.179 -1.254 1 1 1071 . 7 1 1 A 84 84 TYR H H 84 8.057 8.045 0.012 1 1 1072 . 7 1 1 A 84 84 TYR HA H 84 4.388 4.120 0.268 1 1 1079 . 7 1 1 A 84 84 TYR C C 84 176.233 176.027 0.206 1 1 1080 . 7 1 1 A 84 84 TYR CA C 84 59.261 59.940 -0.679 1 1 1081 . 7 1 1 A 84 84 TYR CB C 84 38.503 38.678 -0.175 1 1 1084 . 7 1 1 A 84 84 TYR N N 84 118.223 117.081 1.142 1 1 1085 . 7 1 1 A 85 85 ASN H H 85 8.192 7.943 0.249 1 1 1086 . 7 1 1 A 85 85 ASN HA H 85 4.679 5.054 -0.375 1 1 1091 . 7 1 1 A 85 85 ASN C C 85 175.367 174.660 0.707 1 1 1092 . 7 1 1 A 85 85 ASN CA C 85 53.261 52.252 1.009 1 1 1093 . 7 1 1 A 85 85 ASN CB C 85 38.501 40.004 -1.503 1 1 1094 . 7 1 1 A 85 85 ASN N N 85 118.935 112.150 6.785 1 1 1096 . 7 1 1 A 86 86 LYS H H 86 8.151 8.875 -0.724 1 1 1097 . 7 1 1 A 86 86 LYS HA H 86 4.151 4.390 -0.239 1 1 1106 . 7 1 1 A 86 86 LYS C C 86 176.981 178.184 -1.203 1 1 1107 . 7 1 1 A 86 86 LYS CA C 86 57.714 58.153 -0.439 1 1 1108 . 7 1 1 A 86 86 LYS CB C 86 32.368 32.354 0.014 1 1 1112 . 7 1 1 A 86 86 LYS N N 86 121.533 121.331 0.202 1 1 1113 . 7 1 1 A 87 87 ASP H H 87 8.269 8.111 0.158 1 1 1114 . 7 1 1 A 87 87 ASP HA H 87 4.553 4.451 0.102 1 1 1117 . 7 1 1 A 87 87 ASP C C 87 177.209 177.542 -0.333 1 1 1118 . 7 1 1 A 87 87 ASP CA C 87 55.538 56.404 -0.866 1 1 1119 . 7 1 1 A 87 87 ASP CB C 87 40.677 40.873 -0.196 1 1 1120 . 7 1 1 A 87 87 ASP N N 87 119.408 120.832 -1.424 1 1 1121 . 7 1 1 A 88 88 MET H H 88 7.941 8.130 -0.189 1 1 1122 . 7 1 1 A 88 88 MET HA H 88 4.257 4.521 -0.264 1 1 1130 . 7 1 1 A 88 88 MET C C 88 176.851 178.288 -1.437 1 1 1131 . 7 1 1 A 88 88 MET CA C 88 56.461 56.592 -0.131 1 1 1132 . 7 1 1 A 88 88 MET CB C 88 32.371 33.378 -1.007 1 1 1135 . 7 1 1 A 88 88 MET N N 88 119.377 115.940 3.437 1 1 1136 . 7 1 1 A 89 89 TYR H H 89 8.094 8.015 0.079 1 1 1137 . 7 1 1 A 89 89 TYR HA H 89 4.350 4.221 0.129 1 1 1144 . 7 1 1 A 89 89 TYR C C 89 176.252 177.721 -1.469 1 1 1145 . 7 1 1 A 89 89 TYR CA C 89 59.097 60.823 -1.726 1 1 1146 . 7 1 1 A 89 89 TYR CB C 89 38.051 38.626 -0.575 1 1 1149 . 7 1 1 A 89 89 TYR N N 89 119.418 121.873 -2.455 1 1 1150 . 7 1 1 A 90 90 ASN H H 90 8.244 8.069 0.175 1 1 1151 . 7 1 1 A 90 90 ASN HA H 90 4.573 4.389 0.184 1 1 1156 . 7 1 1 A 90 90 ASN C C 90 175.907 177.589 -1.682 1 1 1157 . 7 1 1 A 90 90 ASN CA C 90 53.867 55.873 -2.006 1 1 1158 . 7 1 1 A 90 90 ASN CB C 90 38.479 38.040 0.439 1 1 1159 . 7 1 1 A 90 90 ASN N N 90 118.918 117.851 1.067 1 1 1161 . 7 1 1 A 91 91 GLN H H 91 8.176 7.988 0.188 1 1 1162 . 7 1 1 A 91 91 GLN HA H 91 4.216 4.198 0.018 1 1 1169 . 7 1 1 A 91 91 GLN C C 91 176.568 178.723 -2.155 1 1 1170 . 7 1 1 A 91 91 GLN CA C 91 56.600 58.332 -1.732 1 1 1171 . 7 1 1 A 91 91 GLN CB C 91 28.859 28.735 0.124 1 1 1173 . 7 1 1 A 91 91 GLN N N 91 119.648 120.288 -0.640 1 1 1175 . 7 1 1 A 92 92 LEU H H 92 8.015 7.959 0.056 1 1 1176 . 7 1 1 A 92 92 LEU HA H 92 4.214 3.877 0.337 1 1 1186 . 7 1 1 A 92 92 LEU C C 92 177.661 178.104 -0.443 1 1 1187 . 7 1 1 A 92 92 LEU CA C 92 55.550 58.097 -2.547 1 1 1188 . 7 1 1 A 92 92 LEU CB C 92 41.994 41.751 0.243 1 1 1192 . 7 1 1 A 92 92 LEU N N 92 121.059 119.995 1.064 1 1 1193 . 7 1 1 A 93 93 GLU H H 93 8.132 7.392 0.740 1 1 1194 . 7 1 1 A 93 93 GLU HA H 93 4.099 4.300 -0.201 1 1 1199 . 7 1 1 A 93 93 GLU C C 93 176.461 174.835 1.626 1 1 1200 . 7 1 1 A 93 93 GLU CA C 93 56.838 54.931 1.907 1 1 1201 . 7 1 1 A 93 93 GLU CB C 93 29.803 28.267 1.536 1 1 1203 . 7 1 1 A 93 93 GLU N N 93 119.896 117.393 2.503 1 1 1204 . 7 1 1 A 94 94 HIS H H 94 8.134 8.339 -0.205 1 1 1205 . 7 1 1 A 94 94 HIS C C 94 174.994 173.743 1.251 1 1 1206 . 7 1 1 A 94 94 HIS CA C 94 56.075 54.739 1.336 1 1 1207 . 7 1 1 A 94 94 HIS CB C 94 29.997 29.332 0.665 1 1 1 . 8 1 1 A 2 2 ASP HA H 2 4.708 5.001 -0.293 1 1 4 . 8 1 1 A 2 2 ASP C C 2 176.847 176.821 0.026 1 1 5 . 8 1 1 A 2 2 ASP CA C 2 53.800 52.573 1.227 1 1 6 . 8 1 1 A 2 2 ASP CB C 2 40.922 40.540 0.382 1 1 7 . 8 1 1 A 3 3 GLN H H 3 9.117 8.168 0.949 1 1 8 . 8 1 1 A 3 3 GLN HA H 3 4.139 4.014 0.125 1 1 15 . 8 1 1 A 3 3 GLN C C 3 177.725 177.667 0.058 1 1 16 . 8 1 1 A 3 3 GLN CA C 3 58.612 58.348 0.264 1 1 17 . 8 1 1 A 3 3 GLN CB C 3 28.880 27.332 1.548 1 1 19 . 8 1 1 A 3 3 GLN N N 3 124.129 119.148 4.981 1 1 21 . 8 1 1 A 4 4 LEU H H 4 8.285 8.065 0.220 1 1 22 . 8 1 1 A 4 4 LEU HA H 4 3.947 3.907 0.040 1 1 32 . 8 1 1 A 4 4 LEU C C 4 178.111 178.976 -0.865 1 1 33 . 8 1 1 A 4 4 LEU CA C 4 56.421 57.195 -0.774 1 1 34 . 8 1 1 A 4 4 LEU CB C 4 40.690 40.950 -0.260 1 1 38 . 8 1 1 A 4 4 LEU N N 4 117.977 121.251 -3.274 1 1 39 . 8 1 1 A 5 5 LYS H H 5 7.624 7.912 -0.288 1 1 40 . 8 1 1 A 5 5 LYS HA H 5 3.837 3.959 -0.122 1 1 49 . 8 1 1 A 5 5 LYS C C 5 178.775 178.975 -0.200 1 1 50 . 8 1 1 A 5 5 LYS CA C 5 59.939 59.276 0.663 1 1 51 . 8 1 1 A 5 5 LYS CB C 5 32.344 32.061 0.283 1 1 55 . 8 1 1 A 5 5 LYS N N 5 121.000 120.991 0.009 1 1 56 . 8 1 1 A 6 6 THR H H 6 7.852 7.699 0.153 1 1 57 . 8 1 1 A 6 6 THR HA H 6 3.908 3.921 -0.013 1 1 62 . 8 1 1 A 6 6 THR C C 6 176.483 176.329 0.154 1 1 63 . 8 1 1 A 6 6 THR CA C 6 66.062 67.076 -1.014 1 1 64 . 8 1 1 A 6 6 THR CB C 6 68.255 68.553 -0.298 1 1 66 . 8 1 1 A 6 6 THR N N 6 115.606 116.691 -1.085 1 1 67 . 8 1 1 A 7 7 ILE H H 7 7.791 8.051 -0.260 1 1 68 . 8 1 1 A 7 7 ILE HA H 7 3.422 3.559 -0.137 1 1 78 . 8 1 1 A 7 7 ILE C C 7 177.219 177.933 -0.714 1 1 79 . 8 1 1 A 7 7 ILE CA C 7 65.799 65.107 0.692 1 1 80 . 8 1 1 A 7 7 ILE CB C 7 37.619 37.559 0.060 1 1 84 . 8 1 1 A 7 7 ILE N N 7 122.292 121.341 0.951 1 1 85 . 8 1 1 A 8 8 LYS H H 8 8.233 7.947 0.286 1 1 86 . 8 1 1 A 8 8 LYS HA H 8 3.721 3.811 -0.090 1 1 95 . 8 1 1 A 8 8 LYS C C 8 179.054 180.342 -1.288 1 1 96 . 8 1 1 A 8 8 LYS CA C 8 60.378 60.483 -0.105 1 1 97 . 8 1 1 A 8 8 LYS CB C 8 31.990 32.217 -0.227 1 1 101 . 8 1 1 A 8 8 LYS N N 8 119.853 118.573 1.280 1 1 102 . 8 1 1 A 9 9 GLU H H 9 7.677 8.592 -0.915 1 1 103 . 8 1 1 A 9 9 GLU HA H 9 4.138 4.013 0.125 1 1 108 . 8 1 1 A 9 9 GLU C C 9 178.839 179.208 -0.369 1 1 109 . 8 1 1 A 9 9 GLU CA C 9 59.045 59.090 -0.045 1 1 110 . 8 1 1 A 9 9 GLU CB C 9 28.877 29.061 -0.184 1 1 112 . 8 1 1 A 9 9 GLU N N 9 118.933 120.449 -1.516 1 1 113 . 8 1 1 A 10 10 LEU H H 10 7.996 8.058 -0.062 1 1 114 . 8 1 1 A 10 10 LEU HA H 10 4.027 4.023 0.004 1 1 124 . 8 1 1 A 10 10 LEU C C 10 179.717 179.317 0.400 1 1 125 . 8 1 1 A 10 10 LEU CA C 10 58.212 57.903 0.309 1 1 126 . 8 1 1 A 10 10 LEU CB C 10 41.994 41.710 0.284 1 1 130 . 8 1 1 A 10 10 LEU N N 10 120.361 120.187 0.174 1 1 131 . 8 1 1 A 11 11 ILE H H 11 8.059 8.359 -0.300 1 1 132 . 8 1 1 A 11 11 ILE HA H 11 3.233 3.500 -0.267 1 1 142 . 8 1 1 A 11 11 ILE C C 11 179.525 178.487 1.038 1 1 143 . 8 1 1 A 11 11 ILE CA C 11 65.782 65.003 0.779 1 1 144 . 8 1 1 A 11 11 ILE CB C 11 37.620 37.449 0.171 1 1 148 . 8 1 1 A 11 11 ILE N N 11 118.455 119.340 -0.885 1 1 149 . 8 1 1 A 12 12 ASN H H 12 8.219 8.223 -0.004 1 1 150 . 8 1 1 A 12 12 ASN HA H 12 4.355 4.480 -0.125 1 1 155 . 8 1 1 A 12 12 ASN C C 12 177.168 178.067 -0.899 1 1 156 . 8 1 1 A 12 12 ASN CA C 12 55.945 56.499 -0.554 1 1 157 . 8 1 1 A 12 12 ASN CB C 12 38.012 37.903 0.109 1 1 158 . 8 1 1 A 12 12 ASN N N 12 120.732 119.247 1.485 1 1 160 . 8 1 1 A 13 13 GLN H H 13 8.028 7.774 0.254 1 1 161 . 8 1 1 A 13 13 GLN HA H 13 4.295 4.193 0.102 1 1 168 . 8 1 1 A 13 13 GLN C C 13 176.418 176.282 0.136 1 1 169 . 8 1 1 A 13 13 GLN CA C 13 55.821 55.296 0.525 1 1 170 . 8 1 1 A 13 13 GLN CB C 13 28.852 27.916 0.936 1 1 172 . 8 1 1 A 13 13 GLN N N 13 116.080 114.012 2.068 1 1 174 . 8 1 1 A 14 14 GLY H H 14 7.853 7.760 0.093 1 1 175 . 8 1 1 A 14 14 GLY HA2 H 14 4.337 3.933 0.404 1 1 176 . 8 1 1 A 14 14 GLY HA3 H 14 3.511 3.942 -0.431 1 1 177 . 8 1 1 A 14 14 GLY C C 14 174.233 173.684 0.549 1 1 178 . 8 1 1 A 14 14 GLY CA C 14 45.063 45.029 0.034 1 1 179 . 8 1 1 A 14 14 GLY N N 14 107.118 109.692 -2.574 1 1 180 . 8 1 1 A 15 15 ASP H H 15 8.325 8.156 0.169 1 1 181 . 8 1 1 A 15 15 ASP HA H 15 4.973 4.645 0.328 1 1 184 . 8 1 1 A 15 15 ASP C C 15 176.427 176.623 -0.196 1 1 185 . 8 1 1 A 15 15 ASP CA C 15 51.828 52.486 -0.658 1 1 186 . 8 1 1 A 15 15 ASP CB C 15 38.583 39.243 -0.660 1 1 187 . 8 1 1 A 15 15 ASP N N 15 125.524 120.266 5.258 1 1 188 . 8 1 1 A 16 16 ILE H H 16 7.615 7.767 -0.152 1 1 189 . 8 1 1 A 16 16 ILE HA H 16 3.353 3.693 -0.340 1 1 199 . 8 1 1 A 16 16 ILE C C 16 177.618 177.663 -0.045 1 1 200 . 8 1 1 A 16 16 ILE CA C 16 62.996 64.820 -1.824 1 1 201 . 8 1 1 A 16 16 ILE CB C 16 35.856 37.774 -1.918 1 1 205 . 8 1 1 A 16 16 ILE N N 16 119.875 125.158 -5.283 1 1 206 . 8 1 1 A 17 17 GLU H H 17 8.844 8.130 0.714 1 1 207 . 8 1 1 A 17 17 GLU HA H 17 3.887 3.871 0.016 1 1 212 . 8 1 1 A 17 17 GLU C C 17 179.739 179.478 0.261 1 1 213 . 8 1 1 A 17 17 GLU CA C 17 60.364 59.631 0.733 1 1 214 . 8 1 1 A 17 17 GLU CB C 17 28.670 29.286 -0.616 1 1 216 . 8 1 1 A 17 17 GLU N N 17 120.080 119.361 0.719 1 1 217 . 8 1 1 A 18 18 ASN H H 18 7.768 7.670 0.098 1 1 218 . 8 1 1 A 18 18 ASN HA H 18 4.535 4.393 0.142 1 1 223 . 8 1 1 A 18 18 ASN C C 18 178.197 177.871 0.326 1 1 224 . 8 1 1 A 18 18 ASN CA C 18 55.682 56.353 -0.671 1 1 225 . 8 1 1 A 18 18 ASN CB C 18 37.615 37.791 -0.176 1 1 226 . 8 1 1 A 18 18 ASN N N 18 116.056 118.750 -2.694 1 1 228 . 8 1 1 A 19 19 ALA H H 19 7.989 7.714 0.275 1 1 229 . 8 1 1 A 19 19 ALA HA H 19 3.870 4.083 -0.213 1 1 233 . 8 1 1 A 19 19 ALA C C 19 178.732 179.955 -1.223 1 1 234 . 8 1 1 A 19 19 ALA CA C 19 55.543 55.068 0.475 1 1 235 . 8 1 1 A 19 19 ALA CB C 19 18.362 18.256 0.106 1 1 236 . 8 1 1 A 19 19 ALA N N 19 123.900 122.762 1.138 1 1 237 . 8 1 1 A 20 20 LEU H H 20 8.589 8.469 0.120 1 1 238 . 8 1 1 A 20 20 LEU HA H 20 3.856 3.791 0.065 1 1 248 . 8 1 1 A 20 20 LEU C C 20 179.139 179.544 -0.405 1 1 249 . 8 1 1 A 20 20 LEU CA C 20 58.169 58.093 0.076 1 1 250 . 8 1 1 A 20 20 LEU CB C 20 41.569 41.377 0.192 1 1 254 . 8 1 1 A 20 20 LEU N N 20 117.052 118.438 -1.386 1 1 255 . 8 1 1 A 21 21 GLN H H 21 7.439 8.433 -0.994 1 1 256 . 8 1 1 A 21 21 GLN HA H 21 4.029 4.236 -0.207 1 1 263 . 8 1 1 A 21 21 GLN C C 21 178.411 177.894 0.517 1 1 264 . 8 1 1 A 21 21 GLN CA C 21 58.730 58.585 0.145 1 1 265 . 8 1 1 A 21 21 GLN CB C 21 28.002 27.773 0.229 1 1 267 . 8 1 1 A 21 21 GLN N N 21 118.218 117.335 0.883 1 1 269 . 8 1 1 A 22 22 ALA H H 22 7.848 7.698 0.150 1 1 270 . 8 1 1 A 22 22 ALA HA H 22 4.191 4.098 0.093 1 1 274 . 8 1 1 A 22 22 ALA C C 22 181.475 180.134 1.341 1 1 275 . 8 1 1 A 22 22 ALA CA C 22 54.631 54.887 -0.256 1 1 276 . 8 1 1 A 22 22 ALA CB C 22 17.907 18.466 -0.559 1 1 277 . 8 1 1 A 22 22 ALA N N 22 121.474 122.352 -0.878 1 1 278 . 8 1 1 A 23 23 LEU H H 23 8.751 8.141 0.610 1 1 279 . 8 1 1 A 23 23 LEU HA H 23 3.906 3.913 -0.007 1 1 289 . 8 1 1 A 23 23 LEU C C 23 177.996 179.260 -1.264 1 1 290 . 8 1 1 A 23 23 LEU CA C 23 58.155 58.136 0.019 1 1 291 . 8 1 1 A 23 23 LEU CB C 23 42.020 41.273 0.747 1 1 295 . 8 1 1 A 23 23 LEU N N 23 122.246 120.374 1.872 1 1 296 . 8 1 1 A 24 24 GLU H H 24 8.247 8.412 -0.165 1 1 297 . 8 1 1 A 24 24 GLU HA H 24 3.971 3.861 0.110 1 1 302 . 8 1 1 A 24 24 GLU C C 24 179.751 179.300 0.451 1 1 303 . 8 1 1 A 24 24 GLU CA C 24 59.506 59.995 -0.489 1 1 304 . 8 1 1 A 24 24 GLU CB C 24 28.849 29.288 -0.439 1 1 306 . 8 1 1 A 24 24 GLU N N 24 119.875 117.575 2.300 1 1 307 . 8 1 1 A 25 25 GLU H H 25 7.736 8.217 -0.481 1 1 308 . 8 1 1 A 25 25 GLU HA H 25 4.013 4.051 -0.038 1 1 313 . 8 1 1 A 25 25 GLU C C 25 179.204 179.074 0.130 1 1 314 . 8 1 1 A 25 25 GLU CA C 25 59.058 59.427 -0.369 1 1 315 . 8 1 1 A 25 25 GLU CB C 25 29.238 29.434 -0.196 1 1 317 . 8 1 1 A 25 25 GLU N N 25 118.451 119.701 -1.250 1 1 318 . 8 1 1 A 26 26 PHE H H 26 8.389 8.123 0.266 1 1 319 . 8 1 1 A 26 26 PHE HA H 26 4.218 4.103 0.115 1 1 327 . 8 1 1 A 26 26 PHE C C 26 178.732 177.196 1.536 1 1 328 . 8 1 1 A 26 26 PHE CA C 26 61.020 60.831 0.189 1 1 329 . 8 1 1 A 26 26 PHE CB C 26 39.383 39.450 -0.067 1 1 333 . 8 1 1 A 26 26 PHE N N 26 122.243 120.567 1.676 1 1 334 . 8 1 1 A 27 27 LEU H H 27 8.643 8.355 0.288 1 1 335 . 8 1 1 A 27 27 LEU HA H 27 3.666 3.966 -0.300 1 1 345 . 8 1 1 A 27 27 LEU C C 27 179.172 179.386 -0.214 1 1 346 . 8 1 1 A 27 27 LEU CA C 27 57.728 57.167 0.561 1 1 347 . 8 1 1 A 27 27 LEU CB C 27 42.008 41.313 0.695 1 1 351 . 8 1 1 A 27 27 LEU N N 27 119.374 119.004 0.370 1 1 352 . 8 1 1 A 28 28 GLN H H 28 7.536 7.824 -0.288 1 1 353 . 8 1 1 A 28 28 GLN HA H 28 4.215 4.283 -0.068 1 1 360 . 8 1 1 A 28 28 GLN C C 28 177.261 178.011 -0.750 1 1 361 . 8 1 1 A 28 28 GLN CA C 28 57.287 57.736 -0.449 1 1 362 . 8 1 1 A 28 28 GLN CB C 28 28.832 29.669 -0.837 1 1 364 . 8 1 1 A 28 28 GLN N N 28 116.095 118.396 -2.301 1 1 366 . 8 1 1 A 29 29 THR H H 29 7.480 7.519 -0.039 1 1 367 . 8 1 1 A 29 29 THR HA H 29 4.332 4.023 0.309 1 1 372 . 8 1 1 A 29 29 THR C C 29 174.092 174.455 -0.363 1 1 373 . 8 1 1 A 29 29 THR CA C 29 62.533 64.472 -1.939 1 1 374 . 8 1 1 A 29 29 THR CB C 29 70.435 69.359 1.076 1 1 376 . 8 1 1 A 29 29 THR N N 29 108.609 115.331 -6.722 1 1 377 . 8 1 1 A 30 30 GLU H H 30 7.935 7.643 0.292 1 1 378 . 8 1 1 A 30 30 GLU HA H 30 4.221 4.580 -0.359 1 1 383 . 8 1 1 A 30 30 GLU CA C 30 54.719 53.932 0.787 1 1 384 . 8 1 1 A 30 30 GLU CB C 30 28.002 29.366 -1.364 1 1 386 . 8 1 1 A 30 30 GLU N N 30 119.400 118.561 0.839 1 1 387 . 8 1 1 A 31 31 PRO HA H 31 4.430 4.326 0.104 1 1 394 . 8 1 1 A 31 31 PRO C C 31 177.447 177.742 -0.295 1 1 395 . 8 1 1 A 31 31 PRO CA C 31 62.992 64.943 -1.951 1 1 396 . 8 1 1 A 31 31 PRO CB C 31 32.354 32.007 0.347 1 1 399 . 8 1 1 A 32 32 VAL H H 32 7.989 7.649 0.340 1 1 400 . 8 1 1 A 32 32 VAL HA H 32 4.211 3.893 0.318 1 1 408 . 8 1 1 A 32 32 VAL C C 32 176.778 177.565 -0.787 1 1 409 . 8 1 1 A 32 32 VAL CA C 32 62.755 64.787 -2.032 1 1 410 . 8 1 1 A 32 32 VAL CB C 32 32.697 31.384 1.313 1 1 412 . 8 1 1 A 32 32 VAL N N 32 118.439 116.369 2.070 1 1 413 . 8 1 1 A 33 33 GLY H H 33 8.764 8.201 0.563 1 1 414 . 8 1 1 A 33 33 GLY HA2 H 33 4.195 4.139 0.056 1 1 415 . 8 1 1 A 33 33 GLY HA3 H 33 4.195 4.340 -0.145 1 1 416 . 8 1 1 A 33 33 GLY C C 33 176.287 175.522 0.765 1 1 417 . 8 1 1 A 33 33 GLY CA C 33 45.917 45.896 0.021 1 1 418 . 8 1 1 A 33 33 GLY N N 33 111.588 108.349 3.239 1 1 419 . 8 1 1 A 34 34 LYS H H 34 8.296 8.008 0.288 1 1 420 . 8 1 1 A 34 34 LYS HA H 34 3.839 4.183 -0.344 1 1 429 . 8 1 1 A 34 34 LYS C C 34 177.040 178.964 -1.924 1 1 430 . 8 1 1 A 34 34 LYS CA C 34 59.883 59.544 0.339 1 1 431 . 8 1 1 A 34 34 LYS CB C 34 32.883 32.306 0.577 1 1 435 . 8 1 1 A 34 34 LYS N N 34 119.887 121.107 -1.220 1 1 436 . 8 1 1 A 35 35 ASP H H 35 9.065 8.525 0.540 1 1 437 . 8 1 1 A 35 35 ASP HA H 35 4.362 4.448 -0.086 1 1 440 . 8 1 1 A 35 35 ASP C C 35 177.018 179.027 -2.009 1 1 441 . 8 1 1 A 35 35 ASP CA C 35 57.636 57.841 -0.205 1 1 442 . 8 1 1 A 35 35 ASP CB C 35 41.086 42.218 -1.132 1 1 443 . 8 1 1 A 35 35 ASP N N 35 115.065 119.782 -4.717 1 1 444 . 8 1 1 A 36 36 GLU H H 36 7.474 8.073 -0.599 1 1 445 . 8 1 1 A 36 36 GLU HA H 36 4.275 4.107 0.168 1 1 450 . 8 1 1 A 36 36 GLU C C 36 178.261 178.434 -0.173 1 1 451 . 8 1 1 A 36 36 GLU CA C 36 59.046 59.655 -0.609 1 1 452 . 8 1 1 A 36 36 GLU CB C 36 29.283 29.360 -0.077 1 1 454 . 8 1 1 A 36 36 GLU N N 36 121.291 119.372 1.919 1 1 455 . 8 1 1 A 37 37 ALA H H 37 7.674 7.867 -0.193 1 1 456 . 8 1 1 A 37 37 ALA HA H 37 3.887 4.086 -0.199 1 1 460 . 8 1 1 A 37 37 ALA C C 37 179.161 179.554 -0.393 1 1 461 . 8 1 1 A 37 37 ALA CA C 37 55.091 55.088 0.003 1 1 462 . 8 1 1 A 37 37 ALA CB C 37 17.925 18.107 -0.182 1 1 463 . 8 1 1 A 37 37 ALA N N 37 120.365 122.337 -1.972 1 1 464 . 8 1 1 A 38 38 TYR H H 38 8.175 8.459 -0.284 1 1 465 . 8 1 1 A 38 38 TYR HA H 38 4.422 4.288 0.134 1 1 472 . 8 1 1 A 38 38 TYR C C 38 178.497 178.268 0.229 1 1 473 . 8 1 1 A 38 38 TYR CA C 38 62.662 61.020 1.642 1 1 474 . 8 1 1 A 38 38 TYR CB C 38 37.996 37.919 0.077 1 1 477 . 8 1 1 A 38 38 TYR N N 38 117.027 116.181 0.846 1 1 478 . 8 1 1 A 39 39 TYR H H 39 8.321 8.041 0.280 1 1 479 . 8 1 1 A 39 39 TYR HA H 39 4.413 4.379 0.034 1 1 486 . 8 1 1 A 39 39 TYR C C 39 176.311 177.129 -0.818 1 1 487 . 8 1 1 A 39 39 TYR CA C 39 60.856 61.840 -0.984 1 1 488 . 8 1 1 A 39 39 TYR CB C 39 38.015 38.908 -0.893 1 1 491 . 8 1 1 A 39 39 TYR N N 39 120.527 121.274 -0.747 1 1 492 . 8 1 1 A 40 40 LEU H H 40 8.508 8.363 0.145 1 1 493 . 8 1 1 A 40 40 LEU HA H 40 3.585 3.902 -0.317 1 1 503 . 8 1 1 A 40 40 LEU C C 40 178.857 179.179 -0.322 1 1 504 . 8 1 1 A 40 40 LEU CA C 40 57.723 57.746 -0.023 1 1 505 . 8 1 1 A 40 40 LEU CB C 40 41.543 41.111 0.432 1 1 509 . 8 1 1 A 40 40 LEU N N 40 118.925 120.436 -1.511 1 1 510 . 8 1 1 A 41 41 MET H H 41 8.661 8.304 0.357 1 1 511 . 8 1 1 A 41 41 MET HA H 41 3.611 4.044 -0.433 1 1 519 . 8 1 1 A 41 41 MET C C 41 178.325 179.156 -0.831 1 1 520 . 8 1 1 A 41 41 MET CA C 41 59.498 59.174 0.324 1 1 521 . 8 1 1 A 41 41 MET CB C 41 32.806 32.705 0.101 1 1 524 . 8 1 1 A 41 41 MET N N 41 119.892 117.785 2.107 1 1 525 . 8 1 1 A 42 42 GLY H H 42 8.531 8.334 0.197 1 1 526 . 8 1 1 A 42 42 GLY HA2 H 42 3.564 2.717 0.847 1 1 527 . 8 1 1 A 42 42 GLY HA3 H 42 3.164 3.498 -0.334 1 1 528 . 8 1 1 A 42 42 GLY C C 42 174.726 176.052 -1.326 1 1 529 . 8 1 1 A 42 42 GLY CA C 42 48.104 47.011 1.093 1 1 530 . 8 1 1 A 42 42 GLY N N 42 107.064 108.722 -1.658 1 1 531 . 8 1 1 A 43 43 ASN H H 43 8.260 7.572 0.688 1 1 532 . 8 1 1 A 43 43 ASN HA H 43 4.334 4.495 -0.161 1 1 537 . 8 1 1 A 43 43 ASN C C 43 178.111 177.797 0.314 1 1 538 . 8 1 1 A 43 43 ASN CA C 43 54.966 56.333 -1.367 1 1 539 . 8 1 1 A 43 43 ASN CB C 43 36.326 38.145 -1.819 1 1 540 . 8 1 1 A 43 43 ASN N N 43 120.815 120.182 0.633 1 1 542 . 8 1 1 A 44 44 ALA H H 44 8.487 7.827 0.660 1 1 543 . 8 1 1 A 44 44 ALA HA H 44 3.788 3.967 -0.179 1 1 547 . 8 1 1 A 44 44 ALA C C 44 178.389 179.497 -1.108 1 1 548 . 8 1 1 A 44 44 ALA CA C 44 55.152 54.917 0.235 1 1 549 . 8 1 1 A 44 44 ALA CB C 44 16.897 17.876 -0.979 1 1 550 . 8 1 1 A 44 44 ALA N N 44 125.304 122.932 2.372 1 1 551 . 8 1 1 A 45 45 TYR H H 45 8.160 8.111 0.049 1 1 552 . 8 1 1 A 45 45 TYR HA H 45 4.168 4.271 -0.103 1 1 559 . 8 1 1 A 45 45 TYR C C 45 178.775 178.066 0.709 1 1 560 . 8 1 1 A 45 45 TYR CA C 45 62.995 61.643 1.352 1 1 561 . 8 1 1 A 45 45 TYR CB C 45 36.944 37.846 -0.902 1 1 564 . 8 1 1 A 45 45 TYR N N 45 115.156 115.886 -0.730 1 1 565 . 8 1 1 A 46 46 ARG H H 46 8.901 8.408 0.493 1 1 566 . 8 1 1 A 46 46 ARG HA H 46 3.677 3.665 0.012 1 1 573 . 8 1 1 A 46 46 ARG C C 46 179.396 178.212 1.184 1 1 574 . 8 1 1 A 46 46 ARG CA C 46 59.924 59.272 0.652 1 1 575 . 8 1 1 A 46 46 ARG CB C 46 30.131 29.790 0.341 1 1 578 . 8 1 1 A 46 46 ARG N N 46 121.781 121.411 0.370 1 1 579 . 8 1 1 A 47 47 LYS H H 47 7.813 7.698 0.115 1 1 580 . 8 1 1 A 47 47 LYS HA H 47 4.058 4.148 -0.090 1 1 589 . 8 1 1 A 47 47 LYS C C 47 178.111 178.994 -0.883 1 1 590 . 8 1 1 A 47 47 LYS CA C 47 58.950 59.044 -0.094 1 1 591 . 8 1 1 A 47 47 LYS CB C 47 31.906 32.069 -0.163 1 1 595 . 8 1 1 A 47 47 LYS N N 47 120.818 119.463 1.355 1 1 596 . 8 1 1 A 48 48 LEU H H 48 7.312 7.611 -0.299 1 1 597 . 8 1 1 A 48 48 LEU HA H 48 4.228 4.033 0.195 1 1 607 . 8 1 1 A 48 48 LEU C C 48 177.254 177.170 0.084 1 1 608 . 8 1 1 A 48 48 LEU CA C 48 54.908 56.135 -1.227 1 1 609 . 8 1 1 A 48 48 LEU CB C 48 42.475 42.688 -0.213 1 1 613 . 8 1 1 A 48 48 LEU N N 48 116.553 116.909 -0.356 1 1 614 . 8 1 1 A 49 49 GLY H H 49 7.564 7.924 -0.360 1 1 615 . 8 1 1 A 49 49 GLY HA2 H 49 3.607 3.681 -0.074 1 1 616 . 8 1 1 A 49 49 GLY HA3 H 49 2.316 3.883 -1.567 1 1 617 . 8 1 1 A 49 49 GLY C C 49 172.900 173.404 -0.504 1 1 618 . 8 1 1 A 49 49 GLY CA C 49 44.184 44.740 -0.556 1 1 619 . 8 1 1 A 49 49 GLY N N 49 107.326 105.663 1.663 1 1 620 . 8 1 1 A 50 50 ASP H H 50 7.670 7.962 -0.292 1 1 621 . 8 1 1 A 50 50 ASP HA H 50 4.564 4.648 -0.084 1 1 624 . 8 1 1 A 50 50 ASP C C 50 175.681 175.693 -0.012 1 1 625 . 8 1 1 A 50 50 ASP CA C 50 51.083 52.694 -1.611 1 1 626 . 8 1 1 A 50 50 ASP CB C 50 39.169 41.887 -2.718 1 1 627 . 8 1 1 A 50 50 ASP N N 50 120.356 119.749 0.607 1 1 628 . 8 1 1 A 51 51 TRP H H 51 6.939 8.580 -1.641 1 1 629 . 8 1 1 A 51 51 TRP HA H 51 4.314 4.473 -0.159 1 1 638 . 8 1 1 A 51 51 TRP C C 51 178.047 178.825 -0.778 1 1 639 . 8 1 1 A 51 51 TRP CA C 51 58.473 59.861 -1.388 1 1 640 . 8 1 1 A 51 51 TRP CB C 51 30.099 29.277 0.822 1 1 646 . 8 1 1 A 51 51 TRP N N 51 121.784 125.994 -4.210 1 1 648 . 8 1 1 A 52 52 GLN H H 52 8.677 8.510 0.167 1 1 649 . 8 1 1 A 52 52 GLN HA H 52 3.960 3.967 -0.007 1 1 656 . 8 1 1 A 52 52 GLN C C 52 178.454 178.082 0.372 1 1 657 . 8 1 1 A 52 52 GLN CA C 52 58.925 58.807 0.118 1 1 658 . 8 1 1 A 52 52 GLN CB C 52 28.183 28.810 -0.627 1 1 660 . 8 1 1 A 52 52 GLN N N 52 117.018 120.718 -3.700 1 1 662 . 8 1 1 A 53 53 LYS H H 53 7.392 8.405 -1.013 1 1 663 . 8 1 1 A 53 53 LYS HA H 53 3.774 3.832 -0.058 1 1 672 . 8 1 1 A 53 53 LYS C C 53 180.361 178.897 1.464 1 1 673 . 8 1 1 A 53 53 LYS CA C 53 59.764 59.136 0.628 1 1 674 . 8 1 1 A 53 53 LYS CB C 53 30.802 31.944 -1.142 1 1 678 . 8 1 1 A 53 53 LYS N N 53 117.913 118.863 -0.950 1 1 679 . 8 1 1 A 54 54 ALA H H 54 8.223 7.472 0.751 1 1 680 . 8 1 1 A 54 54 ALA HA H 54 4.012 3.905 0.107 1 1 684 . 8 1 1 A 54 54 ALA C C 54 177.635 180.197 -2.562 1 1 685 . 8 1 1 A 54 54 ALA CA C 54 55.792 54.969 0.823 1 1 686 . 8 1 1 A 54 54 ALA CB C 54 17.045 18.028 -0.983 1 1 687 . 8 1 1 A 54 54 ALA N N 54 123.665 121.882 1.783 1 1 688 . 8 1 1 A 55 55 LEU H H 55 8.425 8.749 -0.324 1 1 689 . 8 1 1 A 55 55 LEU HA H 55 4.010 4.033 -0.023 1 1 699 . 8 1 1 A 55 55 LEU C C 55 179.568 179.574 -0.006 1 1 700 . 8 1 1 A 55 55 LEU CA C 55 58.611 58.273 0.338 1 1 701 . 8 1 1 A 55 55 LEU CB C 55 41.500 41.998 -0.498 1 1 705 . 8 1 1 A 55 55 LEU N N 55 116.583 118.747 -2.164 1 1 706 . 8 1 1 A 56 56 ASN H H 56 8.284 8.653 -0.369 1 1 707 . 8 1 1 A 56 56 ASN HA H 56 4.360 4.444 -0.084 1 1 712 . 8 1 1 A 56 56 ASN C C 56 177.790 177.161 0.629 1 1 713 . 8 1 1 A 56 56 ASN CA C 56 55.852 55.670 0.182 1 1 714 . 8 1 1 A 56 56 ASN CB C 56 37.882 37.200 0.682 1 1 715 . 8 1 1 A 56 56 ASN N N 56 117.763 116.249 1.514 1 1 717 . 8 1 1 A 57 57 ASN H H 57 7.600 7.544 0.056 1 1 718 . 8 1 1 A 57 57 ASN HA H 57 4.425 4.482 -0.057 1 1 723 . 8 1 1 A 57 57 ASN C C 57 177.404 178.049 -0.645 1 1 724 . 8 1 1 A 57 57 ASN CA C 57 58.105 56.195 1.910 1 1 725 . 8 1 1 A 57 57 ASN CB C 57 38.931 38.514 0.417 1 1 726 . 8 1 1 A 57 57 ASN N N 57 118.927 118.422 0.505 1 1 728 . 8 1 1 A 58 58 TYR H H 58 8.838 8.284 0.554 1 1 729 . 8 1 1 A 58 58 TYR HA H 58 4.667 4.415 0.252 1 1 736 . 8 1 1 A 58 58 TYR C C 58 178.047 178.373 -0.326 1 1 737 . 8 1 1 A 58 58 TYR CA C 58 58.430 61.835 -3.405 1 1 738 . 8 1 1 A 58 58 TYR CB C 58 36.743 38.176 -1.433 1 1 741 . 8 1 1 A 58 58 TYR N N 58 118.473 119.247 -0.774 1 1 742 . 8 1 1 A 59 59 GLN H H 59 8.572 8.616 -0.044 1 1 743 . 8 1 1 A 59 59 GLN HA H 59 4.022 3.969 0.053 1 1 750 . 8 1 1 A 59 59 GLN C C 59 178.040 178.166 -0.126 1 1 751 . 8 1 1 A 59 59 GLN CA C 59 59.054 58.876 0.178 1 1 752 . 8 1 1 A 59 59 GLN CB C 59 27.126 28.539 -1.413 1 1 754 . 8 1 1 A 59 59 GLN N N 59 118.483 120.721 -2.238 1 1 756 . 8 1 1 A 60 60 SER H H 60 7.696 8.018 -0.322 1 1 757 . 8 1 1 A 60 60 SER HA H 60 3.931 3.938 -0.007 1 1 760 . 8 1 1 A 60 60 SER C C 60 175.926 176.197 -0.271 1 1 761 . 8 1 1 A 60 60 SER CA C 60 62.121 61.463 0.658 1 1 762 . 8 1 1 A 60 60 SER CB C 60 61.244 62.007 -0.763 1 1 763 . 8 1 1 A 60 60 SER N N 60 116.103 116.908 -0.805 1 1 764 . 8 1 1 A 61 61 ALA H H 61 7.739 7.554 0.185 1 1 765 . 8 1 1 A 61 61 ALA HA H 61 4.075 4.270 -0.195 1 1 769 . 8 1 1 A 61 61 ALA C C 61 178.686 179.989 -1.303 1 1 770 . 8 1 1 A 61 61 ALA CA C 61 56.019 55.151 0.868 1 1 771 . 8 1 1 A 61 61 ALA CB C 61 18.790 18.556 0.234 1 1 772 . 8 1 1 A 61 61 ALA N N 61 122.319 122.751 -0.432 1 1 773 . 8 1 1 A 62 62 ILE H H 62 7.991 7.838 0.153 1 1 774 . 8 1 1 A 62 62 ILE HA H 62 3.857 3.888 -0.031 1 1 784 . 8 1 1 A 62 62 ILE C C 62 178.131 177.922 0.209 1 1 785 . 8 1 1 A 62 62 ILE CA C 62 63.418 65.318 -1.900 1 1 786 . 8 1 1 A 62 62 ILE CB C 62 39.119 37.612 1.507 1 1 790 . 8 1 1 A 62 62 ILE N N 62 117.981 118.881 -0.900 1 1 791 . 8 1 1 A 63 63 GLU H H 63 7.988 8.738 -0.750 1 1 792 . 8 1 1 A 63 63 GLU HA H 63 3.902 4.101 -0.199 1 1 797 . 8 1 1 A 63 63 GLU C C 63 178.564 178.692 -0.128 1 1 798 . 8 1 1 A 63 63 GLU CA C 63 58.594 59.480 -0.886 1 1 799 . 8 1 1 A 63 63 GLU CB C 63 29.278 29.119 0.159 1 1 801 . 8 1 1 A 63 63 GLU N N 63 118.190 119.655 -1.465 1 1 802 . 8 1 1 A 64 64 LEU H H 64 7.024 7.632 -0.608 1 1 803 . 8 1 1 A 64 64 LEU HA H 64 4.347 4.278 0.069 1 1 813 . 8 1 1 A 64 64 LEU C C 64 177.496 177.147 0.349 1 1 814 . 8 1 1 A 64 64 LEU CA C 64 55.810 56.876 -1.066 1 1 815 . 8 1 1 A 64 64 LEU CB C 64 43.746 43.390 0.356 1 1 819 . 8 1 1 A 64 64 LEU N N 64 116.109 119.218 -3.109 1 1 820 . 8 1 1 A 65 65 ASN H H 65 8.270 8.574 -0.304 1 1 821 . 8 1 1 A 65 65 ASN HA H 65 5.068 5.030 0.038 1 1 826 . 8 1 1 A 65 65 ASN C C 65 172.512 174.248 -1.736 1 1 827 . 8 1 1 A 65 65 ASN CA C 65 49.457 49.675 -0.218 1 1 828 . 8 1 1 A 65 65 ASN CB C 65 38.936 39.734 -0.798 1 1 829 . 8 1 1 A 65 65 ASN N N 65 116.544 116.319 0.225 1 1 831 . 8 1 1 A 66 66 PRO HA H 66 4.467 4.325 0.142 1 1 838 . 8 1 1 A 66 66 PRO C C 66 176.054 177.041 -0.987 1 1 839 . 8 1 1 A 66 66 PRO CA C 66 63.894 64.946 -1.052 1 1 840 . 8 1 1 A 66 66 PRO CB C 66 31.935 31.812 0.123 1 1 843 . 8 1 1 A 67 67 ASP H H 67 7.326 7.725 -0.399 1 1 844 . 8 1 1 A 67 67 ASP HA H 67 4.863 4.778 0.085 1 1 847 . 8 1 1 A 67 67 ASP C C 67 175.647 174.982 0.665 1 1 848 . 8 1 1 A 67 67 ASP CA C 67 53.273 53.001 0.272 1 1 849 . 8 1 1 A 67 67 ASP CB C 67 41.453 39.467 1.986 1 1 850 . 8 1 1 A 67 67 ASP N N 67 114.579 117.987 -3.408 1 1 851 . 8 1 1 A 68 68 SER H H 68 7.670 7.615 0.055 1 1 852 . 8 1 1 A 68 68 SER HA H 68 4.315 4.818 -0.503 1 1 856 . 8 1 1 A 68 68 SER C C 68 175.108 173.940 1.168 1 1 857 . 8 1 1 A 68 68 SER CA C 68 56.422 54.346 2.076 1 1 858 . 8 1 1 A 68 68 SER CB C 68 63.880 64.334 -0.454 1 1 859 . 8 1 1 A 68 68 SER N N 68 115.624 118.989 -3.365 1 1 860 . 8 1 1 A 69 69 PRO HA H 69 4.588 4.205 0.383 1 1 867 . 8 1 1 A 69 69 PRO C C 69 177.083 177.205 -0.122 1 1 868 . 8 1 1 A 69 69 PRO CA C 69 63.870 64.730 -0.860 1 1 869 . 8 1 1 A 69 69 PRO CB C 69 30.612 31.531 -0.919 1 1 872 . 8 1 1 A 70 70 ALA H H 70 8.442 7.885 0.557 1 1 873 . 8 1 1 A 70 70 ALA HA H 70 3.679 4.255 -0.576 1 1 877 . 8 1 1 A 70 70 ALA C C 70 177.667 179.846 -2.179 1 1 878 . 8 1 1 A 70 70 ALA CA C 70 54.025 54.316 -0.291 1 1 879 . 8 1 1 A 70 70 ALA CB C 70 20.741 18.791 1.950 1 1 880 . 8 1 1 A 70 70 ALA N N 70 121.749 119.730 2.019 1 1 881 . 8 1 1 A 71 71 LEU H H 71 7.956 8.308 -0.352 1 1 882 . 8 1 1 A 71 71 LEU HA H 71 3.883 4.058 -0.175 1 1 892 . 8 1 1 A 71 71 LEU C C 71 179.241 178.535 0.706 1 1 893 . 8 1 1 A 71 71 LEU CA C 71 58.602 57.803 0.799 1 1 894 . 8 1 1 A 71 71 LEU CB C 71 41.987 41.540 0.447 1 1 898 . 8 1 1 A 71 71 LEU N N 71 119.448 121.213 -1.765 1 1 899 . 8 1 1 A 72 72 GLN H H 72 7.464 7.850 -0.386 1 1 900 . 8 1 1 A 72 72 GLN HA H 72 4.049 4.097 -0.048 1 1 907 . 8 1 1 A 72 72 GLN C C 72 178.432 178.314 0.118 1 1 908 . 8 1 1 A 72 72 GLN CA C 72 58.626 58.886 -0.260 1 1 909 . 8 1 1 A 72 72 GLN CB C 72 27.557 27.649 -0.092 1 1 911 . 8 1 1 A 72 72 GLN N N 72 117.976 117.891 0.085 1 1 913 . 8 1 1 A 73 73 ALA H H 73 7.296 7.823 -0.527 1 1 914 . 8 1 1 A 73 73 ALA HA H 73 4.017 3.916 0.101 1 1 918 . 8 1 1 A 73 73 ALA C C 73 178.775 179.450 -0.675 1 1 919 . 8 1 1 A 73 73 ALA CA C 73 54.688 54.841 -0.153 1 1 920 . 8 1 1 A 73 73 ALA CB C 73 17.473 17.834 -0.361 1 1 921 . 8 1 1 A 73 73 ALA N N 73 123.083 122.976 0.107 1 1 922 . 8 1 1 A 74 74 ARG H H 74 8.328 8.095 0.233 1 1 923 . 8 1 1 A 74 74 ARG HA H 74 3.820 4.136 -0.316 1 1 931 . 8 1 1 A 74 74 ARG C C 74 177.297 178.404 -1.107 1 1 932 . 8 1 1 A 74 74 ARG CA C 74 59.805 59.244 0.561 1 1 933 . 8 1 1 A 74 74 ARG CB C 74 29.773 29.738 0.035 1 1 936 . 8 1 1 A 74 74 ARG N N 74 117.535 118.088 -0.553 1 1 938 . 8 1 1 A 75 75 LYS H H 75 7.123 7.766 -0.643 1 1 939 . 8 1 1 A 75 75 LYS HA H 75 3.960 4.114 -0.154 1 1 948 . 8 1 1 A 75 75 LYS C C 75 178.071 178.388 -0.317 1 1 949 . 8 1 1 A 75 75 LYS CA C 75 59.488 59.490 -0.002 1 1 950 . 8 1 1 A 75 75 LYS CB C 75 31.928 31.916 0.012 1 1 954 . 8 1 1 A 75 75 LYS N N 75 119.136 119.625 -0.489 1 1 955 . 8 1 1 A 76 76 MET H H 76 7.673 8.366 -0.693 1 1 956 . 8 1 1 A 76 76 MET HA H 76 4.205 4.035 0.170 1 1 964 . 8 1 1 A 76 76 MET C C 76 178.925 178.154 0.771 1 1 965 . 8 1 1 A 76 76 MET CA C 76 58.637 58.769 -0.132 1 1 966 . 8 1 1 A 76 76 MET CB C 76 32.344 32.246 0.098 1 1 969 . 8 1 1 A 76 76 MET N N 76 116.794 119.122 -2.328 1 1 970 . 8 1 1 A 77 77 VAL H H 77 7.928 8.225 -0.297 1 1 971 . 8 1 1 A 77 77 VAL HA H 77 3.601 3.437 0.164 1 1 979 . 8 1 1 A 77 77 VAL C C 77 177.318 178.144 -0.826 1 1 980 . 8 1 1 A 77 77 VAL CA C 77 66.468 66.707 -0.239 1 1 981 . 8 1 1 A 77 77 VAL CB C 77 31.477 31.563 -0.086 1 1 984 . 8 1 1 A 77 77 VAL N N 77 117.999 118.902 -0.903 1 1 985 . 8 1 1 A 78 78 MET H H 78 8.446 8.170 0.276 1 1 986 . 8 1 1 A 78 78 MET HA H 78 4.136 4.196 -0.060 1 1 994 . 8 1 1 A 78 78 MET C C 78 178.542 178.148 0.394 1 1 995 . 8 1 1 A 78 78 MET CA C 78 58.514 58.618 -0.104 1 1 996 . 8 1 1 A 78 78 MET CB C 78 31.036 32.990 -1.954 1 1 999 . 8 1 1 A 78 78 MET N N 78 119.079 117.673 1.406 1 1 1000 . 8 1 1 A 79 79 ASP H H 79 8.202 8.617 -0.415 1 1 1001 . 8 1 1 A 79 79 ASP HA H 79 4.419 4.268 0.151 1 1 1004 . 8 1 1 A 79 79 ASP C C 79 179.097 178.133 0.964 1 1 1005 . 8 1 1 A 79 79 ASP CA C 79 57.277 57.455 -0.178 1 1 1006 . 8 1 1 A 79 79 ASP CB C 79 39.813 40.991 -1.178 1 1 1007 . 8 1 1 A 79 79 ASP N N 79 119.422 119.994 -0.572 1 1 1008 . 8 1 1 A 80 80 ILE H H 80 7.625 7.925 -0.300 1 1 1009 . 8 1 1 A 80 80 ILE HA H 80 3.643 3.562 0.081 1 1 1019 . 8 1 1 A 80 80 ILE C C 80 178.024 177.663 0.361 1 1 1020 . 8 1 1 A 80 80 ILE CA C 80 64.717 63.032 1.685 1 1 1021 . 8 1 1 A 80 80 ILE CB C 80 37.661 37.270 0.391 1 1 1025 . 8 1 1 A 80 80 ILE N N 80 121.750 119.631 2.119 1 1 1026 . 8 1 1 A 81 81 LEU H H 81 8.071 8.045 0.026 1 1 1027 . 8 1 1 A 81 81 LEU HA H 81 3.908 3.904 0.004 1 1 1037 . 8 1 1 A 81 81 LEU C C 81 178.852 178.691 0.161 1 1 1038 . 8 1 1 A 81 81 LEU CA C 81 57.329 58.059 -0.730 1 1 1039 . 8 1 1 A 81 81 LEU CB C 81 41.544 41.054 0.490 1 1 1043 . 8 1 1 A 81 81 LEU N N 81 119.850 120.625 -0.775 1 1 1044 . 8 1 1 A 82 82 ASN H H 82 8.188 8.409 -0.221 1 1 1045 . 8 1 1 A 82 82 ASN HA H 82 4.417 4.053 0.364 1 1 1050 . 8 1 1 A 82 82 ASN C C 82 176.440 177.281 -0.841 1 1 1051 . 8 1 1 A 82 82 ASN CA C 82 55.011 56.161 -1.150 1 1 1052 . 8 1 1 A 82 82 ASN CB C 82 38.461 38.418 0.043 1 1 1053 . 8 1 1 A 82 82 ASN N N 82 116.186 117.436 -1.250 1 1 1055 . 8 1 1 A 83 83 PHE H H 83 7.779 8.194 -0.415 1 1 1056 . 8 1 1 A 83 83 PHE HA H 83 4.352 4.107 0.245 1 1 1064 . 8 1 1 A 83 83 PHE C C 83 176.767 176.913 -0.146 1 1 1065 . 8 1 1 A 83 83 PHE CA C 83 59.557 61.178 -1.621 1 1 1066 . 8 1 1 A 83 83 PHE CB C 83 38.944 38.688 0.256 1 1 1070 . 8 1 1 A 83 83 PHE N N 83 118.925 119.920 -0.995 1 1 1071 . 8 1 1 A 84 84 TYR H H 84 8.057 7.708 0.349 1 1 1072 . 8 1 1 A 84 84 TYR HA H 84 4.388 4.248 0.140 1 1 1079 . 8 1 1 A 84 84 TYR C C 84 176.233 175.919 0.314 1 1 1080 . 8 1 1 A 84 84 TYR CA C 84 59.261 60.030 -0.769 1 1 1081 . 8 1 1 A 84 84 TYR CB C 84 38.503 38.697 -0.194 1 1 1084 . 8 1 1 A 84 84 TYR N N 84 118.223 117.016 1.207 1 1 1085 . 8 1 1 A 85 85 ASN H H 85 8.192 8.267 -0.075 1 1 1086 . 8 1 1 A 85 85 ASN HA H 85 4.679 4.970 -0.291 1 1 1091 . 8 1 1 A 85 85 ASN C C 85 175.367 175.269 0.098 1 1 1092 . 8 1 1 A 85 85 ASN CA C 85 53.261 52.035 1.226 1 1 1093 . 8 1 1 A 85 85 ASN CB C 85 38.501 41.762 -3.261 1 1 1094 . 8 1 1 A 85 85 ASN N N 85 118.935 112.849 6.086 1 1 1096 . 8 1 1 A 86 86 LYS H H 86 8.151 8.612 -0.461 1 1 1097 . 8 1 1 A 86 86 LYS HA H 86 4.151 4.503 -0.352 1 1 1106 . 8 1 1 A 86 86 LYS C C 86 176.981 178.035 -1.054 1 1 1107 . 8 1 1 A 86 86 LYS CA C 86 57.714 56.371 1.343 1 1 1108 . 8 1 1 A 86 86 LYS CB C 86 32.368 33.016 -0.648 1 1 1112 . 8 1 1 A 86 86 LYS N N 86 121.533 121.476 0.057 1 1 1113 . 8 1 1 A 87 87 ASP H H 87 8.269 7.955 0.314 1 1 1114 . 8 1 1 A 87 87 ASP HA H 87 4.553 4.356 0.197 1 1 1117 . 8 1 1 A 87 87 ASP C C 87 177.209 178.550 -1.341 1 1 1118 . 8 1 1 A 87 87 ASP CA C 87 55.538 57.447 -1.909 1 1 1119 . 8 1 1 A 87 87 ASP CB C 87 40.677 40.477 0.200 1 1 1120 . 8 1 1 A 87 87 ASP N N 87 119.408 119.288 0.120 1 1 1121 . 8 1 1 A 88 88 MET H H 88 7.941 8.454 -0.513 1 1 1122 . 8 1 1 A 88 88 MET HA H 88 4.257 4.332 -0.075 1 1 1130 . 8 1 1 A 88 88 MET C C 88 176.851 178.459 -1.608 1 1 1131 . 8 1 1 A 88 88 MET CA C 88 56.461 57.211 -0.750 1 1 1132 . 8 1 1 A 88 88 MET CB C 88 32.371 32.284 0.087 1 1 1135 . 8 1 1 A 88 88 MET N N 88 119.377 118.307 1.070 1 1 1136 . 8 1 1 A 89 89 TYR H H 89 8.094 8.076 0.018 1 1 1137 . 8 1 1 A 89 89 TYR HA H 89 4.350 4.153 0.197 1 1 1144 . 8 1 1 A 89 89 TYR C C 89 176.252 177.810 -1.558 1 1 1145 . 8 1 1 A 89 89 TYR CA C 89 59.097 60.762 -1.665 1 1 1146 . 8 1 1 A 89 89 TYR CB C 89 38.051 38.718 -0.667 1 1 1149 . 8 1 1 A 89 89 TYR N N 89 119.418 121.970 -2.552 1 1 1150 . 8 1 1 A 90 90 ASN H H 90 8.244 8.250 -0.006 1 1 1151 . 8 1 1 A 90 90 ASN HA H 90 4.573 4.431 0.142 1 1 1156 . 8 1 1 A 90 90 ASN C C 90 175.907 176.876 -0.969 1 1 1157 . 8 1 1 A 90 90 ASN CA C 90 53.867 56.557 -2.690 1 1 1158 . 8 1 1 A 90 90 ASN CB C 90 38.479 38.628 -0.149 1 1 1159 . 8 1 1 A 90 90 ASN N N 90 118.918 117.474 1.444 1 1 1161 . 8 1 1 A 91 91 GLN H H 91 8.176 8.071 0.105 1 1 1162 . 8 1 1 A 91 91 GLN HA H 91 4.216 4.038 0.178 1 1 1169 . 8 1 1 A 91 91 GLN C C 91 176.568 177.704 -1.136 1 1 1170 . 8 1 1 A 91 91 GLN CA C 91 56.600 58.190 -1.590 1 1 1171 . 8 1 1 A 91 91 GLN CB C 91 28.859 28.650 0.209 1 1 1173 . 8 1 1 A 91 91 GLN N N 91 119.648 117.256 2.392 1 1 1175 . 8 1 1 A 92 92 LEU H H 92 8.015 7.637 0.378 1 1 1176 . 8 1 1 A 92 92 LEU HA H 92 4.214 3.878 0.336 1 1 1186 . 8 1 1 A 92 92 LEU C C 92 177.661 176.982 0.679 1 1 1187 . 8 1 1 A 92 92 LEU CA C 92 55.550 57.542 -1.992 1 1 1188 . 8 1 1 A 92 92 LEU CB C 92 41.994 41.857 0.137 1 1 1192 . 8 1 1 A 92 92 LEU N N 92 121.059 119.509 1.550 1 1 1193 . 8 1 1 A 93 93 GLU H H 93 8.132 7.461 0.671 1 1 1194 . 8 1 1 A 93 93 GLU HA H 93 4.099 4.336 -0.237 1 1 1199 . 8 1 1 A 93 93 GLU C C 93 176.461 175.737 0.724 1 1 1200 . 8 1 1 A 93 93 GLU CA C 93 56.838 55.404 1.434 1 1 1201 . 8 1 1 A 93 93 GLU CB C 93 29.803 29.419 0.384 1 1 1203 . 8 1 1 A 93 93 GLU N N 93 119.896 117.326 2.570 1 1 1204 . 8 1 1 A 94 94 HIS H H 94 8.134 8.416 -0.282 1 1 1205 . 8 1 1 A 94 94 HIS C C 94 174.994 175.576 -0.582 1 1 1206 . 8 1 1 A 94 94 HIS CA C 94 56.075 55.496 0.579 1 1 1207 . 8 1 1 A 94 94 HIS CB C 94 29.997 29.219 0.778 1 1 1 . 9 1 1 A 2 2 ASP HA H 2 4.708 4.275 0.433 1 1 4 . 9 1 1 A 2 2 ASP C C 2 176.847 176.828 0.019 1 1 5 . 9 1 1 A 2 2 ASP CA C 2 53.800 55.419 -1.619 1 1 6 . 9 1 1 A 2 2 ASP CB C 2 40.922 39.098 1.824 1 1 7 . 9 1 1 A 3 3 GLN H H 3 9.117 8.086 1.031 1 1 8 . 9 1 1 A 3 3 GLN HA H 3 4.139 4.049 0.090 1 1 15 . 9 1 1 A 3 3 GLN C C 3 177.725 177.271 0.454 1 1 16 . 9 1 1 A 3 3 GLN CA C 3 58.612 58.138 0.474 1 1 17 . 9 1 1 A 3 3 GLN CB C 3 28.880 27.282 1.598 1 1 19 . 9 1 1 A 3 3 GLN N N 3 124.129 117.224 6.905 1 1 21 . 9 1 1 A 4 4 LEU H H 4 8.285 7.881 0.404 1 1 22 . 9 1 1 A 4 4 LEU HA H 4 3.947 3.861 0.086 1 1 32 . 9 1 1 A 4 4 LEU C C 4 178.111 179.146 -1.035 1 1 33 . 9 1 1 A 4 4 LEU CA C 4 56.421 57.551 -1.130 1 1 34 . 9 1 1 A 4 4 LEU CB C 4 40.690 40.534 0.156 1 1 38 . 9 1 1 A 4 4 LEU N N 4 117.977 121.530 -3.553 1 1 39 . 9 1 1 A 5 5 LYS H H 5 7.624 8.233 -0.609 1 1 40 . 9 1 1 A 5 5 LYS HA H 5 3.837 3.938 -0.101 1 1 49 . 9 1 1 A 5 5 LYS C C 5 178.775 178.533 0.242 1 1 50 . 9 1 1 A 5 5 LYS CA C 5 59.939 59.825 0.114 1 1 51 . 9 1 1 A 5 5 LYS CB C 5 32.344 32.280 0.064 1 1 55 . 9 1 1 A 5 5 LYS N N 5 121.000 120.722 0.278 1 1 56 . 9 1 1 A 6 6 THR H H 6 7.852 7.984 -0.132 1 1 57 . 9 1 1 A 6 6 THR HA H 6 3.908 3.917 -0.009 1 1 62 . 9 1 1 A 6 6 THR C C 6 176.483 176.419 0.064 1 1 63 . 9 1 1 A 6 6 THR CA C 6 66.062 67.032 -0.970 1 1 64 . 9 1 1 A 6 6 THR CB C 6 68.255 68.504 -0.249 1 1 66 . 9 1 1 A 6 6 THR N N 6 115.606 115.512 0.094 1 1 67 . 9 1 1 A 7 7 ILE H H 7 7.791 7.676 0.115 1 1 68 . 9 1 1 A 7 7 ILE HA H 7 3.422 3.535 -0.113 1 1 78 . 9 1 1 A 7 7 ILE C C 7 177.219 177.589 -0.370 1 1 79 . 9 1 1 A 7 7 ILE CA C 7 65.799 65.295 0.504 1 1 80 . 9 1 1 A 7 7 ILE CB C 7 37.619 37.621 -0.002 1 1 84 . 9 1 1 A 7 7 ILE N N 7 122.292 121.485 0.807 1 1 85 . 9 1 1 A 8 8 LYS H H 8 8.233 8.217 0.016 1 1 86 . 9 1 1 A 8 8 LYS HA H 8 3.721 3.867 -0.146 1 1 95 . 9 1 1 A 8 8 LYS C C 8 179.054 179.787 -0.733 1 1 96 . 9 1 1 A 8 8 LYS CA C 8 60.378 60.369 0.009 1 1 97 . 9 1 1 A 8 8 LYS CB C 8 31.990 31.907 0.083 1 1 101 . 9 1 1 A 8 8 LYS N N 8 119.853 118.423 1.430 1 1 102 . 9 1 1 A 9 9 GLU H H 9 7.677 8.300 -0.623 1 1 103 . 9 1 1 A 9 9 GLU HA H 9 4.138 4.057 0.081 1 1 108 . 9 1 1 A 9 9 GLU C C 9 178.839 179.450 -0.611 1 1 109 . 9 1 1 A 9 9 GLU CA C 9 59.045 59.028 0.017 1 1 110 . 9 1 1 A 9 9 GLU CB C 9 28.877 29.719 -0.842 1 1 112 . 9 1 1 A 9 9 GLU N N 9 118.933 120.715 -1.782 1 1 113 . 9 1 1 A 10 10 LEU H H 10 7.996 8.574 -0.578 1 1 114 . 9 1 1 A 10 10 LEU HA H 10 4.027 4.008 0.019 1 1 124 . 9 1 1 A 10 10 LEU C C 10 179.717 178.952 0.765 1 1 125 . 9 1 1 A 10 10 LEU CA C 10 58.212 58.119 0.093 1 1 126 . 9 1 1 A 10 10 LEU CB C 10 41.994 41.888 0.106 1 1 130 . 9 1 1 A 10 10 LEU N N 10 120.361 121.578 -1.217 1 1 131 . 9 1 1 A 11 11 ILE H H 11 8.059 8.400 -0.341 1 1 132 . 9 1 1 A 11 11 ILE HA H 11 3.233 3.465 -0.232 1 1 142 . 9 1 1 A 11 11 ILE C C 11 179.525 177.820 1.705 1 1 143 . 9 1 1 A 11 11 ILE CA C 11 65.782 65.098 0.684 1 1 144 . 9 1 1 A 11 11 ILE CB C 11 37.620 37.651 -0.031 1 1 148 . 9 1 1 A 11 11 ILE N N 11 118.455 119.176 -0.721 1 1 149 . 9 1 1 A 12 12 ASN H H 12 8.219 8.536 -0.317 1 1 150 . 9 1 1 A 12 12 ASN HA H 12 4.355 4.465 -0.110 1 1 155 . 9 1 1 A 12 12 ASN C C 12 177.168 178.638 -1.470 1 1 156 . 9 1 1 A 12 12 ASN CA C 12 55.945 56.615 -0.670 1 1 157 . 9 1 1 A 12 12 ASN CB C 12 38.012 37.583 0.429 1 1 158 . 9 1 1 A 12 12 ASN N N 12 120.732 118.498 2.234 1 1 160 . 9 1 1 A 13 13 GLN H H 13 8.028 7.946 0.082 1 1 161 . 9 1 1 A 13 13 GLN HA H 13 4.295 4.265 0.030 1 1 168 . 9 1 1 A 13 13 GLN C C 13 176.418 175.993 0.425 1 1 169 . 9 1 1 A 13 13 GLN CA C 13 55.821 56.098 -0.277 1 1 170 . 9 1 1 A 13 13 GLN CB C 13 28.852 29.151 -0.299 1 1 172 . 9 1 1 A 13 13 GLN N N 13 116.080 115.884 0.196 1 1 174 . 9 1 1 A 14 14 GLY H H 14 7.853 8.135 -0.282 1 1 175 . 9 1 1 A 14 14 GLY HA2 H 14 4.337 4.012 0.325 1 1 176 . 9 1 1 A 14 14 GLY HA3 H 14 3.511 4.020 -0.509 1 1 177 . 9 1 1 A 14 14 GLY C C 14 174.233 173.869 0.364 1 1 178 . 9 1 1 A 14 14 GLY CA C 14 45.063 44.912 0.151 1 1 179 . 9 1 1 A 14 14 GLY N N 14 107.118 106.115 1.003 1 1 180 . 9 1 1 A 15 15 ASP H H 15 8.325 8.035 0.290 1 1 181 . 9 1 1 A 15 15 ASP HA H 15 4.973 4.617 0.356 1 1 184 . 9 1 1 A 15 15 ASP C C 15 176.427 176.680 -0.253 1 1 185 . 9 1 1 A 15 15 ASP CA C 15 51.828 52.537 -0.709 1 1 186 . 9 1 1 A 15 15 ASP CB C 15 38.583 39.233 -0.650 1 1 187 . 9 1 1 A 15 15 ASP N N 15 125.524 120.395 5.129 1 1 188 . 9 1 1 A 16 16 ILE H H 16 7.615 7.949 -0.334 1 1 189 . 9 1 1 A 16 16 ILE HA H 16 3.353 3.749 -0.396 1 1 199 . 9 1 1 A 16 16 ILE C C 16 177.618 177.496 0.122 1 1 200 . 9 1 1 A 16 16 ILE CA C 16 62.996 64.582 -1.586 1 1 201 . 9 1 1 A 16 16 ILE CB C 16 35.856 37.156 -1.300 1 1 205 . 9 1 1 A 16 16 ILE N N 16 119.875 125.191 -5.316 1 1 206 . 9 1 1 A 17 17 GLU H H 17 8.844 8.193 0.651 1 1 207 . 9 1 1 A 17 17 GLU HA H 17 3.887 3.915 -0.028 1 1 212 . 9 1 1 A 17 17 GLU C C 17 179.739 179.479 0.260 1 1 213 . 9 1 1 A 17 17 GLU CA C 17 60.364 59.609 0.755 1 1 214 . 9 1 1 A 17 17 GLU CB C 17 28.670 29.316 -0.646 1 1 216 . 9 1 1 A 17 17 GLU N N 17 120.080 121.129 -1.049 1 1 217 . 9 1 1 A 18 18 ASN H H 18 7.768 7.776 -0.008 1 1 218 . 9 1 1 A 18 18 ASN HA H 18 4.535 4.406 0.129 1 1 223 . 9 1 1 A 18 18 ASN C C 18 178.197 177.998 0.199 1 1 224 . 9 1 1 A 18 18 ASN CA C 18 55.682 56.492 -0.810 1 1 225 . 9 1 1 A 18 18 ASN CB C 18 37.615 38.026 -0.411 1 1 226 . 9 1 1 A 18 18 ASN N N 18 116.056 118.804 -2.748 1 1 228 . 9 1 1 A 19 19 ALA H H 19 7.989 7.715 0.274 1 1 229 . 9 1 1 A 19 19 ALA HA H 19 3.870 4.029 -0.159 1 1 233 . 9 1 1 A 19 19 ALA C C 19 178.732 179.833 -1.101 1 1 234 . 9 1 1 A 19 19 ALA CA C 19 55.543 55.115 0.428 1 1 235 . 9 1 1 A 19 19 ALA CB C 19 18.362 18.617 -0.255 1 1 236 . 9 1 1 A 19 19 ALA N N 19 123.900 122.913 0.987 1 1 237 . 9 1 1 A 20 20 LEU H H 20 8.589 8.620 -0.031 1 1 238 . 9 1 1 A 20 20 LEU HA H 20 3.856 3.831 0.025 1 1 248 . 9 1 1 A 20 20 LEU C C 20 179.139 178.938 0.201 1 1 249 . 9 1 1 A 20 20 LEU CA C 20 58.169 57.792 0.377 1 1 250 . 9 1 1 A 20 20 LEU CB C 20 41.569 41.227 0.342 1 1 254 . 9 1 1 A 20 20 LEU N N 20 117.052 117.857 -0.805 1 1 255 . 9 1 1 A 21 21 GLN H H 21 7.439 8.311 -0.872 1 1 256 . 9 1 1 A 21 21 GLN HA H 21 4.029 3.936 0.093 1 1 263 . 9 1 1 A 21 21 GLN C C 21 178.411 178.258 0.153 1 1 264 . 9 1 1 A 21 21 GLN CA C 21 58.730 58.843 -0.113 1 1 265 . 9 1 1 A 21 21 GLN CB C 21 28.002 28.603 -0.601 1 1 267 . 9 1 1 A 21 21 GLN N N 21 118.218 118.792 -0.574 1 1 269 . 9 1 1 A 22 22 ALA H H 22 7.848 7.613 0.235 1 1 270 . 9 1 1 A 22 22 ALA HA H 22 4.191 4.113 0.078 1 1 274 . 9 1 1 A 22 22 ALA C C 22 181.475 180.290 1.185 1 1 275 . 9 1 1 A 22 22 ALA CA C 22 54.631 54.281 0.350 1 1 276 . 9 1 1 A 22 22 ALA CB C 22 17.907 18.344 -0.437 1 1 277 . 9 1 1 A 22 22 ALA N N 22 121.474 121.473 0.001 1 1 278 . 9 1 1 A 23 23 LEU H H 23 8.751 8.088 0.663 1 1 279 . 9 1 1 A 23 23 LEU HA H 23 3.906 3.943 -0.037 1 1 289 . 9 1 1 A 23 23 LEU C C 23 177.996 179.086 -1.090 1 1 290 . 9 1 1 A 23 23 LEU CA C 23 58.155 58.158 -0.003 1 1 291 . 9 1 1 A 23 23 LEU CB C 23 42.020 41.544 0.476 1 1 295 . 9 1 1 A 23 23 LEU N N 23 122.246 119.606 2.640 1 1 296 . 9 1 1 A 24 24 GLU H H 24 8.247 8.349 -0.102 1 1 297 . 9 1 1 A 24 24 GLU HA H 24 3.971 3.969 0.002 1 1 302 . 9 1 1 A 24 24 GLU C C 24 179.751 179.664 0.087 1 1 303 . 9 1 1 A 24 24 GLU CA C 24 59.506 59.617 -0.111 1 1 304 . 9 1 1 A 24 24 GLU CB C 24 28.849 29.054 -0.205 1 1 306 . 9 1 1 A 24 24 GLU N N 24 119.875 117.343 2.532 1 1 307 . 9 1 1 A 25 25 GLU H H 25 7.736 7.745 -0.009 1 1 308 . 9 1 1 A 25 25 GLU HA H 25 4.013 4.093 -0.080 1 1 313 . 9 1 1 A 25 25 GLU C C 25 179.204 179.187 0.017 1 1 314 . 9 1 1 A 25 25 GLU CA C 25 59.058 59.260 -0.202 1 1 315 . 9 1 1 A 25 25 GLU CB C 25 29.238 29.208 0.030 1 1 317 . 9 1 1 A 25 25 GLU N N 25 118.451 119.606 -1.155 1 1 318 . 9 1 1 A 26 26 PHE H H 26 8.389 8.363 0.026 1 1 319 . 9 1 1 A 26 26 PHE HA H 26 4.218 4.061 0.157 1 1 327 . 9 1 1 A 26 26 PHE C C 26 178.732 177.238 1.494 1 1 328 . 9 1 1 A 26 26 PHE CA C 26 61.020 61.437 -0.417 1 1 329 . 9 1 1 A 26 26 PHE CB C 26 39.383 39.699 -0.316 1 1 333 . 9 1 1 A 26 26 PHE N N 26 122.243 120.966 1.277 1 1 334 . 9 1 1 A 27 27 LEU H H 27 8.643 8.397 0.246 1 1 335 . 9 1 1 A 27 27 LEU HA H 27 3.666 3.887 -0.221 1 1 345 . 9 1 1 A 27 27 LEU C C 27 179.172 178.276 0.896 1 1 346 . 9 1 1 A 27 27 LEU CA C 27 57.728 57.292 0.436 1 1 347 . 9 1 1 A 27 27 LEU CB C 27 42.008 41.350 0.658 1 1 351 . 9 1 1 A 27 27 LEU N N 27 119.374 118.749 0.625 1 1 352 . 9 1 1 A 28 28 GLN H H 28 7.536 7.719 -0.183 1 1 353 . 9 1 1 A 28 28 GLN HA H 28 4.215 4.149 0.066 1 1 360 . 9 1 1 A 28 28 GLN C C 28 177.261 176.210 1.051 1 1 361 . 9 1 1 A 28 28 GLN CA C 28 57.287 57.501 -0.214 1 1 362 . 9 1 1 A 28 28 GLN CB C 28 28.832 29.052 -0.220 1 1 364 . 9 1 1 A 28 28 GLN N N 28 116.095 117.100 -1.005 1 1 366 . 9 1 1 A 29 29 THR H H 29 7.480 8.128 -0.648 1 1 367 . 9 1 1 A 29 29 THR HA H 29 4.332 4.573 -0.241 1 1 372 . 9 1 1 A 29 29 THR C C 29 174.092 173.700 0.392 1 1 373 . 9 1 1 A 29 29 THR CA C 29 62.533 62.649 -0.116 1 1 374 . 9 1 1 A 29 29 THR CB C 29 70.435 71.320 -0.885 1 1 376 . 9 1 1 A 29 29 THR N N 29 108.609 114.089 -5.480 1 1 377 . 9 1 1 A 30 30 GLU H H 30 7.935 7.288 0.647 1 1 378 . 9 1 1 A 30 30 GLU HA H 30 4.221 4.589 -0.368 1 1 383 . 9 1 1 A 30 30 GLU CA C 30 54.719 52.600 2.119 1 1 384 . 9 1 1 A 30 30 GLU CB C 30 28.002 30.357 -2.355 1 1 386 . 9 1 1 A 30 30 GLU N N 30 119.400 120.761 -1.361 1 1 387 . 9 1 1 A 31 31 PRO HA H 31 4.430 4.285 0.145 1 1 394 . 9 1 1 A 31 31 PRO C C 31 177.447 177.756 -0.309 1 1 395 . 9 1 1 A 31 31 PRO CA C 31 62.992 65.089 -2.097 1 1 396 . 9 1 1 A 31 31 PRO CB C 31 32.354 31.896 0.458 1 1 399 . 9 1 1 A 32 32 VAL H H 32 7.989 7.661 0.328 1 1 400 . 9 1 1 A 32 32 VAL HA H 32 4.211 4.093 0.118 1 1 408 . 9 1 1 A 32 32 VAL C C 32 176.778 177.791 -1.013 1 1 409 . 9 1 1 A 32 32 VAL CA C 32 62.755 64.452 -1.697 1 1 410 . 9 1 1 A 32 32 VAL CB C 32 32.697 32.707 -0.010 1 1 412 . 9 1 1 A 32 32 VAL N N 32 118.439 115.657 2.782 1 1 413 . 9 1 1 A 33 33 GLY H H 33 8.764 8.044 0.720 1 1 414 . 9 1 1 A 33 33 GLY HA2 H 33 4.195 4.074 0.121 1 1 415 . 9 1 1 A 33 33 GLY HA3 H 33 4.195 4.156 0.039 1 1 416 . 9 1 1 A 33 33 GLY C C 33 176.287 175.236 1.051 1 1 417 . 9 1 1 A 33 33 GLY CA C 33 45.917 45.703 0.214 1 1 418 . 9 1 1 A 33 33 GLY N N 33 111.588 108.289 3.299 1 1 419 . 9 1 1 A 34 34 LYS H H 34 8.296 7.855 0.441 1 1 420 . 9 1 1 A 34 34 LYS HA H 34 3.839 4.285 -0.446 1 1 429 . 9 1 1 A 34 34 LYS C C 34 177.040 179.494 -2.454 1 1 430 . 9 1 1 A 34 34 LYS CA C 34 59.883 59.588 0.295 1 1 431 . 9 1 1 A 34 34 LYS CB C 34 32.883 32.533 0.350 1 1 435 . 9 1 1 A 34 34 LYS N N 34 119.887 120.036 -0.149 1 1 436 . 9 1 1 A 35 35 ASP H H 35 9.065 8.709 0.356 1 1 437 . 9 1 1 A 35 35 ASP HA H 35 4.362 4.512 -0.150 1 1 440 . 9 1 1 A 35 35 ASP C C 35 177.018 178.650 -1.632 1 1 441 . 9 1 1 A 35 35 ASP CA C 35 57.636 57.296 0.340 1 1 442 . 9 1 1 A 35 35 ASP CB C 35 41.086 40.079 1.007 1 1 443 . 9 1 1 A 35 35 ASP N N 35 115.065 118.332 -3.267 1 1 444 . 9 1 1 A 36 36 GLU H H 36 7.474 8.043 -0.569 1 1 445 . 9 1 1 A 36 36 GLU HA H 36 4.275 4.103 0.172 1 1 450 . 9 1 1 A 36 36 GLU C C 36 178.261 178.537 -0.276 1 1 451 . 9 1 1 A 36 36 GLU CA C 36 59.046 59.587 -0.541 1 1 452 . 9 1 1 A 36 36 GLU CB C 36 29.283 29.571 -0.288 1 1 454 . 9 1 1 A 36 36 GLU N N 36 121.291 120.231 1.060 1 1 455 . 9 1 1 A 37 37 ALA H H 37 7.674 7.675 -0.001 1 1 456 . 9 1 1 A 37 37 ALA HA H 37 3.887 4.125 -0.238 1 1 460 . 9 1 1 A 37 37 ALA C C 37 179.161 179.796 -0.635 1 1 461 . 9 1 1 A 37 37 ALA CA C 37 55.091 55.235 -0.144 1 1 462 . 9 1 1 A 37 37 ALA CB C 37 17.925 18.408 -0.483 1 1 463 . 9 1 1 A 37 37 ALA N N 37 120.365 122.683 -2.318 1 1 464 . 9 1 1 A 38 38 TYR H H 38 8.175 8.815 -0.640 1 1 465 . 9 1 1 A 38 38 TYR HA H 38 4.422 4.415 0.007 1 1 472 . 9 1 1 A 38 38 TYR C C 38 178.497 178.478 0.019 1 1 473 . 9 1 1 A 38 38 TYR CA C 38 62.662 60.860 1.802 1 1 474 . 9 1 1 A 38 38 TYR CB C 38 37.996 37.868 0.128 1 1 477 . 9 1 1 A 38 38 TYR N N 38 117.027 116.267 0.760 1 1 478 . 9 1 1 A 39 39 TYR H H 39 8.321 8.135 0.186 1 1 479 . 9 1 1 A 39 39 TYR HA H 39 4.413 4.405 0.008 1 1 486 . 9 1 1 A 39 39 TYR C C 39 176.311 177.193 -0.882 1 1 487 . 9 1 1 A 39 39 TYR CA C 39 60.856 61.742 -0.886 1 1 488 . 9 1 1 A 39 39 TYR CB C 39 38.015 38.904 -0.889 1 1 491 . 9 1 1 A 39 39 TYR N N 39 120.527 120.983 -0.456 1 1 492 . 9 1 1 A 40 40 LEU H H 40 8.508 8.414 0.094 1 1 493 . 9 1 1 A 40 40 LEU HA H 40 3.585 3.946 -0.361 1 1 503 . 9 1 1 A 40 40 LEU C C 40 178.857 179.357 -0.500 1 1 504 . 9 1 1 A 40 40 LEU CA C 40 57.723 57.819 -0.096 1 1 505 . 9 1 1 A 40 40 LEU CB C 40 41.543 41.173 0.370 1 1 509 . 9 1 1 A 40 40 LEU N N 40 118.925 120.498 -1.573 1 1 510 . 9 1 1 A 41 41 MET H H 41 8.661 8.499 0.162 1 1 511 . 9 1 1 A 41 41 MET HA H 41 3.611 4.028 -0.417 1 1 519 . 9 1 1 A 41 41 MET C C 41 178.325 178.980 -0.655 1 1 520 . 9 1 1 A 41 41 MET CA C 41 59.498 59.169 0.329 1 1 521 . 9 1 1 A 41 41 MET CB C 41 32.806 32.610 0.196 1 1 524 . 9 1 1 A 41 41 MET N N 41 119.892 118.183 1.709 1 1 525 . 9 1 1 A 42 42 GLY H H 42 8.531 8.379 0.152 1 1 526 . 9 1 1 A 42 42 GLY HA2 H 42 3.564 3.120 0.444 1 1 527 . 9 1 1 A 42 42 GLY HA3 H 42 3.164 3.696 -0.532 1 1 528 . 9 1 1 A 42 42 GLY C C 42 174.726 175.471 -0.745 1 1 529 . 9 1 1 A 42 42 GLY CA C 42 48.104 47.081 1.023 1 1 530 . 9 1 1 A 42 42 GLY N N 42 107.064 108.530 -1.466 1 1 531 . 9 1 1 A 43 43 ASN H H 43 8.260 8.447 -0.187 1 1 532 . 9 1 1 A 43 43 ASN HA H 43 4.334 4.818 -0.484 1 1 537 . 9 1 1 A 43 43 ASN C C 43 178.111 177.511 0.600 1 1 538 . 9 1 1 A 43 43 ASN CA C 43 54.966 55.982 -1.016 1 1 539 . 9 1 1 A 43 43 ASN CB C 43 36.326 38.919 -2.593 1 1 540 . 9 1 1 A 43 43 ASN N N 43 120.815 119.687 1.128 1 1 542 . 9 1 1 A 44 44 ALA H H 44 8.487 8.046 0.441 1 1 543 . 9 1 1 A 44 44 ALA HA H 44 3.788 3.969 -0.181 1 1 547 . 9 1 1 A 44 44 ALA C C 44 178.389 179.288 -0.899 1 1 548 . 9 1 1 A 44 44 ALA CA C 44 55.152 54.903 0.249 1 1 549 . 9 1 1 A 44 44 ALA CB C 44 16.897 18.104 -1.207 1 1 550 . 9 1 1 A 44 44 ALA N N 44 125.304 121.037 4.267 1 1 551 . 9 1 1 A 45 45 TYR H H 45 8.160 7.981 0.179 1 1 552 . 9 1 1 A 45 45 TYR HA H 45 4.168 4.259 -0.091 1 1 559 . 9 1 1 A 45 45 TYR C C 45 178.775 177.865 0.910 1 1 560 . 9 1 1 A 45 45 TYR CA C 45 62.995 61.613 1.382 1 1 561 . 9 1 1 A 45 45 TYR CB C 45 36.944 37.675 -0.731 1 1 564 . 9 1 1 A 45 45 TYR N N 45 115.156 115.987 -0.831 1 1 565 . 9 1 1 A 46 46 ARG H H 46 8.901 8.283 0.618 1 1 566 . 9 1 1 A 46 46 ARG HA H 46 3.677 3.694 -0.017 1 1 573 . 9 1 1 A 46 46 ARG C C 46 179.396 178.988 0.408 1 1 574 . 9 1 1 A 46 46 ARG CA C 46 59.924 59.501 0.423 1 1 575 . 9 1 1 A 46 46 ARG CB C 46 30.131 29.969 0.162 1 1 578 . 9 1 1 A 46 46 ARG N N 46 121.781 120.980 0.801 1 1 579 . 9 1 1 A 47 47 LYS H H 47 7.813 7.588 0.225 1 1 580 . 9 1 1 A 47 47 LYS HA H 47 4.058 4.090 -0.032 1 1 589 . 9 1 1 A 47 47 LYS C C 47 178.111 179.246 -1.135 1 1 590 . 9 1 1 A 47 47 LYS CA C 47 58.950 58.870 0.080 1 1 591 . 9 1 1 A 47 47 LYS CB C 47 31.906 31.886 0.020 1 1 595 . 9 1 1 A 47 47 LYS N N 47 120.818 119.293 1.525 1 1 596 . 9 1 1 A 48 48 LEU H H 48 7.312 7.249 0.063 1 1 597 . 9 1 1 A 48 48 LEU HA H 48 4.228 3.962 0.266 1 1 607 . 9 1 1 A 48 48 LEU C C 48 177.254 176.569 0.685 1 1 608 . 9 1 1 A 48 48 LEU CA C 48 54.908 57.016 -2.108 1 1 609 . 9 1 1 A 48 48 LEU CB C 48 42.475 42.479 -0.004 1 1 613 . 9 1 1 A 48 48 LEU N N 48 116.553 117.444 -0.891 1 1 614 . 9 1 1 A 49 49 GLY H H 49 7.564 7.769 -0.205 1 1 615 . 9 1 1 A 49 49 GLY HA2 H 49 3.607 3.542 0.065 1 1 616 . 9 1 1 A 49 49 GLY HA3 H 49 2.316 3.850 -1.534 1 1 617 . 9 1 1 A 49 49 GLY C C 49 172.900 173.519 -0.619 1 1 618 . 9 1 1 A 49 49 GLY CA C 49 44.184 44.585 -0.401 1 1 619 . 9 1 1 A 49 49 GLY N N 49 107.326 105.752 1.574 1 1 620 . 9 1 1 A 50 50 ASP H H 50 7.670 7.620 0.050 1 1 621 . 9 1 1 A 50 50 ASP HA H 50 4.564 4.628 -0.064 1 1 624 . 9 1 1 A 50 50 ASP C C 50 175.681 176.428 -0.747 1 1 625 . 9 1 1 A 50 50 ASP CA C 50 51.083 52.500 -1.417 1 1 626 . 9 1 1 A 50 50 ASP CB C 50 39.169 40.486 -1.317 1 1 627 . 9 1 1 A 50 50 ASP N N 50 120.356 119.964 0.392 1 1 628 . 9 1 1 A 51 51 TRP H H 51 6.939 8.118 -1.179 1 1 629 . 9 1 1 A 51 51 TRP HA H 51 4.314 4.419 -0.105 1 1 638 . 9 1 1 A 51 51 TRP C C 51 178.047 178.849 -0.802 1 1 639 . 9 1 1 A 51 51 TRP CA C 51 58.473 59.887 -1.414 1 1 640 . 9 1 1 A 51 51 TRP CB C 51 30.099 29.298 0.801 1 1 646 . 9 1 1 A 51 51 TRP N N 51 121.784 125.146 -3.362 1 1 648 . 9 1 1 A 52 52 GLN H H 52 8.677 8.348 0.329 1 1 649 . 9 1 1 A 52 52 GLN HA H 52 3.960 3.995 -0.035 1 1 656 . 9 1 1 A 52 52 GLN C C 52 178.454 178.218 0.236 1 1 657 . 9 1 1 A 52 52 GLN CA C 52 58.925 58.790 0.135 1 1 658 . 9 1 1 A 52 52 GLN CB C 52 28.183 28.500 -0.317 1 1 660 . 9 1 1 A 52 52 GLN N N 52 117.018 120.493 -3.475 1 1 662 . 9 1 1 A 53 53 LYS H H 53 7.392 7.971 -0.579 1 1 663 . 9 1 1 A 53 53 LYS HA H 53 3.774 3.799 -0.025 1 1 672 . 9 1 1 A 53 53 LYS C C 53 180.361 178.631 1.730 1 1 673 . 9 1 1 A 53 53 LYS CA C 53 59.764 59.138 0.626 1 1 674 . 9 1 1 A 53 53 LYS CB C 53 30.802 31.872 -1.070 1 1 678 . 9 1 1 A 53 53 LYS N N 53 117.913 118.688 -0.775 1 1 679 . 9 1 1 A 54 54 ALA H H 54 8.223 7.562 0.661 1 1 680 . 9 1 1 A 54 54 ALA HA H 54 4.012 3.825 0.187 1 1 684 . 9 1 1 A 54 54 ALA C C 54 177.635 180.023 -2.388 1 1 685 . 9 1 1 A 54 54 ALA CA C 54 55.792 55.040 0.752 1 1 686 . 9 1 1 A 54 54 ALA CB C 54 17.045 17.911 -0.866 1 1 687 . 9 1 1 A 54 54 ALA N N 54 123.665 122.201 1.464 1 1 688 . 9 1 1 A 55 55 LEU H H 55 8.425 8.423 0.002 1 1 689 . 9 1 1 A 55 55 LEU HA H 55 4.010 4.072 -0.062 1 1 699 . 9 1 1 A 55 55 LEU C C 55 179.568 179.438 0.130 1 1 700 . 9 1 1 A 55 55 LEU CA C 55 58.611 58.370 0.241 1 1 701 . 9 1 1 A 55 55 LEU CB C 55 41.500 41.710 -0.210 1 1 705 . 9 1 1 A 55 55 LEU N N 55 116.583 118.729 -2.146 1 1 706 . 9 1 1 A 56 56 ASN H H 56 8.284 8.039 0.245 1 1 707 . 9 1 1 A 56 56 ASN HA H 56 4.360 4.510 -0.150 1 1 712 . 9 1 1 A 56 56 ASN C C 56 177.790 178.622 -0.832 1 1 713 . 9 1 1 A 56 56 ASN CA C 56 55.852 56.633 -0.781 1 1 714 . 9 1 1 A 56 56 ASN CB C 56 37.882 37.948 -0.066 1 1 715 . 9 1 1 A 56 56 ASN N N 56 117.763 117.954 -0.191 1 1 717 . 9 1 1 A 57 57 ASN H H 57 7.600 7.827 -0.227 1 1 718 . 9 1 1 A 57 57 ASN HA H 57 4.425 4.531 -0.106 1 1 723 . 9 1 1 A 57 57 ASN C C 57 177.404 178.167 -0.763 1 1 724 . 9 1 1 A 57 57 ASN CA C 57 58.105 56.441 1.664 1 1 725 . 9 1 1 A 57 57 ASN CB C 57 38.931 38.330 0.601 1 1 726 . 9 1 1 A 57 57 ASN N N 57 118.927 117.699 1.228 1 1 728 . 9 1 1 A 58 58 TYR H H 58 8.838 8.265 0.573 1 1 729 . 9 1 1 A 58 58 TYR HA H 58 4.667 4.381 0.286 1 1 736 . 9 1 1 A 58 58 TYR C C 58 178.047 178.451 -0.404 1 1 737 . 9 1 1 A 58 58 TYR CA C 58 58.430 61.912 -3.482 1 1 738 . 9 1 1 A 58 58 TYR CB C 58 36.743 38.035 -1.292 1 1 741 . 9 1 1 A 58 58 TYR N N 58 118.473 119.194 -0.721 1 1 742 . 9 1 1 A 59 59 GLN H H 59 8.572 8.562 0.010 1 1 743 . 9 1 1 A 59 59 GLN HA H 59 4.022 3.974 0.048 1 1 750 . 9 1 1 A 59 59 GLN C C 59 178.040 178.333 -0.293 1 1 751 . 9 1 1 A 59 59 GLN CA C 59 59.054 58.951 0.103 1 1 752 . 9 1 1 A 59 59 GLN CB C 59 27.126 28.569 -1.443 1 1 754 . 9 1 1 A 59 59 GLN N N 59 118.483 120.253 -1.770 1 1 756 . 9 1 1 A 60 60 SER H H 60 7.696 8.013 -0.317 1 1 757 . 9 1 1 A 60 60 SER HA H 60 3.931 4.167 -0.236 1 1 760 . 9 1 1 A 60 60 SER C C 60 175.926 175.998 -0.072 1 1 761 . 9 1 1 A 60 60 SER CA C 60 62.121 61.557 0.564 1 1 762 . 9 1 1 A 60 60 SER CB C 60 61.244 62.216 -0.972 1 1 763 . 9 1 1 A 60 60 SER N N 60 116.103 116.866 -0.763 1 1 764 . 9 1 1 A 61 61 ALA H H 61 7.739 7.547 0.192 1 1 765 . 9 1 1 A 61 61 ALA HA H 61 4.075 4.194 -0.119 1 1 769 . 9 1 1 A 61 61 ALA C C 61 178.686 179.900 -1.214 1 1 770 . 9 1 1 A 61 61 ALA CA C 61 56.019 55.120 0.899 1 1 771 . 9 1 1 A 61 61 ALA CB C 61 18.790 18.598 0.192 1 1 772 . 9 1 1 A 61 61 ALA N N 61 122.319 122.690 -0.371 1 1 773 . 9 1 1 A 62 62 ILE H H 62 7.991 8.113 -0.122 1 1 774 . 9 1 1 A 62 62 ILE HA H 62 3.857 3.694 0.163 1 1 784 . 9 1 1 A 62 62 ILE C C 62 178.131 178.049 0.082 1 1 785 . 9 1 1 A 62 62 ILE CA C 62 63.418 65.047 -1.629 1 1 786 . 9 1 1 A 62 62 ILE CB C 62 39.119 37.569 1.550 1 1 790 . 9 1 1 A 62 62 ILE N N 62 117.981 118.944 -0.963 1 1 791 . 9 1 1 A 63 63 GLU H H 63 7.988 8.197 -0.209 1 1 792 . 9 1 1 A 63 63 GLU HA H 63 3.902 4.059 -0.157 1 1 797 . 9 1 1 A 63 63 GLU C C 63 178.564 179.184 -0.620 1 1 798 . 9 1 1 A 63 63 GLU CA C 63 58.594 59.221 -0.627 1 1 799 . 9 1 1 A 63 63 GLU CB C 63 29.278 29.373 -0.095 1 1 801 . 9 1 1 A 63 63 GLU N N 63 118.190 119.560 -1.370 1 1 802 . 9 1 1 A 64 64 LEU H H 64 7.024 7.072 -0.048 1 1 803 . 9 1 1 A 64 64 LEU HA H 64 4.347 4.262 0.085 1 1 813 . 9 1 1 A 64 64 LEU C C 64 177.496 177.257 0.239 1 1 814 . 9 1 1 A 64 64 LEU CA C 64 55.810 56.179 -0.369 1 1 815 . 9 1 1 A 64 64 LEU CB C 64 43.746 43.554 0.192 1 1 819 . 9 1 1 A 64 64 LEU N N 64 116.109 119.062 -2.953 1 1 820 . 9 1 1 A 65 65 ASN H H 65 8.270 8.276 -0.006 1 1 821 . 9 1 1 A 65 65 ASN HA H 65 5.068 5.120 -0.052 1 1 826 . 9 1 1 A 65 65 ASN C C 65 172.512 174.090 -1.578 1 1 827 . 9 1 1 A 65 65 ASN CA C 65 49.457 50.059 -0.602 1 1 828 . 9 1 1 A 65 65 ASN CB C 65 38.936 40.006 -1.070 1 1 829 . 9 1 1 A 65 65 ASN N N 65 116.544 115.259 1.285 1 1 831 . 9 1 1 A 66 66 PRO HA H 66 4.467 4.572 -0.105 1 1 838 . 9 1 1 A 66 66 PRO C C 66 176.054 176.183 -0.129 1 1 839 . 9 1 1 A 66 66 PRO CA C 66 63.894 63.969 -0.075 1 1 840 . 9 1 1 A 66 66 PRO CB C 66 31.935 32.141 -0.206 1 1 843 . 9 1 1 A 67 67 ASP H H 67 7.326 8.286 -0.960 1 1 844 . 9 1 1 A 67 67 ASP HA H 67 4.863 4.827 0.036 1 1 847 . 9 1 1 A 67 67 ASP C C 67 175.647 175.517 0.130 1 1 848 . 9 1 1 A 67 67 ASP CA C 67 53.273 53.804 -0.531 1 1 849 . 9 1 1 A 67 67 ASP CB C 67 41.453 41.601 -0.148 1 1 850 . 9 1 1 A 67 67 ASP N N 67 114.579 117.764 -3.185 1 1 851 . 9 1 1 A 68 68 SER H H 68 7.670 7.223 0.447 1 1 852 . 9 1 1 A 68 68 SER HA H 68 4.315 4.619 -0.304 1 1 856 . 9 1 1 A 68 68 SER C C 68 175.108 174.621 0.487 1 1 857 . 9 1 1 A 68 68 SER CA C 68 56.422 56.706 -0.284 1 1 858 . 9 1 1 A 68 68 SER CB C 68 63.880 63.453 0.427 1 1 859 . 9 1 1 A 68 68 SER N N 68 115.624 114.733 0.891 1 1 860 . 9 1 1 A 69 69 PRO HA H 69 4.588 4.481 0.107 1 1 867 . 9 1 1 A 69 69 PRO C C 69 177.083 177.394 -0.311 1 1 868 . 9 1 1 A 69 69 PRO CA C 69 63.870 64.035 -0.165 1 1 869 . 9 1 1 A 69 69 PRO CB C 69 30.612 31.580 -0.968 1 1 872 . 9 1 1 A 70 70 ALA H H 70 8.442 8.305 0.137 1 1 873 . 9 1 1 A 70 70 ALA HA H 70 3.679 4.152 -0.473 1 1 877 . 9 1 1 A 70 70 ALA C C 70 177.667 180.320 -2.653 1 1 878 . 9 1 1 A 70 70 ALA CA C 70 54.025 55.049 -1.024 1 1 879 . 9 1 1 A 70 70 ALA CB C 70 20.741 18.766 1.975 1 1 880 . 9 1 1 A 70 70 ALA N N 70 121.749 121.579 0.170 1 1 881 . 9 1 1 A 71 71 LEU H H 71 7.956 7.758 0.198 1 1 882 . 9 1 1 A 71 71 LEU HA H 71 3.883 3.894 -0.011 1 1 892 . 9 1 1 A 71 71 LEU C C 71 179.241 179.248 -0.007 1 1 893 . 9 1 1 A 71 71 LEU CA C 71 58.602 58.195 0.407 1 1 894 . 9 1 1 A 71 71 LEU CB C 71 41.987 41.554 0.433 1 1 898 . 9 1 1 A 71 71 LEU N N 71 119.448 119.587 -0.139 1 1 899 . 9 1 1 A 72 72 GLN H H 72 7.464 8.219 -0.755 1 1 900 . 9 1 1 A 72 72 GLN HA H 72 4.049 4.054 -0.005 1 1 907 . 9 1 1 A 72 72 GLN C C 72 178.432 178.660 -0.228 1 1 908 . 9 1 1 A 72 72 GLN CA C 72 58.626 58.898 -0.272 1 1 909 . 9 1 1 A 72 72 GLN CB C 72 27.557 28.464 -0.907 1 1 911 . 9 1 1 A 72 72 GLN N N 72 117.976 117.772 0.204 1 1 913 . 9 1 1 A 73 73 ALA H H 73 7.296 8.101 -0.805 1 1 914 . 9 1 1 A 73 73 ALA HA H 73 4.017 4.007 0.010 1 1 918 . 9 1 1 A 73 73 ALA C C 73 178.775 179.967 -1.192 1 1 919 . 9 1 1 A 73 73 ALA CA C 73 54.688 54.764 -0.076 1 1 920 . 9 1 1 A 73 73 ALA CB C 73 17.473 17.925 -0.452 1 1 921 . 9 1 1 A 73 73 ALA N N 73 123.083 122.561 0.522 1 1 922 . 9 1 1 A 74 74 ARG H H 74 8.328 7.635 0.693 1 1 923 . 9 1 1 A 74 74 ARG HA H 74 3.820 4.211 -0.391 1 1 931 . 9 1 1 A 74 74 ARG C C 74 177.297 178.602 -1.305 1 1 932 . 9 1 1 A 74 74 ARG CA C 74 59.805 58.625 1.180 1 1 933 . 9 1 1 A 74 74 ARG CB C 74 29.773 29.805 -0.032 1 1 936 . 9 1 1 A 74 74 ARG N N 74 117.535 118.283 -0.748 1 1 938 . 9 1 1 A 75 75 LYS H H 75 7.123 7.720 -0.597 1 1 939 . 9 1 1 A 75 75 LYS HA H 75 3.960 4.068 -0.108 1 1 948 . 9 1 1 A 75 75 LYS C C 75 178.071 179.470 -1.399 1 1 949 . 9 1 1 A 75 75 LYS CA C 75 59.488 59.542 -0.054 1 1 950 . 9 1 1 A 75 75 LYS CB C 75 31.928 32.322 -0.394 1 1 954 . 9 1 1 A 75 75 LYS N N 75 119.136 118.941 0.195 1 1 955 . 9 1 1 A 76 76 MET H H 76 7.673 8.185 -0.512 1 1 956 . 9 1 1 A 76 76 MET HA H 76 4.205 4.159 0.046 1 1 964 . 9 1 1 A 76 76 MET C C 76 178.925 178.797 0.128 1 1 965 . 9 1 1 A 76 76 MET CA C 76 58.637 58.531 0.106 1 1 966 . 9 1 1 A 76 76 MET CB C 76 32.344 32.474 -0.130 1 1 969 . 9 1 1 A 76 76 MET N N 76 116.794 118.540 -1.746 1 1 970 . 9 1 1 A 77 77 VAL H H 77 7.928 8.068 -0.140 1 1 971 . 9 1 1 A 77 77 VAL HA H 77 3.601 3.482 0.119 1 1 979 . 9 1 1 A 77 77 VAL C C 77 177.318 178.154 -0.836 1 1 980 . 9 1 1 A 77 77 VAL CA C 77 66.468 66.690 -0.222 1 1 981 . 9 1 1 A 77 77 VAL CB C 77 31.477 31.504 -0.027 1 1 984 . 9 1 1 A 77 77 VAL N N 77 117.999 120.841 -2.842 1 1 985 . 9 1 1 A 78 78 MET H H 78 8.446 7.981 0.465 1 1 986 . 9 1 1 A 78 78 MET HA H 78 4.136 4.102 0.034 1 1 994 . 9 1 1 A 78 78 MET C C 78 178.542 178.010 0.532 1 1 995 . 9 1 1 A 78 78 MET CA C 78 58.514 58.670 -0.156 1 1 996 . 9 1 1 A 78 78 MET CB C 78 31.036 32.551 -1.515 1 1 999 . 9 1 1 A 78 78 MET N N 78 119.079 117.531 1.548 1 1 1000 . 9 1 1 A 79 79 ASP H H 79 8.202 7.824 0.378 1 1 1001 . 9 1 1 A 79 79 ASP HA H 79 4.419 4.090 0.329 1 1 1004 . 9 1 1 A 79 79 ASP C C 79 179.097 178.282 0.815 1 1 1005 . 9 1 1 A 79 79 ASP CA C 79 57.277 57.341 -0.064 1 1 1006 . 9 1 1 A 79 79 ASP CB C 79 39.813 41.200 -1.387 1 1 1007 . 9 1 1 A 79 79 ASP N N 79 119.422 120.006 -0.584 1 1 1008 . 9 1 1 A 80 80 ILE H H 80 7.625 7.830 -0.205 1 1 1009 . 9 1 1 A 80 80 ILE HA H 80 3.643 3.733 -0.090 1 1 1019 . 9 1 1 A 80 80 ILE C C 80 178.024 178.154 -0.130 1 1 1020 . 9 1 1 A 80 80 ILE CA C 80 64.717 65.472 -0.755 1 1 1021 . 9 1 1 A 80 80 ILE CB C 80 37.661 37.397 0.264 1 1 1025 . 9 1 1 A 80 80 ILE N N 80 121.750 119.221 2.529 1 1 1026 . 9 1 1 A 81 81 LEU H H 81 8.071 8.342 -0.271 1 1 1027 . 9 1 1 A 81 81 LEU HA H 81 3.908 3.870 0.038 1 1 1037 . 9 1 1 A 81 81 LEU C C 81 178.852 179.285 -0.433 1 1 1038 . 9 1 1 A 81 81 LEU CA C 81 57.329 58.069 -0.740 1 1 1039 . 9 1 1 A 81 81 LEU CB C 81 41.544 41.220 0.324 1 1 1043 . 9 1 1 A 81 81 LEU N N 81 119.850 119.733 0.117 1 1 1044 . 9 1 1 A 82 82 ASN H H 82 8.188 7.982 0.206 1 1 1045 . 9 1 1 A 82 82 ASN HA H 82 4.417 4.189 0.228 1 1 1050 . 9 1 1 A 82 82 ASN C C 82 176.440 178.446 -2.006 1 1 1051 . 9 1 1 A 82 82 ASN CA C 82 55.011 56.344 -1.333 1 1 1052 . 9 1 1 A 82 82 ASN CB C 82 38.461 37.322 1.139 1 1 1053 . 9 1 1 A 82 82 ASN N N 82 116.186 117.052 -0.866 1 1 1055 . 9 1 1 A 83 83 PHE H H 83 7.779 7.352 0.427 1 1 1056 . 9 1 1 A 83 83 PHE HA H 83 4.352 4.123 0.229 1 1 1064 . 9 1 1 A 83 83 PHE C C 83 176.767 177.511 -0.744 1 1 1065 . 9 1 1 A 83 83 PHE CA C 83 59.557 60.715 -1.158 1 1 1066 . 9 1 1 A 83 83 PHE CB C 83 38.944 38.185 0.759 1 1 1070 . 9 1 1 A 83 83 PHE N N 83 118.925 118.868 0.057 1 1 1071 . 9 1 1 A 84 84 TYR H H 84 8.057 7.657 0.400 1 1 1072 . 9 1 1 A 84 84 TYR HA H 84 4.388 4.456 -0.068 1 1 1079 . 9 1 1 A 84 84 TYR C C 84 176.233 176.134 0.099 1 1 1080 . 9 1 1 A 84 84 TYR CA C 84 59.261 60.036 -0.775 1 1 1081 . 9 1 1 A 84 84 TYR CB C 84 38.503 38.782 -0.279 1 1 1084 . 9 1 1 A 84 84 TYR N N 84 118.223 118.099 0.124 1 1 1085 . 9 1 1 A 85 85 ASN H H 85 8.192 8.131 0.061 1 1 1086 . 9 1 1 A 85 85 ASN HA H 85 4.679 5.000 -0.321 1 1 1091 . 9 1 1 A 85 85 ASN C C 85 175.367 175.312 0.055 1 1 1092 . 9 1 1 A 85 85 ASN CA C 85 53.261 52.216 1.045 1 1 1093 . 9 1 1 A 85 85 ASN CB C 85 38.501 41.555 -3.054 1 1 1094 . 9 1 1 A 85 85 ASN N N 85 118.935 112.843 6.092 1 1 1096 . 9 1 1 A 86 86 LYS H H 86 8.151 8.603 -0.452 1 1 1097 . 9 1 1 A 86 86 LYS HA H 86 4.151 4.483 -0.332 1 1 1106 . 9 1 1 A 86 86 LYS C C 86 176.981 178.138 -1.157 1 1 1107 . 9 1 1 A 86 86 LYS CA C 86 57.714 56.862 0.852 1 1 1108 . 9 1 1 A 86 86 LYS CB C 86 32.368 33.050 -0.682 1 1 1112 . 9 1 1 A 86 86 LYS N N 86 121.533 121.701 -0.168 1 1 1113 . 9 1 1 A 87 87 ASP H H 87 8.269 8.015 0.254 1 1 1114 . 9 1 1 A 87 87 ASP HA H 87 4.553 4.383 0.170 1 1 1117 . 9 1 1 A 87 87 ASP C C 87 177.209 178.372 -1.163 1 1 1118 . 9 1 1 A 87 87 ASP CA C 87 55.538 57.587 -2.049 1 1 1119 . 9 1 1 A 87 87 ASP CB C 87 40.677 40.596 0.081 1 1 1120 . 9 1 1 A 87 87 ASP N N 87 119.408 119.249 0.159 1 1 1121 . 9 1 1 A 88 88 MET H H 88 7.941 8.310 -0.369 1 1 1122 . 9 1 1 A 88 88 MET HA H 88 4.257 4.110 0.147 1 1 1130 . 9 1 1 A 88 88 MET C C 88 176.851 177.809 -0.958 1 1 1131 . 9 1 1 A 88 88 MET CA C 88 56.461 58.859 -2.398 1 1 1132 . 9 1 1 A 88 88 MET CB C 88 32.371 32.135 0.236 1 1 1135 . 9 1 1 A 88 88 MET N N 88 119.377 119.506 -0.129 1 1 1136 . 9 1 1 A 89 89 TYR H H 89 8.094 8.162 -0.068 1 1 1137 . 9 1 1 A 89 89 TYR HA H 89 4.350 4.170 0.180 1 1 1144 . 9 1 1 A 89 89 TYR C C 89 176.252 177.897 -1.645 1 1 1145 . 9 1 1 A 89 89 TYR CA C 89 59.097 60.534 -1.437 1 1 1146 . 9 1 1 A 89 89 TYR CB C 89 38.051 38.760 -0.709 1 1 1149 . 9 1 1 A 89 89 TYR N N 89 119.418 121.023 -1.605 1 1 1150 . 9 1 1 A 90 90 ASN H H 90 8.244 8.524 -0.280 1 1 1151 . 9 1 1 A 90 90 ASN HA H 90 4.573 4.456 0.117 1 1 1156 . 9 1 1 A 90 90 ASN C C 90 175.907 177.116 -1.209 1 1 1157 . 9 1 1 A 90 90 ASN CA C 90 53.867 55.915 -2.048 1 1 1158 . 9 1 1 A 90 90 ASN CB C 90 38.479 38.008 0.471 1 1 1159 . 9 1 1 A 90 90 ASN N N 90 118.918 117.241 1.677 1 1 1161 . 9 1 1 A 91 91 GLN H H 91 8.176 7.564 0.612 1 1 1162 . 9 1 1 A 91 91 GLN HA H 91 4.216 4.046 0.170 1 1 1169 . 9 1 1 A 91 91 GLN C C 91 176.568 178.394 -1.826 1 1 1170 . 9 1 1 A 91 91 GLN CA C 91 56.600 58.175 -1.575 1 1 1171 . 9 1 1 A 91 91 GLN CB C 91 28.859 28.543 0.316 1 1 1173 . 9 1 1 A 91 91 GLN N N 91 119.648 119.263 0.385 1 1 1175 . 9 1 1 A 92 92 LEU H H 92 8.015 7.277 0.738 1 1 1176 . 9 1 1 A 92 92 LEU HA H 92 4.214 4.137 0.077 1 1 1186 . 9 1 1 A 92 92 LEU C C 92 177.661 177.362 0.299 1 1 1187 . 9 1 1 A 92 92 LEU CA C 92 55.550 56.766 -1.216 1 1 1188 . 9 1 1 A 92 92 LEU CB C 92 41.994 42.618 -0.624 1 1 1192 . 9 1 1 A 92 92 LEU N N 92 121.059 118.236 2.823 1 1 1193 . 9 1 1 A 93 93 GLU H H 93 8.132 7.621 0.511 1 1 1194 . 9 1 1 A 93 93 GLU HA H 93 4.099 4.321 -0.222 1 1 1199 . 9 1 1 A 93 93 GLU C C 93 176.461 175.867 0.594 1 1 1200 . 9 1 1 A 93 93 GLU CA C 93 56.838 55.743 1.095 1 1 1201 . 9 1 1 A 93 93 GLU CB C 93 29.803 30.533 -0.730 1 1 1203 . 9 1 1 A 93 93 GLU N N 93 119.896 117.321 2.575 1 1 1204 . 9 1 1 A 94 94 HIS H H 94 8.134 8.788 -0.654 1 1 1205 . 9 1 1 A 94 94 HIS C C 94 174.994 175.714 -0.720 1 1 1206 . 9 1 1 A 94 94 HIS CA C 94 56.075 56.175 -0.100 1 1 1207 . 9 1 1 A 94 94 HIS CB C 94 29.997 30.078 -0.081 1 1 1 . 10 1 1 A 2 2 ASP HA H 2 4.708 4.951 -0.243 1 1 4 . 10 1 1 A 2 2 ASP C C 2 176.847 176.238 0.609 1 1 5 . 10 1 1 A 2 2 ASP CA C 2 53.800 52.549 1.251 1 1 6 . 10 1 1 A 2 2 ASP CB C 2 40.922 39.901 1.021 1 1 7 . 10 1 1 A 3 3 GLN H H 3 9.117 8.626 0.491 1 1 8 . 10 1 1 A 3 3 GLN HA H 3 4.139 4.069 0.070 1 1 15 . 10 1 1 A 3 3 GLN C C 3 177.725 177.843 -0.118 1 1 16 . 10 1 1 A 3 3 GLN CA C 3 58.612 58.782 -0.170 1 1 17 . 10 1 1 A 3 3 GLN CB C 3 28.880 28.438 0.442 1 1 19 . 10 1 1 A 3 3 GLN N N 3 124.129 123.356 0.773 1 1 21 . 10 1 1 A 4 4 LEU H H 4 8.285 8.387 -0.102 1 1 22 . 10 1 1 A 4 4 LEU HA H 4 3.947 3.783 0.164 1 1 32 . 10 1 1 A 4 4 LEU C C 4 178.111 179.283 -1.172 1 1 33 . 10 1 1 A 4 4 LEU CA C 4 56.421 57.790 -1.369 1 1 34 . 10 1 1 A 4 4 LEU CB C 4 40.690 40.711 -0.021 1 1 38 . 10 1 1 A 4 4 LEU N N 4 117.977 120.146 -2.169 1 1 39 . 10 1 1 A 5 5 LYS H H 5 7.624 7.945 -0.321 1 1 40 . 10 1 1 A 5 5 LYS HA H 5 3.837 3.999 -0.162 1 1 49 . 10 1 1 A 5 5 LYS C C 5 178.775 179.142 -0.367 1 1 50 . 10 1 1 A 5 5 LYS CA C 5 59.939 59.394 0.545 1 1 51 . 10 1 1 A 5 5 LYS CB C 5 32.344 32.266 0.078 1 1 55 . 10 1 1 A 5 5 LYS N N 5 121.000 120.749 0.251 1 1 56 . 10 1 1 A 6 6 THR H H 6 7.852 8.115 -0.263 1 1 57 . 10 1 1 A 6 6 THR HA H 6 3.908 3.877 0.031 1 1 62 . 10 1 1 A 6 6 THR C C 6 176.483 176.396 0.087 1 1 63 . 10 1 1 A 6 6 THR CA C 6 66.062 66.948 -0.886 1 1 64 . 10 1 1 A 6 6 THR CB C 6 68.255 68.345 -0.090 1 1 66 . 10 1 1 A 6 6 THR N N 6 115.606 116.231 -0.625 1 1 67 . 10 1 1 A 7 7 ILE H H 7 7.791 8.204 -0.413 1 1 68 . 10 1 1 A 7 7 ILE HA H 7 3.422 3.538 -0.116 1 1 78 . 10 1 1 A 7 7 ILE C C 7 177.219 177.690 -0.471 1 1 79 . 10 1 1 A 7 7 ILE CA C 7 65.799 64.716 1.083 1 1 80 . 10 1 1 A 7 7 ILE CB C 7 37.619 37.230 0.389 1 1 84 . 10 1 1 A 7 7 ILE N N 7 122.292 121.640 0.652 1 1 85 . 10 1 1 A 8 8 LYS H H 8 8.233 8.050 0.183 1 1 86 . 10 1 1 A 8 8 LYS HA H 8 3.721 3.798 -0.077 1 1 95 . 10 1 1 A 8 8 LYS C C 8 179.054 179.932 -0.878 1 1 96 . 10 1 1 A 8 8 LYS CA C 8 60.378 60.449 -0.071 1 1 97 . 10 1 1 A 8 8 LYS CB C 8 31.990 31.945 0.045 1 1 101 . 10 1 1 A 8 8 LYS N N 8 119.853 118.337 1.516 1 1 102 . 10 1 1 A 9 9 GLU H H 9 7.677 8.368 -0.691 1 1 103 . 10 1 1 A 9 9 GLU HA H 9 4.138 4.011 0.127 1 1 108 . 10 1 1 A 9 9 GLU C C 9 178.839 179.341 -0.502 1 1 109 . 10 1 1 A 9 9 GLU CA C 9 59.045 58.988 0.057 1 1 110 . 10 1 1 A 9 9 GLU CB C 9 28.877 29.360 -0.483 1 1 112 . 10 1 1 A 9 9 GLU N N 9 118.933 120.617 -1.684 1 1 113 . 10 1 1 A 10 10 LEU H H 10 7.996 8.387 -0.391 1 1 114 . 10 1 1 A 10 10 LEU HA H 10 4.027 3.998 0.029 1 1 124 . 10 1 1 A 10 10 LEU C C 10 179.717 179.388 0.329 1 1 125 . 10 1 1 A 10 10 LEU CA C 10 58.212 58.037 0.175 1 1 126 . 10 1 1 A 10 10 LEU CB C 10 41.994 41.948 0.046 1 1 130 . 10 1 1 A 10 10 LEU N N 10 120.361 120.626 -0.265 1 1 131 . 10 1 1 A 11 11 ILE H H 11 8.059 8.137 -0.078 1 1 132 . 10 1 1 A 11 11 ILE HA H 11 3.233 3.509 -0.276 1 1 142 . 10 1 1 A 11 11 ILE C C 11 179.525 178.304 1.221 1 1 143 . 10 1 1 A 11 11 ILE CA C 11 65.782 64.805 0.977 1 1 144 . 10 1 1 A 11 11 ILE CB C 11 37.620 37.233 0.387 1 1 148 . 10 1 1 A 11 11 ILE N N 11 118.455 119.520 -1.065 1 1 149 . 10 1 1 A 12 12 ASN H H 12 8.219 8.636 -0.417 1 1 150 . 10 1 1 A 12 12 ASN HA H 12 4.355 4.447 -0.092 1 1 155 . 10 1 1 A 12 12 ASN C C 12 177.168 178.465 -1.297 1 1 156 . 10 1 1 A 12 12 ASN CA C 12 55.945 56.562 -0.617 1 1 157 . 10 1 1 A 12 12 ASN CB C 12 38.012 37.775 0.237 1 1 158 . 10 1 1 A 12 12 ASN N N 12 120.732 119.780 0.952 1 1 160 . 10 1 1 A 13 13 GLN H H 13 8.028 7.720 0.308 1 1 161 . 10 1 1 A 13 13 GLN HA H 13 4.295 4.137 0.158 1 1 168 . 10 1 1 A 13 13 GLN C C 13 176.418 175.895 0.523 1 1 169 . 10 1 1 A 13 13 GLN CA C 13 55.821 56.735 -0.914 1 1 170 . 10 1 1 A 13 13 GLN CB C 13 28.852 28.997 -0.145 1 1 172 . 10 1 1 A 13 13 GLN N N 13 116.080 115.829 0.251 1 1 174 . 10 1 1 A 14 14 GLY H H 14 7.853 8.311 -0.458 1 1 175 . 10 1 1 A 14 14 GLY HA2 H 14 4.337 4.031 0.306 1 1 176 . 10 1 1 A 14 14 GLY HA3 H 14 3.511 4.039 -0.528 1 1 177 . 10 1 1 A 14 14 GLY C C 14 174.233 173.893 0.340 1 1 178 . 10 1 1 A 14 14 GLY CA C 14 45.063 44.934 0.129 1 1 179 . 10 1 1 A 14 14 GLY N N 14 107.118 106.766 0.352 1 1 180 . 10 1 1 A 15 15 ASP H H 15 8.325 8.229 0.096 1 1 181 . 10 1 1 A 15 15 ASP HA H 15 4.973 4.603 0.370 1 1 184 . 10 1 1 A 15 15 ASP C C 15 176.427 176.588 -0.161 1 1 185 . 10 1 1 A 15 15 ASP CA C 15 51.828 52.489 -0.661 1 1 186 . 10 1 1 A 15 15 ASP CB C 15 38.583 39.042 -0.459 1 1 187 . 10 1 1 A 15 15 ASP N N 15 125.524 120.750 4.774 1 1 188 . 10 1 1 A 16 16 ILE H H 16 7.615 7.852 -0.237 1 1 189 . 10 1 1 A 16 16 ILE HA H 16 3.353 3.623 -0.270 1 1 199 . 10 1 1 A 16 16 ILE C C 16 177.618 177.515 0.103 1 1 200 . 10 1 1 A 16 16 ILE CA C 16 62.996 65.312 -2.316 1 1 201 . 10 1 1 A 16 16 ILE CB C 16 35.856 37.730 -1.874 1 1 205 . 10 1 1 A 16 16 ILE N N 16 119.875 124.814 -4.939 1 1 206 . 10 1 1 A 17 17 GLU H H 17 8.844 7.986 0.858 1 1 207 . 10 1 1 A 17 17 GLU HA H 17 3.887 3.865 0.022 1 1 212 . 10 1 1 A 17 17 GLU C C 17 179.739 179.640 0.099 1 1 213 . 10 1 1 A 17 17 GLU CA C 17 60.364 59.645 0.719 1 1 214 . 10 1 1 A 17 17 GLU CB C 17 28.670 29.299 -0.629 1 1 216 . 10 1 1 A 17 17 GLU N N 17 120.080 119.145 0.935 1 1 217 . 10 1 1 A 18 18 ASN H H 18 7.768 7.927 -0.159 1 1 218 . 10 1 1 A 18 18 ASN HA H 18 4.535 4.427 0.108 1 1 223 . 10 1 1 A 18 18 ASN C C 18 178.197 177.683 0.514 1 1 224 . 10 1 1 A 18 18 ASN CA C 18 55.682 56.585 -0.903 1 1 225 . 10 1 1 A 18 18 ASN CB C 18 37.615 38.349 -0.734 1 1 226 . 10 1 1 A 18 18 ASN N N 18 116.056 118.401 -2.345 1 1 228 . 10 1 1 A 19 19 ALA H H 19 7.989 7.755 0.234 1 1 229 . 10 1 1 A 19 19 ALA HA H 19 3.870 4.044 -0.174 1 1 233 . 10 1 1 A 19 19 ALA C C 19 178.732 179.920 -1.188 1 1 234 . 10 1 1 A 19 19 ALA CA C 19 55.543 55.008 0.535 1 1 235 . 10 1 1 A 19 19 ALA CB C 19 18.362 18.195 0.167 1 1 236 . 10 1 1 A 19 19 ALA N N 19 123.900 123.341 0.559 1 1 237 . 10 1 1 A 20 20 LEU H H 20 8.589 8.585 0.004 1 1 238 . 10 1 1 A 20 20 LEU HA H 20 3.856 3.757 0.099 1 1 248 . 10 1 1 A 20 20 LEU C C 20 179.139 178.869 0.270 1 1 249 . 10 1 1 A 20 20 LEU CA C 20 58.169 58.111 0.058 1 1 250 . 10 1 1 A 20 20 LEU CB C 20 41.569 41.472 0.097 1 1 254 . 10 1 1 A 20 20 LEU N N 20 117.052 118.880 -1.828 1 1 255 . 10 1 1 A 21 21 GLN H H 21 7.439 8.187 -0.748 1 1 256 . 10 1 1 A 21 21 GLN HA H 21 4.029 3.991 0.038 1 1 263 . 10 1 1 A 21 21 GLN C C 21 178.411 177.917 0.494 1 1 264 . 10 1 1 A 21 21 GLN CA C 21 58.730 58.485 0.245 1 1 265 . 10 1 1 A 21 21 GLN CB C 21 28.002 28.025 -0.023 1 1 267 . 10 1 1 A 21 21 GLN N N 21 118.218 117.110 1.108 1 1 269 . 10 1 1 A 22 22 ALA H H 22 7.848 7.715 0.133 1 1 270 . 10 1 1 A 22 22 ALA HA H 22 4.191 4.099 0.092 1 1 274 . 10 1 1 A 22 22 ALA C C 22 181.475 180.264 1.211 1 1 275 . 10 1 1 A 22 22 ALA CA C 22 54.631 55.016 -0.385 1 1 276 . 10 1 1 A 22 22 ALA CB C 22 17.907 18.588 -0.681 1 1 277 . 10 1 1 A 22 22 ALA N N 22 121.474 122.090 -0.616 1 1 278 . 10 1 1 A 23 23 LEU H H 23 8.751 8.307 0.444 1 1 279 . 10 1 1 A 23 23 LEU HA H 23 3.906 3.948 -0.042 1 1 289 . 10 1 1 A 23 23 LEU C C 23 177.996 179.069 -1.073 1 1 290 . 10 1 1 A 23 23 LEU CA C 23 58.155 57.943 0.212 1 1 291 . 10 1 1 A 23 23 LEU CB C 23 42.020 41.376 0.644 1 1 295 . 10 1 1 A 23 23 LEU N N 23 122.246 120.383 1.863 1 1 296 . 10 1 1 A 24 24 GLU H H 24 8.247 8.520 -0.273 1 1 297 . 10 1 1 A 24 24 GLU HA H 24 3.971 3.912 0.059 1 1 302 . 10 1 1 A 24 24 GLU C C 24 179.751 179.570 0.181 1 1 303 . 10 1 1 A 24 24 GLU CA C 24 59.506 59.722 -0.216 1 1 304 . 10 1 1 A 24 24 GLU CB C 24 28.849 29.188 -0.339 1 1 306 . 10 1 1 A 24 24 GLU N N 24 119.875 117.684 2.191 1 1 307 . 10 1 1 A 25 25 GLU H H 25 7.736 7.767 -0.031 1 1 308 . 10 1 1 A 25 25 GLU HA H 25 4.013 4.076 -0.063 1 1 313 . 10 1 1 A 25 25 GLU C C 25 179.204 178.914 0.290 1 1 314 . 10 1 1 A 25 25 GLU CA C 25 59.058 58.921 0.137 1 1 315 . 10 1 1 A 25 25 GLU CB C 25 29.238 29.530 -0.292 1 1 317 . 10 1 1 A 25 25 GLU N N 25 118.451 120.406 -1.955 1 1 318 . 10 1 1 A 26 26 PHE H H 26 8.389 8.057 0.332 1 1 319 . 10 1 1 A 26 26 PHE HA H 26 4.218 4.114 0.104 1 1 327 . 10 1 1 A 26 26 PHE C C 26 178.732 176.932 1.800 1 1 328 . 10 1 1 A 26 26 PHE CA C 26 61.020 61.437 -0.417 1 1 329 . 10 1 1 A 26 26 PHE CB C 26 39.383 39.166 0.217 1 1 333 . 10 1 1 A 26 26 PHE N N 26 122.243 122.144 0.099 1 1 334 . 10 1 1 A 27 27 LEU H H 27 8.643 8.627 0.016 1 1 335 . 10 1 1 A 27 27 LEU HA H 27 3.666 3.994 -0.328 1 1 345 . 10 1 1 A 27 27 LEU C C 27 179.172 179.594 -0.422 1 1 346 . 10 1 1 A 27 27 LEU CA C 27 57.728 57.862 -0.134 1 1 347 . 10 1 1 A 27 27 LEU CB C 27 42.008 41.351 0.657 1 1 351 . 10 1 1 A 27 27 LEU N N 27 119.374 118.899 0.475 1 1 352 . 10 1 1 A 28 28 GLN H H 28 7.536 7.616 -0.080 1 1 353 . 10 1 1 A 28 28 GLN HA H 28 4.215 4.165 0.050 1 1 360 . 10 1 1 A 28 28 GLN C C 28 177.261 178.056 -0.795 1 1 361 . 10 1 1 A 28 28 GLN CA C 28 57.287 58.140 -0.853 1 1 362 . 10 1 1 A 28 28 GLN CB C 28 28.832 28.930 -0.098 1 1 364 . 10 1 1 A 28 28 GLN N N 28 116.095 117.353 -1.258 1 1 366 . 10 1 1 A 29 29 THR H H 29 7.480 7.677 -0.197 1 1 367 . 10 1 1 A 29 29 THR HA H 29 4.332 4.089 0.243 1 1 372 . 10 1 1 A 29 29 THR C C 29 174.092 174.315 -0.223 1 1 373 . 10 1 1 A 29 29 THR CA C 29 62.533 63.818 -1.285 1 1 374 . 10 1 1 A 29 29 THR CB C 29 70.435 69.576 0.859 1 1 376 . 10 1 1 A 29 29 THR N N 29 108.609 115.288 -6.679 1 1 377 . 10 1 1 A 30 30 GLU H H 30 7.935 7.558 0.377 1 1 378 . 10 1 1 A 30 30 GLU HA H 30 4.221 4.627 -0.406 1 1 383 . 10 1 1 A 30 30 GLU CA C 30 54.719 53.658 1.061 1 1 384 . 10 1 1 A 30 30 GLU CB C 30 28.002 30.009 -2.007 1 1 386 . 10 1 1 A 30 30 GLU N N 30 119.400 116.538 2.862 1 1 387 . 10 1 1 A 31 31 PRO HA H 31 4.430 4.458 -0.028 1 1 394 . 10 1 1 A 31 31 PRO C C 31 177.447 177.530 -0.083 1 1 395 . 10 1 1 A 31 31 PRO CA C 31 62.992 63.981 -0.989 1 1 396 . 10 1 1 A 31 31 PRO CB C 31 32.354 31.929 0.425 1 1 399 . 10 1 1 A 32 32 VAL H H 32 7.989 7.849 0.140 1 1 400 . 10 1 1 A 32 32 VAL HA H 32 4.211 3.913 0.298 1 1 408 . 10 1 1 A 32 32 VAL C C 32 176.778 176.937 -0.159 1 1 409 . 10 1 1 A 32 32 VAL CA C 32 62.755 64.594 -1.839 1 1 410 . 10 1 1 A 32 32 VAL CB C 32 32.697 31.470 1.227 1 1 412 . 10 1 1 A 32 32 VAL N N 32 118.439 117.991 0.448 1 1 413 . 10 1 1 A 33 33 GLY H H 33 8.764 7.507 1.257 1 1 414 . 10 1 1 A 33 33 GLY HA2 H 33 4.195 4.249 -0.054 1 1 415 . 10 1 1 A 33 33 GLY HA3 H 33 4.195 4.414 -0.219 1 1 416 . 10 1 1 A 33 33 GLY C C 33 176.287 175.299 0.988 1 1 417 . 10 1 1 A 33 33 GLY CA C 33 45.917 45.818 0.099 1 1 418 . 10 1 1 A 33 33 GLY N N 33 111.588 108.877 2.711 1 1 419 . 10 1 1 A 34 34 LYS H H 34 8.296 7.495 0.801 1 1 420 . 10 1 1 A 34 34 LYS HA H 34 3.839 4.236 -0.397 1 1 429 . 10 1 1 A 34 34 LYS C C 34 177.040 179.408 -2.368 1 1 430 . 10 1 1 A 34 34 LYS CA C 34 59.883 59.663 0.220 1 1 431 . 10 1 1 A 34 34 LYS CB C 34 32.883 32.042 0.841 1 1 435 . 10 1 1 A 34 34 LYS N N 34 119.887 119.591 0.296 1 1 436 . 10 1 1 A 35 35 ASP H H 35 9.065 8.667 0.398 1 1 437 . 10 1 1 A 35 35 ASP HA H 35 4.362 4.510 -0.148 1 1 440 . 10 1 1 A 35 35 ASP C C 35 177.018 178.485 -1.467 1 1 441 . 10 1 1 A 35 35 ASP CA C 35 57.636 57.285 0.351 1 1 442 . 10 1 1 A 35 35 ASP CB C 35 41.086 40.029 1.057 1 1 443 . 10 1 1 A 35 35 ASP N N 35 115.065 118.687 -3.622 1 1 444 . 10 1 1 A 36 36 GLU H H 36 7.474 8.338 -0.864 1 1 445 . 10 1 1 A 36 36 GLU HA H 36 4.275 4.056 0.219 1 1 450 . 10 1 1 A 36 36 GLU C C 36 178.261 178.529 -0.268 1 1 451 . 10 1 1 A 36 36 GLU CA C 36 59.046 59.674 -0.628 1 1 452 . 10 1 1 A 36 36 GLU CB C 36 29.283 29.265 0.018 1 1 454 . 10 1 1 A 36 36 GLU N N 36 121.291 120.182 1.109 1 1 455 . 10 1 1 A 37 37 ALA H H 37 7.674 7.793 -0.119 1 1 456 . 10 1 1 A 37 37 ALA HA H 37 3.887 3.995 -0.108 1 1 460 . 10 1 1 A 37 37 ALA C C 37 179.161 179.780 -0.619 1 1 461 . 10 1 1 A 37 37 ALA CA C 37 55.091 55.080 0.011 1 1 462 . 10 1 1 A 37 37 ALA CB C 37 17.925 18.258 -0.333 1 1 463 . 10 1 1 A 37 37 ALA N N 37 120.365 122.173 -1.808 1 1 464 . 10 1 1 A 38 38 TYR H H 38 8.175 8.817 -0.642 1 1 465 . 10 1 1 A 38 38 TYR HA H 38 4.422 4.343 0.079 1 1 472 . 10 1 1 A 38 38 TYR C C 38 178.497 178.317 0.180 1 1 473 . 10 1 1 A 38 38 TYR CA C 38 62.662 60.907 1.755 1 1 474 . 10 1 1 A 38 38 TYR CB C 38 37.996 37.697 0.299 1 1 477 . 10 1 1 A 38 38 TYR N N 38 117.027 116.249 0.778 1 1 478 . 10 1 1 A 39 39 TYR H H 39 8.321 8.094 0.227 1 1 479 . 10 1 1 A 39 39 TYR HA H 39 4.413 4.397 0.016 1 1 486 . 10 1 1 A 39 39 TYR C C 39 176.311 177.108 -0.797 1 1 487 . 10 1 1 A 39 39 TYR CA C 39 60.856 61.779 -0.923 1 1 488 . 10 1 1 A 39 39 TYR CB C 39 38.015 38.879 -0.864 1 1 491 . 10 1 1 A 39 39 TYR N N 39 120.527 120.988 -0.461 1 1 492 . 10 1 1 A 40 40 LEU H H 40 8.508 8.337 0.171 1 1 493 . 10 1 1 A 40 40 LEU HA H 40 3.585 3.974 -0.389 1 1 503 . 10 1 1 A 40 40 LEU C C 40 178.857 179.375 -0.518 1 1 504 . 10 1 1 A 40 40 LEU CA C 40 57.723 57.747 -0.024 1 1 505 . 10 1 1 A 40 40 LEU CB C 40 41.543 41.241 0.302 1 1 509 . 10 1 1 A 40 40 LEU N N 40 118.925 120.747 -1.822 1 1 510 . 10 1 1 A 41 41 MET H H 41 8.661 8.650 0.011 1 1 511 . 10 1 1 A 41 41 MET HA H 41 3.611 4.001 -0.390 1 1 519 . 10 1 1 A 41 41 MET C C 41 178.325 179.049 -0.724 1 1 520 . 10 1 1 A 41 41 MET CA C 41 59.498 59.133 0.365 1 1 521 . 10 1 1 A 41 41 MET CB C 41 32.806 32.639 0.167 1 1 524 . 10 1 1 A 41 41 MET N N 41 119.892 117.589 2.303 1 1 525 . 10 1 1 A 42 42 GLY H H 42 8.531 8.504 0.027 1 1 526 . 10 1 1 A 42 42 GLY HA2 H 42 3.564 3.071 0.493 1 1 527 . 10 1 1 A 42 42 GLY HA3 H 42 3.164 3.696 -0.532 1 1 528 . 10 1 1 A 42 42 GLY C C 42 174.726 175.372 -0.646 1 1 529 . 10 1 1 A 42 42 GLY CA C 42 48.104 47.007 1.097 1 1 530 . 10 1 1 A 42 42 GLY N N 42 107.064 108.586 -1.522 1 1 531 . 10 1 1 A 43 43 ASN H H 43 8.260 8.080 0.180 1 1 532 . 10 1 1 A 43 43 ASN HA H 43 4.334 4.619 -0.285 1 1 537 . 10 1 1 A 43 43 ASN C C 43 178.111 177.634 0.477 1 1 538 . 10 1 1 A 43 43 ASN CA C 43 54.966 56.190 -1.224 1 1 539 . 10 1 1 A 43 43 ASN CB C 43 36.326 38.898 -2.572 1 1 540 . 10 1 1 A 43 43 ASN N N 43 120.815 119.609 1.206 1 1 542 . 10 1 1 A 44 44 ALA H H 44 8.487 8.007 0.480 1 1 543 . 10 1 1 A 44 44 ALA HA H 44 3.788 3.966 -0.178 1 1 547 . 10 1 1 A 44 44 ALA C C 44 178.389 179.425 -1.036 1 1 548 . 10 1 1 A 44 44 ALA CA C 44 55.152 54.938 0.214 1 1 549 . 10 1 1 A 44 44 ALA CB C 44 16.897 17.887 -0.990 1 1 550 . 10 1 1 A 44 44 ALA N N 44 125.304 121.193 4.111 1 1 551 . 10 1 1 A 45 45 TYR H H 45 8.160 7.928 0.232 1 1 552 . 10 1 1 A 45 45 TYR HA H 45 4.168 4.265 -0.097 1 1 559 . 10 1 1 A 45 45 TYR C C 45 178.775 177.941 0.834 1 1 560 . 10 1 1 A 45 45 TYR CA C 45 62.995 61.645 1.350 1 1 561 . 10 1 1 A 45 45 TYR CB C 45 36.944 37.862 -0.918 1 1 564 . 10 1 1 A 45 45 TYR N N 45 115.156 115.894 -0.738 1 1 565 . 10 1 1 A 46 46 ARG H H 46 8.901 8.114 0.787 1 1 566 . 10 1 1 A 46 46 ARG HA H 46 3.677 3.712 -0.035 1 1 573 . 10 1 1 A 46 46 ARG C C 46 179.396 178.872 0.524 1 1 574 . 10 1 1 A 46 46 ARG CA C 46 59.924 59.432 0.492 1 1 575 . 10 1 1 A 46 46 ARG CB C 46 30.131 29.657 0.474 1 1 578 . 10 1 1 A 46 46 ARG N N 46 121.781 120.870 0.911 1 1 579 . 10 1 1 A 47 47 LYS H H 47 7.813 7.528 0.285 1 1 580 . 10 1 1 A 47 47 LYS HA H 47 4.058 4.087 -0.029 1 1 589 . 10 1 1 A 47 47 LYS C C 47 178.111 178.816 -0.705 1 1 590 . 10 1 1 A 47 47 LYS CA C 47 58.950 58.051 0.899 1 1 591 . 10 1 1 A 47 47 LYS CB C 47 31.906 32.588 -0.682 1 1 595 . 10 1 1 A 47 47 LYS N N 47 120.818 118.771 2.047 1 1 596 . 10 1 1 A 48 48 LEU H H 48 7.312 7.259 0.053 1 1 597 . 10 1 1 A 48 48 LEU HA H 48 4.228 4.069 0.159 1 1 607 . 10 1 1 A 48 48 LEU C C 48 177.254 177.080 0.174 1 1 608 . 10 1 1 A 48 48 LEU CA C 48 54.908 55.971 -1.063 1 1 609 . 10 1 1 A 48 48 LEU CB C 48 42.475 43.022 -0.547 1 1 613 . 10 1 1 A 48 48 LEU N N 48 116.553 118.059 -1.506 1 1 614 . 10 1 1 A 49 49 GLY H H 49 7.564 7.879 -0.315 1 1 615 . 10 1 1 A 49 49 GLY HA2 H 49 3.607 3.583 0.024 1 1 616 . 10 1 1 A 49 49 GLY HA3 H 49 2.316 3.842 -1.526 1 1 617 . 10 1 1 A 49 49 GLY C C 49 172.900 173.338 -0.438 1 1 618 . 10 1 1 A 49 49 GLY CA C 49 44.184 44.562 -0.378 1 1 619 . 10 1 1 A 49 49 GLY N N 49 107.326 105.656 1.670 1 1 620 . 10 1 1 A 50 50 ASP H H 50 7.670 7.678 -0.008 1 1 621 . 10 1 1 A 50 50 ASP HA H 50 4.564 4.680 -0.116 1 1 624 . 10 1 1 A 50 50 ASP C C 50 175.681 176.146 -0.465 1 1 625 . 10 1 1 A 50 50 ASP CA C 50 51.083 52.900 -1.817 1 1 626 . 10 1 1 A 50 50 ASP CB C 50 39.169 41.215 -2.046 1 1 627 . 10 1 1 A 50 50 ASP N N 50 120.356 119.781 0.575 1 1 628 . 10 1 1 A 51 51 TRP H H 51 6.939 8.373 -1.434 1 1 629 . 10 1 1 A 51 51 TRP HA H 51 4.314 4.505 -0.191 1 1 638 . 10 1 1 A 51 51 TRP C C 51 178.047 178.787 -0.740 1 1 639 . 10 1 1 A 51 51 TRP CA C 51 58.473 59.589 -1.116 1 1 640 . 10 1 1 A 51 51 TRP CB C 51 30.099 29.538 0.561 1 1 646 . 10 1 1 A 51 51 TRP N N 51 121.784 125.705 -3.921 1 1 648 . 10 1 1 A 52 52 GLN H H 52 8.677 8.185 0.492 1 1 649 . 10 1 1 A 52 52 GLN HA H 52 3.960 3.878 0.082 1 1 656 . 10 1 1 A 52 52 GLN C C 52 178.454 178.993 -0.539 1 1 657 . 10 1 1 A 52 52 GLN CA C 52 58.925 59.427 -0.502 1 1 658 . 10 1 1 A 52 52 GLN CB C 52 28.183 28.836 -0.653 1 1 660 . 10 1 1 A 52 52 GLN N N 52 117.018 119.520 -2.502 1 1 662 . 10 1 1 A 53 53 LYS H H 53 7.392 8.396 -1.004 1 1 663 . 10 1 1 A 53 53 LYS HA H 53 3.774 3.797 -0.023 1 1 672 . 10 1 1 A 53 53 LYS C C 53 180.361 178.722 1.639 1 1 673 . 10 1 1 A 53 53 LYS CA C 53 59.764 59.068 0.696 1 1 674 . 10 1 1 A 53 53 LYS CB C 53 30.802 31.702 -0.900 1 1 678 . 10 1 1 A 53 53 LYS N N 53 117.913 119.270 -1.357 1 1 679 . 10 1 1 A 54 54 ALA H H 54 8.223 7.495 0.728 1 1 680 . 10 1 1 A 54 54 ALA HA H 54 4.012 3.875 0.137 1 1 684 . 10 1 1 A 54 54 ALA C C 54 177.635 180.178 -2.543 1 1 685 . 10 1 1 A 54 54 ALA CA C 54 55.792 55.041 0.751 1 1 686 . 10 1 1 A 54 54 ALA CB C 54 17.045 18.162 -1.117 1 1 687 . 10 1 1 A 54 54 ALA N N 54 123.665 122.126 1.539 1 1 688 . 10 1 1 A 55 55 LEU H H 55 8.425 8.624 -0.199 1 1 689 . 10 1 1 A 55 55 LEU HA H 55 4.010 4.075 -0.065 1 1 699 . 10 1 1 A 55 55 LEU C C 55 179.568 179.404 0.164 1 1 700 . 10 1 1 A 55 55 LEU CA C 55 58.611 58.114 0.497 1 1 701 . 10 1 1 A 55 55 LEU CB C 55 41.500 41.622 -0.122 1 1 705 . 10 1 1 A 55 55 LEU N N 55 116.583 118.391 -1.808 1 1 706 . 10 1 1 A 56 56 ASN H H 56 8.284 7.968 0.316 1 1 707 . 10 1 1 A 56 56 ASN HA H 56 4.360 4.446 -0.086 1 1 712 . 10 1 1 A 56 56 ASN C C 56 177.790 178.470 -0.680 1 1 713 . 10 1 1 A 56 56 ASN CA C 56 55.852 55.937 -0.085 1 1 714 . 10 1 1 A 56 56 ASN CB C 56 37.882 38.051 -0.169 1 1 715 . 10 1 1 A 56 56 ASN N N 56 117.763 118.648 -0.885 1 1 717 . 10 1 1 A 57 57 ASN H H 57 7.600 7.812 -0.212 1 1 718 . 10 1 1 A 57 57 ASN HA H 57 4.425 4.533 -0.108 1 1 723 . 10 1 1 A 57 57 ASN C C 57 177.404 178.098 -0.694 1 1 724 . 10 1 1 A 57 57 ASN CA C 57 58.105 56.422 1.683 1 1 725 . 10 1 1 A 57 57 ASN CB C 57 38.931 38.291 0.640 1 1 726 . 10 1 1 A 57 57 ASN N N 57 118.927 118.056 0.871 1 1 728 . 10 1 1 A 58 58 TYR H H 58 8.838 8.322 0.516 1 1 729 . 10 1 1 A 58 58 TYR HA H 58 4.667 4.358 0.309 1 1 736 . 10 1 1 A 58 58 TYR C C 58 178.047 178.335 -0.288 1 1 737 . 10 1 1 A 58 58 TYR CA C 58 58.430 61.744 -3.314 1 1 738 . 10 1 1 A 58 58 TYR CB C 58 36.743 38.378 -1.635 1 1 741 . 10 1 1 A 58 58 TYR N N 58 118.473 119.164 -0.691 1 1 742 . 10 1 1 A 59 59 GLN H H 59 8.572 8.217 0.355 1 1 743 . 10 1 1 A 59 59 GLN HA H 59 4.022 3.942 0.080 1 1 750 . 10 1 1 A 59 59 GLN C C 59 178.040 178.297 -0.257 1 1 751 . 10 1 1 A 59 59 GLN CA C 59 59.054 58.924 0.130 1 1 752 . 10 1 1 A 59 59 GLN CB C 59 27.126 28.598 -1.472 1 1 754 . 10 1 1 A 59 59 GLN N N 59 118.483 120.742 -2.259 1 1 756 . 10 1 1 A 60 60 SER H H 60 7.696 7.975 -0.279 1 1 757 . 10 1 1 A 60 60 SER HA H 60 3.931 3.934 -0.003 1 1 760 . 10 1 1 A 60 60 SER C C 60 175.926 176.095 -0.169 1 1 761 . 10 1 1 A 60 60 SER CA C 60 62.121 61.490 0.631 1 1 762 . 10 1 1 A 60 60 SER CB C 60 61.244 62.330 -1.086 1 1 763 . 10 1 1 A 60 60 SER N N 60 116.103 117.003 -0.900 1 1 764 . 10 1 1 A 61 61 ALA H H 61 7.739 7.864 -0.125 1 1 765 . 10 1 1 A 61 61 ALA HA H 61 4.075 4.272 -0.197 1 1 769 . 10 1 1 A 61 61 ALA C C 61 178.686 179.945 -1.259 1 1 770 . 10 1 1 A 61 61 ALA CA C 61 56.019 55.102 0.917 1 1 771 . 10 1 1 A 61 61 ALA CB C 61 18.790 18.534 0.256 1 1 772 . 10 1 1 A 61 61 ALA N N 61 122.319 122.853 -0.534 1 1 773 . 10 1 1 A 62 62 ILE H H 62 7.991 8.182 -0.191 1 1 774 . 10 1 1 A 62 62 ILE HA H 62 3.857 3.688 0.169 1 1 784 . 10 1 1 A 62 62 ILE C C 62 178.131 178.072 0.059 1 1 785 . 10 1 1 A 62 62 ILE CA C 62 63.418 65.166 -1.748 1 1 786 . 10 1 1 A 62 62 ILE CB C 62 39.119 37.542 1.577 1 1 790 . 10 1 1 A 62 62 ILE N N 62 117.981 118.298 -0.317 1 1 791 . 10 1 1 A 63 63 GLU H H 63 7.988 8.051 -0.063 1 1 792 . 10 1 1 A 63 63 GLU HA H 63 3.902 4.080 -0.178 1 1 797 . 10 1 1 A 63 63 GLU C C 63 178.564 179.574 -1.010 1 1 798 . 10 1 1 A 63 63 GLU CA C 63 58.594 59.157 -0.563 1 1 799 . 10 1 1 A 63 63 GLU CB C 63 29.278 29.591 -0.313 1 1 801 . 10 1 1 A 63 63 GLU N N 63 118.190 120.055 -1.865 1 1 802 . 10 1 1 A 64 64 LEU H H 64 7.024 7.363 -0.339 1 1 803 . 10 1 1 A 64 64 LEU HA H 64 4.347 4.251 0.096 1 1 813 . 10 1 1 A 64 64 LEU C C 64 177.496 177.307 0.189 1 1 814 . 10 1 1 A 64 64 LEU CA C 64 55.810 56.357 -0.547 1 1 815 . 10 1 1 A 64 64 LEU CB C 64 43.746 43.553 0.193 1 1 819 . 10 1 1 A 64 64 LEU N N 64 116.109 119.255 -3.146 1 1 820 . 10 1 1 A 65 65 ASN H H 65 8.270 8.278 -0.008 1 1 821 . 10 1 1 A 65 65 ASN HA H 65 5.068 5.109 -0.041 1 1 826 . 10 1 1 A 65 65 ASN C C 65 172.512 173.715 -1.203 1 1 827 . 10 1 1 A 65 65 ASN CA C 65 49.457 50.163 -0.706 1 1 828 . 10 1 1 A 65 65 ASN CB C 65 38.936 39.561 -0.625 1 1 829 . 10 1 1 A 65 65 ASN N N 65 116.544 115.128 1.416 1 1 831 . 10 1 1 A 66 66 PRO HA H 66 4.467 4.504 -0.037 1 1 838 . 10 1 1 A 66 66 PRO C C 66 176.054 177.026 -0.972 1 1 839 . 10 1 1 A 66 66 PRO CA C 66 63.894 64.220 -0.326 1 1 840 . 10 1 1 A 66 66 PRO CB C 66 31.935 31.847 0.088 1 1 843 . 10 1 1 A 67 67 ASP H H 67 7.326 8.009 -0.683 1 1 844 . 10 1 1 A 67 67 ASP HA H 67 4.863 4.871 -0.008 1 1 847 . 10 1 1 A 67 67 ASP C C 67 175.647 175.509 0.138 1 1 848 . 10 1 1 A 67 67 ASP CA C 67 53.273 53.554 -0.281 1 1 849 . 10 1 1 A 67 67 ASP CB C 67 41.453 41.020 0.433 1 1 850 . 10 1 1 A 67 67 ASP N N 67 114.579 117.249 -2.670 1 1 851 . 10 1 1 A 68 68 SER H H 68 7.670 7.293 0.377 1 1 852 . 10 1 1 A 68 68 SER HA H 68 4.315 4.595 -0.280 1 1 856 . 10 1 1 A 68 68 SER C C 68 175.108 174.627 0.481 1 1 857 . 10 1 1 A 68 68 SER CA C 68 56.422 56.667 -0.245 1 1 858 . 10 1 1 A 68 68 SER CB C 68 63.880 63.349 0.531 1 1 859 . 10 1 1 A 68 68 SER N N 68 115.624 114.707 0.917 1 1 860 . 10 1 1 A 69 69 PRO HA H 69 4.588 4.522 0.066 1 1 867 . 10 1 1 A 69 69 PRO C C 69 177.083 177.482 -0.399 1 1 868 . 10 1 1 A 69 69 PRO CA C 69 63.870 64.030 -0.160 1 1 869 . 10 1 1 A 69 69 PRO CB C 69 30.612 31.730 -1.118 1 1 872 . 10 1 1 A 70 70 ALA H H 70 8.442 8.389 0.053 1 1 873 . 10 1 1 A 70 70 ALA HA H 70 3.679 4.110 -0.431 1 1 877 . 10 1 1 A 70 70 ALA C C 70 177.667 180.188 -2.521 1 1 878 . 10 1 1 A 70 70 ALA CA C 70 54.025 54.879 -0.854 1 1 879 . 10 1 1 A 70 70 ALA CB C 70 20.741 18.751 1.990 1 1 880 . 10 1 1 A 70 70 ALA N N 70 121.749 122.151 -0.402 1 1 881 . 10 1 1 A 71 71 LEU H H 71 7.956 7.666 0.290 1 1 882 . 10 1 1 A 71 71 LEU HA H 71 3.883 3.907 -0.024 1 1 892 . 10 1 1 A 71 71 LEU C C 71 179.241 179.306 -0.065 1 1 893 . 10 1 1 A 71 71 LEU CA C 71 58.602 58.142 0.460 1 1 894 . 10 1 1 A 71 71 LEU CB C 71 41.987 41.567 0.420 1 1 898 . 10 1 1 A 71 71 LEU N N 71 119.448 119.177 0.271 1 1 899 . 10 1 1 A 72 72 GLN H H 72 7.464 8.247 -0.783 1 1 900 . 10 1 1 A 72 72 GLN HA H 72 4.049 4.117 -0.068 1 1 907 . 10 1 1 A 72 72 GLN C C 72 178.432 178.455 -0.023 1 1 908 . 10 1 1 A 72 72 GLN CA C 72 58.626 58.827 -0.201 1 1 909 . 10 1 1 A 72 72 GLN CB C 72 27.557 28.285 -0.728 1 1 911 . 10 1 1 A 72 72 GLN N N 72 117.976 117.795 0.181 1 1 913 . 10 1 1 A 73 73 ALA H H 73 7.296 8.014 -0.718 1 1 914 . 10 1 1 A 73 73 ALA HA H 73 4.017 3.915 0.102 1 1 918 . 10 1 1 A 73 73 ALA C C 73 178.775 179.429 -0.654 1 1 919 . 10 1 1 A 73 73 ALA CA C 73 54.688 54.971 -0.283 1 1 920 . 10 1 1 A 73 73 ALA CB C 73 17.473 17.598 -0.125 1 1 921 . 10 1 1 A 73 73 ALA N N 73 123.083 122.698 0.385 1 1 922 . 10 1 1 A 74 74 ARG H H 74 8.328 7.926 0.402 1 1 923 . 10 1 1 A 74 74 ARG HA H 74 3.820 4.152 -0.332 1 1 931 . 10 1 1 A 74 74 ARG C C 74 177.297 178.231 -0.934 1 1 932 . 10 1 1 A 74 74 ARG CA C 74 59.805 58.603 1.202 1 1 933 . 10 1 1 A 74 74 ARG CB C 74 29.773 29.727 0.046 1 1 936 . 10 1 1 A 74 74 ARG N N 74 117.535 118.473 -0.938 1 1 938 . 10 1 1 A 75 75 LYS H H 75 7.123 8.112 -0.989 1 1 939 . 10 1 1 A 75 75 LYS HA H 75 3.960 4.094 -0.134 1 1 948 . 10 1 1 A 75 75 LYS C C 75 178.071 178.848 -0.777 1 1 949 . 10 1 1 A 75 75 LYS CA C 75 59.488 59.381 0.107 1 1 950 . 10 1 1 A 75 75 LYS CB C 75 31.928 32.111 -0.183 1 1 954 . 10 1 1 A 75 75 LYS N N 75 119.136 119.397 -0.261 1 1 955 . 10 1 1 A 76 76 MET H H 76 7.673 8.350 -0.677 1 1 956 . 10 1 1 A 76 76 MET HA H 76 4.205 4.106 0.099 1 1 964 . 10 1 1 A 76 76 MET C C 76 178.925 178.894 0.031 1 1 965 . 10 1 1 A 76 76 MET CA C 76 58.637 58.450 0.187 1 1 966 . 10 1 1 A 76 76 MET CB C 76 32.344 32.523 -0.179 1 1 969 . 10 1 1 A 76 76 MET N N 76 116.794 118.891 -2.097 1 1 970 . 10 1 1 A 77 77 VAL H H 77 7.928 7.953 -0.025 1 1 971 . 10 1 1 A 77 77 VAL HA H 77 3.601 3.470 0.131 1 1 979 . 10 1 1 A 77 77 VAL C C 77 177.318 177.728 -0.410 1 1 980 . 10 1 1 A 77 77 VAL CA C 77 66.468 66.719 -0.251 1 1 981 . 10 1 1 A 77 77 VAL CB C 77 31.477 31.859 -0.382 1 1 984 . 10 1 1 A 77 77 VAL N N 77 117.999 121.094 -3.095 1 1 985 . 10 1 1 A 78 78 MET H H 78 8.446 8.109 0.337 1 1 986 . 10 1 1 A 78 78 MET HA H 78 4.136 4.238 -0.102 1 1 994 . 10 1 1 A 78 78 MET C C 78 178.542 178.151 0.391 1 1 995 . 10 1 1 A 78 78 MET CA C 78 58.514 58.843 -0.329 1 1 996 . 10 1 1 A 78 78 MET CB C 78 31.036 32.730 -1.694 1 1 999 . 10 1 1 A 78 78 MET N N 78 119.079 117.499 1.580 1 1 1000 . 10 1 1 A 79 79 ASP H H 79 8.202 8.121 0.081 1 1 1001 . 10 1 1 A 79 79 ASP HA H 79 4.419 4.265 0.154 1 1 1004 . 10 1 1 A 79 79 ASP C C 79 179.097 178.598 0.499 1 1 1005 . 10 1 1 A 79 79 ASP CA C 79 57.277 57.572 -0.295 1 1 1006 . 10 1 1 A 79 79 ASP CB C 79 39.813 41.430 -1.617 1 1 1007 . 10 1 1 A 79 79 ASP N N 79 119.422 120.119 -0.697 1 1 1008 . 10 1 1 A 80 80 ILE H H 80 7.625 7.755 -0.130 1 1 1009 . 10 1 1 A 80 80 ILE HA H 80 3.643 3.401 0.242 1 1 1019 . 10 1 1 A 80 80 ILE C C 80 178.024 178.314 -0.290 1 1 1020 . 10 1 1 A 80 80 ILE CA C 80 64.717 64.819 -0.102 1 1 1021 . 10 1 1 A 80 80 ILE CB C 80 37.661 37.465 0.196 1 1 1025 . 10 1 1 A 80 80 ILE N N 80 121.750 119.475 2.275 1 1 1026 . 10 1 1 A 81 81 LEU H H 81 8.071 8.247 -0.176 1 1 1027 . 10 1 1 A 81 81 LEU HA H 81 3.908 3.906 0.002 1 1 1037 . 10 1 1 A 81 81 LEU C C 81 178.852 178.689 0.163 1 1 1038 . 10 1 1 A 81 81 LEU CA C 81 57.329 57.981 -0.652 1 1 1039 . 10 1 1 A 81 81 LEU CB C 81 41.544 40.987 0.557 1 1 1043 . 10 1 1 A 81 81 LEU N N 81 119.850 119.398 0.452 1 1 1044 . 10 1 1 A 82 82 ASN H H 82 8.188 8.100 0.088 1 1 1045 . 10 1 1 A 82 82 ASN HA H 82 4.417 3.769 0.648 1 1 1050 . 10 1 1 A 82 82 ASN C C 82 176.440 177.297 -0.857 1 1 1051 . 10 1 1 A 82 82 ASN CA C 82 55.011 55.972 -0.961 1 1 1052 . 10 1 1 A 82 82 ASN CB C 82 38.461 38.556 -0.095 1 1 1053 . 10 1 1 A 82 82 ASN N N 82 116.186 117.207 -1.021 1 1 1055 . 10 1 1 A 83 83 PHE H H 83 7.779 7.831 -0.052 1 1 1056 . 10 1 1 A 83 83 PHE HA H 83 4.352 4.045 0.307 1 1 1064 . 10 1 1 A 83 83 PHE C C 83 176.767 176.986 -0.219 1 1 1065 . 10 1 1 A 83 83 PHE CA C 83 59.557 61.117 -1.560 1 1 1066 . 10 1 1 A 83 83 PHE CB C 83 38.944 38.565 0.379 1 1 1070 . 10 1 1 A 83 83 PHE N N 83 118.925 119.733 -0.808 1 1 1071 . 10 1 1 A 84 84 TYR H H 84 8.057 7.640 0.417 1 1 1072 . 10 1 1 A 84 84 TYR HA H 84 4.388 4.344 0.044 1 1 1079 . 10 1 1 A 84 84 TYR C C 84 176.233 176.101 0.132 1 1 1080 . 10 1 1 A 84 84 TYR CA C 84 59.261 60.339 -1.078 1 1 1081 . 10 1 1 A 84 84 TYR CB C 84 38.503 38.839 -0.336 1 1 1084 . 10 1 1 A 84 84 TYR N N 84 118.223 116.610 1.613 1 1 1085 . 10 1 1 A 85 85 ASN H H 85 8.192 8.066 0.126 1 1 1086 . 10 1 1 A 85 85 ASN HA H 85 4.679 5.015 -0.336 1 1 1091 . 10 1 1 A 85 85 ASN C C 85 175.367 175.424 -0.057 1 1 1092 . 10 1 1 A 85 85 ASN CA C 85 53.261 52.235 1.026 1 1 1093 . 10 1 1 A 85 85 ASN CB C 85 38.501 40.592 -2.091 1 1 1094 . 10 1 1 A 85 85 ASN N N 85 118.935 112.427 6.508 1 1 1096 . 10 1 1 A 86 86 LYS H H 86 8.151 8.587 -0.436 1 1 1097 . 10 1 1 A 86 86 LYS HA H 86 4.151 4.624 -0.473 1 1 1106 . 10 1 1 A 86 86 LYS C C 86 176.981 177.807 -0.826 1 1 1107 . 10 1 1 A 86 86 LYS CA C 86 57.714 56.907 0.807 1 1 1108 . 10 1 1 A 86 86 LYS CB C 86 32.368 34.565 -2.197 1 1 1112 . 10 1 1 A 86 86 LYS N N 86 121.533 120.116 1.417 1 1 1113 . 10 1 1 A 87 87 ASP H H 87 8.269 8.505 -0.236 1 1 1114 . 10 1 1 A 87 87 ASP HA H 87 4.553 4.337 0.216 1 1 1117 . 10 1 1 A 87 87 ASP C C 87 177.209 177.877 -0.668 1 1 1118 . 10 1 1 A 87 87 ASP CA C 87 55.538 56.803 -1.265 1 1 1119 . 10 1 1 A 87 87 ASP CB C 87 40.677 39.708 0.969 1 1 1120 . 10 1 1 A 87 87 ASP N N 87 119.408 117.809 1.599 1 1 1121 . 10 1 1 A 88 88 MET H H 88 7.941 7.531 0.410 1 1 1122 . 10 1 1 A 88 88 MET HA H 88 4.257 4.619 -0.362 1 1 1130 . 10 1 1 A 88 88 MET C C 88 176.851 177.857 -1.006 1 1 1131 . 10 1 1 A 88 88 MET CA C 88 56.461 57.803 -1.342 1 1 1132 . 10 1 1 A 88 88 MET CB C 88 32.371 33.298 -0.927 1 1 1135 . 10 1 1 A 88 88 MET N N 88 119.377 119.263 0.114 1 1 1136 . 10 1 1 A 89 89 TYR H H 89 8.094 7.874 0.220 1 1 1137 . 10 1 1 A 89 89 TYR HA H 89 4.350 4.125 0.225 1 1 1144 . 10 1 1 A 89 89 TYR C C 89 176.252 178.130 -1.878 1 1 1145 . 10 1 1 A 89 89 TYR CA C 89 59.097 61.666 -2.569 1 1 1146 . 10 1 1 A 89 89 TYR CB C 89 38.051 38.682 -0.631 1 1 1149 . 10 1 1 A 89 89 TYR N N 89 119.418 121.172 -1.754 1 1 1150 . 10 1 1 A 90 90 ASN H H 90 8.244 8.852 -0.608 1 1 1151 . 10 1 1 A 90 90 ASN HA H 90 4.573 4.204 0.369 1 1 1156 . 10 1 1 A 90 90 ASN C C 90 175.907 177.527 -1.620 1 1 1157 . 10 1 1 A 90 90 ASN CA C 90 53.867 56.239 -2.372 1 1 1158 . 10 1 1 A 90 90 ASN CB C 90 38.479 38.520 -0.041 1 1 1159 . 10 1 1 A 90 90 ASN N N 90 118.918 117.398 1.520 1 1 1161 . 10 1 1 A 91 91 GLN H H 91 8.176 8.041 0.135 1 1 1162 . 10 1 1 A 91 91 GLN HA H 91 4.216 4.005 0.211 1 1 1169 . 10 1 1 A 91 91 GLN C C 91 176.568 177.760 -1.192 1 1 1170 . 10 1 1 A 91 91 GLN CA C 91 56.600 58.550 -1.950 1 1 1171 . 10 1 1 A 91 91 GLN CB C 91 28.859 28.870 -0.011 1 1 1173 . 10 1 1 A 91 91 GLN N N 91 119.648 118.972 0.676 1 1 1175 . 10 1 1 A 92 92 LEU H H 92 8.015 7.402 0.613 1 1 1176 . 10 1 1 A 92 92 LEU HA H 92 4.214 4.123 0.091 1 1 1186 . 10 1 1 A 92 92 LEU C C 92 177.661 177.526 0.135 1 1 1187 . 10 1 1 A 92 92 LEU CA C 92 55.550 56.648 -1.098 1 1 1188 . 10 1 1 A 92 92 LEU CB C 92 41.994 41.778 0.216 1 1 1192 . 10 1 1 A 92 92 LEU N N 92 121.059 118.424 2.635 1 1 1193 . 10 1 1 A 93 93 GLU H H 93 8.132 7.481 0.651 1 1 1194 . 10 1 1 A 93 93 GLU HA H 93 4.099 4.336 -0.237 1 1 1199 . 10 1 1 A 93 93 GLU C C 93 176.461 174.412 2.049 1 1 1200 . 10 1 1 A 93 93 GLU CA C 93 56.838 55.428 1.410 1 1 1201 . 10 1 1 A 93 93 GLU CB C 93 29.803 29.144 0.659 1 1 1203 . 10 1 1 A 93 93 GLU N N 93 119.896 119.523 0.373 1 1 1204 . 10 1 1 A 94 94 HIS H H 94 8.134 8.487 -0.353 1 1 1205 . 10 1 1 A 94 94 HIS C C 94 174.994 174.788 0.206 1 1 1206 . 10 1 1 A 94 94 HIS CA C 94 56.075 54.725 1.350 1 1 1207 . 10 1 1 A 94 94 HIS CB C 94 29.997 30.985 -0.988 1 1 1 . 11 1 1 A 2 2 ASP HA H 2 4.708 4.904 -0.196 1 1 4 . 11 1 1 A 2 2 ASP C C 2 176.847 176.568 0.279 1 1 5 . 11 1 1 A 2 2 ASP CA C 2 53.800 54.107 -0.307 1 1 6 . 11 1 1 A 2 2 ASP CB C 2 40.922 41.726 -0.804 1 1 7 . 11 1 1 A 3 3 GLN H H 3 9.117 7.984 1.133 1 1 8 . 11 1 1 A 3 3 GLN HA H 3 4.139 3.928 0.211 1 1 15 . 11 1 1 A 3 3 GLN C C 3 177.725 178.248 -0.523 1 1 16 . 11 1 1 A 3 3 GLN CA C 3 58.612 58.793 -0.181 1 1 17 . 11 1 1 A 3 3 GLN CB C 3 28.880 28.409 0.471 1 1 19 . 11 1 1 A 3 3 GLN N N 3 124.129 120.898 3.231 1 1 21 . 11 1 1 A 4 4 LEU H H 4 8.285 8.093 0.192 1 1 22 . 11 1 1 A 4 4 LEU HA H 4 3.947 3.665 0.282 1 1 32 . 11 1 1 A 4 4 LEU C C 4 178.111 179.100 -0.989 1 1 33 . 11 1 1 A 4 4 LEU CA C 4 56.421 57.680 -1.259 1 1 34 . 11 1 1 A 4 4 LEU CB C 4 40.690 41.232 -0.542 1 1 38 . 11 1 1 A 4 4 LEU N N 4 117.977 119.559 -1.582 1 1 39 . 11 1 1 A 5 5 LYS H H 5 7.624 8.101 -0.477 1 1 40 . 11 1 1 A 5 5 LYS HA H 5 3.837 3.975 -0.138 1 1 49 . 11 1 1 A 5 5 LYS C C 5 178.775 179.011 -0.236 1 1 50 . 11 1 1 A 5 5 LYS CA C 5 59.939 59.455 0.484 1 1 51 . 11 1 1 A 5 5 LYS CB C 5 32.344 32.122 0.222 1 1 55 . 11 1 1 A 5 5 LYS N N 5 121.000 120.214 0.786 1 1 56 . 11 1 1 A 6 6 THR H H 6 7.852 8.162 -0.310 1 1 57 . 11 1 1 A 6 6 THR HA H 6 3.908 3.882 0.026 1 1 62 . 11 1 1 A 6 6 THR C C 6 176.483 176.556 -0.073 1 1 63 . 11 1 1 A 6 6 THR CA C 6 66.062 66.941 -0.879 1 1 64 . 11 1 1 A 6 6 THR CB C 6 68.255 68.336 -0.081 1 1 66 . 11 1 1 A 6 6 THR N N 6 115.606 116.782 -1.176 1 1 67 . 11 1 1 A 7 7 ILE H H 7 7.791 8.035 -0.244 1 1 68 . 11 1 1 A 7 7 ILE HA H 7 3.422 3.518 -0.096 1 1 78 . 11 1 1 A 7 7 ILE C C 7 177.219 178.363 -1.144 1 1 79 . 11 1 1 A 7 7 ILE CA C 7 65.799 65.780 0.019 1 1 80 . 11 1 1 A 7 7 ILE CB C 7 37.619 37.646 -0.027 1 1 84 . 11 1 1 A 7 7 ILE N N 7 122.292 121.582 0.710 1 1 85 . 11 1 1 A 8 8 LYS H H 8 8.233 8.328 -0.095 1 1 86 . 11 1 1 A 8 8 LYS HA H 8 3.721 3.982 -0.261 1 1 95 . 11 1 1 A 8 8 LYS C C 8 179.054 178.401 0.653 1 1 96 . 11 1 1 A 8 8 LYS CA C 8 60.378 58.903 1.475 1 1 97 . 11 1 1 A 8 8 LYS CB C 8 31.990 31.828 0.162 1 1 101 . 11 1 1 A 8 8 LYS N N 8 119.853 120.482 -0.629 1 1 102 . 11 1 1 A 9 9 GLU H H 9 7.677 8.036 -0.359 1 1 103 . 11 1 1 A 9 9 GLU HA H 9 4.138 4.048 0.090 1 1 108 . 11 1 1 A 9 9 GLU C C 9 178.839 179.575 -0.736 1 1 109 . 11 1 1 A 9 9 GLU CA C 9 59.045 59.009 0.036 1 1 110 . 11 1 1 A 9 9 GLU CB C 9 28.877 29.571 -0.694 1 1 112 . 11 1 1 A 9 9 GLU N N 9 118.933 119.535 -0.602 1 1 113 . 11 1 1 A 10 10 LEU H H 10 7.996 8.346 -0.350 1 1 114 . 11 1 1 A 10 10 LEU HA H 10 4.027 3.947 0.080 1 1 124 . 11 1 1 A 10 10 LEU C C 10 179.717 179.098 0.619 1 1 125 . 11 1 1 A 10 10 LEU CA C 10 58.212 58.307 -0.095 1 1 126 . 11 1 1 A 10 10 LEU CB C 10 41.994 41.942 0.052 1 1 130 . 11 1 1 A 10 10 LEU N N 10 120.361 121.196 -0.835 1 1 131 . 11 1 1 A 11 11 ILE H H 11 8.059 8.169 -0.110 1 1 132 . 11 1 1 A 11 11 ILE HA H 11 3.233 3.505 -0.272 1 1 142 . 11 1 1 A 11 11 ILE C C 11 179.525 178.360 1.165 1 1 143 . 11 1 1 A 11 11 ILE CA C 11 65.782 65.023 0.759 1 1 144 . 11 1 1 A 11 11 ILE CB C 11 37.620 37.507 0.113 1 1 148 . 11 1 1 A 11 11 ILE N N 11 118.455 119.859 -1.404 1 1 149 . 11 1 1 A 12 12 ASN H H 12 8.219 8.193 0.026 1 1 150 . 11 1 1 A 12 12 ASN HA H 12 4.355 4.508 -0.153 1 1 155 . 11 1 1 A 12 12 ASN C C 12 177.168 178.298 -1.130 1 1 156 . 11 1 1 A 12 12 ASN CA C 12 55.945 56.658 -0.713 1 1 157 . 11 1 1 A 12 12 ASN CB C 12 38.012 37.901 0.111 1 1 158 . 11 1 1 A 12 12 ASN N N 12 120.732 119.067 1.665 1 1 160 . 11 1 1 A 13 13 GLN H H 13 8.028 7.651 0.377 1 1 161 . 11 1 1 A 13 13 GLN HA H 13 4.295 4.292 0.003 1 1 168 . 11 1 1 A 13 13 GLN C C 13 176.418 176.289 0.129 1 1 169 . 11 1 1 A 13 13 GLN CA C 13 55.821 55.834 -0.013 1 1 170 . 11 1 1 A 13 13 GLN CB C 13 28.852 28.917 -0.065 1 1 172 . 11 1 1 A 13 13 GLN N N 13 116.080 115.981 0.099 1 1 174 . 11 1 1 A 14 14 GLY H H 14 7.853 7.769 0.084 1 1 175 . 11 1 1 A 14 14 GLY HA2 H 14 4.337 3.949 0.388 1 1 176 . 11 1 1 A 14 14 GLY HA3 H 14 3.511 3.956 -0.445 1 1 177 . 11 1 1 A 14 14 GLY C C 14 174.233 173.757 0.476 1 1 178 . 11 1 1 A 14 14 GLY CA C 14 45.063 45.342 -0.279 1 1 179 . 11 1 1 A 14 14 GLY N N 14 107.118 108.010 -0.892 1 1 180 . 11 1 1 A 15 15 ASP H H 15 8.325 8.146 0.179 1 1 181 . 11 1 1 A 15 15 ASP HA H 15 4.973 4.660 0.313 1 1 184 . 11 1 1 A 15 15 ASP C C 15 176.427 176.600 -0.173 1 1 185 . 11 1 1 A 15 15 ASP CA C 15 51.828 52.499 -0.671 1 1 186 . 11 1 1 A 15 15 ASP CB C 15 38.583 39.275 -0.692 1 1 187 . 11 1 1 A 15 15 ASP N N 15 125.524 120.348 5.176 1 1 188 . 11 1 1 A 16 16 ILE H H 16 7.615 7.803 -0.188 1 1 189 . 11 1 1 A 16 16 ILE HA H 16 3.353 3.740 -0.387 1 1 199 . 11 1 1 A 16 16 ILE C C 16 177.618 177.551 0.067 1 1 200 . 11 1 1 A 16 16 ILE CA C 16 62.996 64.669 -1.673 1 1 201 . 11 1 1 A 16 16 ILE CB C 16 35.856 37.263 -1.407 1 1 205 . 11 1 1 A 16 16 ILE N N 16 119.875 125.121 -5.246 1 1 206 . 11 1 1 A 17 17 GLU H H 17 8.844 8.219 0.625 1 1 207 . 11 1 1 A 17 17 GLU HA H 17 3.887 3.933 -0.046 1 1 212 . 11 1 1 A 17 17 GLU C C 17 179.739 179.592 0.147 1 1 213 . 11 1 1 A 17 17 GLU CA C 17 60.364 59.615 0.749 1 1 214 . 11 1 1 A 17 17 GLU CB C 17 28.670 29.233 -0.563 1 1 216 . 11 1 1 A 17 17 GLU N N 17 120.080 120.883 -0.803 1 1 217 . 11 1 1 A 18 18 ASN H H 18 7.768 7.777 -0.009 1 1 218 . 11 1 1 A 18 18 ASN HA H 18 4.535 4.505 0.030 1 1 223 . 11 1 1 A 18 18 ASN C C 18 178.197 177.905 0.292 1 1 224 . 11 1 1 A 18 18 ASN CA C 18 55.682 56.356 -0.674 1 1 225 . 11 1 1 A 18 18 ASN CB C 18 37.615 38.228 -0.613 1 1 226 . 11 1 1 A 18 18 ASN N N 18 116.056 118.466 -2.410 1 1 228 . 11 1 1 A 19 19 ALA H H 19 7.989 7.818 0.171 1 1 229 . 11 1 1 A 19 19 ALA HA H 19 3.870 4.080 -0.210 1 1 233 . 11 1 1 A 19 19 ALA C C 19 178.732 179.926 -1.194 1 1 234 . 11 1 1 A 19 19 ALA CA C 19 55.543 55.106 0.437 1 1 235 . 11 1 1 A 19 19 ALA CB C 19 18.362 18.511 -0.149 1 1 236 . 11 1 1 A 19 19 ALA N N 19 123.900 122.963 0.937 1 1 237 . 11 1 1 A 20 20 LEU H H 20 8.589 8.673 -0.084 1 1 238 . 11 1 1 A 20 20 LEU HA H 20 3.856 3.804 0.052 1 1 248 . 11 1 1 A 20 20 LEU C C 20 179.139 179.491 -0.352 1 1 249 . 11 1 1 A 20 20 LEU CA C 20 58.169 57.783 0.386 1 1 250 . 11 1 1 A 20 20 LEU CB C 20 41.569 41.328 0.241 1 1 254 . 11 1 1 A 20 20 LEU N N 20 117.052 117.864 -0.812 1 1 255 . 11 1 1 A 21 21 GLN H H 21 7.439 8.202 -0.763 1 1 256 . 11 1 1 A 21 21 GLN HA H 21 4.029 3.973 0.056 1 1 263 . 11 1 1 A 21 21 GLN C C 21 178.411 178.162 0.249 1 1 264 . 11 1 1 A 21 21 GLN CA C 21 58.730 58.810 -0.080 1 1 265 . 11 1 1 A 21 21 GLN CB C 21 28.002 28.673 -0.671 1 1 267 . 11 1 1 A 21 21 GLN N N 21 118.218 118.796 -0.578 1 1 269 . 11 1 1 A 22 22 ALA H H 22 7.848 7.812 0.036 1 1 270 . 11 1 1 A 22 22 ALA HA H 22 4.191 4.132 0.059 1 1 274 . 11 1 1 A 22 22 ALA C C 22 181.475 180.172 1.303 1 1 275 . 11 1 1 A 22 22 ALA CA C 22 54.631 54.485 0.146 1 1 276 . 11 1 1 A 22 22 ALA CB C 22 17.907 18.260 -0.353 1 1 277 . 11 1 1 A 22 22 ALA N N 22 121.474 121.831 -0.357 1 1 278 . 11 1 1 A 23 23 LEU H H 23 8.751 8.110 0.641 1 1 279 . 11 1 1 A 23 23 LEU HA H 23 3.906 3.968 -0.062 1 1 289 . 11 1 1 A 23 23 LEU C C 23 177.996 179.109 -1.113 1 1 290 . 11 1 1 A 23 23 LEU CA C 23 58.155 57.997 0.158 1 1 291 . 11 1 1 A 23 23 LEU CB C 23 42.020 41.159 0.861 1 1 295 . 11 1 1 A 23 23 LEU N N 23 122.246 119.590 2.656 1 1 296 . 11 1 1 A 24 24 GLU H H 24 8.247 8.212 0.035 1 1 297 . 11 1 1 A 24 24 GLU HA H 24 3.971 3.904 0.067 1 1 302 . 11 1 1 A 24 24 GLU C C 24 179.751 179.179 0.572 1 1 303 . 11 1 1 A 24 24 GLU CA C 24 59.506 60.113 -0.607 1 1 304 . 11 1 1 A 24 24 GLU CB C 24 28.849 29.547 -0.698 1 1 306 . 11 1 1 A 24 24 GLU N N 24 119.875 117.617 2.258 1 1 307 . 11 1 1 A 25 25 GLU H H 25 7.736 8.060 -0.324 1 1 308 . 11 1 1 A 25 25 GLU HA H 25 4.013 4.041 -0.028 1 1 313 . 11 1 1 A 25 25 GLU C C 25 179.204 178.913 0.291 1 1 314 . 11 1 1 A 25 25 GLU CA C 25 59.058 59.508 -0.450 1 1 315 . 11 1 1 A 25 25 GLU CB C 25 29.238 29.491 -0.253 1 1 317 . 11 1 1 A 25 25 GLU N N 25 118.451 120.214 -1.763 1 1 318 . 11 1 1 A 26 26 PHE H H 26 8.389 8.075 0.314 1 1 319 . 11 1 1 A 26 26 PHE HA H 26 4.218 4.081 0.137 1 1 327 . 11 1 1 A 26 26 PHE C C 26 178.732 177.197 1.535 1 1 328 . 11 1 1 A 26 26 PHE CA C 26 61.020 61.380 -0.360 1 1 329 . 11 1 1 A 26 26 PHE CB C 26 39.383 39.224 0.159 1 1 333 . 11 1 1 A 26 26 PHE N N 26 122.243 120.374 1.869 1 1 334 . 11 1 1 A 27 27 LEU H H 27 8.643 8.504 0.139 1 1 335 . 11 1 1 A 27 27 LEU HA H 27 3.666 3.874 -0.208 1 1 345 . 11 1 1 A 27 27 LEU C C 27 179.172 179.520 -0.348 1 1 346 . 11 1 1 A 27 27 LEU CA C 27 57.728 57.895 -0.167 1 1 347 . 11 1 1 A 27 27 LEU CB C 27 42.008 41.413 0.595 1 1 351 . 11 1 1 A 27 27 LEU N N 27 119.374 118.890 0.484 1 1 352 . 11 1 1 A 28 28 GLN H H 28 7.536 7.445 0.091 1 1 353 . 11 1 1 A 28 28 GLN HA H 28 4.215 4.151 0.064 1 1 360 . 11 1 1 A 28 28 GLN C C 28 177.261 178.026 -0.765 1 1 361 . 11 1 1 A 28 28 GLN CA C 28 57.287 58.356 -1.069 1 1 362 . 11 1 1 A 28 28 GLN CB C 28 28.832 28.600 0.232 1 1 364 . 11 1 1 A 28 28 GLN N N 28 116.095 117.599 -1.504 1 1 366 . 11 1 1 A 29 29 THR H H 29 7.480 7.391 0.089 1 1 367 . 11 1 1 A 29 29 THR HA H 29 4.332 4.115 0.217 1 1 372 . 11 1 1 A 29 29 THR C C 29 174.092 174.268 -0.176 1 1 373 . 11 1 1 A 29 29 THR CA C 29 62.533 64.977 -2.444 1 1 374 . 11 1 1 A 29 29 THR CB C 29 70.435 69.540 0.895 1 1 376 . 11 1 1 A 29 29 THR N N 29 108.609 115.706 -7.097 1 1 377 . 11 1 1 A 30 30 GLU H H 30 7.935 7.807 0.128 1 1 378 . 11 1 1 A 30 30 GLU HA H 30 4.221 4.587 -0.366 1 1 383 . 11 1 1 A 30 30 GLU CA C 30 54.719 53.490 1.229 1 1 384 . 11 1 1 A 30 30 GLU CB C 30 28.002 29.875 -1.873 1 1 386 . 11 1 1 A 30 30 GLU N N 30 119.400 118.553 0.847 1 1 387 . 11 1 1 A 31 31 PRO HA H 31 4.430 4.341 0.089 1 1 394 . 11 1 1 A 31 31 PRO C C 31 177.447 177.589 -0.142 1 1 395 . 11 1 1 A 31 31 PRO CA C 31 62.992 64.410 -1.418 1 1 396 . 11 1 1 A 31 31 PRO CB C 31 32.354 31.989 0.365 1 1 399 . 11 1 1 A 32 32 VAL H H 32 7.989 7.820 0.169 1 1 400 . 11 1 1 A 32 32 VAL HA H 32 4.211 3.878 0.333 1 1 408 . 11 1 1 A 32 32 VAL C C 32 176.778 177.570 -0.792 1 1 409 . 11 1 1 A 32 32 VAL CA C 32 62.755 64.908 -2.153 1 1 410 . 11 1 1 A 32 32 VAL CB C 32 32.697 31.372 1.325 1 1 412 . 11 1 1 A 32 32 VAL N N 32 118.439 117.230 1.209 1 1 413 . 11 1 1 A 33 33 GLY H H 33 8.764 8.063 0.701 1 1 414 . 11 1 1 A 33 33 GLY HA2 H 33 4.195 4.163 0.032 1 1 415 . 11 1 1 A 33 33 GLY HA3 H 33 4.195 4.353 -0.158 1 1 416 . 11 1 1 A 33 33 GLY C C 33 176.287 175.327 0.960 1 1 417 . 11 1 1 A 33 33 GLY CA C 33 45.917 45.695 0.222 1 1 418 . 11 1 1 A 33 33 GLY N N 33 111.588 108.264 3.324 1 1 419 . 11 1 1 A 34 34 LYS H H 34 8.296 7.517 0.779 1 1 420 . 11 1 1 A 34 34 LYS HA H 34 3.839 4.087 -0.248 1 1 429 . 11 1 1 A 34 34 LYS C C 34 177.040 179.018 -1.978 1 1 430 . 11 1 1 A 34 34 LYS CA C 34 59.883 59.510 0.373 1 1 431 . 11 1 1 A 34 34 LYS CB C 34 32.883 32.083 0.800 1 1 435 . 11 1 1 A 34 34 LYS N N 34 119.887 119.318 0.569 1 1 436 . 11 1 1 A 35 35 ASP H H 35 9.065 8.658 0.407 1 1 437 . 11 1 1 A 35 35 ASP HA H 35 4.362 4.549 -0.187 1 1 440 . 11 1 1 A 35 35 ASP C C 35 177.018 178.477 -1.459 1 1 441 . 11 1 1 A 35 35 ASP CA C 35 57.636 57.297 0.339 1 1 442 . 11 1 1 A 35 35 ASP CB C 35 41.086 40.074 1.012 1 1 443 . 11 1 1 A 35 35 ASP N N 35 115.065 118.506 -3.441 1 1 444 . 11 1 1 A 36 36 GLU H H 36 7.474 8.281 -0.807 1 1 445 . 11 1 1 A 36 36 GLU HA H 36 4.275 4.077 0.198 1 1 450 . 11 1 1 A 36 36 GLU C C 36 178.261 178.392 -0.131 1 1 451 . 11 1 1 A 36 36 GLU CA C 36 59.046 59.615 -0.569 1 1 452 . 11 1 1 A 36 36 GLU CB C 36 29.283 29.262 0.021 1 1 454 . 11 1 1 A 36 36 GLU N N 36 121.291 120.029 1.262 1 1 455 . 11 1 1 A 37 37 ALA H H 37 7.674 7.609 0.065 1 1 456 . 11 1 1 A 37 37 ALA HA H 37 3.887 4.005 -0.118 1 1 460 . 11 1 1 A 37 37 ALA C C 37 179.161 179.551 -0.390 1 1 461 . 11 1 1 A 37 37 ALA CA C 37 55.091 54.968 0.123 1 1 462 . 11 1 1 A 37 37 ALA CB C 37 17.925 17.965 -0.040 1 1 463 . 11 1 1 A 37 37 ALA N N 37 120.365 121.750 -1.385 1 1 464 . 11 1 1 A 38 38 TYR H H 38 8.175 8.274 -0.099 1 1 465 . 11 1 1 A 38 38 TYR HA H 38 4.422 4.341 0.081 1 1 472 . 11 1 1 A 38 38 TYR C C 38 178.497 178.324 0.173 1 1 473 . 11 1 1 A 38 38 TYR CA C 38 62.662 61.086 1.576 1 1 474 . 11 1 1 A 38 38 TYR CB C 38 37.996 37.983 0.013 1 1 477 . 11 1 1 A 38 38 TYR N N 38 117.027 115.986 1.041 1 1 478 . 11 1 1 A 39 39 TYR H H 39 8.321 8.138 0.183 1 1 479 . 11 1 1 A 39 39 TYR HA H 39 4.413 4.392 0.021 1 1 486 . 11 1 1 A 39 39 TYR C C 39 176.311 177.261 -0.950 1 1 487 . 11 1 1 A 39 39 TYR CA C 39 60.856 61.805 -0.949 1 1 488 . 11 1 1 A 39 39 TYR CB C 39 38.015 38.949 -0.934 1 1 491 . 11 1 1 A 39 39 TYR N N 39 120.527 120.914 -0.387 1 1 492 . 11 1 1 A 40 40 LEU H H 40 8.508 8.748 -0.240 1 1 493 . 11 1 1 A 40 40 LEU HA H 40 3.585 3.877 -0.292 1 1 503 . 11 1 1 A 40 40 LEU C C 40 178.857 179.105 -0.248 1 1 504 . 11 1 1 A 40 40 LEU CA C 40 57.723 57.829 -0.106 1 1 505 . 11 1 1 A 40 40 LEU CB C 40 41.543 41.383 0.160 1 1 509 . 11 1 1 A 40 40 LEU N N 40 118.925 120.448 -1.523 1 1 510 . 11 1 1 A 41 41 MET H H 41 8.661 8.555 0.106 1 1 511 . 11 1 1 A 41 41 MET HA H 41 3.611 3.844 -0.233 1 1 519 . 11 1 1 A 41 41 MET C C 41 178.325 178.925 -0.600 1 1 520 . 11 1 1 A 41 41 MET CA C 41 59.498 59.188 0.310 1 1 521 . 11 1 1 A 41 41 MET CB C 41 32.806 32.561 0.245 1 1 524 . 11 1 1 A 41 41 MET N N 41 119.892 117.053 2.839 1 1 525 . 11 1 1 A 42 42 GLY H H 42 8.531 8.330 0.201 1 1 526 . 11 1 1 A 42 42 GLY HA2 H 42 3.564 2.767 0.797 1 1 527 . 11 1 1 A 42 42 GLY HA3 H 42 3.164 3.673 -0.509 1 1 528 . 11 1 1 A 42 42 GLY C C 42 174.726 175.518 -0.792 1 1 529 . 11 1 1 A 42 42 GLY CA C 42 48.104 46.978 1.126 1 1 530 . 11 1 1 A 42 42 GLY N N 42 107.064 108.586 -1.522 1 1 531 . 11 1 1 A 43 43 ASN H H 43 8.260 8.277 -0.017 1 1 532 . 11 1 1 A 43 43 ASN HA H 43 4.334 4.519 -0.185 1 1 537 . 11 1 1 A 43 43 ASN C C 43 178.111 177.257 0.854 1 1 538 . 11 1 1 A 43 43 ASN CA C 43 54.966 56.381 -1.415 1 1 539 . 11 1 1 A 43 43 ASN CB C 43 36.326 38.889 -2.563 1 1 540 . 11 1 1 A 43 43 ASN N N 43 120.815 119.653 1.162 1 1 542 . 11 1 1 A 44 44 ALA H H 44 8.487 8.011 0.476 1 1 543 . 11 1 1 A 44 44 ALA HA H 44 3.788 3.981 -0.193 1 1 547 . 11 1 1 A 44 44 ALA C C 44 178.389 179.201 -0.812 1 1 548 . 11 1 1 A 44 44 ALA CA C 44 55.152 54.850 0.302 1 1 549 . 11 1 1 A 44 44 ALA CB C 44 16.897 18.246 -1.349 1 1 550 . 11 1 1 A 44 44 ALA N N 44 125.304 121.247 4.057 1 1 551 . 11 1 1 A 45 45 TYR H H 45 8.160 7.878 0.282 1 1 552 . 11 1 1 A 45 45 TYR HA H 45 4.168 4.217 -0.049 1 1 559 . 11 1 1 A 45 45 TYR C C 45 178.775 179.012 -0.237 1 1 560 . 11 1 1 A 45 45 TYR CA C 45 62.995 61.638 1.357 1 1 561 . 11 1 1 A 45 45 TYR CB C 45 36.944 38.044 -1.100 1 1 564 . 11 1 1 A 45 45 TYR N N 45 115.156 116.080 -0.924 1 1 565 . 11 1 1 A 46 46 ARG H H 46 8.901 8.249 0.652 1 1 566 . 11 1 1 A 46 46 ARG HA H 46 3.677 3.801 -0.124 1 1 573 . 11 1 1 A 46 46 ARG C C 46 179.396 178.144 1.252 1 1 574 . 11 1 1 A 46 46 ARG CA C 46 59.924 58.837 1.087 1 1 575 . 11 1 1 A 46 46 ARG CB C 46 30.131 29.998 0.133 1 1 578 . 11 1 1 A 46 46 ARG N N 46 121.781 118.928 2.853 1 1 579 . 11 1 1 A 47 47 LYS H H 47 7.813 7.468 0.345 1 1 580 . 11 1 1 A 47 47 LYS HA H 47 4.058 3.978 0.080 1 1 589 . 11 1 1 A 47 47 LYS C C 47 178.111 179.350 -1.239 1 1 590 . 11 1 1 A 47 47 LYS CA C 47 58.950 59.499 -0.549 1 1 591 . 11 1 1 A 47 47 LYS CB C 47 31.906 32.547 -0.641 1 1 595 . 11 1 1 A 47 47 LYS N N 47 120.818 119.096 1.722 1 1 596 . 11 1 1 A 48 48 LEU H H 48 7.312 7.320 -0.008 1 1 597 . 11 1 1 A 48 48 LEU HA H 48 4.228 4.016 0.212 1 1 607 . 11 1 1 A 48 48 LEU C C 48 177.254 176.885 0.369 1 1 608 . 11 1 1 A 48 48 LEU CA C 48 54.908 56.353 -1.445 1 1 609 . 11 1 1 A 48 48 LEU CB C 48 42.475 42.703 -0.228 1 1 613 . 11 1 1 A 48 48 LEU N N 48 116.553 117.681 -1.128 1 1 614 . 11 1 1 A 49 49 GLY H H 49 7.564 8.109 -0.545 1 1 615 . 11 1 1 A 49 49 GLY HA2 H 49 3.607 3.608 -0.001 1 1 616 . 11 1 1 A 49 49 GLY HA3 H 49 2.316 3.856 -1.540 1 1 617 . 11 1 1 A 49 49 GLY C C 49 172.900 173.321 -0.421 1 1 618 . 11 1 1 A 49 49 GLY CA C 49 44.184 44.536 -0.352 1 1 619 . 11 1 1 A 49 49 GLY N N 49 107.326 105.735 1.591 1 1 620 . 11 1 1 A 50 50 ASP H H 50 7.670 7.596 0.074 1 1 621 . 11 1 1 A 50 50 ASP HA H 50 4.564 4.568 -0.004 1 1 624 . 11 1 1 A 50 50 ASP C C 50 175.681 175.561 0.120 1 1 625 . 11 1 1 A 50 50 ASP CA C 50 51.083 52.841 -1.758 1 1 626 . 11 1 1 A 50 50 ASP CB C 50 39.169 41.704 -2.535 1 1 627 . 11 1 1 A 50 50 ASP N N 50 120.356 119.504 0.852 1 1 628 . 11 1 1 A 51 51 TRP H H 51 6.939 8.453 -1.514 1 1 629 . 11 1 1 A 51 51 TRP HA H 51 4.314 4.491 -0.177 1 1 638 . 11 1 1 A 51 51 TRP C C 51 178.047 178.807 -0.760 1 1 639 . 11 1 1 A 51 51 TRP CA C 51 58.473 59.397 -0.924 1 1 640 . 11 1 1 A 51 51 TRP CB C 51 30.099 29.802 0.297 1 1 646 . 11 1 1 A 51 51 TRP N N 51 121.784 125.636 -3.852 1 1 648 . 11 1 1 A 52 52 GLN H H 52 8.677 8.099 0.578 1 1 649 . 11 1 1 A 52 52 GLN HA H 52 3.960 3.854 0.106 1 1 656 . 11 1 1 A 52 52 GLN C C 52 178.454 178.952 -0.498 1 1 657 . 11 1 1 A 52 52 GLN CA C 52 58.925 59.281 -0.356 1 1 658 . 11 1 1 A 52 52 GLN CB C 52 28.183 28.195 -0.012 1 1 660 . 11 1 1 A 52 52 GLN N N 52 117.018 118.964 -1.946 1 1 662 . 11 1 1 A 53 53 LYS H H 53 7.392 8.239 -0.847 1 1 663 . 11 1 1 A 53 53 LYS HA H 53 3.774 3.698 0.076 1 1 672 . 11 1 1 A 53 53 LYS C C 53 180.361 178.528 1.833 1 1 673 . 11 1 1 A 53 53 LYS CA C 53 59.764 59.051 0.713 1 1 674 . 11 1 1 A 53 53 LYS CB C 53 30.802 31.453 -0.651 1 1 678 . 11 1 1 A 53 53 LYS N N 53 117.913 119.612 -1.699 1 1 679 . 11 1 1 A 54 54 ALA H H 54 8.223 7.333 0.890 1 1 680 . 11 1 1 A 54 54 ALA HA H 54 4.012 3.882 0.130 1 1 684 . 11 1 1 A 54 54 ALA C C 54 177.635 180.070 -2.435 1 1 685 . 11 1 1 A 54 54 ALA CA C 54 55.792 55.094 0.698 1 1 686 . 11 1 1 A 54 54 ALA CB C 54 17.045 18.864 -1.819 1 1 687 . 11 1 1 A 54 54 ALA N N 54 123.665 122.189 1.476 1 1 688 . 11 1 1 A 55 55 LEU H H 55 8.425 8.728 -0.303 1 1 689 . 11 1 1 A 55 55 LEU HA H 55 4.010 4.042 -0.032 1 1 699 . 11 1 1 A 55 55 LEU C C 55 179.568 179.351 0.217 1 1 700 . 11 1 1 A 55 55 LEU CA C 55 58.611 58.267 0.344 1 1 701 . 11 1 1 A 55 55 LEU CB C 55 41.500 41.654 -0.154 1 1 705 . 11 1 1 A 55 55 LEU N N 55 116.583 118.132 -1.549 1 1 706 . 11 1 1 A 56 56 ASN H H 56 8.284 8.199 0.085 1 1 707 . 11 1 1 A 56 56 ASN HA H 56 4.360 4.453 -0.093 1 1 712 . 11 1 1 A 56 56 ASN C C 56 177.790 178.357 -0.567 1 1 713 . 11 1 1 A 56 56 ASN CA C 56 55.852 56.523 -0.671 1 1 714 . 11 1 1 A 56 56 ASN CB C 56 37.882 38.178 -0.296 1 1 715 . 11 1 1 A 56 56 ASN N N 56 117.763 118.206 -0.443 1 1 717 . 11 1 1 A 57 57 ASN H H 57 7.600 7.786 -0.186 1 1 718 . 11 1 1 A 57 57 ASN HA H 57 4.425 4.477 -0.052 1 1 723 . 11 1 1 A 57 57 ASN C C 57 177.404 178.026 -0.622 1 1 724 . 11 1 1 A 57 57 ASN CA C 57 58.105 56.147 1.958 1 1 725 . 11 1 1 A 57 57 ASN CB C 57 38.931 38.510 0.421 1 1 726 . 11 1 1 A 57 57 ASN N N 57 118.927 117.639 1.288 1 1 728 . 11 1 1 A 58 58 TYR H H 58 8.838 8.162 0.676 1 1 729 . 11 1 1 A 58 58 TYR HA H 58 4.667 4.385 0.282 1 1 736 . 11 1 1 A 58 58 TYR C C 58 178.047 178.300 -0.253 1 1 737 . 11 1 1 A 58 58 TYR CA C 58 58.430 61.350 -2.920 1 1 738 . 11 1 1 A 58 58 TYR CB C 58 36.743 38.239 -1.496 1 1 741 . 11 1 1 A 58 58 TYR N N 58 118.473 119.191 -0.718 1 1 742 . 11 1 1 A 59 59 GLN H H 59 8.572 8.052 0.520 1 1 743 . 11 1 1 A 59 59 GLN HA H 59 4.022 3.902 0.120 1 1 750 . 11 1 1 A 59 59 GLN C C 59 178.040 178.052 -0.012 1 1 751 . 11 1 1 A 59 59 GLN CA C 59 59.054 58.764 0.290 1 1 752 . 11 1 1 A 59 59 GLN CB C 59 27.126 28.823 -1.697 1 1 754 . 11 1 1 A 59 59 GLN N N 59 118.483 121.391 -2.908 1 1 756 . 11 1 1 A 60 60 SER H H 60 7.696 7.798 -0.102 1 1 757 . 11 1 1 A 60 60 SER HA H 60 3.931 4.445 -0.514 1 1 760 . 11 1 1 A 60 60 SER C C 60 175.926 176.127 -0.201 1 1 761 . 11 1 1 A 60 60 SER CA C 60 62.121 61.577 0.544 1 1 762 . 11 1 1 A 60 60 SER CB C 60 61.244 62.056 -0.812 1 1 763 . 11 1 1 A 60 60 SER N N 60 116.103 116.624 -0.521 1 1 764 . 11 1 1 A 61 61 ALA H H 61 7.739 7.797 -0.058 1 1 765 . 11 1 1 A 61 61 ALA HA H 61 4.075 4.342 -0.267 1 1 769 . 11 1 1 A 61 61 ALA C C 61 178.686 180.487 -1.801 1 1 770 . 11 1 1 A 61 61 ALA CA C 61 56.019 55.209 0.810 1 1 771 . 11 1 1 A 61 61 ALA CB C 61 18.790 18.633 0.157 1 1 772 . 11 1 1 A 61 61 ALA N N 61 122.319 122.940 -0.621 1 1 773 . 11 1 1 A 62 62 ILE H H 62 7.991 7.710 0.281 1 1 774 . 11 1 1 A 62 62 ILE HA H 62 3.857 3.962 -0.105 1 1 784 . 11 1 1 A 62 62 ILE C C 62 178.131 177.930 0.201 1 1 785 . 11 1 1 A 62 62 ILE CA C 62 63.418 64.840 -1.422 1 1 786 . 11 1 1 A 62 62 ILE CB C 62 39.119 36.952 2.167 1 1 790 . 11 1 1 A 62 62 ILE N N 62 117.981 118.839 -0.858 1 1 791 . 11 1 1 A 63 63 GLU H H 63 7.988 8.326 -0.338 1 1 792 . 11 1 1 A 63 63 GLU HA H 63 3.902 4.069 -0.167 1 1 797 . 11 1 1 A 63 63 GLU C C 63 178.564 178.599 -0.035 1 1 798 . 11 1 1 A 63 63 GLU CA C 63 58.594 59.358 -0.764 1 1 799 . 11 1 1 A 63 63 GLU CB C 63 29.278 29.308 -0.030 1 1 801 . 11 1 1 A 63 63 GLU N N 63 118.190 121.680 -3.490 1 1 802 . 11 1 1 A 64 64 LEU H H 64 7.024 7.340 -0.316 1 1 803 . 11 1 1 A 64 64 LEU HA H 64 4.347 4.298 0.049 1 1 813 . 11 1 1 A 64 64 LEU C C 64 177.496 177.143 0.353 1 1 814 . 11 1 1 A 64 64 LEU CA C 64 55.810 56.297 -0.487 1 1 815 . 11 1 1 A 64 64 LEU CB C 64 43.746 43.568 0.178 1 1 819 . 11 1 1 A 64 64 LEU N N 64 116.109 119.261 -3.152 1 1 820 . 11 1 1 A 65 65 ASN H H 65 8.270 8.008 0.262 1 1 821 . 11 1 1 A 65 65 ASN HA H 65 5.068 5.132 -0.064 1 1 826 . 11 1 1 A 65 65 ASN C C 65 172.512 174.023 -1.511 1 1 827 . 11 1 1 A 65 65 ASN CA C 65 49.457 49.690 -0.233 1 1 828 . 11 1 1 A 65 65 ASN CB C 65 38.936 40.648 -1.712 1 1 829 . 11 1 1 A 65 65 ASN N N 65 116.544 115.076 1.468 1 1 831 . 11 1 1 A 66 66 PRO HA H 66 4.467 4.536 -0.069 1 1 838 . 11 1 1 A 66 66 PRO C C 66 176.054 176.472 -0.418 1 1 839 . 11 1 1 A 66 66 PRO CA C 66 63.894 64.038 -0.144 1 1 840 . 11 1 1 A 66 66 PRO CB C 66 31.935 31.705 0.230 1 1 843 . 11 1 1 A 67 67 ASP H H 67 7.326 8.184 -0.858 1 1 844 . 11 1 1 A 67 67 ASP HA H 67 4.863 4.827 0.036 1 1 847 . 11 1 1 A 67 67 ASP C C 67 175.647 175.487 0.160 1 1 848 . 11 1 1 A 67 67 ASP CA C 67 53.273 53.783 -0.510 1 1 849 . 11 1 1 A 67 67 ASP CB C 67 41.453 41.353 0.100 1 1 850 . 11 1 1 A 67 67 ASP N N 67 114.579 117.587 -3.008 1 1 851 . 11 1 1 A 68 68 SER H H 68 7.670 7.321 0.349 1 1 852 . 11 1 1 A 68 68 SER HA H 68 4.315 4.555 -0.240 1 1 856 . 11 1 1 A 68 68 SER C C 68 175.108 174.950 0.158 1 1 857 . 11 1 1 A 68 68 SER CA C 68 56.422 56.381 0.041 1 1 858 . 11 1 1 A 68 68 SER CB C 68 63.880 63.657 0.223 1 1 859 . 11 1 1 A 68 68 SER N N 68 115.624 117.712 -2.088 1 1 860 . 11 1 1 A 69 69 PRO HA H 69 4.588 4.425 0.163 1 1 867 . 11 1 1 A 69 69 PRO C C 69 177.083 177.294 -0.211 1 1 868 . 11 1 1 A 69 69 PRO CA C 69 63.870 64.178 -0.308 1 1 869 . 11 1 1 A 69 69 PRO CB C 69 30.612 31.451 -0.839 1 1 872 . 11 1 1 A 70 70 ALA H H 70 8.442 8.085 0.357 1 1 873 . 11 1 1 A 70 70 ALA HA H 70 3.679 4.199 -0.520 1 1 877 . 11 1 1 A 70 70 ALA C C 70 177.667 180.072 -2.405 1 1 878 . 11 1 1 A 70 70 ALA CA C 70 54.025 54.736 -0.711 1 1 879 . 11 1 1 A 70 70 ALA CB C 70 20.741 18.834 1.907 1 1 880 . 11 1 1 A 70 70 ALA N N 70 121.749 120.724 1.025 1 1 881 . 11 1 1 A 71 71 LEU H H 71 7.956 7.792 0.164 1 1 882 . 11 1 1 A 71 71 LEU HA H 71 3.883 3.846 0.037 1 1 892 . 11 1 1 A 71 71 LEU C C 71 179.241 179.208 0.033 1 1 893 . 11 1 1 A 71 71 LEU CA C 71 58.602 58.199 0.403 1 1 894 . 11 1 1 A 71 71 LEU CB C 71 41.987 41.643 0.344 1 1 898 . 11 1 1 A 71 71 LEU N N 71 119.448 119.052 0.396 1 1 899 . 11 1 1 A 72 72 GLN H H 72 7.464 7.997 -0.533 1 1 900 . 11 1 1 A 72 72 GLN HA H 72 4.049 4.111 -0.062 1 1 907 . 11 1 1 A 72 72 GLN C C 72 178.432 178.263 0.169 1 1 908 . 11 1 1 A 72 72 GLN CA C 72 58.626 58.980 -0.354 1 1 909 . 11 1 1 A 72 72 GLN CB C 72 27.557 28.408 -0.851 1 1 911 . 11 1 1 A 72 72 GLN N N 72 117.976 117.716 0.260 1 1 913 . 11 1 1 A 73 73 ALA H H 73 7.296 8.024 -0.728 1 1 914 . 11 1 1 A 73 73 ALA HA H 73 4.017 3.947 0.070 1 1 918 . 11 1 1 A 73 73 ALA C C 73 178.775 179.339 -0.564 1 1 919 . 11 1 1 A 73 73 ALA CA C 73 54.688 54.941 -0.253 1 1 920 . 11 1 1 A 73 73 ALA CB C 73 17.473 17.652 -0.179 1 1 921 . 11 1 1 A 73 73 ALA N N 73 123.083 122.800 0.283 1 1 922 . 11 1 1 A 74 74 ARG H H 74 8.328 7.840 0.488 1 1 923 . 11 1 1 A 74 74 ARG HA H 74 3.820 4.127 -0.307 1 1 931 . 11 1 1 A 74 74 ARG C C 74 177.297 178.437 -1.140 1 1 932 . 11 1 1 A 74 74 ARG CA C 74 59.805 58.551 1.254 1 1 933 . 11 1 1 A 74 74 ARG CB C 74 29.773 29.772 0.001 1 1 936 . 11 1 1 A 74 74 ARG N N 74 117.535 118.454 -0.919 1 1 938 . 11 1 1 A 75 75 LYS H H 75 7.123 7.776 -0.653 1 1 939 . 11 1 1 A 75 75 LYS HA H 75 3.960 4.098 -0.138 1 1 948 . 11 1 1 A 75 75 LYS C C 75 178.071 179.454 -1.383 1 1 949 . 11 1 1 A 75 75 LYS CA C 75 59.488 59.411 0.077 1 1 950 . 11 1 1 A 75 75 LYS CB C 75 31.928 32.276 -0.348 1 1 954 . 11 1 1 A 75 75 LYS N N 75 119.136 119.054 0.082 1 1 955 . 11 1 1 A 76 76 MET H H 76 7.673 8.550 -0.877 1 1 956 . 11 1 1 A 76 76 MET HA H 76 4.205 4.186 0.019 1 1 964 . 11 1 1 A 76 76 MET C C 76 178.925 178.919 0.006 1 1 965 . 11 1 1 A 76 76 MET CA C 76 58.637 58.472 0.165 1 1 966 . 11 1 1 A 76 76 MET CB C 76 32.344 32.401 -0.057 1 1 969 . 11 1 1 A 76 76 MET N N 76 116.794 118.387 -1.593 1 1 970 . 11 1 1 A 77 77 VAL H H 77 7.928 7.964 -0.036 1 1 971 . 11 1 1 A 77 77 VAL HA H 77 3.601 3.489 0.112 1 1 979 . 11 1 1 A 77 77 VAL C C 77 177.318 177.994 -0.676 1 1 980 . 11 1 1 A 77 77 VAL CA C 77 66.468 66.641 -0.173 1 1 981 . 11 1 1 A 77 77 VAL CB C 77 31.477 32.016 -0.539 1 1 984 . 11 1 1 A 77 77 VAL N N 77 117.999 121.117 -3.118 1 1 985 . 11 1 1 A 78 78 MET H H 78 8.446 8.103 0.343 1 1 986 . 11 1 1 A 78 78 MET HA H 78 4.136 4.145 -0.009 1 1 994 . 11 1 1 A 78 78 MET C C 78 178.542 177.880 0.662 1 1 995 . 11 1 1 A 78 78 MET CA C 78 58.514 58.338 0.176 1 1 996 . 11 1 1 A 78 78 MET CB C 78 31.036 32.256 -1.220 1 1 999 . 11 1 1 A 78 78 MET N N 78 119.079 117.436 1.643 1 1 1000 . 11 1 1 A 79 79 ASP H H 79 8.202 8.316 -0.114 1 1 1001 . 11 1 1 A 79 79 ASP HA H 79 4.419 4.306 0.113 1 1 1004 . 11 1 1 A 79 79 ASP C C 79 179.097 178.619 0.478 1 1 1005 . 11 1 1 A 79 79 ASP CA C 79 57.277 57.709 -0.432 1 1 1006 . 11 1 1 A 79 79 ASP CB C 79 39.813 41.640 -1.827 1 1 1007 . 11 1 1 A 79 79 ASP N N 79 119.422 120.231 -0.809 1 1 1008 . 11 1 1 A 80 80 ILE H H 80 7.625 8.051 -0.426 1 1 1009 . 11 1 1 A 80 80 ILE HA H 80 3.643 3.660 -0.017 1 1 1019 . 11 1 1 A 80 80 ILE C C 80 178.024 178.536 -0.512 1 1 1020 . 11 1 1 A 80 80 ILE CA C 80 64.717 65.169 -0.452 1 1 1021 . 11 1 1 A 80 80 ILE CB C 80 37.661 37.062 0.599 1 1 1025 . 11 1 1 A 80 80 ILE N N 80 121.750 119.099 2.651 1 1 1026 . 11 1 1 A 81 81 LEU H H 81 8.071 8.231 -0.160 1 1 1027 . 11 1 1 A 81 81 LEU HA H 81 3.908 3.860 0.048 1 1 1037 . 11 1 1 A 81 81 LEU C C 81 178.852 179.111 -0.259 1 1 1038 . 11 1 1 A 81 81 LEU CA C 81 57.329 57.946 -0.617 1 1 1039 . 11 1 1 A 81 81 LEU CB C 81 41.544 40.992 0.552 1 1 1043 . 11 1 1 A 81 81 LEU N N 81 119.850 120.069 -0.219 1 1 1044 . 11 1 1 A 82 82 ASN H H 82 8.188 7.911 0.277 1 1 1045 . 11 1 1 A 82 82 ASN HA H 82 4.417 4.288 0.129 1 1 1050 . 11 1 1 A 82 82 ASN C C 82 176.440 177.763 -1.323 1 1 1051 . 11 1 1 A 82 82 ASN CA C 82 55.011 55.967 -0.956 1 1 1052 . 11 1 1 A 82 82 ASN CB C 82 38.461 38.367 0.094 1 1 1053 . 11 1 1 A 82 82 ASN N N 82 116.186 117.511 -1.325 1 1 1055 . 11 1 1 A 83 83 PHE H H 83 7.779 7.693 0.086 1 1 1056 . 11 1 1 A 83 83 PHE HA H 83 4.352 4.025 0.327 1 1 1064 . 11 1 1 A 83 83 PHE C C 83 176.767 177.545 -0.778 1 1 1065 . 11 1 1 A 83 83 PHE CA C 83 59.557 60.500 -0.943 1 1 1066 . 11 1 1 A 83 83 PHE CB C 83 38.944 38.432 0.512 1 1 1070 . 11 1 1 A 83 83 PHE N N 83 118.925 118.452 0.473 1 1 1071 . 11 1 1 A 84 84 TYR H H 84 8.057 7.730 0.327 1 1 1072 . 11 1 1 A 84 84 TYR HA H 84 4.388 4.506 -0.118 1 1 1079 . 11 1 1 A 84 84 TYR C C 84 176.233 176.097 0.136 1 1 1080 . 11 1 1 A 84 84 TYR CA C 84 59.261 60.163 -0.902 1 1 1081 . 11 1 1 A 84 84 TYR CB C 84 38.503 38.873 -0.370 1 1 1084 . 11 1 1 A 84 84 TYR N N 84 118.223 117.476 0.747 1 1 1085 . 11 1 1 A 85 85 ASN H H 85 8.192 8.145 0.047 1 1 1086 . 11 1 1 A 85 85 ASN HA H 85 4.679 5.084 -0.405 1 1 1091 . 11 1 1 A 85 85 ASN C C 85 175.367 174.695 0.672 1 1 1092 . 11 1 1 A 85 85 ASN CA C 85 53.261 52.084 1.177 1 1 1093 . 11 1 1 A 85 85 ASN CB C 85 38.501 42.167 -3.666 1 1 1094 . 11 1 1 A 85 85 ASN N N 85 118.935 112.315 6.620 1 1 1096 . 11 1 1 A 86 86 LYS H H 86 8.151 8.737 -0.586 1 1 1097 . 11 1 1 A 86 86 LYS HA H 86 4.151 4.745 -0.594 1 1 1106 . 11 1 1 A 86 86 LYS C C 86 176.981 177.121 -0.140 1 1 1107 . 11 1 1 A 86 86 LYS CA C 86 57.714 55.636 2.078 1 1 1108 . 11 1 1 A 86 86 LYS CB C 86 32.368 32.934 -0.566 1 1 1112 . 11 1 1 A 86 86 LYS N N 86 121.533 122.694 -1.161 1 1 1113 . 11 1 1 A 87 87 ASP H H 87 8.269 7.984 0.285 1 1 1114 . 11 1 1 A 87 87 ASP HA H 87 4.553 4.635 -0.082 1 1 1117 . 11 1 1 A 87 87 ASP C C 87 177.209 177.712 -0.503 1 1 1118 . 11 1 1 A 87 87 ASP CA C 87 55.538 55.654 -0.116 1 1 1119 . 11 1 1 A 87 87 ASP CB C 87 40.677 41.401 -0.724 1 1 1120 . 11 1 1 A 87 87 ASP N N 87 119.408 121.495 -2.087 1 1 1121 . 11 1 1 A 88 88 MET H H 88 7.941 8.019 -0.078 1 1 1122 . 11 1 1 A 88 88 MET HA H 88 4.257 4.302 -0.045 1 1 1130 . 11 1 1 A 88 88 MET C C 88 176.851 176.393 0.458 1 1 1131 . 11 1 1 A 88 88 MET CA C 88 56.461 57.794 -1.333 1 1 1132 . 11 1 1 A 88 88 MET CB C 88 32.371 32.674 -0.303 1 1 1135 . 11 1 1 A 88 88 MET N N 88 119.377 119.126 0.251 1 1 1136 . 11 1 1 A 89 89 TYR H H 89 8.094 7.877 0.217 1 1 1137 . 11 1 1 A 89 89 TYR HA H 89 4.350 4.186 0.164 1 1 1144 . 11 1 1 A 89 89 TYR C C 89 176.252 176.464 -0.212 1 1 1145 . 11 1 1 A 89 89 TYR CA C 89 59.097 60.084 -0.987 1 1 1146 . 11 1 1 A 89 89 TYR CB C 89 38.051 38.609 -0.558 1 1 1149 . 11 1 1 A 89 89 TYR N N 89 119.418 120.678 -1.260 1 1 1150 . 11 1 1 A 90 90 ASN H H 90 8.244 7.767 0.477 1 1 1151 . 11 1 1 A 90 90 ASN HA H 90 4.573 4.189 0.384 1 1 1156 . 11 1 1 A 90 90 ASN C C 90 175.907 174.783 1.124 1 1 1157 . 11 1 1 A 90 90 ASN CA C 90 53.867 54.766 -0.899 1 1 1158 . 11 1 1 A 90 90 ASN CB C 90 38.479 36.755 1.724 1 1 1159 . 11 1 1 A 90 90 ASN N N 90 118.918 119.091 -0.173 1 1 1161 . 11 1 1 A 91 91 GLN H H 91 8.176 7.342 0.834 1 1 1162 . 11 1 1 A 91 91 GLN HA H 91 4.216 4.059 0.157 1 1 1169 . 11 1 1 A 91 91 GLN C C 91 176.568 178.114 -1.546 1 1 1170 . 11 1 1 A 91 91 GLN CA C 91 56.600 57.863 -1.263 1 1 1171 . 11 1 1 A 91 91 GLN CB C 91 28.859 29.064 -0.205 1 1 1173 . 11 1 1 A 91 91 GLN N N 91 119.648 117.816 1.832 1 1 1175 . 11 1 1 A 92 92 LEU H H 92 8.015 7.210 0.805 1 1 1176 . 11 1 1 A 92 92 LEU HA H 92 4.214 3.942 0.272 1 1 1186 . 11 1 1 A 92 92 LEU C C 92 177.661 176.753 0.908 1 1 1187 . 11 1 1 A 92 92 LEU CA C 92 55.550 57.562 -2.012 1 1 1188 . 11 1 1 A 92 92 LEU CB C 92 41.994 41.932 0.062 1 1 1192 . 11 1 1 A 92 92 LEU N N 92 121.059 119.921 1.138 1 1 1193 . 11 1 1 A 93 93 GLU H H 93 8.132 7.535 0.597 1 1 1194 . 11 1 1 A 93 93 GLU HA H 93 4.099 4.446 -0.347 1 1 1199 . 11 1 1 A 93 93 GLU C C 93 176.461 175.001 1.460 1 1 1200 . 11 1 1 A 93 93 GLU CA C 93 56.838 55.439 1.399 1 1 1201 . 11 1 1 A 93 93 GLU CB C 93 29.803 33.078 -3.275 1 1 1203 . 11 1 1 A 93 93 GLU N N 93 119.896 114.492 5.404 1 1 1204 . 11 1 1 A 94 94 HIS H H 94 8.134 8.722 -0.588 1 1 1205 . 11 1 1 A 94 94 HIS C C 94 174.994 174.336 0.658 1 1 1206 . 11 1 1 A 94 94 HIS CA C 94 56.075 57.778 -1.703 1 1 1207 . 11 1 1 A 94 94 HIS CB C 94 29.997 29.798 0.199 1 1 1 . 12 1 1 A 2 2 ASP HA H 2 4.708 5.338 -0.630 1 1 4 . 12 1 1 A 2 2 ASP C C 2 176.847 176.300 0.547 1 1 5 . 12 1 1 A 2 2 ASP CA C 2 53.800 52.245 1.555 1 1 6 . 12 1 1 A 2 2 ASP CB C 2 40.922 43.913 -2.991 1 1 7 . 12 1 1 A 3 3 GLN H H 3 9.117 8.916 0.201 1 1 8 . 12 1 1 A 3 3 GLN HA H 3 4.139 3.909 0.230 1 1 15 . 12 1 1 A 3 3 GLN C C 3 177.725 177.360 0.365 1 1 16 . 12 1 1 A 3 3 GLN CA C 3 58.612 58.322 0.290 1 1 17 . 12 1 1 A 3 3 GLN CB C 3 28.880 28.255 0.625 1 1 19 . 12 1 1 A 3 3 GLN N N 3 124.129 122.185 1.944 1 1 21 . 12 1 1 A 4 4 LEU H H 4 8.285 8.078 0.207 1 1 22 . 12 1 1 A 4 4 LEU HA H 4 3.947 3.661 0.286 1 1 32 . 12 1 1 A 4 4 LEU C C 4 178.111 179.226 -1.115 1 1 33 . 12 1 1 A 4 4 LEU CA C 4 56.421 57.825 -1.404 1 1 34 . 12 1 1 A 4 4 LEU CB C 4 40.690 41.430 -0.740 1 1 38 . 12 1 1 A 4 4 LEU N N 4 117.977 119.445 -1.468 1 1 39 . 12 1 1 A 5 5 LYS H H 5 7.624 7.844 -0.220 1 1 40 . 12 1 1 A 5 5 LYS HA H 5 3.837 3.963 -0.126 1 1 49 . 12 1 1 A 5 5 LYS C C 5 178.775 179.192 -0.417 1 1 50 . 12 1 1 A 5 5 LYS CA C 5 59.939 59.472 0.467 1 1 51 . 12 1 1 A 5 5 LYS CB C 5 32.344 32.087 0.257 1 1 55 . 12 1 1 A 5 5 LYS N N 5 121.000 120.603 0.397 1 1 56 . 12 1 1 A 6 6 THR H H 6 7.852 8.004 -0.152 1 1 57 . 12 1 1 A 6 6 THR HA H 6 3.908 3.924 -0.016 1 1 62 . 12 1 1 A 6 6 THR C C 6 176.483 176.803 -0.320 1 1 63 . 12 1 1 A 6 6 THR CA C 6 66.062 66.905 -0.843 1 1 64 . 12 1 1 A 6 6 THR CB C 6 68.255 67.758 0.497 1 1 66 . 12 1 1 A 6 6 THR N N 6 115.606 117.447 -1.841 1 1 67 . 12 1 1 A 7 7 ILE H H 7 7.791 7.761 0.030 1 1 68 . 12 1 1 A 7 7 ILE HA H 7 3.422 3.506 -0.084 1 1 78 . 12 1 1 A 7 7 ILE C C 7 177.219 177.519 -0.300 1 1 79 . 12 1 1 A 7 7 ILE CA C 7 65.799 65.433 0.366 1 1 80 . 12 1 1 A 7 7 ILE CB C 7 37.619 37.565 0.054 1 1 84 . 12 1 1 A 7 7 ILE N N 7 122.292 121.516 0.776 1 1 85 . 12 1 1 A 8 8 LYS H H 8 8.233 8.172 0.061 1 1 86 . 12 1 1 A 8 8 LYS HA H 8 3.721 3.799 -0.078 1 1 95 . 12 1 1 A 8 8 LYS C C 8 179.054 180.075 -1.021 1 1 96 . 12 1 1 A 8 8 LYS CA C 8 60.378 60.382 -0.004 1 1 97 . 12 1 1 A 8 8 LYS CB C 8 31.990 31.934 0.056 1 1 101 . 12 1 1 A 8 8 LYS N N 8 119.853 119.058 0.795 1 1 102 . 12 1 1 A 9 9 GLU H H 9 7.677 8.112 -0.435 1 1 103 . 12 1 1 A 9 9 GLU HA H 9 4.138 4.050 0.088 1 1 108 . 12 1 1 A 9 9 GLU C C 9 178.839 179.342 -0.503 1 1 109 . 12 1 1 A 9 9 GLU CA C 9 59.045 59.098 -0.053 1 1 110 . 12 1 1 A 9 9 GLU CB C 9 28.877 29.371 -0.494 1 1 112 . 12 1 1 A 9 9 GLU N N 9 118.933 120.641 -1.708 1 1 113 . 12 1 1 A 10 10 LEU H H 10 7.996 8.027 -0.031 1 1 114 . 12 1 1 A 10 10 LEU HA H 10 4.027 4.013 0.014 1 1 124 . 12 1 1 A 10 10 LEU C C 10 179.717 179.056 0.661 1 1 125 . 12 1 1 A 10 10 LEU CA C 10 58.212 58.006 0.206 1 1 126 . 12 1 1 A 10 10 LEU CB C 10 41.994 41.592 0.402 1 1 130 . 12 1 1 A 10 10 LEU N N 10 120.361 120.553 -0.192 1 1 131 . 12 1 1 A 11 11 ILE H H 11 8.059 8.151 -0.092 1 1 132 . 12 1 1 A 11 11 ILE HA H 11 3.233 3.490 -0.257 1 1 142 . 12 1 1 A 11 11 ILE C C 11 179.525 178.829 0.696 1 1 143 . 12 1 1 A 11 11 ILE CA C 11 65.782 65.002 0.780 1 1 144 . 12 1 1 A 11 11 ILE CB C 11 37.620 37.310 0.310 1 1 148 . 12 1 1 A 11 11 ILE N N 11 118.455 119.608 -1.153 1 1 149 . 12 1 1 A 12 12 ASN H H 12 8.219 7.954 0.265 1 1 150 . 12 1 1 A 12 12 ASN HA H 12 4.355 4.455 -0.100 1 1 155 . 12 1 1 A 12 12 ASN C C 12 177.168 178.631 -1.463 1 1 156 . 12 1 1 A 12 12 ASN CA C 12 55.945 56.144 -0.199 1 1 157 . 12 1 1 A 12 12 ASN CB C 12 38.012 37.946 0.066 1 1 158 . 12 1 1 A 12 12 ASN N N 12 120.732 119.044 1.688 1 1 160 . 12 1 1 A 13 13 GLN H H 13 8.028 8.008 0.020 1 1 161 . 12 1 1 A 13 13 GLN HA H 13 4.295 4.216 0.079 1 1 168 . 12 1 1 A 13 13 GLN C C 13 176.418 176.066 0.352 1 1 169 . 12 1 1 A 13 13 GLN CA C 13 55.821 56.135 -0.314 1 1 170 . 12 1 1 A 13 13 GLN CB C 13 28.852 28.701 0.151 1 1 172 . 12 1 1 A 13 13 GLN N N 13 116.080 116.041 0.039 1 1 174 . 12 1 1 A 14 14 GLY H H 14 7.853 7.982 -0.129 1 1 175 . 12 1 1 A 14 14 GLY HA2 H 14 4.337 3.958 0.379 1 1 176 . 12 1 1 A 14 14 GLY HA3 H 14 3.511 3.966 -0.455 1 1 177 . 12 1 1 A 14 14 GLY C C 14 174.233 173.852 0.381 1 1 178 . 12 1 1 A 14 14 GLY CA C 14 45.063 44.912 0.151 1 1 179 . 12 1 1 A 14 14 GLY N N 14 107.118 106.999 0.119 1 1 180 . 12 1 1 A 15 15 ASP H H 15 8.325 7.808 0.517 1 1 181 . 12 1 1 A 15 15 ASP HA H 15 4.973 4.623 0.350 1 1 184 . 12 1 1 A 15 15 ASP C C 15 176.427 176.520 -0.093 1 1 185 . 12 1 1 A 15 15 ASP CA C 15 51.828 52.593 -0.765 1 1 186 . 12 1 1 A 15 15 ASP CB C 15 38.583 39.627 -1.044 1 1 187 . 12 1 1 A 15 15 ASP N N 15 125.524 119.873 5.651 1 1 188 . 12 1 1 A 16 16 ILE H H 16 7.615 7.895 -0.280 1 1 189 . 12 1 1 A 16 16 ILE HA H 16 3.353 3.718 -0.365 1 1 199 . 12 1 1 A 16 16 ILE C C 16 177.618 177.568 0.050 1 1 200 . 12 1 1 A 16 16 ILE CA C 16 62.996 64.802 -1.806 1 1 201 . 12 1 1 A 16 16 ILE CB C 16 35.856 37.337 -1.481 1 1 205 . 12 1 1 A 16 16 ILE N N 16 119.875 125.341 -5.466 1 1 206 . 12 1 1 A 17 17 GLU H H 17 8.844 8.295 0.549 1 1 207 . 12 1 1 A 17 17 GLU HA H 17 3.887 3.851 0.036 1 1 212 . 12 1 1 A 17 17 GLU C C 17 179.739 179.429 0.310 1 1 213 . 12 1 1 A 17 17 GLU CA C 17 60.364 59.853 0.511 1 1 214 . 12 1 1 A 17 17 GLU CB C 17 28.670 29.162 -0.492 1 1 216 . 12 1 1 A 17 17 GLU N N 17 120.080 120.583 -0.503 1 1 217 . 12 1 1 A 18 18 ASN H H 18 7.768 8.372 -0.604 1 1 218 . 12 1 1 A 18 18 ASN HA H 18 4.535 4.446 0.089 1 1 223 . 12 1 1 A 18 18 ASN C C 18 178.197 177.971 0.226 1 1 224 . 12 1 1 A 18 18 ASN CA C 18 55.682 56.143 -0.461 1 1 225 . 12 1 1 A 18 18 ASN CB C 18 37.615 37.889 -0.274 1 1 226 . 12 1 1 A 18 18 ASN N N 18 116.056 118.880 -2.824 1 1 228 . 12 1 1 A 19 19 ALA H H 19 7.989 7.509 0.480 1 1 229 . 12 1 1 A 19 19 ALA HA H 19 3.870 4.050 -0.180 1 1 233 . 12 1 1 A 19 19 ALA C C 19 178.732 179.967 -1.235 1 1 234 . 12 1 1 A 19 19 ALA CA C 19 55.543 55.070 0.473 1 1 235 . 12 1 1 A 19 19 ALA CB C 19 18.362 18.192 0.170 1 1 236 . 12 1 1 A 19 19 ALA N N 19 123.900 122.451 1.449 1 1 237 . 12 1 1 A 20 20 LEU H H 20 8.589 8.599 -0.010 1 1 238 . 12 1 1 A 20 20 LEU HA H 20 3.856 3.733 0.123 1 1 248 . 12 1 1 A 20 20 LEU C C 20 179.139 179.195 -0.056 1 1 249 . 12 1 1 A 20 20 LEU CA C 20 58.169 58.102 0.067 1 1 250 . 12 1 1 A 20 20 LEU CB C 20 41.569 41.569 0.000 1 1 254 . 12 1 1 A 20 20 LEU N N 20 117.052 118.072 -1.020 1 1 255 . 12 1 1 A 21 21 GLN H H 21 7.439 8.442 -1.003 1 1 256 . 12 1 1 A 21 21 GLN HA H 21 4.029 4.007 0.022 1 1 263 . 12 1 1 A 21 21 GLN C C 21 178.411 177.920 0.491 1 1 264 . 12 1 1 A 21 21 GLN CA C 21 58.730 58.541 0.189 1 1 265 . 12 1 1 A 21 21 GLN CB C 21 28.002 27.767 0.235 1 1 267 . 12 1 1 A 21 21 GLN N N 21 118.218 117.296 0.922 1 1 269 . 12 1 1 A 22 22 ALA H H 22 7.848 7.874 -0.026 1 1 270 . 12 1 1 A 22 22 ALA HA H 22 4.191 4.107 0.084 1 1 274 . 12 1 1 A 22 22 ALA C C 22 181.475 180.224 1.251 1 1 275 . 12 1 1 A 22 22 ALA CA C 22 54.631 55.010 -0.379 1 1 276 . 12 1 1 A 22 22 ALA CB C 22 17.907 18.608 -0.701 1 1 277 . 12 1 1 A 22 22 ALA N N 22 121.474 122.048 -0.574 1 1 278 . 12 1 1 A 23 23 LEU H H 23 8.751 8.180 0.571 1 1 279 . 12 1 1 A 23 23 LEU HA H 23 3.906 3.877 0.029 1 1 289 . 12 1 1 A 23 23 LEU C C 23 177.996 179.706 -1.710 1 1 290 . 12 1 1 A 23 23 LEU CA C 23 58.155 58.145 0.010 1 1 291 . 12 1 1 A 23 23 LEU CB C 23 42.020 41.317 0.703 1 1 295 . 12 1 1 A 23 23 LEU N N 23 122.246 120.070 2.176 1 1 296 . 12 1 1 A 24 24 GLU H H 24 8.247 8.305 -0.058 1 1 297 . 12 1 1 A 24 24 GLU HA H 24 3.971 4.028 -0.057 1 1 302 . 12 1 1 A 24 24 GLU C C 24 179.751 178.480 1.271 1 1 303 . 12 1 1 A 24 24 GLU CA C 24 59.506 58.954 0.552 1 1 304 . 12 1 1 A 24 24 GLU CB C 24 28.849 28.838 0.011 1 1 306 . 12 1 1 A 24 24 GLU N N 24 119.875 118.235 1.640 1 1 307 . 12 1 1 A 25 25 GLU H H 25 7.736 8.029 -0.293 1 1 308 . 12 1 1 A 25 25 GLU HA H 25 4.013 4.018 -0.005 1 1 313 . 12 1 1 A 25 25 GLU C C 25 179.204 179.207 -0.003 1 1 314 . 12 1 1 A 25 25 GLU CA C 25 59.058 59.249 -0.191 1 1 315 . 12 1 1 A 25 25 GLU CB C 25 29.238 29.431 -0.193 1 1 317 . 12 1 1 A 25 25 GLU N N 25 118.451 119.834 -1.383 1 1 318 . 12 1 1 A 26 26 PHE H H 26 8.389 8.558 -0.169 1 1 319 . 12 1 1 A 26 26 PHE HA H 26 4.218 4.071 0.147 1 1 327 . 12 1 1 A 26 26 PHE C C 26 178.732 177.147 1.585 1 1 328 . 12 1 1 A 26 26 PHE CA C 26 61.020 61.072 -0.052 1 1 329 . 12 1 1 A 26 26 PHE CB C 26 39.383 39.240 0.143 1 1 333 . 12 1 1 A 26 26 PHE N N 26 122.243 121.888 0.355 1 1 334 . 12 1 1 A 27 27 LEU H H 27 8.643 8.149 0.494 1 1 335 . 12 1 1 A 27 27 LEU HA H 27 3.666 3.776 -0.110 1 1 345 . 12 1 1 A 27 27 LEU C C 27 179.172 178.300 0.872 1 1 346 . 12 1 1 A 27 27 LEU CA C 27 57.728 57.369 0.359 1 1 347 . 12 1 1 A 27 27 LEU CB C 27 42.008 41.344 0.664 1 1 351 . 12 1 1 A 27 27 LEU N N 27 119.374 118.782 0.592 1 1 352 . 12 1 1 A 28 28 GLN H H 28 7.536 7.696 -0.160 1 1 353 . 12 1 1 A 28 28 GLN HA H 28 4.215 4.143 0.072 1 1 360 . 12 1 1 A 28 28 GLN C C 28 177.261 176.845 0.416 1 1 361 . 12 1 1 A 28 28 GLN CA C 28 57.287 57.625 -0.338 1 1 362 . 12 1 1 A 28 28 GLN CB C 28 28.832 28.686 0.146 1 1 364 . 12 1 1 A 28 28 GLN N N 28 116.095 117.198 -1.103 1 1 366 . 12 1 1 A 29 29 THR H H 29 7.480 7.954 -0.474 1 1 367 . 12 1 1 A 29 29 THR HA H 29 4.332 4.389 -0.057 1 1 372 . 12 1 1 A 29 29 THR C C 29 174.092 174.633 -0.541 1 1 373 . 12 1 1 A 29 29 THR CA C 29 62.533 62.652 -0.119 1 1 374 . 12 1 1 A 29 29 THR CB C 29 70.435 69.499 0.936 1 1 376 . 12 1 1 A 29 29 THR N N 29 108.609 109.304 -0.695 1 1 377 . 12 1 1 A 30 30 GLU H H 30 7.935 7.249 0.686 1 1 378 . 12 1 1 A 30 30 GLU HA H 30 4.221 4.627 -0.406 1 1 383 . 12 1 1 A 30 30 GLU CA C 30 54.719 53.915 0.804 1 1 384 . 12 1 1 A 30 30 GLU CB C 30 28.002 29.732 -1.730 1 1 386 . 12 1 1 A 30 30 GLU N N 30 119.400 120.599 -1.199 1 1 387 . 12 1 1 A 31 31 PRO HA H 31 4.430 4.277 0.153 1 1 394 . 12 1 1 A 31 31 PRO C C 31 177.447 177.436 0.011 1 1 395 . 12 1 1 A 31 31 PRO CA C 31 62.992 64.604 -1.612 1 1 396 . 12 1 1 A 31 31 PRO CB C 31 32.354 31.942 0.412 1 1 399 . 12 1 1 A 32 32 VAL H H 32 7.989 7.814 0.175 1 1 400 . 12 1 1 A 32 32 VAL HA H 32 4.211 3.902 0.309 1 1 408 . 12 1 1 A 32 32 VAL C C 32 176.778 177.174 -0.396 1 1 409 . 12 1 1 A 32 32 VAL CA C 32 62.755 64.793 -2.038 1 1 410 . 12 1 1 A 32 32 VAL CB C 32 32.697 31.438 1.259 1 1 412 . 12 1 1 A 32 32 VAL N N 32 118.439 116.491 1.948 1 1 413 . 12 1 1 A 33 33 GLY H H 33 8.764 7.745 1.019 1 1 414 . 12 1 1 A 33 33 GLY HA2 H 33 4.195 4.146 0.049 1 1 415 . 12 1 1 A 33 33 GLY HA3 H 33 4.195 4.282 -0.087 1 1 416 . 12 1 1 A 33 33 GLY C C 33 176.287 175.279 1.008 1 1 417 . 12 1 1 A 33 33 GLY CA C 33 45.917 45.660 0.257 1 1 418 . 12 1 1 A 33 33 GLY N N 33 111.588 108.620 2.968 1 1 419 . 12 1 1 A 34 34 LYS H H 34 8.296 7.500 0.796 1 1 420 . 12 1 1 A 34 34 LYS HA H 34 3.839 4.129 -0.290 1 1 429 . 12 1 1 A 34 34 LYS C C 34 177.040 179.279 -2.239 1 1 430 . 12 1 1 A 34 34 LYS CA C 34 59.883 59.651 0.232 1 1 431 . 12 1 1 A 34 34 LYS CB C 34 32.883 32.057 0.826 1 1 435 . 12 1 1 A 34 34 LYS N N 34 119.887 119.240 0.647 1 1 436 . 12 1 1 A 35 35 ASP H H 35 9.065 8.643 0.422 1 1 437 . 12 1 1 A 35 35 ASP HA H 35 4.362 4.548 -0.186 1 1 440 . 12 1 1 A 35 35 ASP C C 35 177.018 178.514 -1.496 1 1 441 . 12 1 1 A 35 35 ASP CA C 35 57.636 57.288 0.348 1 1 442 . 12 1 1 A 35 35 ASP CB C 35 41.086 39.877 1.209 1 1 443 . 12 1 1 A 35 35 ASP N N 35 115.065 118.538 -3.473 1 1 444 . 12 1 1 A 36 36 GLU H H 36 7.474 8.398 -0.924 1 1 445 . 12 1 1 A 36 36 GLU HA H 36 4.275 4.055 0.220 1 1 450 . 12 1 1 A 36 36 GLU C C 36 178.261 178.623 -0.362 1 1 451 . 12 1 1 A 36 36 GLU CA C 36 59.046 59.895 -0.849 1 1 452 . 12 1 1 A 36 36 GLU CB C 36 29.283 29.322 -0.039 1 1 454 . 12 1 1 A 36 36 GLU N N 36 121.291 120.330 0.961 1 1 455 . 12 1 1 A 37 37 ALA H H 37 7.674 7.812 -0.138 1 1 456 . 12 1 1 A 37 37 ALA HA H 37 3.887 4.022 -0.135 1 1 460 . 12 1 1 A 37 37 ALA C C 37 179.161 179.781 -0.620 1 1 461 . 12 1 1 A 37 37 ALA CA C 37 55.091 55.137 -0.046 1 1 462 . 12 1 1 A 37 37 ALA CB C 37 17.925 18.286 -0.361 1 1 463 . 12 1 1 A 37 37 ALA N N 37 120.365 122.336 -1.971 1 1 464 . 12 1 1 A 38 38 TYR H H 38 8.175 8.672 -0.497 1 1 465 . 12 1 1 A 38 38 TYR HA H 38 4.422 4.350 0.072 1 1 472 . 12 1 1 A 38 38 TYR C C 38 178.497 178.458 0.039 1 1 473 . 12 1 1 A 38 38 TYR CA C 38 62.662 60.913 1.749 1 1 474 . 12 1 1 A 38 38 TYR CB C 38 37.996 37.699 0.297 1 1 477 . 12 1 1 A 38 38 TYR N N 38 117.027 116.239 0.788 1 1 478 . 12 1 1 A 39 39 TYR H H 39 8.321 8.163 0.158 1 1 479 . 12 1 1 A 39 39 TYR HA H 39 4.413 4.432 -0.019 1 1 486 . 12 1 1 A 39 39 TYR C C 39 176.311 177.090 -0.779 1 1 487 . 12 1 1 A 39 39 TYR CA C 39 60.856 61.994 -1.138 1 1 488 . 12 1 1 A 39 39 TYR CB C 39 38.015 38.811 -0.796 1 1 491 . 12 1 1 A 39 39 TYR N N 39 120.527 120.988 -0.461 1 1 492 . 12 1 1 A 40 40 LEU H H 40 8.508 8.130 0.378 1 1 493 . 12 1 1 A 40 40 LEU HA H 40 3.585 3.883 -0.298 1 1 503 . 12 1 1 A 40 40 LEU C C 40 178.857 179.472 -0.615 1 1 504 . 12 1 1 A 40 40 LEU CA C 40 57.723 57.578 0.145 1 1 505 . 12 1 1 A 40 40 LEU CB C 40 41.543 40.936 0.607 1 1 509 . 12 1 1 A 40 40 LEU N N 40 118.925 120.147 -1.222 1 1 510 . 12 1 1 A 41 41 MET H H 41 8.661 8.662 -0.001 1 1 511 . 12 1 1 A 41 41 MET HA H 41 3.611 3.993 -0.382 1 1 519 . 12 1 1 A 41 41 MET C C 41 178.325 178.948 -0.623 1 1 520 . 12 1 1 A 41 41 MET CA C 41 59.498 59.215 0.283 1 1 521 . 12 1 1 A 41 41 MET CB C 41 32.806 32.640 0.166 1 1 524 . 12 1 1 A 41 41 MET N N 41 119.892 117.570 2.322 1 1 525 . 12 1 1 A 42 42 GLY H H 42 8.531 8.453 0.078 1 1 526 . 12 1 1 A 42 42 GLY HA2 H 42 3.564 2.849 0.715 1 1 527 . 12 1 1 A 42 42 GLY HA3 H 42 3.164 3.645 -0.481 1 1 528 . 12 1 1 A 42 42 GLY C C 42 174.726 175.498 -0.772 1 1 529 . 12 1 1 A 42 42 GLY CA C 42 48.104 46.953 1.151 1 1 530 . 12 1 1 A 42 42 GLY N N 42 107.064 108.647 -1.583 1 1 531 . 12 1 1 A 43 43 ASN H H 43 8.260 7.929 0.331 1 1 532 . 12 1 1 A 43 43 ASN HA H 43 4.334 4.524 -0.190 1 1 537 . 12 1 1 A 43 43 ASN C C 43 178.111 177.540 0.571 1 1 538 . 12 1 1 A 43 43 ASN CA C 43 54.966 56.485 -1.519 1 1 539 . 12 1 1 A 43 43 ASN CB C 43 36.326 38.995 -2.669 1 1 540 . 12 1 1 A 43 43 ASN N N 43 120.815 119.484 1.331 1 1 542 . 12 1 1 A 44 44 ALA H H 44 8.487 7.983 0.504 1 1 543 . 12 1 1 A 44 44 ALA HA H 44 3.788 3.958 -0.170 1 1 547 . 12 1 1 A 44 44 ALA C C 44 178.389 179.568 -1.179 1 1 548 . 12 1 1 A 44 44 ALA CA C 44 55.152 54.990 0.162 1 1 549 . 12 1 1 A 44 44 ALA CB C 44 16.897 18.066 -1.169 1 1 550 . 12 1 1 A 44 44 ALA N N 44 125.304 122.248 3.056 1 1 551 . 12 1 1 A 45 45 TYR H H 45 8.160 8.146 0.014 1 1 552 . 12 1 1 A 45 45 TYR HA H 45 4.168 4.243 -0.075 1 1 559 . 12 1 1 A 45 45 TYR C C 45 178.775 178.063 0.712 1 1 560 . 12 1 1 A 45 45 TYR CA C 45 62.995 61.661 1.334 1 1 561 . 12 1 1 A 45 45 TYR CB C 45 36.944 37.534 -0.590 1 1 564 . 12 1 1 A 45 45 TYR N N 45 115.156 116.091 -0.935 1 1 565 . 12 1 1 A 46 46 ARG H H 46 8.901 8.131 0.770 1 1 566 . 12 1 1 A 46 46 ARG HA H 46 3.677 3.635 0.042 1 1 573 . 12 1 1 A 46 46 ARG C C 46 179.396 179.215 0.181 1 1 574 . 12 1 1 A 46 46 ARG CA C 46 59.924 59.424 0.500 1 1 575 . 12 1 1 A 46 46 ARG CB C 46 30.131 29.618 0.513 1 1 578 . 12 1 1 A 46 46 ARG N N 46 121.781 121.135 0.646 1 1 579 . 12 1 1 A 47 47 LYS H H 47 7.813 7.545 0.268 1 1 580 . 12 1 1 A 47 47 LYS HA H 47 4.058 4.026 0.032 1 1 589 . 12 1 1 A 47 47 LYS C C 47 178.111 178.727 -0.616 1 1 590 . 12 1 1 A 47 47 LYS CA C 47 58.950 58.228 0.722 1 1 591 . 12 1 1 A 47 47 LYS CB C 47 31.906 32.326 -0.420 1 1 595 . 12 1 1 A 47 47 LYS N N 47 120.818 118.604 2.214 1 1 596 . 12 1 1 A 48 48 LEU H H 48 7.312 7.262 0.050 1 1 597 . 12 1 1 A 48 48 LEU HA H 48 4.228 4.065 0.163 1 1 607 . 12 1 1 A 48 48 LEU C C 48 177.254 177.081 0.173 1 1 608 . 12 1 1 A 48 48 LEU CA C 48 54.908 55.943 -1.035 1 1 609 . 12 1 1 A 48 48 LEU CB C 48 42.475 43.026 -0.551 1 1 613 . 12 1 1 A 48 48 LEU N N 48 116.553 117.769 -1.216 1 1 614 . 12 1 1 A 49 49 GLY H H 49 7.564 7.710 -0.146 1 1 615 . 12 1 1 A 49 49 GLY HA2 H 49 3.607 3.596 0.011 1 1 616 . 12 1 1 A 49 49 GLY HA3 H 49 2.316 3.845 -1.529 1 1 617 . 12 1 1 A 49 49 GLY C C 49 172.900 173.447 -0.547 1 1 618 . 12 1 1 A 49 49 GLY CA C 49 44.184 45.230 -1.046 1 1 619 . 12 1 1 A 49 49 GLY N N 49 107.326 106.132 1.194 1 1 620 . 12 1 1 A 50 50 ASP H H 50 7.670 8.011 -0.341 1 1 621 . 12 1 1 A 50 50 ASP HA H 50 4.564 4.757 -0.193 1 1 624 . 12 1 1 A 50 50 ASP C C 50 175.681 175.995 -0.314 1 1 625 . 12 1 1 A 50 50 ASP CA C 50 51.083 52.556 -1.473 1 1 626 . 12 1 1 A 50 50 ASP CB C 50 39.169 41.167 -1.998 1 1 627 . 12 1 1 A 50 50 ASP N N 50 120.356 119.911 0.445 1 1 628 . 12 1 1 A 51 51 TRP H H 51 6.939 8.223 -1.284 1 1 629 . 12 1 1 A 51 51 TRP HA H 51 4.314 4.453 -0.139 1 1 638 . 12 1 1 A 51 51 TRP C C 51 178.047 178.833 -0.786 1 1 639 . 12 1 1 A 51 51 TRP CA C 51 58.473 59.829 -1.356 1 1 640 . 12 1 1 A 51 51 TRP CB C 51 30.099 29.128 0.971 1 1 646 . 12 1 1 A 51 51 TRP N N 51 121.784 125.177 -3.393 1 1 648 . 12 1 1 A 52 52 GLN H H 52 8.677 8.599 0.078 1 1 649 . 12 1 1 A 52 52 GLN HA H 52 3.960 3.998 -0.038 1 1 656 . 12 1 1 A 52 52 GLN C C 52 178.454 178.119 0.335 1 1 657 . 12 1 1 A 52 52 GLN CA C 52 58.925 58.609 0.316 1 1 658 . 12 1 1 A 52 52 GLN CB C 52 28.183 28.695 -0.512 1 1 660 . 12 1 1 A 52 52 GLN N N 52 117.018 120.991 -3.973 1 1 662 . 12 1 1 A 53 53 LYS H H 53 7.392 8.152 -0.760 1 1 663 . 12 1 1 A 53 53 LYS HA H 53 3.774 3.770 0.004 1 1 672 . 12 1 1 A 53 53 LYS C C 53 180.361 178.783 1.578 1 1 673 . 12 1 1 A 53 53 LYS CA C 53 59.764 58.981 0.783 1 1 674 . 12 1 1 A 53 53 LYS CB C 53 30.802 31.553 -0.751 1 1 678 . 12 1 1 A 53 53 LYS N N 53 117.913 118.626 -0.713 1 1 679 . 12 1 1 A 54 54 ALA H H 54 8.223 7.566 0.657 1 1 680 . 12 1 1 A 54 54 ALA HA H 54 4.012 3.859 0.153 1 1 684 . 12 1 1 A 54 54 ALA C C 54 177.635 179.990 -2.355 1 1 685 . 12 1 1 A 54 54 ALA CA C 54 55.792 55.096 0.696 1 1 686 . 12 1 1 A 54 54 ALA CB C 54 17.045 18.588 -1.543 1 1 687 . 12 1 1 A 54 54 ALA N N 54 123.665 121.725 1.940 1 1 688 . 12 1 1 A 55 55 LEU H H 55 8.425 8.765 -0.340 1 1 689 . 12 1 1 A 55 55 LEU HA H 55 4.010 4.083 -0.073 1 1 699 . 12 1 1 A 55 55 LEU C C 55 179.568 179.304 0.264 1 1 700 . 12 1 1 A 55 55 LEU CA C 55 58.611 58.242 0.369 1 1 701 . 12 1 1 A 55 55 LEU CB C 55 41.500 41.310 0.190 1 1 705 . 12 1 1 A 55 55 LEU N N 55 116.583 118.188 -1.605 1 1 706 . 12 1 1 A 56 56 ASN H H 56 8.284 8.266 0.018 1 1 707 . 12 1 1 A 56 56 ASN HA H 56 4.360 4.437 -0.077 1 1 712 . 12 1 1 A 56 56 ASN C C 56 177.790 178.320 -0.530 1 1 713 . 12 1 1 A 56 56 ASN CA C 56 55.852 56.173 -0.321 1 1 714 . 12 1 1 A 56 56 ASN CB C 56 37.882 37.995 -0.113 1 1 715 . 12 1 1 A 56 56 ASN N N 56 117.763 118.246 -0.483 1 1 717 . 12 1 1 A 57 57 ASN H H 57 7.600 8.130 -0.530 1 1 718 . 12 1 1 A 57 57 ASN HA H 57 4.425 4.393 0.032 1 1 723 . 12 1 1 A 57 57 ASN C C 57 177.404 177.953 -0.549 1 1 724 . 12 1 1 A 57 57 ASN CA C 57 58.105 56.378 1.727 1 1 725 . 12 1 1 A 57 57 ASN CB C 57 38.931 38.254 0.677 1 1 726 . 12 1 1 A 57 57 ASN N N 57 118.927 117.822 1.105 1 1 728 . 12 1 1 A 58 58 TYR H H 58 8.838 8.279 0.559 1 1 729 . 12 1 1 A 58 58 TYR HA H 58 4.667 4.396 0.271 1 1 736 . 12 1 1 A 58 58 TYR C C 58 178.047 178.354 -0.307 1 1 737 . 12 1 1 A 58 58 TYR CA C 58 58.430 61.811 -3.381 1 1 738 . 12 1 1 A 58 58 TYR CB C 58 36.743 38.186 -1.443 1 1 741 . 12 1 1 A 58 58 TYR N N 58 118.473 119.077 -0.604 1 1 742 . 12 1 1 A 59 59 GLN H H 59 8.572 8.317 0.255 1 1 743 . 12 1 1 A 59 59 GLN HA H 59 4.022 3.998 0.024 1 1 750 . 12 1 1 A 59 59 GLN C C 59 178.040 178.129 -0.089 1 1 751 . 12 1 1 A 59 59 GLN CA C 59 59.054 58.844 0.210 1 1 752 . 12 1 1 A 59 59 GLN CB C 59 27.126 28.332 -1.206 1 1 754 . 12 1 1 A 59 59 GLN N N 59 118.483 120.805 -2.322 1 1 756 . 12 1 1 A 60 60 SER H H 60 7.696 8.074 -0.378 1 1 757 . 12 1 1 A 60 60 SER HA H 60 3.931 3.972 -0.041 1 1 760 . 12 1 1 A 60 60 SER C C 60 175.926 176.106 -0.180 1 1 761 . 12 1 1 A 60 60 SER CA C 60 62.121 61.548 0.573 1 1 762 . 12 1 1 A 60 60 SER CB C 60 61.244 62.228 -0.984 1 1 763 . 12 1 1 A 60 60 SER N N 60 116.103 116.806 -0.703 1 1 764 . 12 1 1 A 61 61 ALA H H 61 7.739 7.557 0.182 1 1 765 . 12 1 1 A 61 61 ALA HA H 61 4.075 4.253 -0.178 1 1 769 . 12 1 1 A 61 61 ALA C C 61 178.686 179.933 -1.247 1 1 770 . 12 1 1 A 61 61 ALA CA C 61 56.019 55.025 0.994 1 1 771 . 12 1 1 A 61 61 ALA CB C 61 18.790 18.568 0.222 1 1 772 . 12 1 1 A 61 61 ALA N N 61 122.319 122.933 -0.614 1 1 773 . 12 1 1 A 62 62 ILE H H 62 7.991 7.965 0.026 1 1 774 . 12 1 1 A 62 62 ILE HA H 62 3.857 3.861 -0.004 1 1 784 . 12 1 1 A 62 62 ILE C C 62 178.131 178.136 -0.005 1 1 785 . 12 1 1 A 62 62 ILE CA C 62 63.418 64.798 -1.380 1 1 786 . 12 1 1 A 62 62 ILE CB C 62 39.119 37.154 1.965 1 1 790 . 12 1 1 A 62 62 ILE N N 62 117.981 118.437 -0.456 1 1 791 . 12 1 1 A 63 63 GLU H H 63 7.988 8.444 -0.456 1 1 792 . 12 1 1 A 63 63 GLU HA H 63 3.902 3.996 -0.094 1 1 797 . 12 1 1 A 63 63 GLU C C 63 178.564 179.610 -1.046 1 1 798 . 12 1 1 A 63 63 GLU CA C 63 58.594 59.233 -0.639 1 1 799 . 12 1 1 A 63 63 GLU CB C 63 29.278 29.485 -0.207 1 1 801 . 12 1 1 A 63 63 GLU N N 63 118.190 121.945 -3.755 1 1 802 . 12 1 1 A 64 64 LEU H H 64 7.024 7.332 -0.308 1 1 803 . 12 1 1 A 64 64 LEU HA H 64 4.347 4.208 0.139 1 1 813 . 12 1 1 A 64 64 LEU C C 64 177.496 177.160 0.336 1 1 814 . 12 1 1 A 64 64 LEU CA C 64 55.810 56.535 -0.725 1 1 815 . 12 1 1 A 64 64 LEU CB C 64 43.746 43.170 0.576 1 1 819 . 12 1 1 A 64 64 LEU N N 64 116.109 119.436 -3.327 1 1 820 . 12 1 1 A 65 65 ASN H H 65 8.270 8.015 0.255 1 1 821 . 12 1 1 A 65 65 ASN HA H 65 5.068 5.105 -0.037 1 1 826 . 12 1 1 A 65 65 ASN C C 65 172.512 174.208 -1.696 1 1 827 . 12 1 1 A 65 65 ASN CA C 65 49.457 50.868 -1.411 1 1 828 . 12 1 1 A 65 65 ASN CB C 65 38.936 41.125 -2.189 1 1 829 . 12 1 1 A 65 65 ASN N N 65 116.544 113.927 2.617 1 1 831 . 12 1 1 A 66 66 PRO HA H 66 4.467 4.440 0.027 1 1 838 . 12 1 1 A 66 66 PRO C C 66 176.054 176.289 -0.235 1 1 839 . 12 1 1 A 66 66 PRO CA C 66 63.894 63.933 -0.039 1 1 840 . 12 1 1 A 66 66 PRO CB C 66 31.935 31.465 0.470 1 1 843 . 12 1 1 A 67 67 ASP H H 67 7.326 8.247 -0.921 1 1 844 . 12 1 1 A 67 67 ASP HA H 67 4.863 4.931 -0.068 1 1 847 . 12 1 1 A 67 67 ASP C C 67 175.647 175.412 0.235 1 1 848 . 12 1 1 A 67 67 ASP CA C 67 53.273 53.040 0.233 1 1 849 . 12 1 1 A 67 67 ASP CB C 67 41.453 41.394 0.059 1 1 850 . 12 1 1 A 67 67 ASP N N 67 114.579 118.311 -3.732 1 1 851 . 12 1 1 A 68 68 SER H H 68 7.670 7.326 0.344 1 1 852 . 12 1 1 A 68 68 SER HA H 68 4.315 4.561 -0.246 1 1 856 . 12 1 1 A 68 68 SER C C 68 175.108 174.855 0.253 1 1 857 . 12 1 1 A 68 68 SER CA C 68 56.422 56.228 0.194 1 1 858 . 12 1 1 A 68 68 SER CB C 68 63.880 63.401 0.479 1 1 859 . 12 1 1 A 68 68 SER N N 68 115.624 116.845 -1.221 1 1 860 . 12 1 1 A 69 69 PRO HA H 69 4.588 4.667 -0.079 1 1 867 . 12 1 1 A 69 69 PRO C C 69 177.083 177.279 -0.196 1 1 868 . 12 1 1 A 69 69 PRO CA C 69 63.870 64.272 -0.402 1 1 869 . 12 1 1 A 69 69 PRO CB C 69 30.612 31.445 -0.833 1 1 872 . 12 1 1 A 70 70 ALA H H 70 8.442 7.990 0.452 1 1 873 . 12 1 1 A 70 70 ALA HA H 70 3.679 4.481 -0.802 1 1 877 . 12 1 1 A 70 70 ALA C C 70 177.667 179.869 -2.202 1 1 878 . 12 1 1 A 70 70 ALA CA C 70 54.025 54.440 -0.415 1 1 879 . 12 1 1 A 70 70 ALA CB C 70 20.741 18.949 1.792 1 1 880 . 12 1 1 A 70 70 ALA N N 70 121.749 120.205 1.544 1 1 881 . 12 1 1 A 71 71 LEU H H 71 7.956 7.950 0.006 1 1 882 . 12 1 1 A 71 71 LEU HA H 71 3.883 3.832 0.051 1 1 892 . 12 1 1 A 71 71 LEU C C 71 179.241 179.355 -0.114 1 1 893 . 12 1 1 A 71 71 LEU CA C 71 58.602 58.155 0.447 1 1 894 . 12 1 1 A 71 71 LEU CB C 71 41.987 41.597 0.390 1 1 898 . 12 1 1 A 71 71 LEU N N 71 119.448 119.013 0.435 1 1 899 . 12 1 1 A 72 72 GLN H H 72 7.464 8.252 -0.788 1 1 900 . 12 1 1 A 72 72 GLN HA H 72 4.049 3.998 0.051 1 1 907 . 12 1 1 A 72 72 GLN C C 72 178.432 178.543 -0.111 1 1 908 . 12 1 1 A 72 72 GLN CA C 72 58.626 58.817 -0.191 1 1 909 . 12 1 1 A 72 72 GLN CB C 72 27.557 28.359 -0.802 1 1 911 . 12 1 1 A 72 72 GLN N N 72 117.976 117.650 0.326 1 1 913 . 12 1 1 A 73 73 ALA H H 73 7.296 8.095 -0.799 1 1 914 . 12 1 1 A 73 73 ALA HA H 73 4.017 3.966 0.051 1 1 918 . 12 1 1 A 73 73 ALA C C 73 178.775 179.408 -0.633 1 1 919 . 12 1 1 A 73 73 ALA CA C 73 54.688 54.971 -0.283 1 1 920 . 12 1 1 A 73 73 ALA CB C 73 17.473 17.897 -0.424 1 1 921 . 12 1 1 A 73 73 ALA N N 73 123.083 122.662 0.421 1 1 922 . 12 1 1 A 74 74 ARG H H 74 8.328 8.038 0.290 1 1 923 . 12 1 1 A 74 74 ARG HA H 74 3.820 3.955 -0.135 1 1 931 . 12 1 1 A 74 74 ARG C C 74 177.297 179.112 -1.815 1 1 932 . 12 1 1 A 74 74 ARG CA C 74 59.805 59.479 0.326 1 1 933 . 12 1 1 A 74 74 ARG CB C 74 29.773 29.811 -0.038 1 1 936 . 12 1 1 A 74 74 ARG N N 74 117.535 118.063 -0.528 1 1 938 . 12 1 1 A 75 75 LYS H H 75 7.123 8.025 -0.902 1 1 939 . 12 1 1 A 75 75 LYS HA H 75 3.960 3.996 -0.036 1 1 948 . 12 1 1 A 75 75 LYS C C 75 178.071 179.458 -1.387 1 1 949 . 12 1 1 A 75 75 LYS CA C 75 59.488 59.127 0.361 1 1 950 . 12 1 1 A 75 75 LYS CB C 75 31.928 32.228 -0.300 1 1 954 . 12 1 1 A 75 75 LYS N N 75 119.136 118.483 0.653 1 1 955 . 12 1 1 A 76 76 MET H H 76 7.673 7.994 -0.321 1 1 956 . 12 1 1 A 76 76 MET HA H 76 4.205 4.164 0.041 1 1 964 . 12 1 1 A 76 76 MET C C 76 178.925 178.769 0.156 1 1 965 . 12 1 1 A 76 76 MET CA C 76 58.637 58.236 0.401 1 1 966 . 12 1 1 A 76 76 MET CB C 76 32.344 31.771 0.573 1 1 969 . 12 1 1 A 76 76 MET N N 76 116.794 118.441 -1.647 1 1 970 . 12 1 1 A 77 77 VAL H H 77 7.928 8.097 -0.169 1 1 971 . 12 1 1 A 77 77 VAL HA H 77 3.601 3.541 0.060 1 1 979 . 12 1 1 A 77 77 VAL C C 77 177.318 177.843 -0.525 1 1 980 . 12 1 1 A 77 77 VAL CA C 77 66.468 66.767 -0.299 1 1 981 . 12 1 1 A 77 77 VAL CB C 77 31.477 31.735 -0.258 1 1 984 . 12 1 1 A 77 77 VAL N N 77 117.999 120.638 -2.639 1 1 985 . 12 1 1 A 78 78 MET H H 78 8.446 8.248 0.198 1 1 986 . 12 1 1 A 78 78 MET HA H 78 4.136 4.193 -0.057 1 1 994 . 12 1 1 A 78 78 MET C C 78 178.542 178.254 0.288 1 1 995 . 12 1 1 A 78 78 MET CA C 78 58.514 58.980 -0.466 1 1 996 . 12 1 1 A 78 78 MET CB C 78 31.036 32.508 -1.472 1 1 999 . 12 1 1 A 78 78 MET N N 78 119.079 117.555 1.524 1 1 1000 . 12 1 1 A 79 79 ASP H H 79 8.202 8.167 0.035 1 1 1001 . 12 1 1 A 79 79 ASP HA H 79 4.419 4.347 0.072 1 1 1004 . 12 1 1 A 79 79 ASP C C 79 179.097 178.478 0.619 1 1 1005 . 12 1 1 A 79 79 ASP CA C 79 57.277 57.582 -0.305 1 1 1006 . 12 1 1 A 79 79 ASP CB C 79 39.813 41.160 -1.347 1 1 1007 . 12 1 1 A 79 79 ASP N N 79 119.422 120.103 -0.681 1 1 1008 . 12 1 1 A 80 80 ILE H H 80 7.625 7.662 -0.037 1 1 1009 . 12 1 1 A 80 80 ILE HA H 80 3.643 3.364 0.279 1 1 1019 . 12 1 1 A 80 80 ILE C C 80 178.024 178.262 -0.238 1 1 1020 . 12 1 1 A 80 80 ILE CA C 80 64.717 65.437 -0.720 1 1 1021 . 12 1 1 A 80 80 ILE CB C 80 37.661 37.697 -0.036 1 1 1025 . 12 1 1 A 80 80 ILE N N 80 121.750 119.660 2.090 1 1 1026 . 12 1 1 A 81 81 LEU H H 81 8.071 8.198 -0.127 1 1 1027 . 12 1 1 A 81 81 LEU HA H 81 3.908 3.862 0.046 1 1 1037 . 12 1 1 A 81 81 LEU C C 81 178.852 178.736 0.116 1 1 1038 . 12 1 1 A 81 81 LEU CA C 81 57.329 58.090 -0.761 1 1 1039 . 12 1 1 A 81 81 LEU CB C 81 41.544 40.386 1.158 1 1 1043 . 12 1 1 A 81 81 LEU N N 81 119.850 118.682 1.168 1 1 1044 . 12 1 1 A 82 82 ASN H H 82 8.188 8.492 -0.304 1 1 1045 . 12 1 1 A 82 82 ASN HA H 82 4.417 3.556 0.861 1 1 1050 . 12 1 1 A 82 82 ASN C C 82 176.440 177.245 -0.805 1 1 1051 . 12 1 1 A 82 82 ASN CA C 82 55.011 55.927 -0.916 1 1 1052 . 12 1 1 A 82 82 ASN CB C 82 38.461 38.841 -0.380 1 1 1053 . 12 1 1 A 82 82 ASN N N 82 116.186 117.478 -1.292 1 1 1055 . 12 1 1 A 83 83 PHE H H 83 7.779 7.813 -0.034 1 1 1056 . 12 1 1 A 83 83 PHE HA H 83 4.352 4.036 0.316 1 1 1064 . 12 1 1 A 83 83 PHE C C 83 176.767 176.645 0.122 1 1 1065 . 12 1 1 A 83 83 PHE CA C 83 59.557 60.858 -1.301 1 1 1066 . 12 1 1 A 83 83 PHE CB C 83 38.944 38.683 0.261 1 1 1070 . 12 1 1 A 83 83 PHE N N 83 118.925 119.531 -0.606 1 1 1071 . 12 1 1 A 84 84 TYR H H 84 8.057 7.308 0.749 1 1 1072 . 12 1 1 A 84 84 TYR HA H 84 4.388 4.407 -0.019 1 1 1079 . 12 1 1 A 84 84 TYR C C 84 176.233 175.508 0.725 1 1 1080 . 12 1 1 A 84 84 TYR CA C 84 59.261 59.584 -0.323 1 1 1081 . 12 1 1 A 84 84 TYR CB C 84 38.503 39.738 -1.235 1 1 1084 . 12 1 1 A 84 84 TYR N N 84 118.223 115.335 2.888 1 1 1085 . 12 1 1 A 85 85 ASN H H 85 8.192 8.334 -0.142 1 1 1086 . 12 1 1 A 85 85 ASN HA H 85 4.679 5.171 -0.492 1 1 1091 . 12 1 1 A 85 85 ASN C C 85 175.367 174.450 0.917 1 1 1092 . 12 1 1 A 85 85 ASN CA C 85 53.261 51.588 1.673 1 1 1093 . 12 1 1 A 85 85 ASN CB C 85 38.501 41.362 -2.861 1 1 1094 . 12 1 1 A 85 85 ASN N N 85 118.935 116.132 2.803 1 1 1096 . 12 1 1 A 86 86 LYS H H 86 8.151 8.654 -0.503 1 1 1097 . 12 1 1 A 86 86 LYS HA H 86 4.151 4.648 -0.497 1 1 1106 . 12 1 1 A 86 86 LYS C C 86 176.981 177.355 -0.374 1 1 1107 . 12 1 1 A 86 86 LYS CA C 86 57.714 56.427 1.287 1 1 1108 . 12 1 1 A 86 86 LYS CB C 86 32.368 33.868 -1.500 1 1 1112 . 12 1 1 A 86 86 LYS N N 86 121.533 125.030 -3.497 1 1 1113 . 12 1 1 A 87 87 ASP H H 87 8.269 8.653 -0.384 1 1 1114 . 12 1 1 A 87 87 ASP HA H 87 4.553 4.338 0.215 1 1 1117 . 12 1 1 A 87 87 ASP C C 87 177.209 178.349 -1.140 1 1 1118 . 12 1 1 A 87 87 ASP CA C 87 55.538 57.485 -1.947 1 1 1119 . 12 1 1 A 87 87 ASP CB C 87 40.677 41.745 -1.068 1 1 1120 . 12 1 1 A 87 87 ASP N N 87 119.408 119.852 -0.444 1 1 1121 . 12 1 1 A 88 88 MET H H 88 7.941 8.147 -0.206 1 1 1122 . 12 1 1 A 88 88 MET HA H 88 4.257 4.494 -0.237 1 1 1130 . 12 1 1 A 88 88 MET C C 88 176.851 176.030 0.821 1 1 1131 . 12 1 1 A 88 88 MET CA C 88 56.461 55.934 0.527 1 1 1132 . 12 1 1 A 88 88 MET CB C 88 32.371 32.667 -0.296 1 1 1135 . 12 1 1 A 88 88 MET N N 88 119.377 115.956 3.421 1 1 1136 . 12 1 1 A 89 89 TYR H H 89 8.094 7.876 0.218 1 1 1137 . 12 1 1 A 89 89 TYR HA H 89 4.350 4.272 0.078 1 1 1144 . 12 1 1 A 89 89 TYR C C 89 176.252 176.491 -0.239 1 1 1145 . 12 1 1 A 89 89 TYR CA C 89 59.097 60.036 -0.939 1 1 1146 . 12 1 1 A 89 89 TYR CB C 89 38.051 38.919 -0.868 1 1 1149 . 12 1 1 A 89 89 TYR N N 89 119.418 122.437 -3.019 1 1 1150 . 12 1 1 A 90 90 ASN H H 90 8.244 8.058 0.186 1 1 1151 . 12 1 1 A 90 90 ASN HA H 90 4.573 4.204 0.369 1 1 1156 . 12 1 1 A 90 90 ASN C C 90 175.907 175.731 0.176 1 1 1157 . 12 1 1 A 90 90 ASN CA C 90 53.867 54.992 -1.125 1 1 1158 . 12 1 1 A 90 90 ASN CB C 90 38.479 36.666 1.813 1 1 1159 . 12 1 1 A 90 90 ASN N N 90 118.918 119.215 -0.297 1 1 1161 . 12 1 1 A 91 91 GLN H H 91 8.176 8.102 0.074 1 1 1162 . 12 1 1 A 91 91 GLN HA H 91 4.216 4.076 0.140 1 1 1169 . 12 1 1 A 91 91 GLN C C 91 176.568 177.737 -1.169 1 1 1170 . 12 1 1 A 91 91 GLN CA C 91 56.600 57.983 -1.383 1 1 1171 . 12 1 1 A 91 91 GLN CB C 91 28.859 28.553 0.306 1 1 1173 . 12 1 1 A 91 91 GLN N N 91 119.648 117.005 2.643 1 1 1175 . 12 1 1 A 92 92 LEU H H 92 8.015 7.987 0.028 1 1 1176 . 12 1 1 A 92 92 LEU HA H 92 4.214 4.253 -0.039 1 1 1186 . 12 1 1 A 92 92 LEU C C 92 177.661 178.109 -0.448 1 1 1187 . 12 1 1 A 92 92 LEU CA C 92 55.550 57.192 -1.642 1 1 1188 . 12 1 1 A 92 92 LEU CB C 92 41.994 42.514 -0.520 1 1 1192 . 12 1 1 A 92 92 LEU N N 92 121.059 121.522 -0.463 1 1 1193 . 12 1 1 A 93 93 GLU H H 93 8.132 8.211 -0.079 1 1 1194 . 12 1 1 A 93 93 GLU HA H 93 4.099 4.322 -0.223 1 1 1199 . 12 1 1 A 93 93 GLU C C 93 176.461 177.311 -0.850 1 1 1200 . 12 1 1 A 93 93 GLU CA C 93 56.838 56.264 0.574 1 1 1201 . 12 1 1 A 93 93 GLU CB C 93 29.803 29.060 0.743 1 1 1203 . 12 1 1 A 93 93 GLU N N 93 119.896 117.242 2.654 1 1 1204 . 12 1 1 A 94 94 HIS H H 94 8.134 7.862 0.272 1 1 1205 . 12 1 1 A 94 94 HIS C C 94 174.994 174.344 0.650 1 1 1206 . 12 1 1 A 94 94 HIS CA C 94 56.075 57.501 -1.426 1 1 1207 . 12 1 1 A 94 94 HIS CB C 94 29.997 30.031 -0.034 1 1 1 . 13 1 1 A 2 2 ASP HA H 2 4.708 4.585 0.123 1 1 4 . 13 1 1 A 2 2 ASP C C 2 176.847 176.125 0.722 1 1 5 . 13 1 1 A 2 2 ASP CA C 2 53.800 53.678 0.122 1 1 6 . 13 1 1 A 2 2 ASP CB C 2 40.922 40.911 0.011 1 1 7 . 13 1 1 A 3 3 GLN H H 3 9.117 8.727 0.390 1 1 8 . 13 1 1 A 3 3 GLN HA H 3 4.139 3.918 0.221 1 1 15 . 13 1 1 A 3 3 GLN C C 3 177.725 177.768 -0.043 1 1 16 . 13 1 1 A 3 3 GLN CA C 3 58.612 58.626 -0.014 1 1 17 . 13 1 1 A 3 3 GLN CB C 3 28.880 28.388 0.492 1 1 19 . 13 1 1 A 3 3 GLN N N 3 124.129 126.192 -2.063 1 1 21 . 13 1 1 A 4 4 LEU H H 4 8.285 8.207 0.078 1 1 22 . 13 1 1 A 4 4 LEU HA H 4 3.947 3.805 0.142 1 1 32 . 13 1 1 A 4 4 LEU C C 4 178.111 179.185 -1.074 1 1 33 . 13 1 1 A 4 4 LEU CA C 4 56.421 57.715 -1.294 1 1 34 . 13 1 1 A 4 4 LEU CB C 4 40.690 40.548 0.142 1 1 38 . 13 1 1 A 4 4 LEU N N 4 117.977 118.865 -0.888 1 1 39 . 13 1 1 A 5 5 LYS H H 5 7.624 7.893 -0.269 1 1 40 . 13 1 1 A 5 5 LYS HA H 5 3.837 3.919 -0.082 1 1 49 . 13 1 1 A 5 5 LYS C C 5 178.775 178.786 -0.011 1 1 50 . 13 1 1 A 5 5 LYS CA C 5 59.939 59.811 0.128 1 1 51 . 13 1 1 A 5 5 LYS CB C 5 32.344 32.053 0.291 1 1 55 . 13 1 1 A 5 5 LYS N N 5 121.000 120.924 0.076 1 1 56 . 13 1 1 A 6 6 THR H H 6 7.852 7.833 0.019 1 1 57 . 13 1 1 A 6 6 THR HA H 6 3.908 3.896 0.012 1 1 62 . 13 1 1 A 6 6 THR C C 6 176.483 176.299 0.184 1 1 63 . 13 1 1 A 6 6 THR CA C 6 66.062 67.113 -1.051 1 1 64 . 13 1 1 A 6 6 THR CB C 6 68.255 68.654 -0.399 1 1 66 . 13 1 1 A 6 6 THR N N 6 115.606 116.324 -0.718 1 1 67 . 13 1 1 A 7 7 ILE H H 7 7.791 7.469 0.322 1 1 68 . 13 1 1 A 7 7 ILE HA H 7 3.422 3.537 -0.115 1 1 78 . 13 1 1 A 7 7 ILE C C 7 177.219 177.905 -0.686 1 1 79 . 13 1 1 A 7 7 ILE CA C 7 65.799 65.201 0.598 1 1 80 . 13 1 1 A 7 7 ILE CB C 7 37.619 37.565 0.054 1 1 84 . 13 1 1 A 7 7 ILE N N 7 122.292 121.397 0.895 1 1 85 . 13 1 1 A 8 8 LYS H H 8 8.233 8.437 -0.204 1 1 86 . 13 1 1 A 8 8 LYS HA H 8 3.721 3.779 -0.058 1 1 95 . 13 1 1 A 8 8 LYS C C 8 179.054 179.680 -0.626 1 1 96 . 13 1 1 A 8 8 LYS CA C 8 60.378 60.481 -0.103 1 1 97 . 13 1 1 A 8 8 LYS CB C 8 31.990 32.172 -0.182 1 1 101 . 13 1 1 A 8 8 LYS N N 8 119.853 118.712 1.141 1 1 102 . 13 1 1 A 9 9 GLU H H 9 7.677 7.869 -0.192 1 1 103 . 13 1 1 A 9 9 GLU HA H 9 4.138 4.031 0.107 1 1 108 . 13 1 1 A 9 9 GLU C C 9 178.839 179.410 -0.571 1 1 109 . 13 1 1 A 9 9 GLU CA C 9 59.045 59.073 -0.028 1 1 110 . 13 1 1 A 9 9 GLU CB C 9 28.877 29.574 -0.697 1 1 112 . 13 1 1 A 9 9 GLU N N 9 118.933 120.351 -1.418 1 1 113 . 13 1 1 A 10 10 LEU H H 10 7.996 8.588 -0.592 1 1 114 . 13 1 1 A 10 10 LEU HA H 10 4.027 4.011 0.016 1 1 124 . 13 1 1 A 10 10 LEU C C 10 179.717 179.139 0.578 1 1 125 . 13 1 1 A 10 10 LEU CA C 10 58.212 58.031 0.181 1 1 126 . 13 1 1 A 10 10 LEU CB C 10 41.994 41.643 0.351 1 1 130 . 13 1 1 A 10 10 LEU N N 10 120.361 121.305 -0.944 1 1 131 . 13 1 1 A 11 11 ILE H H 11 8.059 8.233 -0.174 1 1 132 . 13 1 1 A 11 11 ILE HA H 11 3.233 3.428 -0.195 1 1 142 . 13 1 1 A 11 11 ILE C C 11 179.525 178.263 1.262 1 1 143 . 13 1 1 A 11 11 ILE CA C 11 65.782 64.966 0.816 1 1 144 . 13 1 1 A 11 11 ILE CB C 11 37.620 37.200 0.420 1 1 148 . 13 1 1 A 11 11 ILE N N 11 118.455 119.343 -0.888 1 1 149 . 13 1 1 A 12 12 ASN H H 12 8.219 8.398 -0.179 1 1 150 . 13 1 1 A 12 12 ASN HA H 12 4.355 4.434 -0.079 1 1 155 . 13 1 1 A 12 12 ASN C C 12 177.168 178.585 -1.417 1 1 156 . 13 1 1 A 12 12 ASN CA C 12 55.945 56.497 -0.552 1 1 157 . 13 1 1 A 12 12 ASN CB C 12 38.012 37.504 0.508 1 1 158 . 13 1 1 A 12 12 ASN N N 12 120.732 119.132 1.600 1 1 160 . 13 1 1 A 13 13 GLN H H 13 8.028 8.052 -0.024 1 1 161 . 13 1 1 A 13 13 GLN HA H 13 4.295 4.139 0.156 1 1 168 . 13 1 1 A 13 13 GLN C C 13 176.418 175.928 0.490 1 1 169 . 13 1 1 A 13 13 GLN CA C 13 55.821 56.819 -0.998 1 1 170 . 13 1 1 A 13 13 GLN CB C 13 28.852 29.094 -0.242 1 1 172 . 13 1 1 A 13 13 GLN N N 13 116.080 115.943 0.137 1 1 174 . 13 1 1 A 14 14 GLY H H 14 7.853 8.358 -0.505 1 1 175 . 13 1 1 A 14 14 GLY HA2 H 14 4.337 4.024 0.313 1 1 176 . 13 1 1 A 14 14 GLY HA3 H 14 3.511 4.034 -0.523 1 1 177 . 13 1 1 A 14 14 GLY C C 14 174.233 173.949 0.284 1 1 178 . 13 1 1 A 14 14 GLY CA C 14 45.063 44.900 0.163 1 1 179 . 13 1 1 A 14 14 GLY N N 14 107.118 106.554 0.564 1 1 180 . 13 1 1 A 15 15 ASP H H 15 8.325 8.244 0.081 1 1 181 . 13 1 1 A 15 15 ASP HA H 15 4.973 4.635 0.338 1 1 184 . 13 1 1 A 15 15 ASP C C 15 176.427 176.535 -0.108 1 1 185 . 13 1 1 A 15 15 ASP CA C 15 51.828 52.294 -0.466 1 1 186 . 13 1 1 A 15 15 ASP CB C 15 38.583 39.357 -0.774 1 1 187 . 13 1 1 A 15 15 ASP N N 15 125.524 120.374 5.150 1 1 188 . 13 1 1 A 16 16 ILE H H 16 7.615 7.733 -0.118 1 1 189 . 13 1 1 A 16 16 ILE HA H 16 3.353 3.710 -0.357 1 1 199 . 13 1 1 A 16 16 ILE C C 16 177.618 177.512 0.106 1 1 200 . 13 1 1 A 16 16 ILE CA C 16 62.996 64.714 -1.718 1 1 201 . 13 1 1 A 16 16 ILE CB C 16 35.856 37.202 -1.346 1 1 205 . 13 1 1 A 16 16 ILE N N 16 119.875 125.228 -5.353 1 1 206 . 13 1 1 A 17 17 GLU H H 17 8.844 8.269 0.575 1 1 207 . 13 1 1 A 17 17 GLU HA H 17 3.887 3.887 0.000 1 1 212 . 13 1 1 A 17 17 GLU C C 17 179.739 179.495 0.244 1 1 213 . 13 1 1 A 17 17 GLU CA C 17 60.364 59.871 0.493 1 1 214 . 13 1 1 A 17 17 GLU CB C 17 28.670 29.201 -0.531 1 1 216 . 13 1 1 A 17 17 GLU N N 17 120.080 120.671 -0.591 1 1 217 . 13 1 1 A 18 18 ASN H H 18 7.768 8.202 -0.434 1 1 218 . 13 1 1 A 18 18 ASN HA H 18 4.535 4.415 0.120 1 1 223 . 13 1 1 A 18 18 ASN C C 18 178.197 177.983 0.214 1 1 224 . 13 1 1 A 18 18 ASN CA C 18 55.682 56.503 -0.821 1 1 225 . 13 1 1 A 18 18 ASN CB C 18 37.615 37.976 -0.361 1 1 226 . 13 1 1 A 18 18 ASN N N 18 116.056 118.659 -2.603 1 1 228 . 13 1 1 A 19 19 ALA H H 19 7.989 7.697 0.292 1 1 229 . 13 1 1 A 19 19 ALA HA H 19 3.870 4.046 -0.176 1 1 233 . 13 1 1 A 19 19 ALA C C 19 178.732 179.935 -1.203 1 1 234 . 13 1 1 A 19 19 ALA CA C 19 55.543 55.078 0.465 1 1 235 . 13 1 1 A 19 19 ALA CB C 19 18.362 18.404 -0.042 1 1 236 . 13 1 1 A 19 19 ALA N N 19 123.900 123.258 0.642 1 1 237 . 13 1 1 A 20 20 LEU H H 20 8.589 8.553 0.036 1 1 238 . 13 1 1 A 20 20 LEU HA H 20 3.856 3.784 0.072 1 1 248 . 13 1 1 A 20 20 LEU C C 20 179.139 178.766 0.373 1 1 249 . 13 1 1 A 20 20 LEU CA C 20 58.169 58.088 0.081 1 1 250 . 13 1 1 A 20 20 LEU CB C 20 41.569 41.554 0.015 1 1 254 . 13 1 1 A 20 20 LEU N N 20 117.052 118.080 -1.028 1 1 255 . 13 1 1 A 21 21 GLN H H 21 7.439 8.321 -0.882 1 1 256 . 13 1 1 A 21 21 GLN HA H 21 4.029 4.002 0.027 1 1 263 . 13 1 1 A 21 21 GLN C C 21 178.411 177.891 0.520 1 1 264 . 13 1 1 A 21 21 GLN CA C 21 58.730 58.498 0.232 1 1 265 . 13 1 1 A 21 21 GLN CB C 21 28.002 28.141 -0.139 1 1 267 . 13 1 1 A 21 21 GLN N N 21 118.218 117.164 1.054 1 1 269 . 13 1 1 A 22 22 ALA H H 22 7.848 7.634 0.214 1 1 270 . 13 1 1 A 22 22 ALA HA H 22 4.191 4.094 0.097 1 1 274 . 13 1 1 A 22 22 ALA C C 22 181.475 180.073 1.402 1 1 275 . 13 1 1 A 22 22 ALA CA C 22 54.631 54.905 -0.274 1 1 276 . 13 1 1 A 22 22 ALA CB C 22 17.907 18.471 -0.564 1 1 277 . 13 1 1 A 22 22 ALA N N 22 121.474 121.929 -0.455 1 1 278 . 13 1 1 A 23 23 LEU H H 23 8.751 8.163 0.588 1 1 279 . 13 1 1 A 23 23 LEU HA H 23 3.906 3.913 -0.007 1 1 289 . 13 1 1 A 23 23 LEU C C 23 177.996 179.226 -1.230 1 1 290 . 13 1 1 A 23 23 LEU CA C 23 58.155 58.081 0.074 1 1 291 . 13 1 1 A 23 23 LEU CB C 23 42.020 41.184 0.836 1 1 295 . 13 1 1 A 23 23 LEU N N 23 122.246 120.404 1.842 1 1 296 . 13 1 1 A 24 24 GLU H H 24 8.247 8.550 -0.303 1 1 297 . 13 1 1 A 24 24 GLU HA H 24 3.971 3.875 0.096 1 1 302 . 13 1 1 A 24 24 GLU C C 24 179.751 179.668 0.083 1 1 303 . 13 1 1 A 24 24 GLU CA C 24 59.506 59.922 -0.416 1 1 304 . 13 1 1 A 24 24 GLU CB C 24 28.849 29.154 -0.305 1 1 306 . 13 1 1 A 24 24 GLU N N 24 119.875 117.565 2.310 1 1 307 . 13 1 1 A 25 25 GLU H H 25 7.736 7.768 -0.032 1 1 308 . 13 1 1 A 25 25 GLU HA H 25 4.013 4.036 -0.023 1 1 313 . 13 1 1 A 25 25 GLU C C 25 179.204 179.343 -0.139 1 1 314 . 13 1 1 A 25 25 GLU CA C 25 59.058 59.230 -0.172 1 1 315 . 13 1 1 A 25 25 GLU CB C 25 29.238 29.368 -0.130 1 1 317 . 13 1 1 A 25 25 GLU N N 25 118.451 120.564 -2.113 1 1 318 . 13 1 1 A 26 26 PHE H H 26 8.389 8.192 0.197 1 1 319 . 13 1 1 A 26 26 PHE HA H 26 4.218 4.052 0.166 1 1 327 . 13 1 1 A 26 26 PHE C C 26 178.732 177.103 1.629 1 1 328 . 13 1 1 A 26 26 PHE CA C 26 61.020 61.061 -0.041 1 1 329 . 13 1 1 A 26 26 PHE CB C 26 39.383 39.300 0.083 1 1 333 . 13 1 1 A 26 26 PHE N N 26 122.243 121.919 0.324 1 1 334 . 13 1 1 A 27 27 LEU H H 27 8.643 8.322 0.321 1 1 335 . 13 1 1 A 27 27 LEU HA H 27 3.666 3.991 -0.325 1 1 345 . 13 1 1 A 27 27 LEU C C 27 179.172 178.969 0.203 1 1 346 . 13 1 1 A 27 27 LEU CA C 27 57.728 57.191 0.537 1 1 347 . 13 1 1 A 27 27 LEU CB C 27 42.008 41.393 0.615 1 1 351 . 13 1 1 A 27 27 LEU N N 27 119.374 118.814 0.560 1 1 352 . 13 1 1 A 28 28 GLN H H 28 7.536 7.940 -0.404 1 1 353 . 13 1 1 A 28 28 GLN HA H 28 4.215 4.257 -0.042 1 1 360 . 13 1 1 A 28 28 GLN C C 28 177.261 177.798 -0.537 1 1 361 . 13 1 1 A 28 28 GLN CA C 28 57.287 57.772 -0.485 1 1 362 . 13 1 1 A 28 28 GLN CB C 28 28.832 29.059 -0.227 1 1 364 . 13 1 1 A 28 28 GLN N N 28 116.095 118.699 -2.604 1 1 366 . 13 1 1 A 29 29 THR H H 29 7.480 7.257 0.223 1 1 367 . 13 1 1 A 29 29 THR HA H 29 4.332 4.101 0.231 1 1 372 . 13 1 1 A 29 29 THR C C 29 174.092 174.358 -0.266 1 1 373 . 13 1 1 A 29 29 THR CA C 29 62.533 64.801 -2.268 1 1 374 . 13 1 1 A 29 29 THR CB C 29 70.435 69.341 1.094 1 1 376 . 13 1 1 A 29 29 THR N N 29 108.609 115.601 -6.992 1 1 377 . 13 1 1 A 30 30 GLU H H 30 7.935 7.482 0.453 1 1 378 . 13 1 1 A 30 30 GLU HA H 30 4.221 4.609 -0.388 1 1 383 . 13 1 1 A 30 30 GLU CA C 30 54.719 53.831 0.888 1 1 384 . 13 1 1 A 30 30 GLU CB C 30 28.002 29.557 -1.555 1 1 386 . 13 1 1 A 30 30 GLU N N 30 119.400 118.538 0.862 1 1 387 . 13 1 1 A 31 31 PRO HA H 31 4.430 4.331 0.099 1 1 394 . 13 1 1 A 31 31 PRO C C 31 177.447 177.722 -0.275 1 1 395 . 13 1 1 A 31 31 PRO CA C 31 62.992 64.974 -1.982 1 1 396 . 13 1 1 A 31 31 PRO CB C 31 32.354 32.097 0.257 1 1 399 . 13 1 1 A 32 32 VAL H H 32 7.989 7.775 0.214 1 1 400 . 13 1 1 A 32 32 VAL HA H 32 4.211 3.915 0.296 1 1 408 . 13 1 1 A 32 32 VAL C C 32 176.778 177.297 -0.519 1 1 409 . 13 1 1 A 32 32 VAL CA C 32 62.755 64.820 -2.065 1 1 410 . 13 1 1 A 32 32 VAL CB C 32 32.697 31.445 1.252 1 1 412 . 13 1 1 A 32 32 VAL N N 32 118.439 116.480 1.959 1 1 413 . 13 1 1 A 33 33 GLY H H 33 8.764 7.658 1.106 1 1 414 . 13 1 1 A 33 33 GLY HA2 H 33 4.195 4.183 0.012 1 1 415 . 13 1 1 A 33 33 GLY HA3 H 33 4.195 4.362 -0.167 1 1 416 . 13 1 1 A 33 33 GLY C C 33 176.287 175.411 0.876 1 1 417 . 13 1 1 A 33 33 GLY CA C 33 45.917 45.459 0.458 1 1 418 . 13 1 1 A 33 33 GLY N N 33 111.588 108.656 2.932 1 1 419 . 13 1 1 A 34 34 LYS H H 34 8.296 7.620 0.676 1 1 420 . 13 1 1 A 34 34 LYS HA H 34 3.839 4.184 -0.345 1 1 429 . 13 1 1 A 34 34 LYS C C 34 177.040 179.290 -2.250 1 1 430 . 13 1 1 A 34 34 LYS CA C 34 59.883 59.607 0.276 1 1 431 . 13 1 1 A 34 34 LYS CB C 34 32.883 32.334 0.549 1 1 435 . 13 1 1 A 34 34 LYS N N 34 119.887 120.284 -0.397 1 1 436 . 13 1 1 A 35 35 ASP H H 35 9.065 8.761 0.304 1 1 437 . 13 1 1 A 35 35 ASP HA H 35 4.362 4.512 -0.150 1 1 440 . 13 1 1 A 35 35 ASP C C 35 177.018 178.839 -1.821 1 1 441 . 13 1 1 A 35 35 ASP CA C 35 57.636 57.239 0.397 1 1 442 . 13 1 1 A 35 35 ASP CB C 35 41.086 39.893 1.193 1 1 443 . 13 1 1 A 35 35 ASP N N 35 115.065 118.580 -3.515 1 1 444 . 13 1 1 A 36 36 GLU H H 36 7.474 8.190 -0.716 1 1 445 . 13 1 1 A 36 36 GLU HA H 36 4.275 4.140 0.135 1 1 450 . 13 1 1 A 36 36 GLU C C 36 178.261 178.674 -0.413 1 1 451 . 13 1 1 A 36 36 GLU CA C 36 59.046 59.376 -0.330 1 1 452 . 13 1 1 A 36 36 GLU CB C 36 29.283 29.234 0.049 1 1 454 . 13 1 1 A 36 36 GLU N N 36 121.291 120.573 0.718 1 1 455 . 13 1 1 A 37 37 ALA H H 37 7.674 7.844 -0.170 1 1 456 . 13 1 1 A 37 37 ALA HA H 37 3.887 4.044 -0.157 1 1 460 . 13 1 1 A 37 37 ALA C C 37 179.161 179.604 -0.443 1 1 461 . 13 1 1 A 37 37 ALA CA C 37 55.091 55.065 0.026 1 1 462 . 13 1 1 A 37 37 ALA CB C 37 17.925 17.945 -0.020 1 1 463 . 13 1 1 A 37 37 ALA N N 37 120.365 122.049 -1.684 1 1 464 . 13 1 1 A 38 38 TYR H H 38 8.175 8.415 -0.240 1 1 465 . 13 1 1 A 38 38 TYR HA H 38 4.422 4.351 0.071 1 1 472 . 13 1 1 A 38 38 TYR C C 38 178.497 178.419 0.078 1 1 473 . 13 1 1 A 38 38 TYR CA C 38 62.662 61.321 1.341 1 1 474 . 13 1 1 A 38 38 TYR CB C 38 37.996 38.042 -0.046 1 1 477 . 13 1 1 A 38 38 TYR N N 38 117.027 116.009 1.018 1 1 478 . 13 1 1 A 39 39 TYR H H 39 8.321 8.108 0.213 1 1 479 . 13 1 1 A 39 39 TYR HA H 39 4.413 4.371 0.042 1 1 486 . 13 1 1 A 39 39 TYR C C 39 176.311 177.094 -0.783 1 1 487 . 13 1 1 A 39 39 TYR CA C 39 60.856 61.919 -1.063 1 1 488 . 13 1 1 A 39 39 TYR CB C 39 38.015 38.894 -0.879 1 1 491 . 13 1 1 A 39 39 TYR N N 39 120.527 120.974 -0.447 1 1 492 . 13 1 1 A 40 40 LEU H H 40 8.508 8.448 0.060 1 1 493 . 13 1 1 A 40 40 LEU HA H 40 3.585 3.841 -0.256 1 1 503 . 13 1 1 A 40 40 LEU C C 40 178.857 179.095 -0.238 1 1 504 . 13 1 1 A 40 40 LEU CA C 40 57.723 57.795 -0.072 1 1 505 . 13 1 1 A 40 40 LEU CB C 40 41.543 41.310 0.233 1 1 509 . 13 1 1 A 40 40 LEU N N 40 118.925 120.569 -1.644 1 1 510 . 13 1 1 A 41 41 MET H H 41 8.661 8.364 0.297 1 1 511 . 13 1 1 A 41 41 MET HA H 41 3.611 4.008 -0.397 1 1 519 . 13 1 1 A 41 41 MET C C 41 178.325 179.110 -0.785 1 1 520 . 13 1 1 A 41 41 MET CA C 41 59.498 59.119 0.379 1 1 521 . 13 1 1 A 41 41 MET CB C 41 32.806 32.693 0.113 1 1 524 . 13 1 1 A 41 41 MET N N 41 119.892 117.252 2.640 1 1 525 . 13 1 1 A 42 42 GLY H H 42 8.531 8.244 0.287 1 1 526 . 13 1 1 A 42 42 GLY HA2 H 42 3.564 2.546 1.018 1 1 527 . 13 1 1 A 42 42 GLY HA3 H 42 3.164 3.505 -0.341 1 1 528 . 13 1 1 A 42 42 GLY C C 42 174.726 175.780 -1.054 1 1 529 . 13 1 1 A 42 42 GLY CA C 42 48.104 46.925 1.179 1 1 530 . 13 1 1 A 42 42 GLY N N 42 107.064 108.409 -1.345 1 1 531 . 13 1 1 A 43 43 ASN H H 43 8.260 7.825 0.435 1 1 532 . 13 1 1 A 43 43 ASN HA H 43 4.334 4.503 -0.169 1 1 537 . 13 1 1 A 43 43 ASN C C 43 178.111 177.848 0.263 1 1 538 . 13 1 1 A 43 43 ASN CA C 43 54.966 56.296 -1.330 1 1 539 . 13 1 1 A 43 43 ASN CB C 43 36.326 38.556 -2.230 1 1 540 . 13 1 1 A 43 43 ASN N N 43 120.815 119.942 0.873 1 1 542 . 13 1 1 A 44 44 ALA H H 44 8.487 7.771 0.716 1 1 543 . 13 1 1 A 44 44 ALA HA H 44 3.788 3.944 -0.156 1 1 547 . 13 1 1 A 44 44 ALA C C 44 178.389 179.253 -0.864 1 1 548 . 13 1 1 A 44 44 ALA CA C 44 55.152 54.924 0.228 1 1 549 . 13 1 1 A 44 44 ALA CB C 44 16.897 17.907 -1.010 1 1 550 . 13 1 1 A 44 44 ALA N N 44 125.304 123.648 1.656 1 1 551 . 13 1 1 A 45 45 TYR H H 45 8.160 7.885 0.275 1 1 552 . 13 1 1 A 45 45 TYR HA H 45 4.168 4.224 -0.056 1 1 559 . 13 1 1 A 45 45 TYR C C 45 178.775 179.141 -0.366 1 1 560 . 13 1 1 A 45 45 TYR CA C 45 62.995 61.828 1.167 1 1 561 . 13 1 1 A 45 45 TYR CB C 45 36.944 37.972 -1.028 1 1 564 . 13 1 1 A 45 45 TYR N N 45 115.156 115.845 -0.689 1 1 565 . 13 1 1 A 46 46 ARG H H 46 8.901 8.465 0.436 1 1 566 . 13 1 1 A 46 46 ARG HA H 46 3.677 3.502 0.175 1 1 573 . 13 1 1 A 46 46 ARG C C 46 179.396 178.330 1.066 1 1 574 . 13 1 1 A 46 46 ARG CA C 46 59.924 58.148 1.776 1 1 575 . 13 1 1 A 46 46 ARG CB C 46 30.131 29.720 0.411 1 1 578 . 13 1 1 A 46 46 ARG N N 46 121.781 118.637 3.144 1 1 579 . 13 1 1 A 47 47 LYS H H 47 7.813 7.396 0.417 1 1 580 . 13 1 1 A 47 47 LYS HA H 47 4.058 4.143 -0.085 1 1 589 . 13 1 1 A 47 47 LYS C C 47 178.111 178.920 -0.809 1 1 590 . 13 1 1 A 47 47 LYS CA C 47 58.950 59.311 -0.361 1 1 591 . 13 1 1 A 47 47 LYS CB C 47 31.906 31.955 -0.049 1 1 595 . 13 1 1 A 47 47 LYS N N 47 120.818 119.628 1.190 1 1 596 . 13 1 1 A 48 48 LEU H H 48 7.312 7.398 -0.086 1 1 597 . 13 1 1 A 48 48 LEU HA H 48 4.228 4.032 0.196 1 1 607 . 13 1 1 A 48 48 LEU C C 48 177.254 177.123 0.131 1 1 608 . 13 1 1 A 48 48 LEU CA C 48 54.908 56.095 -1.187 1 1 609 . 13 1 1 A 48 48 LEU CB C 48 42.475 42.660 -0.185 1 1 613 . 13 1 1 A 48 48 LEU N N 48 116.553 116.959 -0.406 1 1 614 . 13 1 1 A 49 49 GLY H H 49 7.564 7.828 -0.264 1 1 615 . 13 1 1 A 49 49 GLY HA2 H 49 3.607 3.708 -0.101 1 1 616 . 13 1 1 A 49 49 GLY HA3 H 49 2.316 3.931 -1.615 1 1 617 . 13 1 1 A 49 49 GLY C C 49 172.900 173.224 -0.324 1 1 618 . 13 1 1 A 49 49 GLY CA C 49 44.184 44.656 -0.472 1 1 619 . 13 1 1 A 49 49 GLY N N 49 107.326 105.491 1.835 1 1 620 . 13 1 1 A 50 50 ASP H H 50 7.670 7.893 -0.223 1 1 621 . 13 1 1 A 50 50 ASP HA H 50 4.564 4.779 -0.215 1 1 624 . 13 1 1 A 50 50 ASP C C 50 175.681 176.247 -0.566 1 1 625 . 13 1 1 A 50 50 ASP CA C 50 51.083 52.689 -1.606 1 1 626 . 13 1 1 A 50 50 ASP CB C 50 39.169 41.029 -1.860 1 1 627 . 13 1 1 A 50 50 ASP N N 50 120.356 119.950 0.406 1 1 628 . 13 1 1 A 51 51 TRP H H 51 6.939 8.352 -1.413 1 1 629 . 13 1 1 A 51 51 TRP HA H 51 4.314 4.598 -0.284 1 1 638 . 13 1 1 A 51 51 TRP C C 51 178.047 178.734 -0.687 1 1 639 . 13 1 1 A 51 51 TRP CA C 51 58.473 59.542 -1.069 1 1 640 . 13 1 1 A 51 51 TRP CB C 51 30.099 29.615 0.484 1 1 646 . 13 1 1 A 51 51 TRP N N 51 121.784 125.414 -3.630 1 1 648 . 13 1 1 A 52 52 GLN H H 52 8.677 8.594 0.083 1 1 649 . 13 1 1 A 52 52 GLN HA H 52 3.960 4.037 -0.077 1 1 656 . 13 1 1 A 52 52 GLN C C 52 178.454 178.715 -0.261 1 1 657 . 13 1 1 A 52 52 GLN CA C 52 58.925 58.774 0.151 1 1 658 . 13 1 1 A 52 52 GLN CB C 52 28.183 27.835 0.348 1 1 660 . 13 1 1 A 52 52 GLN N N 52 117.018 121.311 -4.293 1 1 662 . 13 1 1 A 53 53 LYS H H 53 7.392 8.373 -0.981 1 1 663 . 13 1 1 A 53 53 LYS HA H 53 3.774 3.792 -0.018 1 1 672 . 13 1 1 A 53 53 LYS C C 53 180.361 178.789 1.572 1 1 673 . 13 1 1 A 53 53 LYS CA C 53 59.764 58.805 0.959 1 1 674 . 13 1 1 A 53 53 LYS CB C 53 30.802 31.145 -0.343 1 1 678 . 13 1 1 A 53 53 LYS N N 53 117.913 118.206 -0.293 1 1 679 . 13 1 1 A 54 54 ALA H H 54 8.223 7.976 0.247 1 1 680 . 13 1 1 A 54 54 ALA HA H 54 4.012 3.893 0.119 1 1 684 . 13 1 1 A 54 54 ALA C C 54 177.635 180.138 -2.503 1 1 685 . 13 1 1 A 54 54 ALA CA C 54 55.792 55.103 0.689 1 1 686 . 13 1 1 A 54 54 ALA CB C 54 17.045 18.716 -1.671 1 1 687 . 13 1 1 A 54 54 ALA N N 54 123.665 122.203 1.462 1 1 688 . 13 1 1 A 55 55 LEU H H 55 8.425 8.459 -0.034 1 1 689 . 13 1 1 A 55 55 LEU HA H 55 4.010 4.150 -0.140 1 1 699 . 13 1 1 A 55 55 LEU C C 55 179.568 179.148 0.420 1 1 700 . 13 1 1 A 55 55 LEU CA C 55 58.611 58.386 0.225 1 1 701 . 13 1 1 A 55 55 LEU CB C 55 41.500 41.774 -0.274 1 1 705 . 13 1 1 A 55 55 LEU N N 55 116.583 118.129 -1.546 1 1 706 . 13 1 1 A 56 56 ASN H H 56 8.284 8.189 0.095 1 1 707 . 13 1 1 A 56 56 ASN HA H 56 4.360 4.465 -0.105 1 1 712 . 13 1 1 A 56 56 ASN C C 56 177.790 178.490 -0.700 1 1 713 . 13 1 1 A 56 56 ASN CA C 56 55.852 56.676 -0.824 1 1 714 . 13 1 1 A 56 56 ASN CB C 56 37.882 37.873 0.009 1 1 715 . 13 1 1 A 56 56 ASN N N 56 117.763 118.243 -0.480 1 1 717 . 13 1 1 A 57 57 ASN H H 57 7.600 7.819 -0.219 1 1 718 . 13 1 1 A 57 57 ASN HA H 57 4.425 4.516 -0.091 1 1 723 . 13 1 1 A 57 57 ASN C C 57 177.404 178.161 -0.757 1 1 724 . 13 1 1 A 57 57 ASN CA C 57 58.105 56.104 2.001 1 1 725 . 13 1 1 A 57 57 ASN CB C 57 38.931 38.488 0.443 1 1 726 . 13 1 1 A 57 57 ASN N N 57 118.927 116.987 1.940 1 1 728 . 13 1 1 A 58 58 TYR H H 58 8.838 8.316 0.522 1 1 729 . 13 1 1 A 58 58 TYR HA H 58 4.667 4.443 0.224 1 1 736 . 13 1 1 A 58 58 TYR C C 58 178.047 178.476 -0.429 1 1 737 . 13 1 1 A 58 58 TYR CA C 58 58.430 61.714 -3.284 1 1 738 . 13 1 1 A 58 58 TYR CB C 58 36.743 38.310 -1.567 1 1 741 . 13 1 1 A 58 58 TYR N N 58 118.473 119.281 -0.808 1 1 742 . 13 1 1 A 59 59 GLN H H 59 8.572 8.256 0.316 1 1 743 . 13 1 1 A 59 59 GLN HA H 59 4.022 4.052 -0.030 1 1 750 . 13 1 1 A 59 59 GLN C C 59 178.040 178.077 -0.037 1 1 751 . 13 1 1 A 59 59 GLN CA C 59 59.054 58.841 0.213 1 1 752 . 13 1 1 A 59 59 GLN CB C 59 27.126 28.587 -1.461 1 1 754 . 13 1 1 A 59 59 GLN N N 59 118.483 121.268 -2.785 1 1 756 . 13 1 1 A 60 60 SER H H 60 7.696 7.758 -0.062 1 1 757 . 13 1 1 A 60 60 SER HA H 60 3.931 3.954 -0.023 1 1 760 . 13 1 1 A 60 60 SER C C 60 175.926 176.175 -0.249 1 1 761 . 13 1 1 A 60 60 SER CA C 60 62.121 61.453 0.668 1 1 762 . 13 1 1 A 60 60 SER CB C 60 61.244 62.181 -0.937 1 1 763 . 13 1 1 A 60 60 SER N N 60 116.103 117.105 -1.002 1 1 764 . 13 1 1 A 61 61 ALA H H 61 7.739 7.628 0.111 1 1 765 . 13 1 1 A 61 61 ALA HA H 61 4.075 4.211 -0.136 1 1 769 . 13 1 1 A 61 61 ALA C C 61 178.686 179.979 -1.293 1 1 770 . 13 1 1 A 61 61 ALA CA C 61 56.019 54.917 1.102 1 1 771 . 13 1 1 A 61 61 ALA CB C 61 18.790 18.741 0.049 1 1 772 . 13 1 1 A 61 61 ALA N N 61 122.319 123.028 -0.709 1 1 773 . 13 1 1 A 62 62 ILE H H 62 7.991 7.654 0.337 1 1 774 . 13 1 1 A 62 62 ILE HA H 62 3.857 3.557 0.300 1 1 784 . 13 1 1 A 62 62 ILE C C 62 178.131 178.346 -0.215 1 1 785 . 13 1 1 A 62 62 ILE CA C 62 63.418 65.355 -1.937 1 1 786 . 13 1 1 A 62 62 ILE CB C 62 39.119 37.713 1.406 1 1 790 . 13 1 1 A 62 62 ILE N N 62 117.981 119.067 -1.086 1 1 791 . 13 1 1 A 63 63 GLU H H 63 7.988 8.736 -0.748 1 1 792 . 13 1 1 A 63 63 GLU HA H 63 3.902 4.089 -0.187 1 1 797 . 13 1 1 A 63 63 GLU C C 63 178.564 178.466 0.098 1 1 798 . 13 1 1 A 63 63 GLU CA C 63 58.594 58.655 -0.061 1 1 799 . 13 1 1 A 63 63 GLU CB C 63 29.278 28.043 1.235 1 1 801 . 13 1 1 A 63 63 GLU N N 63 118.190 120.088 -1.898 1 1 802 . 13 1 1 A 64 64 LEU H H 64 7.024 7.594 -0.570 1 1 803 . 13 1 1 A 64 64 LEU HA H 64 4.347 4.260 0.087 1 1 813 . 13 1 1 A 64 64 LEU C C 64 177.496 177.088 0.408 1 1 814 . 13 1 1 A 64 64 LEU CA C 64 55.810 56.502 -0.692 1 1 815 . 13 1 1 A 64 64 LEU CB C 64 43.746 43.401 0.345 1 1 819 . 13 1 1 A 64 64 LEU N N 64 116.109 118.624 -2.515 1 1 820 . 13 1 1 A 65 65 ASN H H 65 8.270 8.414 -0.144 1 1 821 . 13 1 1 A 65 65 ASN HA H 65 5.068 5.109 -0.041 1 1 826 . 13 1 1 A 65 65 ASN C C 65 172.512 173.882 -1.370 1 1 827 . 13 1 1 A 65 65 ASN CA C 65 49.457 49.809 -0.352 1 1 828 . 13 1 1 A 65 65 ASN CB C 65 38.936 40.037 -1.101 1 1 829 . 13 1 1 A 65 65 ASN N N 65 116.544 115.398 1.146 1 1 831 . 13 1 1 A 66 66 PRO HA H 66 4.467 4.551 -0.084 1 1 838 . 13 1 1 A 66 66 PRO C C 66 176.054 176.023 0.031 1 1 839 . 13 1 1 A 66 66 PRO CA C 66 63.894 64.130 -0.236 1 1 840 . 13 1 1 A 66 66 PRO CB C 66 31.935 31.813 0.122 1 1 843 . 13 1 1 A 67 67 ASP H H 67 7.326 8.064 -0.738 1 1 844 . 13 1 1 A 67 67 ASP HA H 67 4.863 4.780 0.083 1 1 847 . 13 1 1 A 67 67 ASP C C 67 175.647 175.374 0.273 1 1 848 . 13 1 1 A 67 67 ASP CA C 67 53.273 53.690 -0.417 1 1 849 . 13 1 1 A 67 67 ASP CB C 67 41.453 41.612 -0.159 1 1 850 . 13 1 1 A 67 67 ASP N N 67 114.579 118.002 -3.423 1 1 851 . 13 1 1 A 68 68 SER H H 68 7.670 7.245 0.425 1 1 852 . 13 1 1 A 68 68 SER HA H 68 4.315 4.808 -0.493 1 1 856 . 13 1 1 A 68 68 SER C C 68 175.108 174.673 0.435 1 1 857 . 13 1 1 A 68 68 SER CA C 68 56.422 56.434 -0.012 1 1 858 . 13 1 1 A 68 68 SER CB C 68 63.880 63.455 0.425 1 1 859 . 13 1 1 A 68 68 SER N N 68 115.624 114.297 1.327 1 1 860 . 13 1 1 A 69 69 PRO HA H 69 4.588 4.362 0.226 1 1 867 . 13 1 1 A 69 69 PRO C C 69 177.083 177.444 -0.361 1 1 868 . 13 1 1 A 69 69 PRO CA C 69 63.870 64.157 -0.287 1 1 869 . 13 1 1 A 69 69 PRO CB C 69 30.612 31.366 -0.754 1 1 872 . 13 1 1 A 70 70 ALA H H 70 8.442 8.083 0.359 1 1 873 . 13 1 1 A 70 70 ALA HA H 70 3.679 4.226 -0.547 1 1 877 . 13 1 1 A 70 70 ALA C C 70 177.667 180.045 -2.378 1 1 878 . 13 1 1 A 70 70 ALA CA C 70 54.025 54.982 -0.957 1 1 879 . 13 1 1 A 70 70 ALA CB C 70 20.741 18.670 2.071 1 1 880 . 13 1 1 A 70 70 ALA N N 70 121.749 120.137 1.612 1 1 881 . 13 1 1 A 71 71 LEU H H 71 7.956 7.939 0.017 1 1 882 . 13 1 1 A 71 71 LEU HA H 71 3.883 4.065 -0.182 1 1 892 . 13 1 1 A 71 71 LEU C C 71 179.241 178.972 0.269 1 1 893 . 13 1 1 A 71 71 LEU CA C 71 58.602 57.726 0.876 1 1 894 . 13 1 1 A 71 71 LEU CB C 71 41.987 41.861 0.126 1 1 898 . 13 1 1 A 71 71 LEU N N 71 119.448 120.810 -1.362 1 1 899 . 13 1 1 A 72 72 GLN H H 72 7.464 7.994 -0.530 1 1 900 . 13 1 1 A 72 72 GLN HA H 72 4.049 4.039 0.010 1 1 907 . 13 1 1 A 72 72 GLN C C 72 178.432 178.610 -0.178 1 1 908 . 13 1 1 A 72 72 GLN CA C 72 58.626 58.784 -0.158 1 1 909 . 13 1 1 A 72 72 GLN CB C 72 27.557 28.274 -0.717 1 1 911 . 13 1 1 A 72 72 GLN N N 72 117.976 117.998 -0.022 1 1 913 . 13 1 1 A 73 73 ALA H H 73 7.296 8.091 -0.795 1 1 914 . 13 1 1 A 73 73 ALA HA H 73 4.017 4.007 0.010 1 1 918 . 13 1 1 A 73 73 ALA C C 73 178.775 178.743 0.032 1 1 919 . 13 1 1 A 73 73 ALA CA C 73 54.688 55.175 -0.487 1 1 920 . 13 1 1 A 73 73 ALA CB C 73 17.473 17.913 -0.440 1 1 921 . 13 1 1 A 73 73 ALA N N 73 123.083 122.817 0.266 1 1 922 . 13 1 1 A 74 74 ARG H H 74 8.328 8.022 0.306 1 1 923 . 13 1 1 A 74 74 ARG HA H 74 3.820 4.012 -0.192 1 1 931 . 13 1 1 A 74 74 ARG C C 74 177.297 178.568 -1.271 1 1 932 . 13 1 1 A 74 74 ARG CA C 74 59.805 59.500 0.305 1 1 933 . 13 1 1 A 74 74 ARG CB C 74 29.773 29.921 -0.148 1 1 936 . 13 1 1 A 74 74 ARG N N 74 117.535 118.304 -0.769 1 1 938 . 13 1 1 A 75 75 LYS H H 75 7.123 7.707 -0.584 1 1 939 . 13 1 1 A 75 75 LYS HA H 75 3.960 4.133 -0.173 1 1 948 . 13 1 1 A 75 75 LYS C C 75 178.071 178.747 -0.676 1 1 949 . 13 1 1 A 75 75 LYS CA C 75 59.488 59.138 0.350 1 1 950 . 13 1 1 A 75 75 LYS CB C 75 31.928 32.140 -0.212 1 1 954 . 13 1 1 A 75 75 LYS N N 75 119.136 119.318 -0.182 1 1 955 . 13 1 1 A 76 76 MET H H 76 7.673 8.471 -0.798 1 1 956 . 13 1 1 A 76 76 MET HA H 76 4.205 4.100 0.105 1 1 964 . 13 1 1 A 76 76 MET C C 76 178.925 178.787 0.138 1 1 965 . 13 1 1 A 76 76 MET CA C 76 58.637 58.391 0.246 1 1 966 . 13 1 1 A 76 76 MET CB C 76 32.344 32.575 -0.231 1 1 969 . 13 1 1 A 76 76 MET N N 76 116.794 118.616 -1.822 1 1 970 . 13 1 1 A 77 77 VAL H H 77 7.928 8.329 -0.401 1 1 971 . 13 1 1 A 77 77 VAL HA H 77 3.601 3.370 0.231 1 1 979 . 13 1 1 A 77 77 VAL C C 77 177.318 177.784 -0.466 1 1 980 . 13 1 1 A 77 77 VAL CA C 77 66.468 66.631 -0.163 1 1 981 . 13 1 1 A 77 77 VAL CB C 77 31.477 31.877 -0.400 1 1 984 . 13 1 1 A 77 77 VAL N N 77 117.999 121.054 -3.055 1 1 985 . 13 1 1 A 78 78 MET H H 78 8.446 7.920 0.526 1 1 986 . 13 1 1 A 78 78 MET HA H 78 4.136 4.148 -0.012 1 1 994 . 13 1 1 A 78 78 MET C C 78 178.542 178.066 0.476 1 1 995 . 13 1 1 A 78 78 MET CA C 78 58.514 58.982 -0.468 1 1 996 . 13 1 1 A 78 78 MET CB C 78 31.036 32.659 -1.623 1 1 999 . 13 1 1 A 78 78 MET N N 78 119.079 117.429 1.650 1 1 1000 . 13 1 1 A 79 79 ASP H H 79 8.202 7.836 0.366 1 1 1001 . 13 1 1 A 79 79 ASP HA H 79 4.419 4.179 0.240 1 1 1004 . 13 1 1 A 79 79 ASP C C 79 179.097 178.480 0.617 1 1 1005 . 13 1 1 A 79 79 ASP CA C 79 57.277 57.452 -0.175 1 1 1006 . 13 1 1 A 79 79 ASP CB C 79 39.813 41.089 -1.276 1 1 1007 . 13 1 1 A 79 79 ASP N N 79 119.422 120.127 -0.705 1 1 1008 . 13 1 1 A 80 80 ILE H H 80 7.625 7.426 0.199 1 1 1009 . 13 1 1 A 80 80 ILE HA H 80 3.643 3.379 0.264 1 1 1019 . 13 1 1 A 80 80 ILE C C 80 178.024 178.185 -0.161 1 1 1020 . 13 1 1 A 80 80 ILE CA C 80 64.717 64.627 0.090 1 1 1021 . 13 1 1 A 80 80 ILE CB C 80 37.661 37.217 0.444 1 1 1025 . 13 1 1 A 80 80 ILE N N 80 121.750 119.510 2.240 1 1 1026 . 13 1 1 A 81 81 LEU H H 81 8.071 8.330 -0.259 1 1 1027 . 13 1 1 A 81 81 LEU HA H 81 3.908 3.887 0.021 1 1 1037 . 13 1 1 A 81 81 LEU C C 81 178.852 178.807 0.045 1 1 1038 . 13 1 1 A 81 81 LEU CA C 81 57.329 58.078 -0.749 1 1 1039 . 13 1 1 A 81 81 LEU CB C 81 41.544 40.406 1.138 1 1 1043 . 13 1 1 A 81 81 LEU N N 81 119.850 119.555 0.295 1 1 1044 . 13 1 1 A 82 82 ASN H H 82 8.188 7.844 0.344 1 1 1045 . 13 1 1 A 82 82 ASN HA H 82 4.417 4.207 0.210 1 1 1050 . 13 1 1 A 82 82 ASN C C 82 176.440 177.445 -1.005 1 1 1051 . 13 1 1 A 82 82 ASN CA C 82 55.011 55.898 -0.887 1 1 1052 . 13 1 1 A 82 82 ASN CB C 82 38.461 38.253 0.208 1 1 1053 . 13 1 1 A 82 82 ASN N N 82 116.186 117.303 -1.117 1 1 1055 . 13 1 1 A 83 83 PHE H H 83 7.779 7.732 0.047 1 1 1056 . 13 1 1 A 83 83 PHE HA H 83 4.352 4.104 0.248 1 1 1064 . 13 1 1 A 83 83 PHE C C 83 176.767 176.837 -0.070 1 1 1065 . 13 1 1 A 83 83 PHE CA C 83 59.557 61.203 -1.646 1 1 1066 . 13 1 1 A 83 83 PHE CB C 83 38.944 38.853 0.091 1 1 1070 . 13 1 1 A 83 83 PHE N N 83 118.925 120.317 -1.392 1 1 1071 . 13 1 1 A 84 84 TYR H H 84 8.057 7.873 0.184 1 1 1072 . 13 1 1 A 84 84 TYR HA H 84 4.388 4.311 0.077 1 1 1079 . 13 1 1 A 84 84 TYR C C 84 176.233 175.679 0.554 1 1 1080 . 13 1 1 A 84 84 TYR CA C 84 59.261 59.984 -0.723 1 1 1081 . 13 1 1 A 84 84 TYR CB C 84 38.503 38.920 -0.417 1 1 1084 . 13 1 1 A 84 84 TYR N N 84 118.223 117.032 1.191 1 1 1085 . 13 1 1 A 85 85 ASN H H 85 8.192 8.185 0.007 1 1 1086 . 13 1 1 A 85 85 ASN HA H 85 4.679 5.147 -0.468 1 1 1091 . 13 1 1 A 85 85 ASN C C 85 175.367 175.124 0.243 1 1 1092 . 13 1 1 A 85 85 ASN CA C 85 53.261 51.701 1.560 1 1 1093 . 13 1 1 A 85 85 ASN CB C 85 38.501 39.703 -1.202 1 1 1094 . 13 1 1 A 85 85 ASN N N 85 118.935 114.597 4.338 1 1 1096 . 13 1 1 A 86 86 LYS H H 86 8.151 8.590 -0.439 1 1 1097 . 13 1 1 A 86 86 LYS HA H 86 4.151 4.211 -0.060 1 1 1106 . 13 1 1 A 86 86 LYS C C 86 176.981 177.584 -0.603 1 1 1107 . 13 1 1 A 86 86 LYS CA C 86 57.714 58.653 -0.939 1 1 1108 . 13 1 1 A 86 86 LYS CB C 86 32.368 32.507 -0.139 1 1 1112 . 13 1 1 A 86 86 LYS N N 86 121.533 126.017 -4.484 1 1 1113 . 13 1 1 A 87 87 ASP H H 87 8.269 8.232 0.037 1 1 1114 . 13 1 1 A 87 87 ASP HA H 87 4.553 4.428 0.125 1 1 1117 . 13 1 1 A 87 87 ASP C C 87 177.209 178.499 -1.290 1 1 1118 . 13 1 1 A 87 87 ASP CA C 87 55.538 57.594 -2.056 1 1 1119 . 13 1 1 A 87 87 ASP CB C 87 40.677 41.394 -0.717 1 1 1120 . 13 1 1 A 87 87 ASP N N 87 119.408 119.778 -0.370 1 1 1121 . 13 1 1 A 88 88 MET H H 88 7.941 8.468 -0.527 1 1 1122 . 13 1 1 A 88 88 MET HA H 88 4.257 4.391 -0.134 1 1 1130 . 13 1 1 A 88 88 MET C C 88 176.851 178.069 -1.218 1 1 1131 . 13 1 1 A 88 88 MET CA C 88 56.461 57.532 -1.071 1 1 1132 . 13 1 1 A 88 88 MET CB C 88 32.371 32.410 -0.039 1 1 1135 . 13 1 1 A 88 88 MET N N 88 119.377 118.562 0.815 1 1 1136 . 13 1 1 A 89 89 TYR H H 89 8.094 8.131 -0.037 1 1 1137 . 13 1 1 A 89 89 TYR HA H 89 4.350 4.232 0.118 1 1 1144 . 13 1 1 A 89 89 TYR C C 89 176.252 178.086 -1.834 1 1 1145 . 13 1 1 A 89 89 TYR CA C 89 59.097 61.105 -2.008 1 1 1146 . 13 1 1 A 89 89 TYR CB C 89 38.051 38.981 -0.930 1 1 1149 . 13 1 1 A 89 89 TYR N N 89 119.418 122.119 -2.701 1 1 1150 . 13 1 1 A 90 90 ASN H H 90 8.244 8.959 -0.715 1 1 1151 . 13 1 1 A 90 90 ASN HA H 90 4.573 4.289 0.284 1 1 1156 . 13 1 1 A 90 90 ASN C C 90 175.907 176.327 -0.420 1 1 1157 . 13 1 1 A 90 90 ASN CA C 90 53.867 53.291 0.576 1 1 1158 . 13 1 1 A 90 90 ASN CB C 90 38.479 37.374 1.105 1 1 1159 . 13 1 1 A 90 90 ASN N N 90 118.918 116.709 2.209 1 1 1161 . 13 1 1 A 91 91 GLN H H 91 8.176 8.303 -0.127 1 1 1162 . 13 1 1 A 91 91 GLN HA H 91 4.216 4.110 0.106 1 1 1169 . 13 1 1 A 91 91 GLN C C 91 176.568 177.931 -1.363 1 1 1170 . 13 1 1 A 91 91 GLN CA C 91 56.600 58.265 -1.665 1 1 1171 . 13 1 1 A 91 91 GLN CB C 91 28.859 27.933 0.926 1 1 1173 . 13 1 1 A 91 91 GLN N N 91 119.648 119.807 -0.159 1 1 1175 . 13 1 1 A 92 92 LEU H H 92 8.015 7.345 0.670 1 1 1176 . 13 1 1 A 92 92 LEU HA H 92 4.214 4.184 0.030 1 1 1186 . 13 1 1 A 92 92 LEU C C 92 177.661 176.716 0.945 1 1 1187 . 13 1 1 A 92 92 LEU CA C 92 55.550 57.607 -2.057 1 1 1188 . 13 1 1 A 92 92 LEU CB C 92 41.994 42.481 -0.487 1 1 1192 . 13 1 1 A 92 92 LEU N N 92 121.059 119.249 1.810 1 1 1193 . 13 1 1 A 93 93 GLU H H 93 8.132 7.741 0.391 1 1 1194 . 13 1 1 A 93 93 GLU HA H 93 4.099 4.495 -0.396 1 1 1199 . 13 1 1 A 93 93 GLU C C 93 176.461 175.224 1.237 1 1 1200 . 13 1 1 A 93 93 GLU CA C 93 56.838 55.155 1.683 1 1 1201 . 13 1 1 A 93 93 GLU CB C 93 29.803 30.186 -0.383 1 1 1203 . 13 1 1 A 93 93 GLU N N 93 119.896 116.943 2.953 1 1 1204 . 13 1 1 A 94 94 HIS H H 94 8.134 8.782 -0.648 1 1 1205 . 13 1 1 A 94 94 HIS C C 94 174.994 174.877 0.117 1 1 1206 . 13 1 1 A 94 94 HIS CA C 94 56.075 56.741 -0.666 1 1 1207 . 13 1 1 A 94 94 HIS CB C 94 29.997 30.790 -0.793 1 1 1 . 14 1 1 A 2 2 ASP HA H 2 4.708 4.434 0.274 1 1 4 . 14 1 1 A 2 2 ASP C C 2 176.847 175.901 0.946 1 1 5 . 14 1 1 A 2 2 ASP CA C 2 53.800 55.513 -1.713 1 1 6 . 14 1 1 A 2 2 ASP CB C 2 40.922 39.289 1.633 1 1 7 . 14 1 1 A 3 3 GLN H H 3 9.117 7.714 1.403 1 1 8 . 14 1 1 A 3 3 GLN HA H 3 4.139 4.018 0.121 1 1 15 . 14 1 1 A 3 3 GLN C C 3 177.725 178.746 -1.021 1 1 16 . 14 1 1 A 3 3 GLN CA C 3 58.612 58.881 -0.269 1 1 17 . 14 1 1 A 3 3 GLN CB C 3 28.880 28.427 0.453 1 1 19 . 14 1 1 A 3 3 GLN N N 3 124.129 117.516 6.613 1 1 21 . 14 1 1 A 4 4 LEU H H 4 8.285 8.159 0.126 1 1 22 . 14 1 1 A 4 4 LEU HA H 4 3.947 3.727 0.220 1 1 32 . 14 1 1 A 4 4 LEU C C 4 178.111 179.219 -1.108 1 1 33 . 14 1 1 A 4 4 LEU CA C 4 56.421 57.896 -1.475 1 1 34 . 14 1 1 A 4 4 LEU CB C 4 40.690 41.616 -0.926 1 1 38 . 14 1 1 A 4 4 LEU N N 4 117.977 120.161 -2.184 1 1 39 . 14 1 1 A 5 5 LYS H H 5 7.624 7.761 -0.137 1 1 40 . 14 1 1 A 5 5 LYS HA H 5 3.837 3.978 -0.141 1 1 49 . 14 1 1 A 5 5 LYS C C 5 178.775 178.756 0.019 1 1 50 . 14 1 1 A 5 5 LYS CA C 5 59.939 59.628 0.311 1 1 51 . 14 1 1 A 5 5 LYS CB C 5 32.344 32.210 0.134 1 1 55 . 14 1 1 A 5 5 LYS N N 5 121.000 120.424 0.576 1 1 56 . 14 1 1 A 6 6 THR H H 6 7.852 7.577 0.275 1 1 57 . 14 1 1 A 6 6 THR HA H 6 3.908 3.918 -0.010 1 1 62 . 14 1 1 A 6 6 THR C C 6 176.483 176.293 0.190 1 1 63 . 14 1 1 A 6 6 THR CA C 6 66.062 67.199 -1.137 1 1 64 . 14 1 1 A 6 6 THR CB C 6 68.255 68.645 -0.390 1 1 66 . 14 1 1 A 6 6 THR N N 6 115.606 115.728 -0.122 1 1 67 . 14 1 1 A 7 7 ILE H H 7 7.791 8.406 -0.615 1 1 68 . 14 1 1 A 7 7 ILE HA H 7 3.422 3.547 -0.125 1 1 78 . 14 1 1 A 7 7 ILE C C 7 177.219 177.789 -0.570 1 1 79 . 14 1 1 A 7 7 ILE CA C 7 65.799 65.361 0.438 1 1 80 . 14 1 1 A 7 7 ILE CB C 7 37.619 37.555 0.064 1 1 84 . 14 1 1 A 7 7 ILE N N 7 122.292 121.319 0.973 1 1 85 . 14 1 1 A 8 8 LYS H H 8 8.233 7.935 0.298 1 1 86 . 14 1 1 A 8 8 LYS HA H 8 3.721 3.808 -0.087 1 1 95 . 14 1 1 A 8 8 LYS C C 8 179.054 180.014 -0.960 1 1 96 . 14 1 1 A 8 8 LYS CA C 8 60.378 60.451 -0.073 1 1 97 . 14 1 1 A 8 8 LYS CB C 8 31.990 32.026 -0.036 1 1 101 . 14 1 1 A 8 8 LYS N N 8 119.853 118.384 1.469 1 1 102 . 14 1 1 A 9 9 GLU H H 9 7.677 8.292 -0.615 1 1 103 . 14 1 1 A 9 9 GLU HA H 9 4.138 4.048 0.090 1 1 108 . 14 1 1 A 9 9 GLU C C 9 178.839 179.315 -0.476 1 1 109 . 14 1 1 A 9 9 GLU CA C 9 59.045 59.023 0.022 1 1 110 . 14 1 1 A 9 9 GLU CB C 9 28.877 29.476 -0.599 1 1 112 . 14 1 1 A 9 9 GLU N N 9 118.933 120.672 -1.739 1 1 113 . 14 1 1 A 10 10 LEU H H 10 7.996 8.222 -0.226 1 1 114 . 14 1 1 A 10 10 LEU HA H 10 4.027 4.018 0.009 1 1 124 . 14 1 1 A 10 10 LEU C C 10 179.717 179.053 0.664 1 1 125 . 14 1 1 A 10 10 LEU CA C 10 58.212 58.020 0.192 1 1 126 . 14 1 1 A 10 10 LEU CB C 10 41.994 41.865 0.129 1 1 130 . 14 1 1 A 10 10 LEU N N 10 120.361 120.904 -0.543 1 1 131 . 14 1 1 A 11 11 ILE H H 11 8.059 8.279 -0.220 1 1 132 . 14 1 1 A 11 11 ILE HA H 11 3.233 3.437 -0.204 1 1 142 . 14 1 1 A 11 11 ILE C C 11 179.525 178.111 1.414 1 1 143 . 14 1 1 A 11 11 ILE CA C 11 65.782 64.764 1.018 1 1 144 . 14 1 1 A 11 11 ILE CB C 11 37.620 37.300 0.320 1 1 148 . 14 1 1 A 11 11 ILE N N 11 118.455 119.412 -0.957 1 1 149 . 14 1 1 A 12 12 ASN H H 12 8.219 8.543 -0.324 1 1 150 . 14 1 1 A 12 12 ASN HA H 12 4.355 4.440 -0.085 1 1 155 . 14 1 1 A 12 12 ASN C C 12 177.168 178.451 -1.283 1 1 156 . 14 1 1 A 12 12 ASN CA C 12 55.945 56.505 -0.560 1 1 157 . 14 1 1 A 12 12 ASN CB C 12 38.012 37.860 0.152 1 1 158 . 14 1 1 A 12 12 ASN N N 12 120.732 118.823 1.909 1 1 160 . 14 1 1 A 13 13 GLN H H 13 8.028 7.625 0.403 1 1 161 . 14 1 1 A 13 13 GLN HA H 13 4.295 4.219 0.076 1 1 168 . 14 1 1 A 13 13 GLN C C 13 176.418 175.834 0.584 1 1 169 . 14 1 1 A 13 13 GLN CA C 13 55.821 56.264 -0.443 1 1 170 . 14 1 1 A 13 13 GLN CB C 13 28.852 29.411 -0.559 1 1 172 . 14 1 1 A 13 13 GLN N N 13 116.080 116.107 -0.027 1 1 174 . 14 1 1 A 14 14 GLY H H 14 7.853 8.179 -0.326 1 1 175 . 14 1 1 A 14 14 GLY HA2 H 14 4.337 3.998 0.339 1 1 176 . 14 1 1 A 14 14 GLY HA3 H 14 3.511 4.007 -0.496 1 1 177 . 14 1 1 A 14 14 GLY C C 14 174.233 174.294 -0.061 1 1 178 . 14 1 1 A 14 14 GLY CA C 14 45.063 44.996 0.067 1 1 179 . 14 1 1 A 14 14 GLY N N 14 107.118 106.486 0.632 1 1 180 . 14 1 1 A 15 15 ASP H H 15 8.325 8.266 0.059 1 1 181 . 14 1 1 A 15 15 ASP HA H 15 4.973 4.851 0.122 1 1 184 . 14 1 1 A 15 15 ASP C C 15 176.427 176.289 0.138 1 1 185 . 14 1 1 A 15 15 ASP CA C 15 51.828 53.035 -1.207 1 1 186 . 14 1 1 A 15 15 ASP CB C 15 38.583 38.750 -0.167 1 1 187 . 14 1 1 A 15 15 ASP N N 15 125.524 120.553 4.971 1 1 188 . 14 1 1 A 16 16 ILE H H 16 7.615 7.852 -0.237 1 1 189 . 14 1 1 A 16 16 ILE HA H 16 3.353 3.572 -0.219 1 1 199 . 14 1 1 A 16 16 ILE C C 16 177.618 177.761 -0.143 1 1 200 . 14 1 1 A 16 16 ILE CA C 16 62.996 65.285 -2.289 1 1 201 . 14 1 1 A 16 16 ILE CB C 16 35.856 37.823 -1.967 1 1 205 . 14 1 1 A 16 16 ILE N N 16 119.875 122.193 -2.318 1 1 206 . 14 1 1 A 17 17 GLU H H 17 8.844 8.328 0.516 1 1 207 . 14 1 1 A 17 17 GLU HA H 17 3.887 3.811 0.076 1 1 212 . 14 1 1 A 17 17 GLU C C 17 179.739 179.403 0.336 1 1 213 . 14 1 1 A 17 17 GLU CA C 17 60.364 59.707 0.657 1 1 214 . 14 1 1 A 17 17 GLU CB C 17 28.670 29.436 -0.766 1 1 216 . 14 1 1 A 17 17 GLU N N 17 120.080 118.963 1.117 1 1 217 . 14 1 1 A 18 18 ASN H H 18 7.768 8.244 -0.476 1 1 218 . 14 1 1 A 18 18 ASN HA H 18 4.535 4.503 0.032 1 1 223 . 14 1 1 A 18 18 ASN C C 18 178.197 177.866 0.331 1 1 224 . 14 1 1 A 18 18 ASN CA C 18 55.682 56.138 -0.456 1 1 225 . 14 1 1 A 18 18 ASN CB C 18 37.615 38.403 -0.788 1 1 226 . 14 1 1 A 18 18 ASN N N 18 116.056 118.160 -2.104 1 1 228 . 14 1 1 A 19 19 ALA H H 19 7.989 7.679 0.310 1 1 229 . 14 1 1 A 19 19 ALA HA H 19 3.870 4.072 -0.202 1 1 233 . 14 1 1 A 19 19 ALA C C 19 178.732 179.858 -1.126 1 1 234 . 14 1 1 A 19 19 ALA CA C 19 55.543 55.053 0.490 1 1 235 . 14 1 1 A 19 19 ALA CB C 19 18.362 17.875 0.487 1 1 236 . 14 1 1 A 19 19 ALA N N 19 123.900 122.220 1.680 1 1 237 . 14 1 1 A 20 20 LEU H H 20 8.589 8.474 0.115 1 1 238 . 14 1 1 A 20 20 LEU HA H 20 3.856 3.852 0.004 1 1 248 . 14 1 1 A 20 20 LEU C C 20 179.139 179.397 -0.258 1 1 249 . 14 1 1 A 20 20 LEU CA C 20 58.169 57.745 0.424 1 1 250 . 14 1 1 A 20 20 LEU CB C 20 41.569 41.260 0.309 1 1 254 . 14 1 1 A 20 20 LEU N N 20 117.052 118.987 -1.935 1 1 255 . 14 1 1 A 21 21 GLN H H 21 7.439 8.278 -0.839 1 1 256 . 14 1 1 A 21 21 GLN HA H 21 4.029 4.007 0.022 1 1 263 . 14 1 1 A 21 21 GLN C C 21 178.411 179.018 -0.607 1 1 264 . 14 1 1 A 21 21 GLN CA C 21 58.730 58.963 -0.233 1 1 265 . 14 1 1 A 21 21 GLN CB C 21 28.002 28.416 -0.414 1 1 267 . 14 1 1 A 21 21 GLN N N 21 118.218 117.963 0.255 1 1 269 . 14 1 1 A 22 22 ALA H H 22 7.848 7.511 0.337 1 1 270 . 14 1 1 A 22 22 ALA HA H 22 4.191 4.099 0.092 1 1 274 . 14 1 1 A 22 22 ALA C C 22 181.475 180.137 1.338 1 1 275 . 14 1 1 A 22 22 ALA CA C 22 54.631 54.983 -0.352 1 1 276 . 14 1 1 A 22 22 ALA CB C 22 17.907 18.342 -0.435 1 1 277 . 14 1 1 A 22 22 ALA N N 22 121.474 122.582 -1.108 1 1 278 . 14 1 1 A 23 23 LEU H H 23 8.751 8.381 0.370 1 1 279 . 14 1 1 A 23 23 LEU HA H 23 3.906 3.840 0.066 1 1 289 . 14 1 1 A 23 23 LEU C C 23 177.996 179.229 -1.233 1 1 290 . 14 1 1 A 23 23 LEU CA C 23 58.155 58.167 -0.012 1 1 291 . 14 1 1 A 23 23 LEU CB C 23 42.020 41.435 0.585 1 1 295 . 14 1 1 A 23 23 LEU N N 23 122.246 120.010 2.236 1 1 296 . 14 1 1 A 24 24 GLU H H 24 8.247 8.528 -0.281 1 1 297 . 14 1 1 A 24 24 GLU HA H 24 3.971 3.886 0.085 1 1 302 . 14 1 1 A 24 24 GLU C C 24 179.751 178.919 0.832 1 1 303 . 14 1 1 A 24 24 GLU CA C 24 59.506 60.173 -0.667 1 1 304 . 14 1 1 A 24 24 GLU CB C 24 28.849 29.535 -0.686 1 1 306 . 14 1 1 A 24 24 GLU N N 24 119.875 117.687 2.188 1 1 307 . 14 1 1 A 25 25 GLU H H 25 7.736 7.815 -0.079 1 1 308 . 14 1 1 A 25 25 GLU HA H 25 4.013 4.105 -0.092 1 1 313 . 14 1 1 A 25 25 GLU C C 25 179.204 179.039 0.165 1 1 314 . 14 1 1 A 25 25 GLU CA C 25 59.058 59.272 -0.214 1 1 315 . 14 1 1 A 25 25 GLU CB C 25 29.238 29.379 -0.141 1 1 317 . 14 1 1 A 25 25 GLU N N 25 118.451 119.613 -1.162 1 1 318 . 14 1 1 A 26 26 PHE H H 26 8.389 8.292 0.097 1 1 319 . 14 1 1 A 26 26 PHE HA H 26 4.218 4.082 0.136 1 1 327 . 14 1 1 A 26 26 PHE C C 26 178.732 176.665 2.067 1 1 328 . 14 1 1 A 26 26 PHE CA C 26 61.020 61.389 -0.369 1 1 329 . 14 1 1 A 26 26 PHE CB C 26 39.383 39.144 0.239 1 1 333 . 14 1 1 A 26 26 PHE N N 26 122.243 121.303 0.940 1 1 334 . 14 1 1 A 27 27 LEU H H 27 8.643 8.435 0.208 1 1 335 . 14 1 1 A 27 27 LEU HA H 27 3.666 3.899 -0.233 1 1 345 . 14 1 1 A 27 27 LEU C C 27 179.172 179.196 -0.024 1 1 346 . 14 1 1 A 27 27 LEU CA C 27 57.728 57.724 0.004 1 1 347 . 14 1 1 A 27 27 LEU CB C 27 42.008 40.994 1.014 1 1 351 . 14 1 1 A 27 27 LEU N N 27 119.374 118.793 0.581 1 1 352 . 14 1 1 A 28 28 GLN H H 28 7.536 7.316 0.220 1 1 353 . 14 1 1 A 28 28 GLN HA H 28 4.215 4.183 0.032 1 1 360 . 14 1 1 A 28 28 GLN C C 28 177.261 176.697 0.564 1 1 361 . 14 1 1 A 28 28 GLN CA C 28 57.287 58.098 -0.811 1 1 362 . 14 1 1 A 28 28 GLN CB C 28 28.832 28.839 -0.007 1 1 364 . 14 1 1 A 28 28 GLN N N 28 116.095 116.356 -0.261 1 1 366 . 14 1 1 A 29 29 THR H H 29 7.480 7.824 -0.344 1 1 367 . 14 1 1 A 29 29 THR HA H 29 4.332 4.523 -0.191 1 1 372 . 14 1 1 A 29 29 THR C C 29 174.092 174.064 0.028 1 1 373 . 14 1 1 A 29 29 THR CA C 29 62.533 63.635 -1.102 1 1 374 . 14 1 1 A 29 29 THR CB C 29 70.435 70.749 -0.314 1 1 376 . 14 1 1 A 29 29 THR N N 29 108.609 114.065 -5.456 1 1 377 . 14 1 1 A 30 30 GLU H H 30 7.935 8.069 -0.134 1 1 378 . 14 1 1 A 30 30 GLU HA H 30 4.221 4.614 -0.393 1 1 383 . 14 1 1 A 30 30 GLU CA C 30 54.719 53.866 0.853 1 1 384 . 14 1 1 A 30 30 GLU CB C 30 28.002 29.655 -1.653 1 1 386 . 14 1 1 A 30 30 GLU N N 30 119.400 118.808 0.592 1 1 387 . 14 1 1 A 31 31 PRO HA H 31 4.430 4.348 0.082 1 1 394 . 14 1 1 A 31 31 PRO C C 31 177.447 177.904 -0.457 1 1 395 . 14 1 1 A 31 31 PRO CA C 31 62.992 64.707 -1.715 1 1 396 . 14 1 1 A 31 31 PRO CB C 31 32.354 32.078 0.276 1 1 399 . 14 1 1 A 32 32 VAL H H 32 7.989 7.688 0.301 1 1 400 . 14 1 1 A 32 32 VAL HA H 32 4.211 3.893 0.318 1 1 408 . 14 1 1 A 32 32 VAL C C 32 176.778 177.663 -0.885 1 1 409 . 14 1 1 A 32 32 VAL CA C 32 62.755 64.698 -1.943 1 1 410 . 14 1 1 A 32 32 VAL CB C 32 32.697 31.418 1.279 1 1 412 . 14 1 1 A 32 32 VAL N N 32 118.439 116.065 2.374 1 1 413 . 14 1 1 A 33 33 GLY H H 33 8.764 8.164 0.600 1 1 414 . 14 1 1 A 33 33 GLY HA2 H 33 4.195 4.137 0.058 1 1 415 . 14 1 1 A 33 33 GLY HA3 H 33 4.195 4.326 -0.131 1 1 416 . 14 1 1 A 33 33 GLY C C 33 176.287 175.380 0.907 1 1 417 . 14 1 1 A 33 33 GLY CA C 33 45.917 45.568 0.349 1 1 418 . 14 1 1 A 33 33 GLY N N 33 111.588 108.371 3.217 1 1 419 . 14 1 1 A 34 34 LYS H H 34 8.296 7.844 0.452 1 1 420 . 14 1 1 A 34 34 LYS HA H 34 3.839 4.226 -0.387 1 1 429 . 14 1 1 A 34 34 LYS C C 34 177.040 179.237 -2.197 1 1 430 . 14 1 1 A 34 34 LYS CA C 34 59.883 59.637 0.246 1 1 431 . 14 1 1 A 34 34 LYS CB C 34 32.883 32.206 0.677 1 1 435 . 14 1 1 A 34 34 LYS N N 34 119.887 119.937 -0.050 1 1 436 . 14 1 1 A 35 35 ASP H H 35 9.065 8.682 0.383 1 1 437 . 14 1 1 A 35 35 ASP HA H 35 4.362 4.513 -0.151 1 1 440 . 14 1 1 A 35 35 ASP C C 35 177.018 178.538 -1.520 1 1 441 . 14 1 1 A 35 35 ASP CA C 35 57.636 57.294 0.342 1 1 442 . 14 1 1 A 35 35 ASP CB C 35 41.086 40.041 1.045 1 1 443 . 14 1 1 A 35 35 ASP N N 35 115.065 118.442 -3.377 1 1 444 . 14 1 1 A 36 36 GLU H H 36 7.474 8.234 -0.760 1 1 445 . 14 1 1 A 36 36 GLU HA H 36 4.275 4.126 0.149 1 1 450 . 14 1 1 A 36 36 GLU C C 36 178.261 178.514 -0.253 1 1 451 . 14 1 1 A 36 36 GLU CA C 36 59.046 59.360 -0.314 1 1 452 . 14 1 1 A 36 36 GLU CB C 36 29.283 29.118 0.165 1 1 454 . 14 1 1 A 36 36 GLU N N 36 121.291 119.906 1.385 1 1 455 . 14 1 1 A 37 37 ALA H H 37 7.674 8.052 -0.378 1 1 456 . 14 1 1 A 37 37 ALA HA H 37 3.887 3.994 -0.107 1 1 460 . 14 1 1 A 37 37 ALA C C 37 179.161 179.570 -0.409 1 1 461 . 14 1 1 A 37 37 ALA CA C 37 55.091 54.974 0.117 1 1 462 . 14 1 1 A 37 37 ALA CB C 37 17.925 18.081 -0.156 1 1 463 . 14 1 1 A 37 37 ALA N N 37 120.365 121.928 -1.563 1 1 464 . 14 1 1 A 38 38 TYR H H 38 8.175 8.426 -0.251 1 1 465 . 14 1 1 A 38 38 TYR HA H 38 4.422 4.348 0.074 1 1 472 . 14 1 1 A 38 38 TYR C C 38 178.497 178.336 0.161 1 1 473 . 14 1 1 A 38 38 TYR CA C 38 62.662 61.024 1.638 1 1 474 . 14 1 1 A 38 38 TYR CB C 38 37.996 38.001 -0.005 1 1 477 . 14 1 1 A 38 38 TYR N N 38 117.027 116.006 1.021 1 1 478 . 14 1 1 A 39 39 TYR H H 39 8.321 8.095 0.226 1 1 479 . 14 1 1 A 39 39 TYR HA H 39 4.413 4.330 0.083 1 1 486 . 14 1 1 A 39 39 TYR C C 39 176.311 177.092 -0.781 1 1 487 . 14 1 1 A 39 39 TYR CA C 39 60.856 61.882 -1.026 1 1 488 . 14 1 1 A 39 39 TYR CB C 39 38.015 39.135 -1.120 1 1 491 . 14 1 1 A 39 39 TYR N N 39 120.527 120.962 -0.435 1 1 492 . 14 1 1 A 40 40 LEU H H 40 8.508 8.715 -0.207 1 1 493 . 14 1 1 A 40 40 LEU HA H 40 3.585 3.835 -0.250 1 1 503 . 14 1 1 A 40 40 LEU C C 40 178.857 179.174 -0.317 1 1 504 . 14 1 1 A 40 40 LEU CA C 40 57.723 57.840 -0.117 1 1 505 . 14 1 1 A 40 40 LEU CB C 40 41.543 41.346 0.197 1 1 509 . 14 1 1 A 40 40 LEU N N 40 118.925 120.457 -1.532 1 1 510 . 14 1 1 A 41 41 MET H H 41 8.661 8.363 0.298 1 1 511 . 14 1 1 A 41 41 MET HA H 41 3.611 4.019 -0.408 1 1 519 . 14 1 1 A 41 41 MET C C 41 178.325 178.871 -0.546 1 1 520 . 14 1 1 A 41 41 MET CA C 41 59.498 59.225 0.273 1 1 521 . 14 1 1 A 41 41 MET CB C 41 32.806 32.556 0.250 1 1 524 . 14 1 1 A 41 41 MET N N 41 119.892 117.581 2.311 1 1 525 . 14 1 1 A 42 42 GLY H H 42 8.531 8.271 0.260 1 1 526 . 14 1 1 A 42 42 GLY HA2 H 42 3.564 2.673 0.891 1 1 527 . 14 1 1 A 42 42 GLY HA3 H 42 3.164 3.497 -0.333 1 1 528 . 14 1 1 A 42 42 GLY C C 42 174.726 176.036 -1.310 1 1 529 . 14 1 1 A 42 42 GLY CA C 42 48.104 47.017 1.087 1 1 530 . 14 1 1 A 42 42 GLY N N 42 107.064 108.424 -1.360 1 1 531 . 14 1 1 A 43 43 ASN H H 43 8.260 7.684 0.576 1 1 532 . 14 1 1 A 43 43 ASN HA H 43 4.334 4.479 -0.145 1 1 537 . 14 1 1 A 43 43 ASN C C 43 178.111 177.814 0.297 1 1 538 . 14 1 1 A 43 43 ASN CA C 43 54.966 56.372 -1.406 1 1 539 . 14 1 1 A 43 43 ASN CB C 43 36.326 38.185 -1.859 1 1 540 . 14 1 1 A 43 43 ASN N N 43 120.815 120.083 0.732 1 1 542 . 14 1 1 A 44 44 ALA H H 44 8.487 7.772 0.715 1 1 543 . 14 1 1 A 44 44 ALA HA H 44 3.788 3.955 -0.167 1 1 547 . 14 1 1 A 44 44 ALA C C 44 178.389 179.352 -0.963 1 1 548 . 14 1 1 A 44 44 ALA CA C 44 55.152 54.949 0.203 1 1 549 . 14 1 1 A 44 44 ALA CB C 44 16.897 17.894 -0.997 1 1 550 . 14 1 1 A 44 44 ALA N N 44 125.304 123.075 2.229 1 1 551 . 14 1 1 A 45 45 TYR H H 45 8.160 8.238 -0.078 1 1 552 . 14 1 1 A 45 45 TYR HA H 45 4.168 4.231 -0.063 1 1 559 . 14 1 1 A 45 45 TYR C C 45 178.775 179.008 -0.233 1 1 560 . 14 1 1 A 45 45 TYR CA C 45 62.995 61.696 1.299 1 1 561 . 14 1 1 A 45 45 TYR CB C 45 36.944 37.872 -0.928 1 1 564 . 14 1 1 A 45 45 TYR N N 45 115.156 115.855 -0.699 1 1 565 . 14 1 1 A 46 46 ARG H H 46 8.901 8.228 0.673 1 1 566 . 14 1 1 A 46 46 ARG HA H 46 3.677 3.661 0.016 1 1 573 . 14 1 1 A 46 46 ARG C C 46 179.396 178.520 0.876 1 1 574 . 14 1 1 A 46 46 ARG CA C 46 59.924 58.411 1.513 1 1 575 . 14 1 1 A 46 46 ARG CB C 46 30.131 29.773 0.358 1 1 578 . 14 1 1 A 46 46 ARG N N 46 121.781 118.824 2.957 1 1 579 . 14 1 1 A 47 47 LYS H H 47 7.813 7.445 0.368 1 1 580 . 14 1 1 A 47 47 LYS HA H 47 4.058 4.180 -0.122 1 1 589 . 14 1 1 A 47 47 LYS C C 47 178.111 179.235 -1.124 1 1 590 . 14 1 1 A 47 47 LYS CA C 47 58.950 58.937 0.013 1 1 591 . 14 1 1 A 47 47 LYS CB C 47 31.906 31.759 0.147 1 1 595 . 14 1 1 A 47 47 LYS N N 47 120.818 119.631 1.187 1 1 596 . 14 1 1 A 48 48 LEU H H 48 7.312 7.257 0.055 1 1 597 . 14 1 1 A 48 48 LEU HA H 48 4.228 3.984 0.244 1 1 607 . 14 1 1 A 48 48 LEU C C 48 177.254 176.679 0.575 1 1 608 . 14 1 1 A 48 48 LEU CA C 48 54.908 56.429 -1.521 1 1 609 . 14 1 1 A 48 48 LEU CB C 48 42.475 42.574 -0.099 1 1 613 . 14 1 1 A 48 48 LEU N N 48 116.553 117.217 -0.664 1 1 614 . 14 1 1 A 49 49 GLY H H 49 7.564 7.862 -0.298 1 1 615 . 14 1 1 A 49 49 GLY HA2 H 49 3.607 3.539 0.068 1 1 616 . 14 1 1 A 49 49 GLY HA3 H 49 2.316 3.868 -1.552 1 1 617 . 14 1 1 A 49 49 GLY C C 49 172.900 173.489 -0.589 1 1 618 . 14 1 1 A 49 49 GLY CA C 49 44.184 44.506 -0.322 1 1 619 . 14 1 1 A 49 49 GLY N N 49 107.326 105.753 1.573 1 1 620 . 14 1 1 A 50 50 ASP H H 50 7.670 7.692 -0.022 1 1 621 . 14 1 1 A 50 50 ASP HA H 50 4.564 4.570 -0.006 1 1 624 . 14 1 1 A 50 50 ASP C C 50 175.681 175.901 -0.220 1 1 625 . 14 1 1 A 50 50 ASP CA C 50 51.083 53.163 -2.080 1 1 626 . 14 1 1 A 50 50 ASP CB C 50 39.169 41.088 -1.919 1 1 627 . 14 1 1 A 50 50 ASP N N 50 120.356 120.266 0.090 1 1 628 . 14 1 1 A 51 51 TRP H H 51 6.939 8.266 -1.327 1 1 629 . 14 1 1 A 51 51 TRP HA H 51 4.314 4.632 -0.318 1 1 638 . 14 1 1 A 51 51 TRP C C 51 178.047 178.401 -0.354 1 1 639 . 14 1 1 A 51 51 TRP CA C 51 58.473 59.492 -1.019 1 1 640 . 14 1 1 A 51 51 TRP CB C 51 30.099 30.395 -0.296 1 1 646 . 14 1 1 A 51 51 TRP N N 51 121.784 125.864 -4.080 1 1 648 . 14 1 1 A 52 52 GLN H H 52 8.677 8.504 0.173 1 1 649 . 14 1 1 A 52 52 GLN HA H 52 3.960 3.930 0.030 1 1 656 . 14 1 1 A 52 52 GLN C C 52 178.454 178.855 -0.401 1 1 657 . 14 1 1 A 52 52 GLN CA C 52 58.925 59.298 -0.373 1 1 658 . 14 1 1 A 52 52 GLN CB C 52 28.183 28.312 -0.129 1 1 660 . 14 1 1 A 52 52 GLN N N 52 117.018 120.364 -3.346 1 1 662 . 14 1 1 A 53 53 LYS H H 53 7.392 8.499 -1.107 1 1 663 . 14 1 1 A 53 53 LYS HA H 53 3.774 3.886 -0.112 1 1 672 . 14 1 1 A 53 53 LYS C C 53 180.361 179.041 1.320 1 1 673 . 14 1 1 A 53 53 LYS CA C 53 59.764 58.831 0.933 1 1 674 . 14 1 1 A 53 53 LYS CB C 53 30.802 31.026 -0.224 1 1 678 . 14 1 1 A 53 53 LYS N N 53 117.913 118.851 -0.938 1 1 679 . 14 1 1 A 54 54 ALA H H 54 8.223 8.078 0.145 1 1 680 . 14 1 1 A 54 54 ALA HA H 54 4.012 3.877 0.135 1 1 684 . 14 1 1 A 54 54 ALA C C 54 177.635 180.091 -2.456 1 1 685 . 14 1 1 A 54 54 ALA CA C 54 55.792 55.102 0.690 1 1 686 . 14 1 1 A 54 54 ALA CB C 54 17.045 18.405 -1.360 1 1 687 . 14 1 1 A 54 54 ALA N N 54 123.665 121.732 1.933 1 1 688 . 14 1 1 A 55 55 LEU H H 55 8.425 8.273 0.152 1 1 689 . 14 1 1 A 55 55 LEU HA H 55 4.010 4.187 -0.177 1 1 699 . 14 1 1 A 55 55 LEU C C 55 179.568 179.371 0.197 1 1 700 . 14 1 1 A 55 55 LEU CA C 55 58.611 57.993 0.618 1 1 701 . 14 1 1 A 55 55 LEU CB C 55 41.500 41.293 0.207 1 1 705 . 14 1 1 A 55 55 LEU N N 55 116.583 118.214 -1.631 1 1 706 . 14 1 1 A 56 56 ASN H H 56 8.284 7.973 0.311 1 1 707 . 14 1 1 A 56 56 ASN HA H 56 4.360 4.425 -0.065 1 1 712 . 14 1 1 A 56 56 ASN C C 56 177.790 178.216 -0.426 1 1 713 . 14 1 1 A 56 56 ASN CA C 56 55.852 56.271 -0.419 1 1 714 . 14 1 1 A 56 56 ASN CB C 56 37.882 37.819 0.063 1 1 715 . 14 1 1 A 56 56 ASN N N 56 117.763 118.811 -1.048 1 1 717 . 14 1 1 A 57 57 ASN H H 57 7.600 8.007 -0.407 1 1 718 . 14 1 1 A 57 57 ASN HA H 57 4.425 4.499 -0.074 1 1 723 . 14 1 1 A 57 57 ASN C C 57 177.404 178.219 -0.815 1 1 724 . 14 1 1 A 57 57 ASN CA C 57 58.105 56.027 2.078 1 1 725 . 14 1 1 A 57 57 ASN CB C 57 38.931 38.587 0.344 1 1 726 . 14 1 1 A 57 57 ASN N N 57 118.927 117.454 1.473 1 1 728 . 14 1 1 A 58 58 TYR H H 58 8.838 8.099 0.739 1 1 729 . 14 1 1 A 58 58 TYR HA H 58 4.667 4.317 0.350 1 1 736 . 14 1 1 A 58 58 TYR C C 58 178.047 178.328 -0.281 1 1 737 . 14 1 1 A 58 58 TYR CA C 58 58.430 62.044 -3.614 1 1 738 . 14 1 1 A 58 58 TYR CB C 58 36.743 38.065 -1.322 1 1 741 . 14 1 1 A 58 58 TYR N N 58 118.473 119.199 -0.726 1 1 742 . 14 1 1 A 59 59 GLN H H 59 8.572 8.461 0.111 1 1 743 . 14 1 1 A 59 59 GLN HA H 59 4.022 3.934 0.088 1 1 750 . 14 1 1 A 59 59 GLN C C 59 178.040 178.008 0.032 1 1 751 . 14 1 1 A 59 59 GLN CA C 59 59.054 58.922 0.132 1 1 752 . 14 1 1 A 59 59 GLN CB C 59 27.126 28.237 -1.111 1 1 754 . 14 1 1 A 59 59 GLN N N 59 118.483 120.469 -1.986 1 1 756 . 14 1 1 A 60 60 SER H H 60 7.696 7.960 -0.264 1 1 757 . 14 1 1 A 60 60 SER HA H 60 3.931 3.901 0.030 1 1 760 . 14 1 1 A 60 60 SER C C 60 175.926 176.093 -0.167 1 1 761 . 14 1 1 A 60 60 SER CA C 60 62.121 61.486 0.635 1 1 762 . 14 1 1 A 60 60 SER CB C 60 61.244 62.005 -0.761 1 1 763 . 14 1 1 A 60 60 SER N N 60 116.103 116.777 -0.674 1 1 764 . 14 1 1 A 61 61 ALA H H 61 7.739 7.684 0.055 1 1 765 . 14 1 1 A 61 61 ALA HA H 61 4.075 4.227 -0.152 1 1 769 . 14 1 1 A 61 61 ALA C C 61 178.686 179.768 -1.082 1 1 770 . 14 1 1 A 61 61 ALA CA C 61 56.019 55.237 0.782 1 1 771 . 14 1 1 A 61 61 ALA CB C 61 18.790 18.432 0.358 1 1 772 . 14 1 1 A 61 61 ALA N N 61 122.319 122.813 -0.494 1 1 773 . 14 1 1 A 62 62 ILE H H 62 7.991 8.161 -0.170 1 1 774 . 14 1 1 A 62 62 ILE HA H 62 3.857 3.652 0.205 1 1 784 . 14 1 1 A 62 62 ILE C C 62 178.131 177.991 0.140 1 1 785 . 14 1 1 A 62 62 ILE CA C 62 63.418 65.123 -1.705 1 1 786 . 14 1 1 A 62 62 ILE CB C 62 39.119 37.647 1.472 1 1 790 . 14 1 1 A 62 62 ILE N N 62 117.981 119.005 -1.024 1 1 791 . 14 1 1 A 63 63 GLU H H 63 7.988 8.214 -0.226 1 1 792 . 14 1 1 A 63 63 GLU HA H 63 3.902 4.205 -0.303 1 1 797 . 14 1 1 A 63 63 GLU C C 63 178.564 177.583 0.981 1 1 798 . 14 1 1 A 63 63 GLU CA C 63 58.594 58.508 0.086 1 1 799 . 14 1 1 A 63 63 GLU CB C 63 29.278 29.772 -0.494 1 1 801 . 14 1 1 A 63 63 GLU N N 63 118.190 120.201 -2.011 1 1 802 . 14 1 1 A 64 64 LEU H H 64 7.024 7.444 -0.420 1 1 803 . 14 1 1 A 64 64 LEU HA H 64 4.347 4.306 0.041 1 1 813 . 14 1 1 A 64 64 LEU C C 64 177.496 176.868 0.628 1 1 814 . 14 1 1 A 64 64 LEU CA C 64 55.810 56.251 -0.441 1 1 815 . 14 1 1 A 64 64 LEU CB C 64 43.746 43.617 0.129 1 1 819 . 14 1 1 A 64 64 LEU N N 64 116.109 118.423 -2.314 1 1 820 . 14 1 1 A 65 65 ASN H H 65 8.270 8.673 -0.403 1 1 821 . 14 1 1 A 65 65 ASN HA H 65 5.068 5.088 -0.020 1 1 826 . 14 1 1 A 65 65 ASN C C 65 172.512 173.881 -1.369 1 1 827 . 14 1 1 A 65 65 ASN CA C 65 49.457 49.647 -0.190 1 1 828 . 14 1 1 A 65 65 ASN CB C 65 38.936 40.056 -1.120 1 1 829 . 14 1 1 A 65 65 ASN N N 65 116.544 115.973 0.571 1 1 831 . 14 1 1 A 66 66 PRO HA H 66 4.467 4.592 -0.125 1 1 838 . 14 1 1 A 66 66 PRO C C 66 176.054 176.521 -0.467 1 1 839 . 14 1 1 A 66 66 PRO CA C 66 63.894 64.094 -0.200 1 1 840 . 14 1 1 A 66 66 PRO CB C 66 31.935 31.769 0.166 1 1 843 . 14 1 1 A 67 67 ASP H H 67 7.326 8.096 -0.770 1 1 844 . 14 1 1 A 67 67 ASP HA H 67 4.863 4.913 -0.050 1 1 847 . 14 1 1 A 67 67 ASP C C 67 175.647 175.293 0.354 1 1 848 . 14 1 1 A 67 67 ASP CA C 67 53.273 53.040 0.233 1 1 849 . 14 1 1 A 67 67 ASP CB C 67 41.453 41.390 0.063 1 1 850 . 14 1 1 A 67 67 ASP N N 67 114.579 117.926 -3.347 1 1 851 . 14 1 1 A 68 68 SER H H 68 7.670 7.265 0.405 1 1 852 . 14 1 1 A 68 68 SER HA H 68 4.315 4.611 -0.296 1 1 856 . 14 1 1 A 68 68 SER C C 68 175.108 174.646 0.462 1 1 857 . 14 1 1 A 68 68 SER CA C 68 56.422 56.688 -0.266 1 1 858 . 14 1 1 A 68 68 SER CB C 68 63.880 63.377 0.503 1 1 859 . 14 1 1 A 68 68 SER N N 68 115.624 114.758 0.866 1 1 860 . 14 1 1 A 69 69 PRO HA H 69 4.588 4.878 -0.290 1 1 867 . 14 1 1 A 69 69 PRO C C 69 177.083 177.357 -0.274 1 1 868 . 14 1 1 A 69 69 PRO CA C 69 63.870 64.158 -0.288 1 1 869 . 14 1 1 A 69 69 PRO CB C 69 30.612 31.453 -0.841 1 1 872 . 14 1 1 A 70 70 ALA H H 70 8.442 8.157 0.285 1 1 873 . 14 1 1 A 70 70 ALA HA H 70 3.679 4.126 -0.447 1 1 877 . 14 1 1 A 70 70 ALA C C 70 177.667 180.217 -2.550 1 1 878 . 14 1 1 A 70 70 ALA CA C 70 54.025 54.906 -0.881 1 1 879 . 14 1 1 A 70 70 ALA CB C 70 20.741 18.709 2.032 1 1 880 . 14 1 1 A 70 70 ALA N N 70 121.749 121.213 0.536 1 1 881 . 14 1 1 A 71 71 LEU H H 71 7.956 7.930 0.026 1 1 882 . 14 1 1 A 71 71 LEU HA H 71 3.883 3.857 0.026 1 1 892 . 14 1 1 A 71 71 LEU C C 71 179.241 179.095 0.146 1 1 893 . 14 1 1 A 71 71 LEU CA C 71 58.602 58.163 0.439 1 1 894 . 14 1 1 A 71 71 LEU CB C 71 41.987 41.705 0.282 1 1 898 . 14 1 1 A 71 71 LEU N N 71 119.448 119.421 0.027 1 1 899 . 14 1 1 A 72 72 GLN H H 72 7.464 8.126 -0.662 1 1 900 . 14 1 1 A 72 72 GLN HA H 72 4.049 4.080 -0.031 1 1 907 . 14 1 1 A 72 72 GLN C C 72 178.432 178.718 -0.286 1 1 908 . 14 1 1 A 72 72 GLN CA C 72 58.626 58.802 -0.176 1 1 909 . 14 1 1 A 72 72 GLN CB C 72 27.557 28.383 -0.826 1 1 911 . 14 1 1 A 72 72 GLN N N 72 117.976 117.788 0.188 1 1 913 . 14 1 1 A 73 73 ALA H H 73 7.296 8.244 -0.948 1 1 914 . 14 1 1 A 73 73 ALA HA H 73 4.017 3.977 0.040 1 1 918 . 14 1 1 A 73 73 ALA C C 73 178.775 179.024 -0.249 1 1 919 . 14 1 1 A 73 73 ALA CA C 73 54.688 55.145 -0.457 1 1 920 . 14 1 1 A 73 73 ALA CB C 73 17.473 17.935 -0.462 1 1 921 . 14 1 1 A 73 73 ALA N N 73 123.083 122.656 0.427 1 1 922 . 14 1 1 A 74 74 ARG H H 74 8.328 7.710 0.618 1 1 923 . 14 1 1 A 74 74 ARG HA H 74 3.820 4.024 -0.204 1 1 931 . 14 1 1 A 74 74 ARG C C 74 177.297 178.968 -1.671 1 1 932 . 14 1 1 A 74 74 ARG CA C 74 59.805 59.265 0.540 1 1 933 . 14 1 1 A 74 74 ARG CB C 74 29.773 29.764 0.009 1 1 936 . 14 1 1 A 74 74 ARG N N 74 117.535 118.298 -0.763 1 1 938 . 14 1 1 A 75 75 LYS H H 75 7.123 7.725 -0.602 1 1 939 . 14 1 1 A 75 75 LYS HA H 75 3.960 4.063 -0.103 1 1 948 . 14 1 1 A 75 75 LYS C C 75 178.071 179.220 -1.149 1 1 949 . 14 1 1 A 75 75 LYS CA C 75 59.488 58.833 0.655 1 1 950 . 14 1 1 A 75 75 LYS CB C 75 31.928 31.667 0.261 1 1 954 . 14 1 1 A 75 75 LYS N N 75 119.136 118.518 0.618 1 1 955 . 14 1 1 A 76 76 MET H H 76 7.673 8.149 -0.476 1 1 956 . 14 1 1 A 76 76 MET HA H 76 4.205 4.130 0.075 1 1 964 . 14 1 1 A 76 76 MET C C 76 178.925 178.767 0.158 1 1 965 . 14 1 1 A 76 76 MET CA C 76 58.637 58.275 0.362 1 1 966 . 14 1 1 A 76 76 MET CB C 76 32.344 32.298 0.046 1 1 969 . 14 1 1 A 76 76 MET N N 76 116.794 118.667 -1.873 1 1 970 . 14 1 1 A 77 77 VAL H H 77 7.928 7.939 -0.011 1 1 971 . 14 1 1 A 77 77 VAL HA H 77 3.601 3.437 0.164 1 1 979 . 14 1 1 A 77 77 VAL C C 77 177.318 178.125 -0.807 1 1 980 . 14 1 1 A 77 77 VAL CA C 77 66.468 66.620 -0.152 1 1 981 . 14 1 1 A 77 77 VAL CB C 77 31.477 31.980 -0.503 1 1 984 . 14 1 1 A 77 77 VAL N N 77 117.999 120.748 -2.749 1 1 985 . 14 1 1 A 78 78 MET H H 78 8.446 8.390 0.056 1 1 986 . 14 1 1 A 78 78 MET HA H 78 4.136 4.301 -0.165 1 1 994 . 14 1 1 A 78 78 MET C C 78 178.542 177.926 0.616 1 1 995 . 14 1 1 A 78 78 MET CA C 78 58.514 58.433 0.081 1 1 996 . 14 1 1 A 78 78 MET CB C 78 31.036 31.895 -0.859 1 1 999 . 14 1 1 A 78 78 MET N N 78 119.079 117.518 1.561 1 1 1000 . 14 1 1 A 79 79 ASP H H 79 8.202 8.409 -0.207 1 1 1001 . 14 1 1 A 79 79 ASP HA H 79 4.419 4.226 0.193 1 1 1004 . 14 1 1 A 79 79 ASP C C 79 179.097 178.355 0.742 1 1 1005 . 14 1 1 A 79 79 ASP CA C 79 57.277 57.554 -0.277 1 1 1006 . 14 1 1 A 79 79 ASP CB C 79 39.813 41.448 -1.635 1 1 1007 . 14 1 1 A 79 79 ASP N N 79 119.422 120.243 -0.821 1 1 1008 . 14 1 1 A 80 80 ILE H H 80 7.625 7.704 -0.079 1 1 1009 . 14 1 1 A 80 80 ILE HA H 80 3.643 3.362 0.281 1 1 1019 . 14 1 1 A 80 80 ILE C C 80 178.024 178.147 -0.123 1 1 1020 . 14 1 1 A 80 80 ILE CA C 80 64.717 65.114 -0.397 1 1 1021 . 14 1 1 A 80 80 ILE CB C 80 37.661 37.301 0.360 1 1 1025 . 14 1 1 A 80 80 ILE N N 80 121.750 118.944 2.806 1 1 1026 . 14 1 1 A 81 81 LEU H H 81 8.071 8.066 0.005 1 1 1027 . 14 1 1 A 81 81 LEU HA H 81 3.908 3.645 0.263 1 1 1037 . 14 1 1 A 81 81 LEU C C 81 178.852 178.977 -0.125 1 1 1038 . 14 1 1 A 81 81 LEU CA C 81 57.329 57.856 -0.527 1 1 1039 . 14 1 1 A 81 81 LEU CB C 81 41.544 40.873 0.671 1 1 1043 . 14 1 1 A 81 81 LEU N N 81 119.850 118.933 0.917 1 1 1044 . 14 1 1 A 82 82 ASN H H 82 8.188 7.956 0.232 1 1 1045 . 14 1 1 A 82 82 ASN HA H 82 4.417 3.720 0.697 1 1 1050 . 14 1 1 A 82 82 ASN C C 82 176.440 177.347 -0.907 1 1 1051 . 14 1 1 A 82 82 ASN CA C 82 55.011 55.949 -0.938 1 1 1052 . 14 1 1 A 82 82 ASN CB C 82 38.461 38.209 0.252 1 1 1053 . 14 1 1 A 82 82 ASN N N 82 116.186 117.344 -1.158 1 1 1055 . 14 1 1 A 83 83 PHE H H 83 7.779 7.765 0.014 1 1 1056 . 14 1 1 A 83 83 PHE HA H 83 4.352 4.165 0.187 1 1 1064 . 14 1 1 A 83 83 PHE C C 83 176.767 177.095 -0.328 1 1 1065 . 14 1 1 A 83 83 PHE CA C 83 59.557 61.280 -1.723 1 1 1066 . 14 1 1 A 83 83 PHE CB C 83 38.944 38.658 0.286 1 1 1070 . 14 1 1 A 83 83 PHE N N 83 118.925 119.609 -0.684 1 1 1071 . 14 1 1 A 84 84 TYR H H 84 8.057 8.036 0.021 1 1 1072 . 14 1 1 A 84 84 TYR HA H 84 4.388 4.280 0.108 1 1 1079 . 14 1 1 A 84 84 TYR C C 84 176.233 175.934 0.299 1 1 1080 . 14 1 1 A 84 84 TYR CA C 84 59.261 60.075 -0.814 1 1 1081 . 14 1 1 A 84 84 TYR CB C 84 38.503 38.663 -0.160 1 1 1084 . 14 1 1 A 84 84 TYR N N 84 118.223 117.490 0.733 1 1 1085 . 14 1 1 A 85 85 ASN H H 85 8.192 7.820 0.372 1 1 1086 . 14 1 1 A 85 85 ASN HA H 85 4.679 5.171 -0.492 1 1 1091 . 14 1 1 A 85 85 ASN C C 85 175.367 173.418 1.949 1 1 1092 . 14 1 1 A 85 85 ASN CA C 85 53.261 51.683 1.578 1 1 1093 . 14 1 1 A 85 85 ASN CB C 85 38.501 41.724 -3.223 1 1 1094 . 14 1 1 A 85 85 ASN N N 85 118.935 112.332 6.603 1 1 1096 . 14 1 1 A 86 86 LYS H H 86 8.151 8.801 -0.650 1 1 1097 . 14 1 1 A 86 86 LYS HA H 86 4.151 4.374 -0.223 1 1 1106 . 14 1 1 A 86 86 LYS C C 86 176.981 175.509 1.472 1 1 1107 . 14 1 1 A 86 86 LYS CA C 86 57.714 55.523 2.191 1 1 1108 . 14 1 1 A 86 86 LYS CB C 86 32.368 31.150 1.218 1 1 1112 . 14 1 1 A 86 86 LYS N N 86 121.533 124.986 -3.453 1 1 1113 . 14 1 1 A 87 87 ASP H H 87 8.269 8.480 -0.211 1 1 1114 . 14 1 1 A 87 87 ASP HA H 87 4.553 4.961 -0.408 1 1 1117 . 14 1 1 A 87 87 ASP C C 87 177.209 177.648 -0.439 1 1 1118 . 14 1 1 A 87 87 ASP CA C 87 55.538 55.706 -0.168 1 1 1119 . 14 1 1 A 87 87 ASP CB C 87 40.677 42.372 -1.695 1 1 1120 . 14 1 1 A 87 87 ASP N N 87 119.408 126.162 -6.754 1 1 1121 . 14 1 1 A 88 88 MET H H 88 7.941 8.315 -0.374 1 1 1122 . 14 1 1 A 88 88 MET HA H 88 4.257 4.382 -0.125 1 1 1130 . 14 1 1 A 88 88 MET C C 88 176.851 176.060 0.791 1 1 1131 . 14 1 1 A 88 88 MET CA C 88 56.461 57.227 -0.766 1 1 1132 . 14 1 1 A 88 88 MET CB C 88 32.371 32.635 -0.264 1 1 1135 . 14 1 1 A 88 88 MET N N 88 119.377 118.127 1.250 1 1 1136 . 14 1 1 A 89 89 TYR H H 89 8.094 7.773 0.321 1 1 1137 . 14 1 1 A 89 89 TYR HA H 89 4.350 4.564 -0.214 1 1 1144 . 14 1 1 A 89 89 TYR C C 89 176.252 175.376 0.876 1 1 1145 . 14 1 1 A 89 89 TYR CA C 89 59.097 57.309 1.788 1 1 1146 . 14 1 1 A 89 89 TYR CB C 89 38.051 37.959 0.092 1 1 1149 . 14 1 1 A 89 89 TYR N N 89 119.418 121.945 -2.527 1 1 1150 . 14 1 1 A 90 90 ASN H H 90 8.244 7.948 0.296 1 1 1151 . 14 1 1 A 90 90 ASN HA H 90 4.573 4.710 -0.137 1 1 1156 . 14 1 1 A 90 90 ASN C C 90 175.907 175.385 0.522 1 1 1157 . 14 1 1 A 90 90 ASN CA C 90 53.867 54.083 -0.216 1 1 1158 . 14 1 1 A 90 90 ASN CB C 90 38.479 41.474 -2.995 1 1 1159 . 14 1 1 A 90 90 ASN N N 90 118.918 124.151 -5.233 1 1 1161 . 14 1 1 A 91 91 GLN H H 91 8.176 8.007 0.169 1 1 1162 . 14 1 1 A 91 91 GLN HA H 91 4.216 3.996 0.220 1 1 1169 . 14 1 1 A 91 91 GLN C C 91 176.568 178.209 -1.641 1 1 1170 . 14 1 1 A 91 91 GLN CA C 91 56.600 58.596 -1.996 1 1 1171 . 14 1 1 A 91 91 GLN CB C 91 28.859 28.184 0.675 1 1 1173 . 14 1 1 A 91 91 GLN N N 91 119.648 120.001 -0.353 1 1 1175 . 14 1 1 A 92 92 LEU H H 92 8.015 8.017 -0.002 1 1 1176 . 14 1 1 A 92 92 LEU HA H 92 4.214 4.130 0.084 1 1 1186 . 14 1 1 A 92 92 LEU C C 92 177.661 178.343 -0.682 1 1 1187 . 14 1 1 A 92 92 LEU CA C 92 55.550 57.100 -1.550 1 1 1188 . 14 1 1 A 92 92 LEU CB C 92 41.994 41.386 0.608 1 1 1192 . 14 1 1 A 92 92 LEU N N 92 121.059 118.903 2.156 1 1 1193 . 14 1 1 A 93 93 GLU H H 93 8.132 7.319 0.813 1 1 1194 . 14 1 1 A 93 93 GLU HA H 93 4.099 4.375 -0.276 1 1 1199 . 14 1 1 A 93 93 GLU C C 93 176.461 176.931 -0.470 1 1 1200 . 14 1 1 A 93 93 GLU CA C 93 56.838 57.083 -0.245 1 1 1201 . 14 1 1 A 93 93 GLU CB C 93 29.803 30.636 -0.833 1 1 1203 . 14 1 1 A 93 93 GLU N N 93 119.896 116.974 2.922 1 1 1204 . 14 1 1 A 94 94 HIS H H 94 8.134 7.448 0.686 1 1 1205 . 14 1 1 A 94 94 HIS C C 94 174.994 173.581 1.413 1 1 1206 . 14 1 1 A 94 94 HIS CA C 94 56.075 54.783 1.292 1 1 1207 . 14 1 1 A 94 94 HIS CB C 94 29.997 29.067 0.930 1 1 1 . 15 1 1 A 2 2 ASP HA H 2 4.708 4.943 -0.235 1 1 4 . 15 1 1 A 2 2 ASP C C 2 176.847 175.835 1.012 1 1 5 . 15 1 1 A 2 2 ASP CA C 2 53.800 54.087 -0.287 1 1 6 . 15 1 1 A 2 2 ASP CB C 2 40.922 42.650 -1.728 1 1 7 . 15 1 1 A 3 3 GLN H H 3 9.117 8.786 0.331 1 1 8 . 15 1 1 A 3 3 GLN HA H 3 4.139 3.996 0.143 1 1 15 . 15 1 1 A 3 3 GLN C C 3 177.725 177.779 -0.054 1 1 16 . 15 1 1 A 3 3 GLN CA C 3 58.612 58.875 -0.263 1 1 17 . 15 1 1 A 3 3 GLN CB C 3 28.880 28.261 0.619 1 1 19 . 15 1 1 A 3 3 GLN N N 3 124.129 124.356 -0.227 1 1 21 . 15 1 1 A 4 4 LEU H H 4 8.285 8.092 0.193 1 1 22 . 15 1 1 A 4 4 LEU HA H 4 3.947 3.722 0.225 1 1 32 . 15 1 1 A 4 4 LEU C C 4 178.111 179.258 -1.147 1 1 33 . 15 1 1 A 4 4 LEU CA C 4 56.421 57.832 -1.411 1 1 34 . 15 1 1 A 4 4 LEU CB C 4 40.690 41.480 -0.790 1 1 38 . 15 1 1 A 4 4 LEU N N 4 117.977 120.415 -2.438 1 1 39 . 15 1 1 A 5 5 LYS H H 5 7.624 8.211 -0.587 1 1 40 . 15 1 1 A 5 5 LYS HA H 5 3.837 4.004 -0.167 1 1 49 . 15 1 1 A 5 5 LYS C C 5 178.775 179.207 -0.432 1 1 50 . 15 1 1 A 5 5 LYS CA C 5 59.939 59.111 0.828 1 1 51 . 15 1 1 A 5 5 LYS CB C 5 32.344 32.017 0.327 1 1 55 . 15 1 1 A 5 5 LYS N N 5 121.000 120.340 0.660 1 1 56 . 15 1 1 A 6 6 THR H H 6 7.852 7.793 0.059 1 1 57 . 15 1 1 A 6 6 THR HA H 6 3.908 3.854 0.054 1 1 62 . 15 1 1 A 6 6 THR C C 6 176.483 176.685 -0.202 1 1 63 . 15 1 1 A 6 6 THR CA C 6 66.062 66.946 -0.884 1 1 64 . 15 1 1 A 6 6 THR CB C 6 68.255 68.285 -0.030 1 1 66 . 15 1 1 A 6 6 THR N N 6 115.606 117.680 -2.074 1 1 67 . 15 1 1 A 7 7 ILE H H 7 7.791 7.968 -0.177 1 1 68 . 15 1 1 A 7 7 ILE HA H 7 3.422 3.516 -0.094 1 1 78 . 15 1 1 A 7 7 ILE C C 7 177.219 177.752 -0.533 1 1 79 . 15 1 1 A 7 7 ILE CA C 7 65.799 65.485 0.314 1 1 80 . 15 1 1 A 7 7 ILE CB C 7 37.619 37.567 0.052 1 1 84 . 15 1 1 A 7 7 ILE N N 7 122.292 121.435 0.857 1 1 85 . 15 1 1 A 8 8 LYS H H 8 8.233 7.970 0.263 1 1 86 . 15 1 1 A 8 8 LYS HA H 8 3.721 3.714 0.007 1 1 95 . 15 1 1 A 8 8 LYS C C 8 179.054 179.736 -0.682 1 1 96 . 15 1 1 A 8 8 LYS CA C 8 60.378 60.505 -0.127 1 1 97 . 15 1 1 A 8 8 LYS CB C 8 31.990 31.858 0.132 1 1 101 . 15 1 1 A 8 8 LYS N N 8 119.853 119.314 0.539 1 1 102 . 15 1 1 A 9 9 GLU H H 9 7.677 8.036 -0.359 1 1 103 . 15 1 1 A 9 9 GLU HA H 9 4.138 4.001 0.137 1 1 108 . 15 1 1 A 9 9 GLU C C 9 178.839 179.386 -0.547 1 1 109 . 15 1 1 A 9 9 GLU CA C 9 59.045 59.099 -0.054 1 1 110 . 15 1 1 A 9 9 GLU CB C 9 28.877 29.298 -0.421 1 1 112 . 15 1 1 A 9 9 GLU N N 9 118.933 120.598 -1.665 1 1 113 . 15 1 1 A 10 10 LEU H H 10 7.996 7.921 0.075 1 1 114 . 15 1 1 A 10 10 LEU HA H 10 4.027 4.011 0.016 1 1 124 . 15 1 1 A 10 10 LEU C C 10 179.717 179.251 0.466 1 1 125 . 15 1 1 A 10 10 LEU CA C 10 58.212 57.989 0.223 1 1 126 . 15 1 1 A 10 10 LEU CB C 10 41.994 41.780 0.214 1 1 130 . 15 1 1 A 10 10 LEU N N 10 120.361 120.490 -0.129 1 1 131 . 15 1 1 A 11 11 ILE H H 11 8.059 8.089 -0.030 1 1 132 . 15 1 1 A 11 11 ILE HA H 11 3.233 3.497 -0.264 1 1 142 . 15 1 1 A 11 11 ILE C C 11 179.525 178.621 0.904 1 1 143 . 15 1 1 A 11 11 ILE CA C 11 65.782 64.722 1.060 1 1 144 . 15 1 1 A 11 11 ILE CB C 11 37.620 37.177 0.443 1 1 148 . 15 1 1 A 11 11 ILE N N 11 118.455 119.687 -1.232 1 1 149 . 15 1 1 A 12 12 ASN H H 12 8.219 8.238 -0.019 1 1 150 . 15 1 1 A 12 12 ASN HA H 12 4.355 4.493 -0.138 1 1 155 . 15 1 1 A 12 12 ASN C C 12 177.168 177.539 -0.371 1 1 156 . 15 1 1 A 12 12 ASN CA C 12 55.945 56.530 -0.585 1 1 157 . 15 1 1 A 12 12 ASN CB C 12 38.012 37.876 0.136 1 1 158 . 15 1 1 A 12 12 ASN N N 12 120.732 119.724 1.008 1 1 160 . 15 1 1 A 13 13 GLN H H 13 8.028 7.760 0.268 1 1 161 . 15 1 1 A 13 13 GLN HA H 13 4.295 4.188 0.107 1 1 168 . 15 1 1 A 13 13 GLN C C 13 176.418 176.201 0.217 1 1 169 . 15 1 1 A 13 13 GLN CA C 13 55.821 55.298 0.523 1 1 170 . 15 1 1 A 13 13 GLN CB C 13 28.852 28.116 0.736 1 1 172 . 15 1 1 A 13 13 GLN N N 13 116.080 114.012 2.068 1 1 174 . 15 1 1 A 14 14 GLY H H 14 7.853 7.737 0.116 1 1 175 . 15 1 1 A 14 14 GLY HA2 H 14 4.337 3.930 0.407 1 1 176 . 15 1 1 A 14 14 GLY HA3 H 14 3.511 3.939 -0.428 1 1 177 . 15 1 1 A 14 14 GLY C C 14 174.233 174.367 -0.134 1 1 178 . 15 1 1 A 14 14 GLY CA C 14 45.063 45.002 0.061 1 1 179 . 15 1 1 A 14 14 GLY N N 14 107.118 109.667 -2.549 1 1 180 . 15 1 1 A 15 15 ASP H H 15 8.325 7.964 0.361 1 1 181 . 15 1 1 A 15 15 ASP HA H 15 4.973 4.823 0.150 1 1 184 . 15 1 1 A 15 15 ASP C C 15 176.427 176.021 0.406 1 1 185 . 15 1 1 A 15 15 ASP CA C 15 51.828 52.545 -0.717 1 1 186 . 15 1 1 A 15 15 ASP CB C 15 38.583 38.864 -0.281 1 1 187 . 15 1 1 A 15 15 ASP N N 15 125.524 120.679 4.845 1 1 188 . 15 1 1 A 16 16 ILE H H 16 7.615 7.819 -0.204 1 1 189 . 15 1 1 A 16 16 ILE HA H 16 3.353 3.706 -0.353 1 1 199 . 15 1 1 A 16 16 ILE C C 16 177.618 177.611 0.007 1 1 200 . 15 1 1 A 16 16 ILE CA C 16 62.996 64.851 -1.855 1 1 201 . 15 1 1 A 16 16 ILE CB C 16 35.856 37.853 -1.997 1 1 205 . 15 1 1 A 16 16 ILE N N 16 119.875 123.928 -4.053 1 1 206 . 15 1 1 A 17 17 GLU H H 17 8.844 8.115 0.729 1 1 207 . 15 1 1 A 17 17 GLU HA H 17 3.887 3.873 0.014 1 1 212 . 15 1 1 A 17 17 GLU C C 17 179.739 179.330 0.409 1 1 213 . 15 1 1 A 17 17 GLU CA C 17 60.364 59.622 0.742 1 1 214 . 15 1 1 A 17 17 GLU CB C 17 28.670 29.253 -0.583 1 1 216 . 15 1 1 A 17 17 GLU N N 17 120.080 119.590 0.490 1 1 217 . 15 1 1 A 18 18 ASN H H 18 7.768 8.202 -0.434 1 1 218 . 15 1 1 A 18 18 ASN HA H 18 4.535 4.460 0.075 1 1 223 . 15 1 1 A 18 18 ASN C C 18 178.197 177.952 0.245 1 1 224 . 15 1 1 A 18 18 ASN CA C 18 55.682 56.111 -0.429 1 1 225 . 15 1 1 A 18 18 ASN CB C 18 37.615 38.065 -0.450 1 1 226 . 15 1 1 A 18 18 ASN N N 18 116.056 118.474 -2.418 1 1 228 . 15 1 1 A 19 19 ALA H H 19 7.989 7.356 0.633 1 1 229 . 15 1 1 A 19 19 ALA HA H 19 3.870 4.055 -0.185 1 1 233 . 15 1 1 A 19 19 ALA C C 19 178.732 179.739 -1.007 1 1 234 . 15 1 1 A 19 19 ALA CA C 19 55.543 55.084 0.459 1 1 235 . 15 1 1 A 19 19 ALA CB C 19 18.362 18.273 0.089 1 1 236 . 15 1 1 A 19 19 ALA N N 19 123.900 122.398 1.502 1 1 237 . 15 1 1 A 20 20 LEU H H 20 8.589 8.673 -0.084 1 1 238 . 15 1 1 A 20 20 LEU HA H 20 3.856 3.818 0.038 1 1 248 . 15 1 1 A 20 20 LEU C C 20 179.139 179.025 0.114 1 1 249 . 15 1 1 A 20 20 LEU CA C 20 58.169 58.160 0.009 1 1 250 . 15 1 1 A 20 20 LEU CB C 20 41.569 41.801 -0.232 1 1 254 . 15 1 1 A 20 20 LEU N N 20 117.052 118.110 -1.058 1 1 255 . 15 1 1 A 21 21 GLN H H 21 7.439 8.569 -1.130 1 1 256 . 15 1 1 A 21 21 GLN HA H 21 4.029 4.027 0.002 1 1 263 . 15 1 1 A 21 21 GLN C C 21 178.411 177.779 0.632 1 1 264 . 15 1 1 A 21 21 GLN CA C 21 58.730 58.489 0.241 1 1 265 . 15 1 1 A 21 21 GLN CB C 21 28.002 28.152 -0.150 1 1 267 . 15 1 1 A 21 21 GLN N N 21 118.218 117.093 1.125 1 1 269 . 15 1 1 A 22 22 ALA H H 22 7.848 7.614 0.234 1 1 270 . 15 1 1 A 22 22 ALA HA H 22 4.191 4.079 0.112 1 1 274 . 15 1 1 A 22 22 ALA C C 22 181.475 180.258 1.217 1 1 275 . 15 1 1 A 22 22 ALA CA C 22 54.631 54.879 -0.248 1 1 276 . 15 1 1 A 22 22 ALA CB C 22 17.907 18.574 -0.667 1 1 277 . 15 1 1 A 22 22 ALA N N 22 121.474 121.830 -0.356 1 1 278 . 15 1 1 A 23 23 LEU H H 23 8.751 8.454 0.297 1 1 279 . 15 1 1 A 23 23 LEU HA H 23 3.906 3.990 -0.084 1 1 289 . 15 1 1 A 23 23 LEU C C 23 177.996 179.067 -1.071 1 1 290 . 15 1 1 A 23 23 LEU CA C 23 58.155 58.080 0.075 1 1 291 . 15 1 1 A 23 23 LEU CB C 23 42.020 41.546 0.474 1 1 295 . 15 1 1 A 23 23 LEU N N 23 122.246 120.343 1.903 1 1 296 . 15 1 1 A 24 24 GLU H H 24 8.247 8.716 -0.469 1 1 297 . 15 1 1 A 24 24 GLU HA H 24 3.971 3.878 0.093 1 1 302 . 15 1 1 A 24 24 GLU C C 24 179.751 179.171 0.580 1 1 303 . 15 1 1 A 24 24 GLU CA C 24 59.506 59.834 -0.328 1 1 304 . 15 1 1 A 24 24 GLU CB C 24 28.849 29.153 -0.304 1 1 306 . 15 1 1 A 24 24 GLU N N 24 119.875 117.712 2.163 1 1 307 . 15 1 1 A 25 25 GLU H H 25 7.736 7.926 -0.190 1 1 308 . 15 1 1 A 25 25 GLU HA H 25 4.013 4.058 -0.045 1 1 313 . 15 1 1 A 25 25 GLU C C 25 179.204 179.082 0.122 1 1 314 . 15 1 1 A 25 25 GLU CA C 25 59.058 59.422 -0.364 1 1 315 . 15 1 1 A 25 25 GLU CB C 25 29.238 29.538 -0.300 1 1 317 . 15 1 1 A 25 25 GLU N N 25 118.451 119.655 -1.204 1 1 318 . 15 1 1 A 26 26 PHE H H 26 8.389 8.221 0.168 1 1 319 . 15 1 1 A 26 26 PHE HA H 26 4.218 4.080 0.138 1 1 327 . 15 1 1 A 26 26 PHE C C 26 178.732 177.259 1.473 1 1 328 . 15 1 1 A 26 26 PHE CA C 26 61.020 61.255 -0.235 1 1 329 . 15 1 1 A 26 26 PHE CB C 26 39.383 39.441 -0.058 1 1 333 . 15 1 1 A 26 26 PHE N N 26 122.243 120.475 1.768 1 1 334 . 15 1 1 A 27 27 LEU H H 27 8.643 8.493 0.150 1 1 335 . 15 1 1 A 27 27 LEU HA H 27 3.666 3.835 -0.169 1 1 345 . 15 1 1 A 27 27 LEU C C 27 179.172 179.432 -0.260 1 1 346 . 15 1 1 A 27 27 LEU CA C 27 57.728 57.780 -0.052 1 1 347 . 15 1 1 A 27 27 LEU CB C 27 42.008 41.261 0.747 1 1 351 . 15 1 1 A 27 27 LEU N N 27 119.374 118.962 0.412 1 1 352 . 15 1 1 A 28 28 GLN H H 28 7.536 7.640 -0.104 1 1 353 . 15 1 1 A 28 28 GLN HA H 28 4.215 4.160 0.055 1 1 360 . 15 1 1 A 28 28 GLN C C 28 177.261 178.048 -0.787 1 1 361 . 15 1 1 A 28 28 GLN CA C 28 57.287 58.194 -0.907 1 1 362 . 15 1 1 A 28 28 GLN CB C 28 28.832 28.328 0.504 1 1 364 . 15 1 1 A 28 28 GLN N N 28 116.095 116.841 -0.746 1 1 366 . 15 1 1 A 29 29 THR H H 29 7.480 7.682 -0.202 1 1 367 . 15 1 1 A 29 29 THR HA H 29 4.332 4.073 0.259 1 1 372 . 15 1 1 A 29 29 THR C C 29 174.092 174.370 -0.278 1 1 373 . 15 1 1 A 29 29 THR CA C 29 62.533 64.371 -1.838 1 1 374 . 15 1 1 A 29 29 THR CB C 29 70.435 69.397 1.038 1 1 376 . 15 1 1 A 29 29 THR N N 29 108.609 115.664 -7.055 1 1 377 . 15 1 1 A 30 30 GLU H H 30 7.935 7.883 0.052 1 1 378 . 15 1 1 A 30 30 GLU HA H 30 4.221 4.600 -0.379 1 1 383 . 15 1 1 A 30 30 GLU CA C 30 54.719 53.848 0.871 1 1 384 . 15 1 1 A 30 30 GLU CB C 30 28.002 29.529 -1.527 1 1 386 . 15 1 1 A 30 30 GLU N N 30 119.400 118.541 0.859 1 1 387 . 15 1 1 A 31 31 PRO HA H 31 4.430 4.378 0.052 1 1 394 . 15 1 1 A 31 31 PRO C C 31 177.447 177.715 -0.268 1 1 395 . 15 1 1 A 31 31 PRO CA C 31 62.992 64.390 -1.398 1 1 396 . 15 1 1 A 31 31 PRO CB C 31 32.354 31.939 0.415 1 1 399 . 15 1 1 A 32 32 VAL H H 32 7.989 7.664 0.325 1 1 400 . 15 1 1 A 32 32 VAL HA H 32 4.211 3.955 0.256 1 1 408 . 15 1 1 A 32 32 VAL C C 32 176.778 177.075 -0.297 1 1 409 . 15 1 1 A 32 32 VAL CA C 32 62.755 64.287 -1.532 1 1 410 . 15 1 1 A 32 32 VAL CB C 32 32.697 31.572 1.125 1 1 412 . 15 1 1 A 32 32 VAL N N 32 118.439 116.347 2.092 1 1 413 . 15 1 1 A 33 33 GLY H H 33 8.764 7.493 1.271 1 1 414 . 15 1 1 A 33 33 GLY HA2 H 33 4.195 4.156 0.039 1 1 415 . 15 1 1 A 33 33 GLY HA3 H 33 4.195 4.256 -0.061 1 1 416 . 15 1 1 A 33 33 GLY C C 33 176.287 175.333 0.954 1 1 417 . 15 1 1 A 33 33 GLY CA C 33 45.917 45.545 0.372 1 1 418 . 15 1 1 A 33 33 GLY N N 33 111.588 108.795 2.793 1 1 419 . 15 1 1 A 34 34 LYS H H 34 8.296 8.008 0.288 1 1 420 . 15 1 1 A 34 34 LYS HA H 34 3.839 4.283 -0.444 1 1 429 . 15 1 1 A 34 34 LYS C C 34 177.040 179.240 -2.200 1 1 430 . 15 1 1 A 34 34 LYS CA C 34 59.883 59.626 0.257 1 1 431 . 15 1 1 A 34 34 LYS CB C 34 32.883 32.535 0.348 1 1 435 . 15 1 1 A 34 34 LYS N N 34 119.887 120.211 -0.324 1 1 436 . 15 1 1 A 35 35 ASP H H 35 9.065 8.676 0.389 1 1 437 . 15 1 1 A 35 35 ASP HA H 35 4.362 4.531 -0.169 1 1 440 . 15 1 1 A 35 35 ASP C C 35 177.018 178.781 -1.763 1 1 441 . 15 1 1 A 35 35 ASP CA C 35 57.636 57.281 0.355 1 1 442 . 15 1 1 A 35 35 ASP CB C 35 41.086 40.165 0.921 1 1 443 . 15 1 1 A 35 35 ASP N N 35 115.065 118.385 -3.320 1 1 444 . 15 1 1 A 36 36 GLU H H 36 7.474 7.967 -0.493 1 1 445 . 15 1 1 A 36 36 GLU HA H 36 4.275 4.134 0.141 1 1 450 . 15 1 1 A 36 36 GLU C C 36 178.261 178.460 -0.199 1 1 451 . 15 1 1 A 36 36 GLU CA C 36 59.046 59.562 -0.516 1 1 452 . 15 1 1 A 36 36 GLU CB C 36 29.283 29.398 -0.115 1 1 454 . 15 1 1 A 36 36 GLU N N 36 121.291 120.196 1.095 1 1 455 . 15 1 1 A 37 37 ALA H H 37 7.674 7.633 0.041 1 1 456 . 15 1 1 A 37 37 ALA HA H 37 3.887 4.096 -0.209 1 1 460 . 15 1 1 A 37 37 ALA C C 37 179.161 179.787 -0.626 1 1 461 . 15 1 1 A 37 37 ALA CA C 37 55.091 55.174 -0.083 1 1 462 . 15 1 1 A 37 37 ALA CB C 37 17.925 18.393 -0.468 1 1 463 . 15 1 1 A 37 37 ALA N N 37 120.365 122.383 -2.018 1 1 464 . 15 1 1 A 38 38 TYR H H 38 8.175 8.820 -0.645 1 1 465 . 15 1 1 A 38 38 TYR HA H 38 4.422 4.381 0.041 1 1 472 . 15 1 1 A 38 38 TYR C C 38 178.497 178.468 0.029 1 1 473 . 15 1 1 A 38 38 TYR CA C 38 62.662 60.852 1.810 1 1 474 . 15 1 1 A 38 38 TYR CB C 38 37.996 37.837 0.159 1 1 477 . 15 1 1 A 38 38 TYR N N 38 117.027 116.274 0.753 1 1 478 . 15 1 1 A 39 39 TYR H H 39 8.321 8.079 0.242 1 1 479 . 15 1 1 A 39 39 TYR HA H 39 4.413 4.381 0.032 1 1 486 . 15 1 1 A 39 39 TYR C C 39 176.311 177.124 -0.813 1 1 487 . 15 1 1 A 39 39 TYR CA C 39 60.856 61.834 -0.978 1 1 488 . 15 1 1 A 39 39 TYR CB C 39 38.015 38.796 -0.781 1 1 491 . 15 1 1 A 39 39 TYR N N 39 120.527 120.986 -0.459 1 1 492 . 15 1 1 A 40 40 LEU H H 40 8.508 8.213 0.295 1 1 493 . 15 1 1 A 40 40 LEU HA H 40 3.585 3.770 -0.185 1 1 503 . 15 1 1 A 40 40 LEU C C 40 178.857 179.269 -0.412 1 1 504 . 15 1 1 A 40 40 LEU CA C 40 57.723 57.579 0.144 1 1 505 . 15 1 1 A 40 40 LEU CB C 40 41.543 41.113 0.430 1 1 509 . 15 1 1 A 40 40 LEU N N 40 118.925 120.576 -1.651 1 1 510 . 15 1 1 A 41 41 MET H H 41 8.661 8.673 -0.012 1 1 511 . 15 1 1 A 41 41 MET HA H 41 3.611 4.060 -0.449 1 1 519 . 15 1 1 A 41 41 MET C C 41 178.325 179.010 -0.685 1 1 520 . 15 1 1 A 41 41 MET CA C 41 59.498 59.260 0.238 1 1 521 . 15 1 1 A 41 41 MET CB C 41 32.806 32.816 -0.010 1 1 524 . 15 1 1 A 41 41 MET N N 41 119.892 117.239 2.653 1 1 525 . 15 1 1 A 42 42 GLY H H 42 8.531 8.607 -0.076 1 1 526 . 15 1 1 A 42 42 GLY HA2 H 42 3.564 3.153 0.411 1 1 527 . 15 1 1 A 42 42 GLY HA3 H 42 3.164 3.588 -0.424 1 1 528 . 15 1 1 A 42 42 GLY C C 42 174.726 175.799 -1.073 1 1 529 . 15 1 1 A 42 42 GLY CA C 42 48.104 47.093 1.011 1 1 530 . 15 1 1 A 42 42 GLY N N 42 107.064 108.946 -1.882 1 1 531 . 15 1 1 A 43 43 ASN H H 43 8.260 7.674 0.586 1 1 532 . 15 1 1 A 43 43 ASN HA H 43 4.334 4.564 -0.230 1 1 537 . 15 1 1 A 43 43 ASN C C 43 178.111 177.884 0.227 1 1 538 . 15 1 1 A 43 43 ASN CA C 43 54.966 56.349 -1.383 1 1 539 . 15 1 1 A 43 43 ASN CB C 43 36.326 38.572 -2.246 1 1 540 . 15 1 1 A 43 43 ASN N N 43 120.815 120.148 0.667 1 1 542 . 15 1 1 A 44 44 ALA H H 44 8.487 7.837 0.650 1 1 543 . 15 1 1 A 44 44 ALA HA H 44 3.788 3.976 -0.188 1 1 547 . 15 1 1 A 44 44 ALA C C 44 178.389 179.651 -1.262 1 1 548 . 15 1 1 A 44 44 ALA CA C 44 55.152 54.929 0.223 1 1 549 . 15 1 1 A 44 44 ALA CB C 44 16.897 18.120 -1.223 1 1 550 . 15 1 1 A 44 44 ALA N N 44 125.304 123.394 1.910 1 1 551 . 15 1 1 A 45 45 TYR H H 45 8.160 8.069 0.091 1 1 552 . 15 1 1 A 45 45 TYR HA H 45 4.168 4.244 -0.076 1 1 559 . 15 1 1 A 45 45 TYR C C 45 178.775 178.032 0.743 1 1 560 . 15 1 1 A 45 45 TYR CA C 45 62.995 61.521 1.474 1 1 561 . 15 1 1 A 45 45 TYR CB C 45 36.944 37.571 -0.627 1 1 564 . 15 1 1 A 45 45 TYR N N 45 115.156 116.343 -1.187 1 1 565 . 15 1 1 A 46 46 ARG H H 46 8.901 8.252 0.649 1 1 566 . 15 1 1 A 46 46 ARG HA H 46 3.677 3.722 -0.045 1 1 573 . 15 1 1 A 46 46 ARG C C 46 179.396 179.099 0.297 1 1 574 . 15 1 1 A 46 46 ARG CA C 46 59.924 59.484 0.440 1 1 575 . 15 1 1 A 46 46 ARG CB C 46 30.131 29.766 0.365 1 1 578 . 15 1 1 A 46 46 ARG N N 46 121.781 121.392 0.389 1 1 579 . 15 1 1 A 47 47 LYS H H 47 7.813 7.513 0.300 1 1 580 . 15 1 1 A 47 47 LYS HA H 47 4.058 4.052 0.006 1 1 589 . 15 1 1 A 47 47 LYS C C 47 178.111 179.355 -1.244 1 1 590 . 15 1 1 A 47 47 LYS CA C 47 58.950 58.523 0.427 1 1 591 . 15 1 1 A 47 47 LYS CB C 47 31.906 31.931 -0.025 1 1 595 . 15 1 1 A 47 47 LYS N N 47 120.818 118.834 1.984 1 1 596 . 15 1 1 A 48 48 LEU H H 48 7.312 7.219 0.093 1 1 597 . 15 1 1 A 48 48 LEU HA H 48 4.228 4.000 0.228 1 1 607 . 15 1 1 A 48 48 LEU C C 48 177.254 177.166 0.088 1 1 608 . 15 1 1 A 48 48 LEU CA C 48 54.908 56.077 -1.169 1 1 609 . 15 1 1 A 48 48 LEU CB C 48 42.475 43.181 -0.706 1 1 613 . 15 1 1 A 48 48 LEU N N 48 116.553 117.713 -1.160 1 1 614 . 15 1 1 A 49 49 GLY H H 49 7.564 7.850 -0.286 1 1 615 . 15 1 1 A 49 49 GLY HA2 H 49 3.607 3.497 0.110 1 1 616 . 15 1 1 A 49 49 GLY HA3 H 49 2.316 3.797 -1.481 1 1 617 . 15 1 1 A 49 49 GLY C C 49 172.900 173.453 -0.553 1 1 618 . 15 1 1 A 49 49 GLY CA C 49 44.184 44.529 -0.345 1 1 619 . 15 1 1 A 49 49 GLY N N 49 107.326 105.757 1.569 1 1 620 . 15 1 1 A 50 50 ASP H H 50 7.670 7.537 0.133 1 1 621 . 15 1 1 A 50 50 ASP HA H 50 4.564 4.599 -0.035 1 1 624 . 15 1 1 A 50 50 ASP C C 50 175.681 176.388 -0.707 1 1 625 . 15 1 1 A 50 50 ASP CA C 50 51.083 52.715 -1.632 1 1 626 . 15 1 1 A 50 50 ASP CB C 50 39.169 40.231 -1.062 1 1 627 . 15 1 1 A 50 50 ASP N N 50 120.356 120.501 -0.145 1 1 628 . 15 1 1 A 51 51 TRP H H 51 6.939 8.105 -1.166 1 1 629 . 15 1 1 A 51 51 TRP HA H 51 4.314 4.449 -0.135 1 1 638 . 15 1 1 A 51 51 TRP C C 51 178.047 178.781 -0.734 1 1 639 . 15 1 1 A 51 51 TRP CA C 51 58.473 60.002 -1.529 1 1 640 . 15 1 1 A 51 51 TRP CB C 51 30.099 28.823 1.276 1 1 646 . 15 1 1 A 51 51 TRP N N 51 121.784 125.218 -3.434 1 1 648 . 15 1 1 A 52 52 GLN H H 52 8.677 8.616 0.061 1 1 649 . 15 1 1 A 52 52 GLN HA H 52 3.960 4.017 -0.057 1 1 656 . 15 1 1 A 52 52 GLN C C 52 178.454 178.725 -0.271 1 1 657 . 15 1 1 A 52 52 GLN CA C 52 58.925 58.731 0.194 1 1 658 . 15 1 1 A 52 52 GLN CB C 52 28.183 28.296 -0.113 1 1 660 . 15 1 1 A 52 52 GLN N N 52 117.018 121.233 -4.215 1 1 662 . 15 1 1 A 53 53 LYS H H 53 7.392 8.632 -1.240 1 1 663 . 15 1 1 A 53 53 LYS HA H 53 3.774 3.833 -0.059 1 1 672 . 15 1 1 A 53 53 LYS C C 53 180.361 178.817 1.544 1 1 673 . 15 1 1 A 53 53 LYS CA C 53 59.764 58.993 0.771 1 1 674 . 15 1 1 A 53 53 LYS CB C 53 30.802 31.729 -0.927 1 1 678 . 15 1 1 A 53 53 LYS N N 53 117.913 118.509 -0.596 1 1 679 . 15 1 1 A 54 54 ALA H H 54 8.223 7.769 0.454 1 1 680 . 15 1 1 A 54 54 ALA HA H 54 4.012 3.839 0.173 1 1 684 . 15 1 1 A 54 54 ALA C C 54 177.635 179.995 -2.360 1 1 685 . 15 1 1 A 54 54 ALA CA C 54 55.792 55.068 0.724 1 1 686 . 15 1 1 A 54 54 ALA CB C 54 17.045 18.039 -0.994 1 1 687 . 15 1 1 A 54 54 ALA N N 54 123.665 122.128 1.537 1 1 688 . 15 1 1 A 55 55 LEU H H 55 8.425 8.401 0.024 1 1 689 . 15 1 1 A 55 55 LEU HA H 55 4.010 4.048 -0.038 1 1 699 . 15 1 1 A 55 55 LEU C C 55 179.568 179.111 0.457 1 1 700 . 15 1 1 A 55 55 LEU CA C 55 58.611 58.297 0.314 1 1 701 . 15 1 1 A 55 55 LEU CB C 55 41.500 41.951 -0.451 1 1 705 . 15 1 1 A 55 55 LEU N N 55 116.583 118.865 -2.282 1 1 706 . 15 1 1 A 56 56 ASN H H 56 8.284 8.528 -0.244 1 1 707 . 15 1 1 A 56 56 ASN HA H 56 4.360 4.383 -0.023 1 1 712 . 15 1 1 A 56 56 ASN C C 56 177.790 178.253 -0.463 1 1 713 . 15 1 1 A 56 56 ASN CA C 56 55.852 56.544 -0.692 1 1 714 . 15 1 1 A 56 56 ASN CB C 56 37.882 37.765 0.117 1 1 715 . 15 1 1 A 56 56 ASN N N 56 117.763 117.353 0.410 1 1 717 . 15 1 1 A 57 57 ASN H H 57 7.600 8.491 -0.891 1 1 718 . 15 1 1 A 57 57 ASN HA H 57 4.425 4.445 -0.020 1 1 723 . 15 1 1 A 57 57 ASN C C 57 177.404 177.943 -0.539 1 1 724 . 15 1 1 A 57 57 ASN CA C 57 58.105 56.425 1.680 1 1 725 . 15 1 1 A 57 57 ASN CB C 57 38.931 38.406 0.525 1 1 726 . 15 1 1 A 57 57 ASN N N 57 118.927 117.336 1.591 1 1 728 . 15 1 1 A 58 58 TYR H H 58 8.838 8.114 0.724 1 1 729 . 15 1 1 A 58 58 TYR HA H 58 4.667 4.402 0.265 1 1 736 . 15 1 1 A 58 58 TYR C C 58 178.047 178.486 -0.439 1 1 737 . 15 1 1 A 58 58 TYR CA C 58 58.430 61.939 -3.509 1 1 738 . 15 1 1 A 58 58 TYR CB C 58 36.743 38.090 -1.347 1 1 741 . 15 1 1 A 58 58 TYR N N 58 118.473 118.896 -0.423 1 1 742 . 15 1 1 A 59 59 GLN H H 59 8.572 8.598 -0.026 1 1 743 . 15 1 1 A 59 59 GLN HA H 59 4.022 3.938 0.084 1 1 750 . 15 1 1 A 59 59 GLN C C 59 178.040 178.441 -0.401 1 1 751 . 15 1 1 A 59 59 GLN CA C 59 59.054 58.946 0.108 1 1 752 . 15 1 1 A 59 59 GLN CB C 59 27.126 28.661 -1.535 1 1 754 . 15 1 1 A 59 59 GLN N N 59 118.483 118.893 -0.410 1 1 756 . 15 1 1 A 60 60 SER H H 60 7.696 8.407 -0.711 1 1 757 . 15 1 1 A 60 60 SER HA H 60 3.931 3.972 -0.041 1 1 760 . 15 1 1 A 60 60 SER C C 60 175.926 176.136 -0.210 1 1 761 . 15 1 1 A 60 60 SER CA C 60 62.121 61.507 0.614 1 1 762 . 15 1 1 A 60 60 SER CB C 60 61.244 62.127 -0.883 1 1 763 . 15 1 1 A 60 60 SER N N 60 116.103 115.648 0.455 1 1 764 . 15 1 1 A 61 61 ALA H H 61 7.739 7.706 0.033 1 1 765 . 15 1 1 A 61 61 ALA HA H 61 4.075 4.233 -0.158 1 1 769 . 15 1 1 A 61 61 ALA C C 61 178.686 180.022 -1.336 1 1 770 . 15 1 1 A 61 61 ALA CA C 61 56.019 55.102 0.917 1 1 771 . 15 1 1 A 61 61 ALA CB C 61 18.790 18.498 0.292 1 1 772 . 15 1 1 A 61 61 ALA N N 61 122.319 122.765 -0.446 1 1 773 . 15 1 1 A 62 62 ILE H H 62 7.991 7.858 0.133 1 1 774 . 15 1 1 A 62 62 ILE HA H 62 3.857 3.783 0.074 1 1 784 . 15 1 1 A 62 62 ILE C C 62 178.131 177.730 0.401 1 1 785 . 15 1 1 A 62 62 ILE CA C 62 63.418 65.332 -1.914 1 1 786 . 15 1 1 A 62 62 ILE CB C 62 39.119 37.638 1.481 1 1 790 . 15 1 1 A 62 62 ILE N N 62 117.981 118.761 -0.780 1 1 791 . 15 1 1 A 63 63 GLU H H 63 7.988 8.459 -0.471 1 1 792 . 15 1 1 A 63 63 GLU HA H 63 3.902 4.012 -0.110 1 1 797 . 15 1 1 A 63 63 GLU C C 63 178.564 178.359 0.205 1 1 798 . 15 1 1 A 63 63 GLU CA C 63 58.594 59.221 -0.627 1 1 799 . 15 1 1 A 63 63 GLU CB C 63 29.278 29.185 0.093 1 1 801 . 15 1 1 A 63 63 GLU N N 63 118.190 119.565 -1.375 1 1 802 . 15 1 1 A 64 64 LEU H H 64 7.024 7.579 -0.555 1 1 803 . 15 1 1 A 64 64 LEU HA H 64 4.347 4.264 0.083 1 1 813 . 15 1 1 A 64 64 LEU C C 64 177.496 176.560 0.936 1 1 814 . 15 1 1 A 64 64 LEU CA C 64 55.810 56.919 -1.109 1 1 815 . 15 1 1 A 64 64 LEU CB C 64 43.746 43.252 0.494 1 1 819 . 15 1 1 A 64 64 LEU N N 64 116.109 119.143 -3.034 1 1 820 . 15 1 1 A 65 65 ASN H H 65 8.270 8.633 -0.363 1 1 821 . 15 1 1 A 65 65 ASN HA H 65 5.068 5.118 -0.050 1 1 826 . 15 1 1 A 65 65 ASN C C 65 172.512 174.253 -1.741 1 1 827 . 15 1 1 A 65 65 ASN CA C 65 49.457 49.192 0.265 1 1 828 . 15 1 1 A 65 65 ASN CB C 65 38.936 40.059 -1.123 1 1 829 . 15 1 1 A 65 65 ASN N N 65 116.544 117.643 -1.099 1 1 831 . 15 1 1 A 66 66 PRO HA H 66 4.467 4.533 -0.066 1 1 838 . 15 1 1 A 66 66 PRO C C 66 176.054 176.977 -0.923 1 1 839 . 15 1 1 A 66 66 PRO CA C 66 63.894 64.212 -0.318 1 1 840 . 15 1 1 A 66 66 PRO CB C 66 31.935 31.775 0.160 1 1 843 . 15 1 1 A 67 67 ASP H H 67 7.326 8.387 -1.061 1 1 844 . 15 1 1 A 67 67 ASP HA H 67 4.863 4.605 0.258 1 1 847 . 15 1 1 A 67 67 ASP C C 67 175.647 176.158 -0.511 1 1 848 . 15 1 1 A 67 67 ASP CA C 67 53.273 53.837 -0.564 1 1 849 . 15 1 1 A 67 67 ASP CB C 67 41.453 40.204 1.249 1 1 850 . 15 1 1 A 67 67 ASP N N 67 114.579 116.622 -2.043 1 1 851 . 15 1 1 A 68 68 SER H H 68 7.670 7.292 0.378 1 1 852 . 15 1 1 A 68 68 SER HA H 68 4.315 4.496 -0.181 1 1 856 . 15 1 1 A 68 68 SER C C 68 175.108 174.743 0.365 1 1 857 . 15 1 1 A 68 68 SER CA C 68 56.422 56.190 0.232 1 1 858 . 15 1 1 A 68 68 SER CB C 68 63.880 64.198 -0.318 1 1 859 . 15 1 1 A 68 68 SER N N 68 115.624 117.241 -1.617 1 1 860 . 15 1 1 A 69 69 PRO HA H 69 4.588 4.258 0.330 1 1 867 . 15 1 1 A 69 69 PRO C C 69 177.083 177.219 -0.136 1 1 868 . 15 1 1 A 69 69 PRO CA C 69 63.870 64.421 -0.551 1 1 869 . 15 1 1 A 69 69 PRO CB C 69 30.612 31.311 -0.699 1 1 872 . 15 1 1 A 70 70 ALA H H 70 8.442 7.766 0.676 1 1 873 . 15 1 1 A 70 70 ALA HA H 70 3.679 4.145 -0.466 1 1 877 . 15 1 1 A 70 70 ALA C C 70 177.667 179.651 -1.984 1 1 878 . 15 1 1 A 70 70 ALA CA C 70 54.025 54.183 -0.158 1 1 879 . 15 1 1 A 70 70 ALA CB C 70 20.741 18.885 1.856 1 1 880 . 15 1 1 A 70 70 ALA N N 70 121.749 119.832 1.917 1 1 881 . 15 1 1 A 71 71 LEU H H 71 7.956 8.160 -0.204 1 1 882 . 15 1 1 A 71 71 LEU HA H 71 3.883 4.050 -0.167 1 1 892 . 15 1 1 A 71 71 LEU C C 71 179.241 178.521 0.720 1 1 893 . 15 1 1 A 71 71 LEU CA C 71 58.602 58.086 0.516 1 1 894 . 15 1 1 A 71 71 LEU CB C 71 41.987 41.463 0.524 1 1 898 . 15 1 1 A 71 71 LEU N N 71 119.448 121.177 -1.729 1 1 899 . 15 1 1 A 72 72 GLN H H 72 7.464 7.855 -0.391 1 1 900 . 15 1 1 A 72 72 GLN HA H 72 4.049 4.074 -0.025 1 1 907 . 15 1 1 A 72 72 GLN C C 72 178.432 178.433 -0.001 1 1 908 . 15 1 1 A 72 72 GLN CA C 72 58.626 58.816 -0.190 1 1 909 . 15 1 1 A 72 72 GLN CB C 72 27.557 27.826 -0.269 1 1 911 . 15 1 1 A 72 72 GLN N N 72 117.976 117.642 0.334 1 1 913 . 15 1 1 A 73 73 ALA H H 73 7.296 7.698 -0.402 1 1 914 . 15 1 1 A 73 73 ALA HA H 73 4.017 3.919 0.098 1 1 918 . 15 1 1 A 73 73 ALA C C 73 178.775 179.313 -0.538 1 1 919 . 15 1 1 A 73 73 ALA CA C 73 54.688 54.913 -0.225 1 1 920 . 15 1 1 A 73 73 ALA CB C 73 17.473 17.601 -0.128 1 1 921 . 15 1 1 A 73 73 ALA N N 73 123.083 122.601 0.482 1 1 922 . 15 1 1 A 74 74 ARG H H 74 8.328 7.763 0.565 1 1 923 . 15 1 1 A 74 74 ARG HA H 74 3.820 4.249 -0.429 1 1 931 . 15 1 1 A 74 74 ARG C C 74 177.297 178.310 -1.013 1 1 932 . 15 1 1 A 74 74 ARG CA C 74 59.805 58.889 0.916 1 1 933 . 15 1 1 A 74 74 ARG CB C 74 29.773 29.788 -0.015 1 1 936 . 15 1 1 A 74 74 ARG N N 74 117.535 118.366 -0.831 1 1 938 . 15 1 1 A 75 75 LYS H H 75 7.123 7.596 -0.473 1 1 939 . 15 1 1 A 75 75 LYS HA H 75 3.960 4.101 -0.141 1 1 948 . 15 1 1 A 75 75 LYS C C 75 178.071 178.450 -0.379 1 1 949 . 15 1 1 A 75 75 LYS CA C 75 59.488 59.390 0.098 1 1 950 . 15 1 1 A 75 75 LYS CB C 75 31.928 31.973 -0.045 1 1 954 . 15 1 1 A 75 75 LYS N N 75 119.136 119.279 -0.143 1 1 955 . 15 1 1 A 76 76 MET H H 76 7.673 8.266 -0.593 1 1 956 . 15 1 1 A 76 76 MET HA H 76 4.205 4.063 0.142 1 1 964 . 15 1 1 A 76 76 MET C C 76 178.925 178.074 0.851 1 1 965 . 15 1 1 A 76 76 MET CA C 76 58.637 58.741 -0.104 1 1 966 . 15 1 1 A 76 76 MET CB C 76 32.344 32.348 -0.004 1 1 969 . 15 1 1 A 76 76 MET N N 76 116.794 119.164 -2.370 1 1 970 . 15 1 1 A 77 77 VAL H H 77 7.928 8.147 -0.219 1 1 971 . 15 1 1 A 77 77 VAL HA H 77 3.601 3.402 0.199 1 1 979 . 15 1 1 A 77 77 VAL C C 77 177.318 177.677 -0.359 1 1 980 . 15 1 1 A 77 77 VAL CA C 77 66.468 66.537 -0.069 1 1 981 . 15 1 1 A 77 77 VAL CB C 77 31.477 31.890 -0.413 1 1 984 . 15 1 1 A 77 77 VAL N N 77 117.999 118.882 -0.883 1 1 985 . 15 1 1 A 78 78 MET H H 78 8.446 8.034 0.412 1 1 986 . 15 1 1 A 78 78 MET HA H 78 4.136 4.086 0.050 1 1 994 . 15 1 1 A 78 78 MET C C 78 178.542 178.024 0.518 1 1 995 . 15 1 1 A 78 78 MET CA C 78 58.514 58.741 -0.227 1 1 996 . 15 1 1 A 78 78 MET CB C 78 31.036 32.615 -1.579 1 1 999 . 15 1 1 A 78 78 MET N N 78 119.079 117.401 1.678 1 1 1000 . 15 1 1 A 79 79 ASP H H 79 8.202 7.970 0.232 1 1 1001 . 15 1 1 A 79 79 ASP HA H 79 4.419 4.222 0.197 1 1 1004 . 15 1 1 A 79 79 ASP C C 79 179.097 178.424 0.673 1 1 1005 . 15 1 1 A 79 79 ASP CA C 79 57.277 57.539 -0.262 1 1 1006 . 15 1 1 A 79 79 ASP CB C 79 39.813 41.583 -1.770 1 1 1007 . 15 1 1 A 79 79 ASP N N 79 119.422 120.117 -0.695 1 1 1008 . 15 1 1 A 80 80 ILE H H 80 7.625 7.592 0.033 1 1 1009 . 15 1 1 A 80 80 ILE HA H 80 3.643 3.237 0.406 1 1 1019 . 15 1 1 A 80 80 ILE C C 80 178.024 178.040 -0.016 1 1 1020 . 15 1 1 A 80 80 ILE CA C 80 64.717 65.288 -0.571 1 1 1021 . 15 1 1 A 80 80 ILE CB C 80 37.661 37.506 0.155 1 1 1025 . 15 1 1 A 80 80 ILE N N 80 121.750 119.213 2.537 1 1 1026 . 15 1 1 A 81 81 LEU H H 81 8.071 7.889 0.182 1 1 1027 . 15 1 1 A 81 81 LEU HA H 81 3.908 3.878 0.030 1 1 1037 . 15 1 1 A 81 81 LEU C C 81 178.852 179.031 -0.179 1 1 1038 . 15 1 1 A 81 81 LEU CA C 81 57.329 57.955 -0.626 1 1 1039 . 15 1 1 A 81 81 LEU CB C 81 41.544 40.456 1.088 1 1 1043 . 15 1 1 A 81 81 LEU N N 81 119.850 118.475 1.375 1 1 1044 . 15 1 1 A 82 82 ASN H H 82 8.188 8.325 -0.137 1 1 1045 . 15 1 1 A 82 82 ASN HA H 82 4.417 3.737 0.680 1 1 1050 . 15 1 1 A 82 82 ASN C C 82 176.440 177.833 -1.393 1 1 1051 . 15 1 1 A 82 82 ASN CA C 82 55.011 56.231 -1.220 1 1 1052 . 15 1 1 A 82 82 ASN CB C 82 38.461 37.786 0.675 1 1 1053 . 15 1 1 A 82 82 ASN N N 82 116.186 118.457 -2.271 1 1 1055 . 15 1 1 A 83 83 PHE H H 83 7.779 7.809 -0.030 1 1 1056 . 15 1 1 A 83 83 PHE HA H 83 4.352 4.161 0.191 1 1 1064 . 15 1 1 A 83 83 PHE C C 83 176.767 177.205 -0.438 1 1 1065 . 15 1 1 A 83 83 PHE CA C 83 59.557 61.321 -1.764 1 1 1066 . 15 1 1 A 83 83 PHE CB C 83 38.944 38.930 0.014 1 1 1070 . 15 1 1 A 83 83 PHE N N 83 118.925 122.287 -3.362 1 1 1071 . 15 1 1 A 84 84 TYR H H 84 8.057 8.198 -0.141 1 1 1072 . 15 1 1 A 84 84 TYR HA H 84 4.388 4.324 0.064 1 1 1079 . 15 1 1 A 84 84 TYR C C 84 176.233 175.999 0.234 1 1 1080 . 15 1 1 A 84 84 TYR CA C 84 59.261 59.952 -0.691 1 1 1081 . 15 1 1 A 84 84 TYR CB C 84 38.503 38.740 -0.237 1 1 1084 . 15 1 1 A 84 84 TYR N N 84 118.223 117.081 1.142 1 1 1085 . 15 1 1 A 85 85 ASN H H 85 8.192 8.163 0.029 1 1 1086 . 15 1 1 A 85 85 ASN HA H 85 4.679 5.137 -0.458 1 1 1091 . 15 1 1 A 85 85 ASN C C 85 175.367 175.402 -0.035 1 1 1092 . 15 1 1 A 85 85 ASN CA C 85 53.261 51.574 1.687 1 1 1093 . 15 1 1 A 85 85 ASN CB C 85 38.501 40.425 -1.924 1 1 1094 . 15 1 1 A 85 85 ASN N N 85 118.935 114.221 4.714 1 1 1096 . 15 1 1 A 86 86 LYS H H 86 8.151 9.056 -0.905 1 1 1097 . 15 1 1 A 86 86 LYS HA H 86 4.151 4.384 -0.233 1 1 1106 . 15 1 1 A 86 86 LYS C C 86 176.981 178.011 -1.030 1 1 1107 . 15 1 1 A 86 86 LYS CA C 86 57.714 58.167 -0.453 1 1 1108 . 15 1 1 A 86 86 LYS CB C 86 32.368 32.368 0.000 1 1 1112 . 15 1 1 A 86 86 LYS N N 86 121.533 122.492 -0.959 1 1 1113 . 15 1 1 A 87 87 ASP H H 87 8.269 8.307 -0.038 1 1 1114 . 15 1 1 A 87 87 ASP HA H 87 4.553 4.348 0.205 1 1 1117 . 15 1 1 A 87 87 ASP C C 87 177.209 178.508 -1.299 1 1 1118 . 15 1 1 A 87 87 ASP CA C 87 55.538 57.582 -2.044 1 1 1119 . 15 1 1 A 87 87 ASP CB C 87 40.677 40.163 0.514 1 1 1120 . 15 1 1 A 87 87 ASP N N 87 119.408 119.527 -0.119 1 1 1121 . 15 1 1 A 88 88 MET H H 88 7.941 8.056 -0.115 1 1 1122 . 15 1 1 A 88 88 MET HA H 88 4.257 4.296 -0.039 1 1 1130 . 15 1 1 A 88 88 MET C C 88 176.851 178.008 -1.157 1 1 1131 . 15 1 1 A 88 88 MET CA C 88 56.461 58.261 -1.800 1 1 1132 . 15 1 1 A 88 88 MET CB C 88 32.371 32.406 -0.035 1 1 1135 . 15 1 1 A 88 88 MET N N 88 119.377 119.580 -0.203 1 1 1136 . 15 1 1 A 89 89 TYR H H 89 8.094 8.037 0.057 1 1 1137 . 15 1 1 A 89 89 TYR HA H 89 4.350 4.156 0.194 1 1 1144 . 15 1 1 A 89 89 TYR C C 89 176.252 178.009 -1.757 1 1 1145 . 15 1 1 A 89 89 TYR CA C 89 59.097 61.325 -2.228 1 1 1146 . 15 1 1 A 89 89 TYR CB C 89 38.051 38.484 -0.433 1 1 1149 . 15 1 1 A 89 89 TYR N N 89 119.418 121.017 -1.599 1 1 1150 . 15 1 1 A 90 90 ASN H H 90 8.244 9.112 -0.868 1 1 1151 . 15 1 1 A 90 90 ASN HA H 90 4.573 4.264 0.309 1 1 1156 . 15 1 1 A 90 90 ASN C C 90 175.907 176.728 -0.821 1 1 1157 . 15 1 1 A 90 90 ASN CA C 90 53.867 55.805 -1.938 1 1 1158 . 15 1 1 A 90 90 ASN CB C 90 38.479 38.635 -0.156 1 1 1159 . 15 1 1 A 90 90 ASN N N 90 118.918 117.719 1.199 1 1 1161 . 15 1 1 A 91 91 GLN H H 91 8.176 8.463 -0.287 1 1 1162 . 15 1 1 A 91 91 GLN HA H 91 4.216 4.055 0.161 1 1 1169 . 15 1 1 A 91 91 GLN C C 91 176.568 176.444 0.124 1 1 1170 . 15 1 1 A 91 91 GLN CA C 91 56.600 58.053 -1.453 1 1 1171 . 15 1 1 A 91 91 GLN CB C 91 28.859 27.752 1.107 1 1 1173 . 15 1 1 A 91 91 GLN N N 91 119.648 116.175 3.473 1 1 1175 . 15 1 1 A 92 92 LEU H H 92 8.015 7.258 0.757 1 1 1176 . 15 1 1 A 92 92 LEU HA H 92 4.214 4.279 -0.065 1 1 1186 . 15 1 1 A 92 92 LEU C C 92 177.661 176.178 1.483 1 1 1187 . 15 1 1 A 92 92 LEU CA C 92 55.550 54.001 1.549 1 1 1188 . 15 1 1 A 92 92 LEU CB C 92 41.994 41.632 0.362 1 1 1192 . 15 1 1 A 92 92 LEU N N 92 121.059 117.214 3.845 1 1 1193 . 15 1 1 A 93 93 GLU H H 93 8.132 7.526 0.606 1 1 1194 . 15 1 1 A 93 93 GLU HA H 93 4.099 3.983 0.116 1 1 1199 . 15 1 1 A 93 93 GLU C C 93 176.461 175.990 0.471 1 1 1200 . 15 1 1 A 93 93 GLU CA C 93 56.838 56.193 0.645 1 1 1201 . 15 1 1 A 93 93 GLU CB C 93 29.803 29.899 -0.096 1 1 1203 . 15 1 1 A 93 93 GLU N N 93 119.896 121.720 -1.824 1 1 1204 . 15 1 1 A 94 94 HIS H H 94 8.134 8.910 -0.776 1 1 1205 . 15 1 1 A 94 94 HIS C C 94 174.994 175.525 -0.531 1 1 1206 . 15 1 1 A 94 94 HIS CA C 94 56.075 55.332 0.743 1 1 1207 . 15 1 1 A 94 94 HIS CB C 94 29.997 30.776 -0.779 1 1 1 . 16 1 1 A 2 2 ASP HA H 2 4.708 4.936 -0.228 1 1 4 . 16 1 1 A 2 2 ASP C C 2 176.847 176.060 0.787 1 1 5 . 16 1 1 A 2 2 ASP CA C 2 53.800 53.431 0.369 1 1 6 . 16 1 1 A 2 2 ASP CB C 2 40.922 38.922 2.000 1 1 7 . 16 1 1 A 3 3 GLN H H 3 9.117 8.304 0.813 1 1 8 . 16 1 1 A 3 3 GLN HA H 3 4.139 4.077 0.062 1 1 15 . 16 1 1 A 3 3 GLN C C 3 177.725 177.848 -0.123 1 1 16 . 16 1 1 A 3 3 GLN CA C 3 58.612 58.844 -0.232 1 1 17 . 16 1 1 A 3 3 GLN CB C 3 28.880 28.502 0.378 1 1 19 . 16 1 1 A 3 3 GLN N N 3 124.129 123.542 0.587 1 1 21 . 16 1 1 A 4 4 LEU H H 4 8.285 8.387 -0.102 1 1 22 . 16 1 1 A 4 4 LEU HA H 4 3.947 3.795 0.152 1 1 32 . 16 1 1 A 4 4 LEU C C 4 178.111 179.320 -1.209 1 1 33 . 16 1 1 A 4 4 LEU CA C 4 56.421 57.846 -1.425 1 1 34 . 16 1 1 A 4 4 LEU CB C 4 40.690 41.282 -0.592 1 1 38 . 16 1 1 A 4 4 LEU N N 4 117.977 120.396 -2.419 1 1 39 . 16 1 1 A 5 5 LYS H H 5 7.624 7.675 -0.051 1 1 40 . 16 1 1 A 5 5 LYS HA H 5 3.837 3.995 -0.158 1 1 49 . 16 1 1 A 5 5 LYS C C 5 178.775 178.947 -0.172 1 1 50 . 16 1 1 A 5 5 LYS CA C 5 59.939 59.511 0.428 1 1 51 . 16 1 1 A 5 5 LYS CB C 5 32.344 32.273 0.071 1 1 55 . 16 1 1 A 5 5 LYS N N 5 121.000 120.602 0.398 1 1 56 . 16 1 1 A 6 6 THR H H 6 7.852 8.012 -0.160 1 1 57 . 16 1 1 A 6 6 THR HA H 6 3.908 3.915 -0.007 1 1 62 . 16 1 1 A 6 6 THR C C 6 176.483 176.466 0.017 1 1 63 . 16 1 1 A 6 6 THR CA C 6 66.062 67.075 -1.013 1 1 64 . 16 1 1 A 6 6 THR CB C 6 68.255 68.540 -0.285 1 1 66 . 16 1 1 A 6 6 THR N N 6 115.606 116.045 -0.439 1 1 67 . 16 1 1 A 7 7 ILE H H 7 7.791 8.137 -0.346 1 1 68 . 16 1 1 A 7 7 ILE HA H 7 3.422 3.549 -0.127 1 1 78 . 16 1 1 A 7 7 ILE C C 7 177.219 177.769 -0.550 1 1 79 . 16 1 1 A 7 7 ILE CA C 7 65.799 65.144 0.655 1 1 80 . 16 1 1 A 7 7 ILE CB C 7 37.619 37.585 0.034 1 1 84 . 16 1 1 A 7 7 ILE N N 7 122.292 121.521 0.771 1 1 85 . 16 1 1 A 8 8 LYS H H 8 8.233 8.059 0.174 1 1 86 . 16 1 1 A 8 8 LYS HA H 8 3.721 3.800 -0.079 1 1 95 . 16 1 1 A 8 8 LYS C C 8 179.054 180.156 -1.102 1 1 96 . 16 1 1 A 8 8 LYS CA C 8 60.378 60.483 -0.105 1 1 97 . 16 1 1 A 8 8 LYS CB C 8 31.990 32.080 -0.090 1 1 101 . 16 1 1 A 8 8 LYS N N 8 119.853 118.309 1.544 1 1 102 . 16 1 1 A 9 9 GLU H H 9 7.677 8.477 -0.800 1 1 103 . 16 1 1 A 9 9 GLU HA H 9 4.138 4.037 0.101 1 1 108 . 16 1 1 A 9 9 GLU C C 9 178.839 179.302 -0.463 1 1 109 . 16 1 1 A 9 9 GLU CA C 9 59.045 59.040 0.005 1 1 110 . 16 1 1 A 9 9 GLU CB C 9 28.877 29.397 -0.520 1 1 112 . 16 1 1 A 9 9 GLU N N 9 118.933 120.672 -1.739 1 1 113 . 16 1 1 A 10 10 LEU H H 10 7.996 8.245 -0.249 1 1 114 . 16 1 1 A 10 10 LEU HA H 10 4.027 4.008 0.019 1 1 124 . 16 1 1 A 10 10 LEU C C 10 179.717 179.193 0.524 1 1 125 . 16 1 1 A 10 10 LEU CA C 10 58.212 58.081 0.131 1 1 126 . 16 1 1 A 10 10 LEU CB C 10 41.994 41.914 0.080 1 1 130 . 16 1 1 A 10 10 LEU N N 10 120.361 121.034 -0.673 1 1 131 . 16 1 1 A 11 11 ILE H H 11 8.059 8.440 -0.381 1 1 132 . 16 1 1 A 11 11 ILE HA H 11 3.233 3.451 -0.218 1 1 142 . 16 1 1 A 11 11 ILE C C 11 179.525 178.449 1.076 1 1 143 . 16 1 1 A 11 11 ILE CA C 11 65.782 64.772 1.010 1 1 144 . 16 1 1 A 11 11 ILE CB C 11 37.620 37.230 0.390 1 1 148 . 16 1 1 A 11 11 ILE N N 11 118.455 119.498 -1.043 1 1 149 . 16 1 1 A 12 12 ASN H H 12 8.219 8.551 -0.332 1 1 150 . 16 1 1 A 12 12 ASN HA H 12 4.355 4.509 -0.154 1 1 155 . 16 1 1 A 12 12 ASN C C 12 177.168 178.507 -1.339 1 1 156 . 16 1 1 A 12 12 ASN CA C 12 55.945 56.537 -0.592 1 1 157 . 16 1 1 A 12 12 ASN CB C 12 38.012 37.801 0.211 1 1 158 . 16 1 1 A 12 12 ASN N N 12 120.732 118.783 1.949 1 1 160 . 16 1 1 A 13 13 GLN H H 13 8.028 7.683 0.345 1 1 161 . 16 1 1 A 13 13 GLN HA H 13 4.295 4.293 0.002 1 1 168 . 16 1 1 A 13 13 GLN C C 13 176.418 176.212 0.206 1 1 169 . 16 1 1 A 13 13 GLN CA C 13 55.821 56.055 -0.234 1 1 170 . 16 1 1 A 13 13 GLN CB C 13 28.852 29.191 -0.339 1 1 172 . 16 1 1 A 13 13 GLN N N 13 116.080 115.995 0.085 1 1 174 . 16 1 1 A 14 14 GLY H H 14 7.853 8.034 -0.181 1 1 175 . 16 1 1 A 14 14 GLY HA2 H 14 4.337 3.973 0.364 1 1 176 . 16 1 1 A 14 14 GLY HA3 H 14 3.511 3.981 -0.470 1 1 177 . 16 1 1 A 14 14 GLY C C 14 174.233 173.812 0.421 1 1 178 . 16 1 1 A 14 14 GLY CA C 14 45.063 45.051 0.012 1 1 179 . 16 1 1 A 14 14 GLY N N 14 107.118 107.250 -0.132 1 1 180 . 16 1 1 A 15 15 ASP H H 15 8.325 8.187 0.138 1 1 181 . 16 1 1 A 15 15 ASP HA H 15 4.973 4.641 0.332 1 1 184 . 16 1 1 A 15 15 ASP C C 15 176.427 176.535 -0.108 1 1 185 . 16 1 1 A 15 15 ASP CA C 15 51.828 52.503 -0.675 1 1 186 . 16 1 1 A 15 15 ASP CB C 15 38.583 39.559 -0.976 1 1 187 . 16 1 1 A 15 15 ASP N N 15 125.524 120.346 5.178 1 1 188 . 16 1 1 A 16 16 ILE H H 16 7.615 7.804 -0.189 1 1 189 . 16 1 1 A 16 16 ILE HA H 16 3.353 3.719 -0.366 1 1 199 . 16 1 1 A 16 16 ILE C C 16 177.618 177.457 0.161 1 1 200 . 16 1 1 A 16 16 ILE CA C 16 62.996 64.660 -1.664 1 1 201 . 16 1 1 A 16 16 ILE CB C 16 35.856 37.433 -1.577 1 1 205 . 16 1 1 A 16 16 ILE N N 16 119.875 125.300 -5.425 1 1 206 . 16 1 1 A 17 17 GLU H H 17 8.844 8.163 0.681 1 1 207 . 16 1 1 A 17 17 GLU HA H 17 3.887 3.902 -0.015 1 1 212 . 16 1 1 A 17 17 GLU C C 17 179.739 179.466 0.273 1 1 213 . 16 1 1 A 17 17 GLU CA C 17 60.364 59.610 0.754 1 1 214 . 16 1 1 A 17 17 GLU CB C 17 28.670 29.155 -0.485 1 1 216 . 16 1 1 A 17 17 GLU N N 17 120.080 120.537 -0.457 1 1 217 . 16 1 1 A 18 18 ASN H H 18 7.768 8.056 -0.288 1 1 218 . 16 1 1 A 18 18 ASN HA H 18 4.535 4.402 0.133 1 1 223 . 16 1 1 A 18 18 ASN C C 18 178.197 177.966 0.231 1 1 224 . 16 1 1 A 18 18 ASN CA C 18 55.682 56.333 -0.651 1 1 225 . 16 1 1 A 18 18 ASN CB C 18 37.615 37.772 -0.157 1 1 226 . 16 1 1 A 18 18 ASN N N 18 116.056 119.660 -3.604 1 1 228 . 16 1 1 A 19 19 ALA H H 19 7.989 7.738 0.251 1 1 229 . 16 1 1 A 19 19 ALA HA H 19 3.870 4.069 -0.199 1 1 233 . 16 1 1 A 19 19 ALA C C 19 178.732 179.869 -1.137 1 1 234 . 16 1 1 A 19 19 ALA CA C 19 55.543 55.095 0.448 1 1 235 . 16 1 1 A 19 19 ALA CB C 19 18.362 18.400 -0.038 1 1 236 . 16 1 1 A 19 19 ALA N N 19 123.900 122.700 1.200 1 1 237 . 16 1 1 A 20 20 LEU H H 20 8.589 8.646 -0.057 1 1 238 . 16 1 1 A 20 20 LEU HA H 20 3.856 3.760 0.096 1 1 248 . 16 1 1 A 20 20 LEU C C 20 179.139 178.983 0.156 1 1 249 . 16 1 1 A 20 20 LEU CA C 20 58.169 58.119 0.050 1 1 250 . 16 1 1 A 20 20 LEU CB C 20 41.569 41.644 -0.075 1 1 254 . 16 1 1 A 20 20 LEU N N 20 117.052 117.947 -0.895 1 1 255 . 16 1 1 A 21 21 GLN H H 21 7.439 8.215 -0.776 1 1 256 . 16 1 1 A 21 21 GLN HA H 21 4.029 4.007 0.022 1 1 263 . 16 1 1 A 21 21 GLN C C 21 178.411 177.844 0.567 1 1 264 . 16 1 1 A 21 21 GLN CA C 21 58.730 58.427 0.303 1 1 265 . 16 1 1 A 21 21 GLN CB C 21 28.002 28.294 -0.292 1 1 267 . 16 1 1 A 21 21 GLN N N 21 118.218 117.097 1.121 1 1 269 . 16 1 1 A 22 22 ALA H H 22 7.848 7.613 0.235 1 1 270 . 16 1 1 A 22 22 ALA HA H 22 4.191 4.086 0.105 1 1 274 . 16 1 1 A 22 22 ALA C C 22 181.475 180.024 1.451 1 1 275 . 16 1 1 A 22 22 ALA CA C 22 54.631 54.828 -0.197 1 1 276 . 16 1 1 A 22 22 ALA CB C 22 17.907 18.575 -0.668 1 1 277 . 16 1 1 A 22 22 ALA N N 22 121.474 122.113 -0.639 1 1 278 . 16 1 1 A 23 23 LEU H H 23 8.751 8.117 0.634 1 1 279 . 16 1 1 A 23 23 LEU HA H 23 3.906 3.859 0.047 1 1 289 . 16 1 1 A 23 23 LEU C C 23 177.996 178.925 -0.929 1 1 290 . 16 1 1 A 23 23 LEU CA C 23 58.155 58.145 0.010 1 1 291 . 16 1 1 A 23 23 LEU CB C 23 42.020 41.628 0.392 1 1 295 . 16 1 1 A 23 23 LEU N N 23 122.246 120.170 2.076 1 1 296 . 16 1 1 A 24 24 GLU H H 24 8.247 8.392 -0.145 1 1 297 . 16 1 1 A 24 24 GLU HA H 24 3.971 3.993 -0.022 1 1 302 . 16 1 1 A 24 24 GLU C C 24 179.751 178.687 1.064 1 1 303 . 16 1 1 A 24 24 GLU CA C 24 59.506 59.039 0.467 1 1 304 . 16 1 1 A 24 24 GLU CB C 24 28.849 29.135 -0.286 1 1 306 . 16 1 1 A 24 24 GLU N N 24 119.875 117.941 1.934 1 1 307 . 16 1 1 A 25 25 GLU H H 25 7.736 7.666 0.070 1 1 308 . 16 1 1 A 25 25 GLU HA H 25 4.013 4.243 -0.230 1 1 313 . 16 1 1 A 25 25 GLU C C 25 179.204 179.220 -0.016 1 1 314 . 16 1 1 A 25 25 GLU CA C 25 59.058 59.198 -0.140 1 1 315 . 16 1 1 A 25 25 GLU CB C 25 29.238 29.442 -0.204 1 1 317 . 16 1 1 A 25 25 GLU N N 25 118.451 119.943 -1.492 1 1 318 . 16 1 1 A 26 26 PHE H H 26 8.389 8.233 0.156 1 1 319 . 16 1 1 A 26 26 PHE HA H 26 4.218 4.093 0.125 1 1 327 . 16 1 1 A 26 26 PHE C C 26 178.732 176.879 1.853 1 1 328 . 16 1 1 A 26 26 PHE CA C 26 61.020 61.475 -0.455 1 1 329 . 16 1 1 A 26 26 PHE CB C 26 39.383 39.116 0.267 1 1 333 . 16 1 1 A 26 26 PHE N N 26 122.243 122.057 0.186 1 1 334 . 16 1 1 A 27 27 LEU H H 27 8.643 8.276 0.367 1 1 335 . 16 1 1 A 27 27 LEU HA H 27 3.666 4.026 -0.360 1 1 345 . 16 1 1 A 27 27 LEU C C 27 179.172 178.227 0.945 1 1 346 . 16 1 1 A 27 27 LEU CA C 27 57.728 57.104 0.624 1 1 347 . 16 1 1 A 27 27 LEU CB C 27 42.008 41.295 0.713 1 1 351 . 16 1 1 A 27 27 LEU N N 27 119.374 118.652 0.722 1 1 352 . 16 1 1 A 28 28 GLN H H 28 7.536 8.008 -0.472 1 1 353 . 16 1 1 A 28 28 GLN HA H 28 4.215 4.211 0.004 1 1 360 . 16 1 1 A 28 28 GLN C C 28 177.261 176.171 1.090 1 1 361 . 16 1 1 A 28 28 GLN CA C 28 57.287 57.557 -0.270 1 1 362 . 16 1 1 A 28 28 GLN CB C 28 28.832 29.224 -0.392 1 1 364 . 16 1 1 A 28 28 GLN N N 28 116.095 117.241 -1.146 1 1 366 . 16 1 1 A 29 29 THR H H 29 7.480 8.060 -0.580 1 1 367 . 16 1 1 A 29 29 THR HA H 29 4.332 4.605 -0.273 1 1 372 . 16 1 1 A 29 29 THR C C 29 174.092 173.729 0.363 1 1 373 . 16 1 1 A 29 29 THR CA C 29 62.533 62.981 -0.448 1 1 374 . 16 1 1 A 29 29 THR CB C 29 70.435 71.726 -1.291 1 1 376 . 16 1 1 A 29 29 THR N N 29 108.609 113.944 -5.335 1 1 377 . 16 1 1 A 30 30 GLU H H 30 7.935 7.772 0.163 1 1 378 . 16 1 1 A 30 30 GLU HA H 30 4.221 4.586 -0.365 1 1 383 . 16 1 1 A 30 30 GLU CA C 30 54.719 53.842 0.877 1 1 384 . 16 1 1 A 30 30 GLU CB C 30 28.002 29.680 -1.678 1 1 386 . 16 1 1 A 30 30 GLU N N 30 119.400 119.155 0.245 1 1 387 . 16 1 1 A 31 31 PRO HA H 31 4.430 4.371 0.059 1 1 394 . 16 1 1 A 31 31 PRO C C 31 177.447 177.771 -0.324 1 1 395 . 16 1 1 A 31 31 PRO CA C 31 62.992 64.297 -1.305 1 1 396 . 16 1 1 A 31 31 PRO CB C 31 32.354 31.931 0.423 1 1 399 . 16 1 1 A 32 32 VAL H H 32 7.989 7.767 0.222 1 1 400 . 16 1 1 A 32 32 VAL HA H 32 4.211 3.901 0.310 1 1 408 . 16 1 1 A 32 32 VAL C C 32 176.778 177.113 -0.335 1 1 409 . 16 1 1 A 32 32 VAL CA C 32 62.755 64.717 -1.962 1 1 410 . 16 1 1 A 32 32 VAL CB C 32 32.697 31.558 1.139 1 1 412 . 16 1 1 A 32 32 VAL N N 32 118.439 116.618 1.821 1 1 413 . 16 1 1 A 33 33 GLY H H 33 8.764 8.013 0.751 1 1 414 . 16 1 1 A 33 33 GLY HA2 H 33 4.195 4.229 -0.034 1 1 415 . 16 1 1 A 33 33 GLY HA3 H 33 4.195 4.361 -0.166 1 1 416 . 16 1 1 A 33 33 GLY C C 33 176.287 175.403 0.884 1 1 417 . 16 1 1 A 33 33 GLY CA C 33 45.917 45.824 0.093 1 1 418 . 16 1 1 A 33 33 GLY N N 33 111.588 108.494 3.094 1 1 419 . 16 1 1 A 34 34 LYS H H 34 8.296 7.999 0.297 1 1 420 . 16 1 1 A 34 34 LYS HA H 34 3.839 4.155 -0.316 1 1 429 . 16 1 1 A 34 34 LYS C C 34 177.040 179.167 -2.127 1 1 430 . 16 1 1 A 34 34 LYS CA C 34 59.883 59.714 0.169 1 1 431 . 16 1 1 A 34 34 LYS CB C 34 32.883 32.144 0.739 1 1 435 . 16 1 1 A 34 34 LYS N N 34 119.887 119.452 0.435 1 1 436 . 16 1 1 A 35 35 ASP H H 35 9.065 8.683 0.382 1 1 437 . 16 1 1 A 35 35 ASP HA H 35 4.362 4.581 -0.219 1 1 440 . 16 1 1 A 35 35 ASP C C 35 177.018 178.721 -1.703 1 1 441 . 16 1 1 A 35 35 ASP CA C 35 57.636 57.274 0.362 1 1 442 . 16 1 1 A 35 35 ASP CB C 35 41.086 39.877 1.209 1 1 443 . 16 1 1 A 35 35 ASP N N 35 115.065 118.531 -3.466 1 1 444 . 16 1 1 A 36 36 GLU H H 36 7.474 8.340 -0.866 1 1 445 . 16 1 1 A 36 36 GLU HA H 36 4.275 4.059 0.216 1 1 450 . 16 1 1 A 36 36 GLU C C 36 178.261 178.487 -0.226 1 1 451 . 16 1 1 A 36 36 GLU CA C 36 59.046 59.656 -0.610 1 1 452 . 16 1 1 A 36 36 GLU CB C 36 29.283 29.279 0.004 1 1 454 . 16 1 1 A 36 36 GLU N N 36 121.291 120.371 0.920 1 1 455 . 16 1 1 A 37 37 ALA H H 37 7.674 7.658 0.016 1 1 456 . 16 1 1 A 37 37 ALA HA H 37 3.887 3.974 -0.087 1 1 460 . 16 1 1 A 37 37 ALA C C 37 179.161 179.747 -0.586 1 1 461 . 16 1 1 A 37 37 ALA CA C 37 55.091 55.072 0.019 1 1 462 . 16 1 1 A 37 37 ALA CB C 37 17.925 18.181 -0.256 1 1 463 . 16 1 1 A 37 37 ALA N N 37 120.365 122.238 -1.873 1 1 464 . 16 1 1 A 38 38 TYR H H 38 8.175 8.658 -0.483 1 1 465 . 16 1 1 A 38 38 TYR HA H 38 4.422 4.381 0.041 1 1 472 . 16 1 1 A 38 38 TYR C C 38 178.497 178.477 0.020 1 1 473 . 16 1 1 A 38 38 TYR CA C 38 62.662 60.768 1.894 1 1 474 . 16 1 1 A 38 38 TYR CB C 38 37.996 38.135 -0.139 1 1 477 . 16 1 1 A 38 38 TYR N N 38 117.027 116.222 0.805 1 1 478 . 16 1 1 A 39 39 TYR H H 39 8.321 8.097 0.224 1 1 479 . 16 1 1 A 39 39 TYR HA H 39 4.413 4.495 -0.082 1 1 486 . 16 1 1 A 39 39 TYR C C 39 176.311 177.138 -0.827 1 1 487 . 16 1 1 A 39 39 TYR CA C 39 60.856 61.933 -1.077 1 1 488 . 16 1 1 A 39 39 TYR CB C 39 38.015 38.895 -0.880 1 1 491 . 16 1 1 A 39 39 TYR N N 39 120.527 120.873 -0.346 1 1 492 . 16 1 1 A 40 40 LEU H H 40 8.508 8.487 0.021 1 1 493 . 16 1 1 A 40 40 LEU HA H 40 3.585 3.927 -0.342 1 1 503 . 16 1 1 A 40 40 LEU C C 40 178.857 179.353 -0.496 1 1 504 . 16 1 1 A 40 40 LEU CA C 40 57.723 57.661 0.062 1 1 505 . 16 1 1 A 40 40 LEU CB C 40 41.543 41.174 0.369 1 1 509 . 16 1 1 A 40 40 LEU N N 40 118.925 120.444 -1.519 1 1 510 . 16 1 1 A 41 41 MET H H 41 8.661 8.506 0.155 1 1 511 . 16 1 1 A 41 41 MET HA H 41 3.611 4.015 -0.404 1 1 519 . 16 1 1 A 41 41 MET C C 41 178.325 178.782 -0.457 1 1 520 . 16 1 1 A 41 41 MET CA C 41 59.498 59.226 0.272 1 1 521 . 16 1 1 A 41 41 MET CB C 41 32.806 32.444 0.362 1 1 524 . 16 1 1 A 41 41 MET N N 41 119.892 118.024 1.868 1 1 525 . 16 1 1 A 42 42 GLY H H 42 8.531 8.332 0.199 1 1 526 . 16 1 1 A 42 42 GLY HA2 H 42 3.564 2.843 0.721 1 1 527 . 16 1 1 A 42 42 GLY HA3 H 42 3.164 3.535 -0.371 1 1 528 . 16 1 1 A 42 42 GLY C C 42 174.726 175.821 -1.095 1 1 529 . 16 1 1 A 42 42 GLY CA C 42 48.104 47.057 1.047 1 1 530 . 16 1 1 A 42 42 GLY N N 42 107.064 108.734 -1.670 1 1 531 . 16 1 1 A 43 43 ASN H H 43 8.260 8.018 0.242 1 1 532 . 16 1 1 A 43 43 ASN HA H 43 4.334 4.486 -0.152 1 1 537 . 16 1 1 A 43 43 ASN C C 43 178.111 177.975 0.136 1 1 538 . 16 1 1 A 43 43 ASN CA C 43 54.966 56.973 -2.007 1 1 539 . 16 1 1 A 43 43 ASN CB C 43 36.326 38.379 -2.053 1 1 540 . 16 1 1 A 43 43 ASN N N 43 120.815 119.854 0.961 1 1 542 . 16 1 1 A 44 44 ALA H H 44 8.487 7.663 0.824 1 1 543 . 16 1 1 A 44 44 ALA HA H 44 3.788 3.953 -0.165 1 1 547 . 16 1 1 A 44 44 ALA C C 44 178.389 179.331 -0.942 1 1 548 . 16 1 1 A 44 44 ALA CA C 44 55.152 54.977 0.175 1 1 549 . 16 1 1 A 44 44 ALA CB C 44 16.897 17.764 -0.867 1 1 550 . 16 1 1 A 44 44 ALA N N 44 125.304 123.233 2.071 1 1 551 . 16 1 1 A 45 45 TYR H H 45 8.160 8.070 0.090 1 1 552 . 16 1 1 A 45 45 TYR HA H 45 4.168 4.229 -0.061 1 1 559 . 16 1 1 A 45 45 TYR C C 45 178.775 179.036 -0.261 1 1 560 . 16 1 1 A 45 45 TYR CA C 45 62.995 61.598 1.397 1 1 561 . 16 1 1 A 45 45 TYR CB C 45 36.944 37.869 -0.925 1 1 564 . 16 1 1 A 45 45 TYR N N 45 115.156 115.916 -0.760 1 1 565 . 16 1 1 A 46 46 ARG H H 46 8.901 8.387 0.514 1 1 566 . 16 1 1 A 46 46 ARG HA H 46 3.677 3.594 0.083 1 1 573 . 16 1 1 A 46 46 ARG C C 46 179.396 178.415 0.981 1 1 574 . 16 1 1 A 46 46 ARG CA C 46 59.924 58.195 1.729 1 1 575 . 16 1 1 A 46 46 ARG CB C 46 30.131 29.710 0.421 1 1 578 . 16 1 1 A 46 46 ARG N N 46 121.781 118.663 3.118 1 1 579 . 16 1 1 A 47 47 LYS H H 47 7.813 7.417 0.396 1 1 580 . 16 1 1 A 47 47 LYS HA H 47 4.058 4.114 -0.056 1 1 589 . 16 1 1 A 47 47 LYS C C 47 178.111 179.254 -1.143 1 1 590 . 16 1 1 A 47 47 LYS CA C 47 58.950 58.816 0.134 1 1 591 . 16 1 1 A 47 47 LYS CB C 47 31.906 31.631 0.275 1 1 595 . 16 1 1 A 47 47 LYS N N 47 120.818 119.655 1.163 1 1 596 . 16 1 1 A 48 48 LEU H H 48 7.312 7.238 0.074 1 1 597 . 16 1 1 A 48 48 LEU HA H 48 4.228 4.014 0.214 1 1 607 . 16 1 1 A 48 48 LEU C C 48 177.254 177.040 0.214 1 1 608 . 16 1 1 A 48 48 LEU CA C 48 54.908 56.084 -1.176 1 1 609 . 16 1 1 A 48 48 LEU CB C 48 42.475 43.136 -0.661 1 1 613 . 16 1 1 A 48 48 LEU N N 48 116.553 117.087 -0.534 1 1 614 . 16 1 1 A 49 49 GLY H H 49 7.564 7.677 -0.113 1 1 615 . 16 1 1 A 49 49 GLY HA2 H 49 3.607 3.795 -0.188 1 1 616 . 16 1 1 A 49 49 GLY HA3 H 49 2.316 3.961 -1.645 1 1 617 . 16 1 1 A 49 49 GLY C C 49 172.900 173.291 -0.391 1 1 618 . 16 1 1 A 49 49 GLY CA C 49 44.184 44.675 -0.491 1 1 619 . 16 1 1 A 49 49 GLY N N 49 107.326 105.657 1.669 1 1 620 . 16 1 1 A 50 50 ASP H H 50 7.670 7.748 -0.078 1 1 621 . 16 1 1 A 50 50 ASP HA H 50 4.564 4.738 -0.174 1 1 624 . 16 1 1 A 50 50 ASP C C 50 175.681 175.418 0.263 1 1 625 . 16 1 1 A 50 50 ASP CA C 50 51.083 52.650 -1.567 1 1 626 . 16 1 1 A 50 50 ASP CB C 50 39.169 42.450 -3.281 1 1 627 . 16 1 1 A 50 50 ASP N N 50 120.356 119.636 0.720 1 1 628 . 16 1 1 A 51 51 TRP H H 51 6.939 8.762 -1.823 1 1 629 . 16 1 1 A 51 51 TRP HA H 51 4.314 4.808 -0.494 1 1 638 . 16 1 1 A 51 51 TRP C C 51 178.047 177.956 0.091 1 1 639 . 16 1 1 A 51 51 TRP CA C 51 58.473 58.236 0.237 1 1 640 . 16 1 1 A 51 51 TRP CB C 51 30.099 31.122 -1.023 1 1 646 . 16 1 1 A 51 51 TRP N N 51 121.784 125.940 -4.156 1 1 648 . 16 1 1 A 52 52 GLN H H 52 8.677 8.544 0.133 1 1 649 . 16 1 1 A 52 52 GLN HA H 52 3.960 3.991 -0.031 1 1 656 . 16 1 1 A 52 52 GLN C C 52 178.454 178.014 0.440 1 1 657 . 16 1 1 A 52 52 GLN CA C 52 58.925 58.728 0.197 1 1 658 . 16 1 1 A 52 52 GLN CB C 52 28.183 28.790 -0.607 1 1 660 . 16 1 1 A 52 52 GLN N N 52 117.018 121.848 -4.830 1 1 662 . 16 1 1 A 53 53 LYS H H 53 7.392 8.255 -0.863 1 1 663 . 16 1 1 A 53 53 LYS HA H 53 3.774 3.823 -0.049 1 1 672 . 16 1 1 A 53 53 LYS C C 53 180.361 178.918 1.443 1 1 673 . 16 1 1 A 53 53 LYS CA C 53 59.764 59.219 0.545 1 1 674 . 16 1 1 A 53 53 LYS CB C 53 30.802 31.693 -0.891 1 1 678 . 16 1 1 A 53 53 LYS N N 53 117.913 119.077 -1.164 1 1 679 . 16 1 1 A 54 54 ALA H H 54 8.223 7.842 0.381 1 1 680 . 16 1 1 A 54 54 ALA HA H 54 4.012 4.086 -0.074 1 1 684 . 16 1 1 A 54 54 ALA C C 54 177.635 180.276 -2.641 1 1 685 . 16 1 1 A 54 54 ALA CA C 54 55.792 54.910 0.882 1 1 686 . 16 1 1 A 54 54 ALA CB C 54 17.045 17.850 -0.805 1 1 687 . 16 1 1 A 54 54 ALA N N 54 123.665 122.086 1.579 1 1 688 . 16 1 1 A 55 55 LEU H H 55 8.425 8.497 -0.072 1 1 689 . 16 1 1 A 55 55 LEU HA H 55 4.010 4.036 -0.026 1 1 699 . 16 1 1 A 55 55 LEU C C 55 179.568 179.252 0.316 1 1 700 . 16 1 1 A 55 55 LEU CA C 55 58.611 58.204 0.407 1 1 701 . 16 1 1 A 55 55 LEU CB C 55 41.500 41.501 -0.001 1 1 705 . 16 1 1 A 55 55 LEU N N 55 116.583 119.012 -2.429 1 1 706 . 16 1 1 A 56 56 ASN H H 56 8.284 7.818 0.466 1 1 707 . 16 1 1 A 56 56 ASN HA H 56 4.360 4.494 -0.134 1 1 712 . 16 1 1 A 56 56 ASN C C 56 177.790 177.646 0.144 1 1 713 . 16 1 1 A 56 56 ASN CA C 56 55.852 55.882 -0.030 1 1 714 . 16 1 1 A 56 56 ASN CB C 56 37.882 38.595 -0.713 1 1 715 . 16 1 1 A 56 56 ASN N N 56 117.763 118.219 -0.456 1 1 717 . 16 1 1 A 57 57 ASN H H 57 7.600 8.610 -1.010 1 1 718 . 16 1 1 A 57 57 ASN HA H 57 4.425 4.419 0.006 1 1 723 . 16 1 1 A 57 57 ASN C C 57 177.404 177.196 0.208 1 1 724 . 16 1 1 A 57 57 ASN CA C 57 58.105 55.991 2.114 1 1 725 . 16 1 1 A 57 57 ASN CB C 57 38.931 37.796 1.135 1 1 726 . 16 1 1 A 57 57 ASN N N 57 118.927 117.584 1.343 1 1 728 . 16 1 1 A 58 58 TYR H H 58 8.838 8.193 0.645 1 1 729 . 16 1 1 A 58 58 TYR HA H 58 4.667 4.341 0.326 1 1 736 . 16 1 1 A 58 58 TYR C C 58 178.047 178.479 -0.432 1 1 737 . 16 1 1 A 58 58 TYR CA C 58 58.430 61.782 -3.352 1 1 738 . 16 1 1 A 58 58 TYR CB C 58 36.743 37.911 -1.168 1 1 741 . 16 1 1 A 58 58 TYR N N 58 118.473 118.448 0.025 1 1 742 . 16 1 1 A 59 59 GLN H H 59 8.572 8.061 0.511 1 1 743 . 16 1 1 A 59 59 GLN HA H 59 4.022 4.089 -0.067 1 1 750 . 16 1 1 A 59 59 GLN C C 59 178.040 178.299 -0.259 1 1 751 . 16 1 1 A 59 59 GLN CA C 59 59.054 59.126 -0.072 1 1 752 . 16 1 1 A 59 59 GLN CB C 59 27.126 28.558 -1.432 1 1 754 . 16 1 1 A 59 59 GLN N N 59 118.483 120.185 -1.702 1 1 756 . 16 1 1 A 60 60 SER H H 60 7.696 8.171 -0.475 1 1 757 . 16 1 1 A 60 60 SER HA H 60 3.931 3.935 -0.004 1 1 760 . 16 1 1 A 60 60 SER C C 60 175.926 176.255 -0.329 1 1 761 . 16 1 1 A 60 60 SER CA C 60 62.121 61.693 0.428 1 1 762 . 16 1 1 A 60 60 SER CB C 60 61.244 62.102 -0.858 1 1 763 . 16 1 1 A 60 60 SER N N 60 116.103 117.311 -1.208 1 1 764 . 16 1 1 A 61 61 ALA H H 61 7.739 7.451 0.288 1 1 765 . 16 1 1 A 61 61 ALA HA H 61 4.075 4.236 -0.161 1 1 769 . 16 1 1 A 61 61 ALA C C 61 178.686 179.735 -1.049 1 1 770 . 16 1 1 A 61 61 ALA CA C 61 56.019 55.028 0.991 1 1 771 . 16 1 1 A 61 61 ALA CB C 61 18.790 18.460 0.330 1 1 772 . 16 1 1 A 61 61 ALA N N 61 122.319 122.902 -0.583 1 1 773 . 16 1 1 A 62 62 ILE H H 62 7.991 8.063 -0.072 1 1 774 . 16 1 1 A 62 62 ILE HA H 62 3.857 3.577 0.280 1 1 784 . 16 1 1 A 62 62 ILE C C 62 178.131 178.359 -0.228 1 1 785 . 16 1 1 A 62 62 ILE CA C 62 63.418 65.328 -1.910 1 1 786 . 16 1 1 A 62 62 ILE CB C 62 39.119 37.773 1.346 1 1 790 . 16 1 1 A 62 62 ILE N N 62 117.981 118.700 -0.719 1 1 791 . 16 1 1 A 63 63 GLU H H 63 7.988 8.404 -0.416 1 1 792 . 16 1 1 A 63 63 GLU HA H 63 3.902 4.268 -0.366 1 1 797 . 16 1 1 A 63 63 GLU C C 63 178.564 178.277 0.287 1 1 798 . 16 1 1 A 63 63 GLU CA C 63 58.594 58.434 0.160 1 1 799 . 16 1 1 A 63 63 GLU CB C 63 29.278 29.173 0.105 1 1 801 . 16 1 1 A 63 63 GLU N N 63 118.190 118.932 -0.742 1 1 802 . 16 1 1 A 64 64 LEU H H 64 7.024 7.373 -0.349 1 1 803 . 16 1 1 A 64 64 LEU HA H 64 4.347 4.253 0.094 1 1 813 . 16 1 1 A 64 64 LEU C C 64 177.496 177.017 0.479 1 1 814 . 16 1 1 A 64 64 LEU CA C 64 55.810 56.386 -0.576 1 1 815 . 16 1 1 A 64 64 LEU CB C 64 43.746 43.071 0.675 1 1 819 . 16 1 1 A 64 64 LEU N N 64 116.109 118.831 -2.722 1 1 820 . 16 1 1 A 65 65 ASN H H 65 8.270 7.887 0.383 1 1 821 . 16 1 1 A 65 65 ASN HA H 65 5.068 5.119 -0.051 1 1 826 . 16 1 1 A 65 65 ASN C C 65 172.512 174.623 -2.111 1 1 827 . 16 1 1 A 65 65 ASN CA C 65 49.457 50.957 -1.500 1 1 828 . 16 1 1 A 65 65 ASN CB C 65 38.936 41.541 -2.605 1 1 829 . 16 1 1 A 65 65 ASN N N 65 116.544 114.280 2.264 1 1 831 . 16 1 1 A 66 66 PRO HA H 66 4.467 4.364 0.103 1 1 838 . 16 1 1 A 66 66 PRO C C 66 176.054 177.033 -0.979 1 1 839 . 16 1 1 A 66 66 PRO CA C 66 63.894 64.490 -0.596 1 1 840 . 16 1 1 A 66 66 PRO CB C 66 31.935 31.992 -0.057 1 1 843 . 16 1 1 A 67 67 ASP H H 67 7.326 8.390 -1.064 1 1 844 . 16 1 1 A 67 67 ASP HA H 67 4.863 4.786 0.077 1 1 847 . 16 1 1 A 67 67 ASP C C 67 175.647 175.357 0.290 1 1 848 . 16 1 1 A 67 67 ASP CA C 67 53.273 53.864 -0.591 1 1 849 . 16 1 1 A 67 67 ASP CB C 67 41.453 41.247 0.206 1 1 850 . 16 1 1 A 67 67 ASP N N 67 114.579 117.630 -3.051 1 1 851 . 16 1 1 A 68 68 SER H H 68 7.670 7.764 -0.094 1 1 852 . 16 1 1 A 68 68 SER HA H 68 4.315 4.661 -0.346 1 1 856 . 16 1 1 A 68 68 SER C C 68 175.108 174.284 0.824 1 1 857 . 16 1 1 A 68 68 SER CA C 68 56.422 55.137 1.285 1 1 858 . 16 1 1 A 68 68 SER CB C 68 63.880 63.945 -0.065 1 1 859 . 16 1 1 A 68 68 SER N N 68 115.624 117.269 -1.645 1 1 860 . 16 1 1 A 69 69 PRO HA H 69 4.588 4.168 0.420 1 1 867 . 16 1 1 A 69 69 PRO C C 69 177.083 177.274 -0.191 1 1 868 . 16 1 1 A 69 69 PRO CA C 69 63.870 64.730 -0.860 1 1 869 . 16 1 1 A 69 69 PRO CB C 69 30.612 31.377 -0.765 1 1 872 . 16 1 1 A 70 70 ALA H H 70 8.442 7.956 0.486 1 1 873 . 16 1 1 A 70 70 ALA HA H 70 3.679 4.298 -0.619 1 1 877 . 16 1 1 A 70 70 ALA C C 70 177.667 179.522 -1.855 1 1 878 . 16 1 1 A 70 70 ALA CA C 70 54.025 54.180 -0.155 1 1 879 . 16 1 1 A 70 70 ALA CB C 70 20.741 18.721 2.020 1 1 880 . 16 1 1 A 70 70 ALA N N 70 121.749 119.610 2.139 1 1 881 . 16 1 1 A 71 71 LEU H H 71 7.956 8.142 -0.186 1 1 882 . 16 1 1 A 71 71 LEU HA H 71 3.883 4.086 -0.203 1 1 892 . 16 1 1 A 71 71 LEU C C 71 179.241 178.591 0.650 1 1 893 . 16 1 1 A 71 71 LEU CA C 71 58.602 57.905 0.697 1 1 894 . 16 1 1 A 71 71 LEU CB C 71 41.987 41.660 0.327 1 1 898 . 16 1 1 A 71 71 LEU N N 71 119.448 121.057 -1.609 1 1 899 . 16 1 1 A 72 72 GLN H H 72 7.464 7.840 -0.376 1 1 900 . 16 1 1 A 72 72 GLN HA H 72 4.049 4.108 -0.059 1 1 907 . 16 1 1 A 72 72 GLN C C 72 178.432 178.547 -0.115 1 1 908 . 16 1 1 A 72 72 GLN CA C 72 58.626 58.897 -0.271 1 1 909 . 16 1 1 A 72 72 GLN CB C 72 27.557 27.674 -0.117 1 1 911 . 16 1 1 A 72 72 GLN N N 72 117.976 117.761 0.215 1 1 913 . 16 1 1 A 73 73 ALA H H 73 7.296 7.874 -0.578 1 1 914 . 16 1 1 A 73 73 ALA HA H 73 4.017 3.830 0.187 1 1 918 . 16 1 1 A 73 73 ALA C C 73 178.775 179.120 -0.345 1 1 919 . 16 1 1 A 73 73 ALA CA C 73 54.688 55.176 -0.488 1 1 920 . 16 1 1 A 73 73 ALA CB C 73 17.473 17.712 -0.239 1 1 921 . 16 1 1 A 73 73 ALA N N 73 123.083 122.930 0.153 1 1 922 . 16 1 1 A 74 74 ARG H H 74 8.328 7.767 0.561 1 1 923 . 16 1 1 A 74 74 ARG HA H 74 3.820 4.183 -0.363 1 1 931 . 16 1 1 A 74 74 ARG C C 74 177.297 178.358 -1.061 1 1 932 . 16 1 1 A 74 74 ARG CA C 74 59.805 59.109 0.696 1 1 933 . 16 1 1 A 74 74 ARG CB C 74 29.773 29.871 -0.098 1 1 936 . 16 1 1 A 74 74 ARG N N 74 117.535 118.230 -0.695 1 1 938 . 16 1 1 A 75 75 LYS H H 75 7.123 7.616 -0.493 1 1 939 . 16 1 1 A 75 75 LYS HA H 75 3.960 4.074 -0.114 1 1 948 . 16 1 1 A 75 75 LYS C C 75 178.071 178.592 -0.521 1 1 949 . 16 1 1 A 75 75 LYS CA C 75 59.488 59.072 0.416 1 1 950 . 16 1 1 A 75 75 LYS CB C 75 31.928 31.953 -0.025 1 1 954 . 16 1 1 A 75 75 LYS N N 75 119.136 119.426 -0.290 1 1 955 . 16 1 1 A 76 76 MET H H 76 7.673 8.139 -0.466 1 1 956 . 16 1 1 A 76 76 MET HA H 76 4.205 4.086 0.119 1 1 964 . 16 1 1 A 76 76 MET C C 76 178.925 178.067 0.858 1 1 965 . 16 1 1 A 76 76 MET CA C 76 58.637 58.739 -0.102 1 1 966 . 16 1 1 A 76 76 MET CB C 76 32.344 32.323 0.021 1 1 969 . 16 1 1 A 76 76 MET N N 76 116.794 119.154 -2.360 1 1 970 . 16 1 1 A 77 77 VAL H H 77 7.928 8.077 -0.149 1 1 971 . 16 1 1 A 77 77 VAL HA H 77 3.601 3.439 0.162 1 1 979 . 16 1 1 A 77 77 VAL C C 77 177.318 178.285 -0.967 1 1 980 . 16 1 1 A 77 77 VAL CA C 77 66.468 66.648 -0.180 1 1 981 . 16 1 1 A 77 77 VAL CB C 77 31.477 31.466 0.011 1 1 984 . 16 1 1 A 77 77 VAL N N 77 117.999 118.964 -0.965 1 1 985 . 16 1 1 A 78 78 MET H H 78 8.446 8.270 0.176 1 1 986 . 16 1 1 A 78 78 MET HA H 78 4.136 4.142 -0.006 1 1 994 . 16 1 1 A 78 78 MET C C 78 178.542 177.775 0.767 1 1 995 . 16 1 1 A 78 78 MET CA C 78 58.514 57.539 0.975 1 1 996 . 16 1 1 A 78 78 MET CB C 78 31.036 31.069 -0.033 1 1 999 . 16 1 1 A 78 78 MET N N 78 119.079 117.517 1.562 1 1 1000 . 16 1 1 A 79 79 ASP H H 79 8.202 8.101 0.101 1 1 1001 . 16 1 1 A 79 79 ASP HA H 79 4.419 4.339 0.080 1 1 1004 . 16 1 1 A 79 79 ASP C C 79 179.097 178.435 0.662 1 1 1005 . 16 1 1 A 79 79 ASP CA C 79 57.277 57.436 -0.159 1 1 1006 . 16 1 1 A 79 79 ASP CB C 79 39.813 41.026 -1.213 1 1 1007 . 16 1 1 A 79 79 ASP N N 79 119.422 120.195 -0.773 1 1 1008 . 16 1 1 A 80 80 ILE H H 80 7.625 8.016 -0.391 1 1 1009 . 16 1 1 A 80 80 ILE HA H 80 3.643 3.394 0.249 1 1 1019 . 16 1 1 A 80 80 ILE C C 80 178.024 178.189 -0.165 1 1 1020 . 16 1 1 A 80 80 ILE CA C 80 64.717 65.279 -0.562 1 1 1021 . 16 1 1 A 80 80 ILE CB C 80 37.661 37.396 0.265 1 1 1025 . 16 1 1 A 80 80 ILE N N 80 121.750 119.323 2.427 1 1 1026 . 16 1 1 A 81 81 LEU H H 81 8.071 8.440 -0.369 1 1 1027 . 16 1 1 A 81 81 LEU HA H 81 3.908 3.820 0.088 1 1 1037 . 16 1 1 A 81 81 LEU C C 81 178.852 179.134 -0.282 1 1 1038 . 16 1 1 A 81 81 LEU CA C 81 57.329 57.884 -0.555 1 1 1039 . 16 1 1 A 81 81 LEU CB C 81 41.544 40.735 0.809 1 1 1043 . 16 1 1 A 81 81 LEU N N 81 119.850 119.176 0.674 1 1 1044 . 16 1 1 A 82 82 ASN H H 82 8.188 7.811 0.377 1 1 1045 . 16 1 1 A 82 82 ASN HA H 82 4.417 4.266 0.151 1 1 1050 . 16 1 1 A 82 82 ASN C C 82 176.440 177.630 -1.190 1 1 1051 . 16 1 1 A 82 82 ASN CA C 82 55.011 56.285 -1.274 1 1 1052 . 16 1 1 A 82 82 ASN CB C 82 38.461 38.782 -0.321 1 1 1053 . 16 1 1 A 82 82 ASN N N 82 116.186 117.831 -1.645 1 1 1055 . 16 1 1 A 83 83 PHE H H 83 7.779 7.538 0.241 1 1 1056 . 16 1 1 A 83 83 PHE HA H 83 4.352 4.115 0.237 1 1 1064 . 16 1 1 A 83 83 PHE C C 83 176.767 177.504 -0.737 1 1 1065 . 16 1 1 A 83 83 PHE CA C 83 59.557 60.525 -0.968 1 1 1066 . 16 1 1 A 83 83 PHE CB C 83 38.944 38.541 0.403 1 1 1070 . 16 1 1 A 83 83 PHE N N 83 118.925 117.944 0.981 1 1 1071 . 16 1 1 A 84 84 TYR H H 84 8.057 7.852 0.205 1 1 1072 . 16 1 1 A 84 84 TYR HA H 84 4.388 4.483 -0.095 1 1 1079 . 16 1 1 A 84 84 TYR C C 84 176.233 176.092 0.141 1 1 1080 . 16 1 1 A 84 84 TYR CA C 84 59.261 60.066 -0.805 1 1 1081 . 16 1 1 A 84 84 TYR CB C 84 38.503 39.031 -0.528 1 1 1084 . 16 1 1 A 84 84 TYR N N 84 118.223 117.809 0.414 1 1 1085 . 16 1 1 A 85 85 ASN H H 85 8.192 8.110 0.082 1 1 1086 . 16 1 1 A 85 85 ASN HA H 85 4.679 5.117 -0.438 1 1 1091 . 16 1 1 A 85 85 ASN C C 85 175.367 174.939 0.428 1 1 1092 . 16 1 1 A 85 85 ASN CA C 85 53.261 52.109 1.152 1 1 1093 . 16 1 1 A 85 85 ASN CB C 85 38.501 41.606 -3.105 1 1 1094 . 16 1 1 A 85 85 ASN N N 85 118.935 112.341 6.594 1 1 1096 . 16 1 1 A 86 86 LYS H H 86 8.151 8.709 -0.558 1 1 1097 . 16 1 1 A 86 86 LYS HA H 86 4.151 4.675 -0.524 1 1 1106 . 16 1 1 A 86 86 LYS C C 86 176.981 177.919 -0.938 1 1 1107 . 16 1 1 A 86 86 LYS CA C 86 57.714 56.616 1.098 1 1 1108 . 16 1 1 A 86 86 LYS CB C 86 32.368 32.748 -0.380 1 1 1112 . 16 1 1 A 86 86 LYS N N 86 121.533 119.077 2.456 1 1 1113 . 16 1 1 A 87 87 ASP H H 87 8.269 8.114 0.155 1 1 1114 . 16 1 1 A 87 87 ASP HA H 87 4.553 4.243 0.310 1 1 1117 . 16 1 1 A 87 87 ASP C C 87 177.209 178.260 -1.051 1 1 1118 . 16 1 1 A 87 87 ASP CA C 87 55.538 57.438 -1.900 1 1 1119 . 16 1 1 A 87 87 ASP CB C 87 40.677 41.351 -0.674 1 1 1120 . 16 1 1 A 87 87 ASP N N 87 119.408 121.218 -1.810 1 1 1121 . 16 1 1 A 88 88 MET H H 88 7.941 8.723 -0.782 1 1 1122 . 16 1 1 A 88 88 MET HA H 88 4.257 4.438 -0.181 1 1 1130 . 16 1 1 A 88 88 MET C C 88 176.851 178.036 -1.185 1 1 1131 . 16 1 1 A 88 88 MET CA C 88 56.461 58.004 -1.543 1 1 1132 . 16 1 1 A 88 88 MET CB C 88 32.371 32.695 -0.324 1 1 1135 . 16 1 1 A 88 88 MET N N 88 119.377 117.910 1.467 1 1 1136 . 16 1 1 A 89 89 TYR H H 89 8.094 8.188 -0.094 1 1 1137 . 16 1 1 A 89 89 TYR HA H 89 4.350 4.176 0.174 1 1 1144 . 16 1 1 A 89 89 TYR C C 89 176.252 177.982 -1.730 1 1 1145 . 16 1 1 A 89 89 TYR CA C 89 59.097 61.580 -2.483 1 1 1146 . 16 1 1 A 89 89 TYR CB C 89 38.051 38.646 -0.595 1 1 1149 . 16 1 1 A 89 89 TYR N N 89 119.418 122.536 -3.118 1 1 1150 . 16 1 1 A 90 90 ASN H H 90 8.244 8.794 -0.550 1 1 1151 . 16 1 1 A 90 90 ASN HA H 90 4.573 4.430 0.143 1 1 1156 . 16 1 1 A 90 90 ASN C C 90 175.907 176.801 -0.894 1 1 1157 . 16 1 1 A 90 90 ASN CA C 90 53.867 56.592 -2.725 1 1 1158 . 16 1 1 A 90 90 ASN CB C 90 38.479 38.882 -0.403 1 1 1159 . 16 1 1 A 90 90 ASN N N 90 118.918 117.273 1.645 1 1 1161 . 16 1 1 A 91 91 GLN H H 91 8.176 8.144 0.032 1 1 1162 . 16 1 1 A 91 91 GLN HA H 91 4.216 4.116 0.100 1 1 1169 . 16 1 1 A 91 91 GLN C C 91 176.568 178.579 -2.011 1 1 1170 . 16 1 1 A 91 91 GLN CA C 91 56.600 58.253 -1.653 1 1 1171 . 16 1 1 A 91 91 GLN CB C 91 28.859 28.908 -0.049 1 1 1173 . 16 1 1 A 91 91 GLN N N 91 119.648 117.115 2.533 1 1 1175 . 16 1 1 A 92 92 LEU H H 92 8.015 8.204 -0.189 1 1 1176 . 16 1 1 A 92 92 LEU HA H 92 4.214 4.009 0.205 1 1 1186 . 16 1 1 A 92 92 LEU C C 92 177.661 177.098 0.563 1 1 1187 . 16 1 1 A 92 92 LEU CA C 92 55.550 58.112 -2.562 1 1 1188 . 16 1 1 A 92 92 LEU CB C 92 41.994 41.934 0.060 1 1 1192 . 16 1 1 A 92 92 LEU N N 92 121.059 122.329 -1.270 1 1 1193 . 16 1 1 A 93 93 GLU H H 93 8.132 7.868 0.264 1 1 1194 . 16 1 1 A 93 93 GLU HA H 93 4.099 4.270 -0.171 1 1 1199 . 16 1 1 A 93 93 GLU C C 93 176.461 174.581 1.880 1 1 1200 . 16 1 1 A 93 93 GLU CA C 93 56.838 55.050 1.788 1 1 1201 . 16 1 1 A 93 93 GLU CB C 93 29.803 28.691 1.112 1 1 1203 . 16 1 1 A 93 93 GLU N N 93 119.896 118.080 1.816 1 1 1204 . 16 1 1 A 94 94 HIS H H 94 8.134 8.495 -0.361 1 1 1205 . 16 1 1 A 94 94 HIS C C 94 174.994 173.808 1.186 1 1 1206 . 16 1 1 A 94 94 HIS CA C 94 56.075 53.695 2.380 1 1 1207 . 16 1 1 A 94 94 HIS CB C 94 29.997 30.567 -0.570 1 1 1 . 17 1 1 A 2 2 ASP HA H 2 4.708 4.617 0.091 1 1 4 . 17 1 1 A 2 2 ASP C C 2 176.847 177.084 -0.237 1 1 5 . 17 1 1 A 2 2 ASP CA C 2 53.800 54.762 -0.962 1 1 6 . 17 1 1 A 2 2 ASP CB C 2 40.922 41.410 -0.488 1 1 7 . 17 1 1 A 3 3 GLN H H 3 9.117 8.607 0.510 1 1 8 . 17 1 1 A 3 3 GLN HA H 3 4.139 3.976 0.163 1 1 15 . 17 1 1 A 3 3 GLN C C 3 177.725 177.524 0.201 1 1 16 . 17 1 1 A 3 3 GLN CA C 3 58.612 59.199 -0.587 1 1 17 . 17 1 1 A 3 3 GLN CB C 3 28.880 28.725 0.155 1 1 19 . 17 1 1 A 3 3 GLN N N 3 124.129 122.876 1.253 1 1 21 . 17 1 1 A 4 4 LEU H H 4 8.285 7.881 0.404 1 1 22 . 17 1 1 A 4 4 LEU HA H 4 3.947 3.697 0.250 1 1 32 . 17 1 1 A 4 4 LEU C C 4 178.111 179.057 -0.946 1 1 33 . 17 1 1 A 4 4 LEU CA C 4 56.421 57.803 -1.382 1 1 34 . 17 1 1 A 4 4 LEU CB C 4 40.690 41.335 -0.645 1 1 38 . 17 1 1 A 4 4 LEU N N 4 117.977 120.113 -2.136 1 1 39 . 17 1 1 A 5 5 LYS H H 5 7.624 7.796 -0.172 1 1 40 . 17 1 1 A 5 5 LYS HA H 5 3.837 3.958 -0.121 1 1 49 . 17 1 1 A 5 5 LYS C C 5 178.775 179.093 -0.318 1 1 50 . 17 1 1 A 5 5 LYS CA C 5 59.939 59.498 0.441 1 1 51 . 17 1 1 A 5 5 LYS CB C 5 32.344 32.153 0.191 1 1 55 . 17 1 1 A 5 5 LYS N N 5 121.000 120.442 0.558 1 1 56 . 17 1 1 A 6 6 THR H H 6 7.852 7.899 -0.047 1 1 57 . 17 1 1 A 6 6 THR HA H 6 3.908 3.863 0.045 1 1 62 . 17 1 1 A 6 6 THR C C 6 176.483 176.674 -0.191 1 1 63 . 17 1 1 A 6 6 THR CA C 6 66.062 66.813 -0.751 1 1 64 . 17 1 1 A 6 6 THR CB C 6 68.255 68.172 0.083 1 1 66 . 17 1 1 A 6 6 THR N N 6 115.606 116.552 -0.946 1 1 67 . 17 1 1 A 7 7 ILE H H 7 7.791 8.047 -0.256 1 1 68 . 17 1 1 A 7 7 ILE HA H 7 3.422 3.510 -0.088 1 1 78 . 17 1 1 A 7 7 ILE C C 7 177.219 178.412 -1.193 1 1 79 . 17 1 1 A 7 7 ILE CA C 7 65.799 65.779 0.020 1 1 80 . 17 1 1 A 7 7 ILE CB C 7 37.619 37.572 0.047 1 1 84 . 17 1 1 A 7 7 ILE N N 7 122.292 121.536 0.756 1 1 85 . 17 1 1 A 8 8 LYS H H 8 8.233 8.324 -0.091 1 1 86 . 17 1 1 A 8 8 LYS HA H 8 3.721 3.979 -0.258 1 1 95 . 17 1 1 A 8 8 LYS C C 8 179.054 178.445 0.609 1 1 96 . 17 1 1 A 8 8 LYS CA C 8 60.378 58.954 1.424 1 1 97 . 17 1 1 A 8 8 LYS CB C 8 31.990 31.886 0.104 1 1 101 . 17 1 1 A 8 8 LYS N N 8 119.853 120.486 -0.633 1 1 102 . 17 1 1 A 9 9 GLU H H 9 7.677 7.982 -0.305 1 1 103 . 17 1 1 A 9 9 GLU HA H 9 4.138 4.071 0.067 1 1 108 . 17 1 1 A 9 9 GLU C C 9 178.839 179.455 -0.616 1 1 109 . 17 1 1 A 9 9 GLU CA C 9 59.045 58.898 0.147 1 1 110 . 17 1 1 A 9 9 GLU CB C 9 28.877 29.693 -0.816 1 1 112 . 17 1 1 A 9 9 GLU N N 9 118.933 119.551 -0.618 1 1 113 . 17 1 1 A 10 10 LEU H H 10 7.996 8.228 -0.232 1 1 114 . 17 1 1 A 10 10 LEU HA H 10 4.027 4.019 0.008 1 1 124 . 17 1 1 A 10 10 LEU C C 10 179.717 179.111 0.606 1 1 125 . 17 1 1 A 10 10 LEU CA C 10 58.212 57.995 0.217 1 1 126 . 17 1 1 A 10 10 LEU CB C 10 41.994 41.643 0.351 1 1 130 . 17 1 1 A 10 10 LEU N N 10 120.361 120.705 -0.344 1 1 131 . 17 1 1 A 11 11 ILE H H 11 8.059 8.307 -0.248 1 1 132 . 17 1 1 A 11 11 ILE HA H 11 3.233 3.519 -0.286 1 1 142 . 17 1 1 A 11 11 ILE C C 11 179.525 177.873 1.652 1 1 143 . 17 1 1 A 11 11 ILE CA C 11 65.782 64.448 1.334 1 1 144 . 17 1 1 A 11 11 ILE CB C 11 37.620 37.335 0.285 1 1 148 . 17 1 1 A 11 11 ILE N N 11 118.455 119.896 -1.441 1 1 149 . 17 1 1 A 12 12 ASN H H 12 8.219 8.190 0.029 1 1 150 . 17 1 1 A 12 12 ASN HA H 12 4.355 4.491 -0.136 1 1 155 . 17 1 1 A 12 12 ASN C C 12 177.168 178.596 -1.428 1 1 156 . 17 1 1 A 12 12 ASN CA C 12 55.945 56.484 -0.539 1 1 157 . 17 1 1 A 12 12 ASN CB C 12 38.012 37.783 0.229 1 1 158 . 17 1 1 A 12 12 ASN N N 12 120.732 117.886 2.846 1 1 160 . 17 1 1 A 13 13 GLN H H 13 8.028 8.030 -0.002 1 1 161 . 17 1 1 A 13 13 GLN HA H 13 4.295 4.085 0.210 1 1 168 . 17 1 1 A 13 13 GLN C C 13 176.418 175.861 0.557 1 1 169 . 17 1 1 A 13 13 GLN CA C 13 55.821 57.928 -2.107 1 1 170 . 17 1 1 A 13 13 GLN CB C 13 28.852 29.232 -0.380 1 1 172 . 17 1 1 A 13 13 GLN N N 13 116.080 116.510 -0.430 1 1 174 . 17 1 1 A 14 14 GLY H H 14 7.853 8.260 -0.407 1 1 175 . 17 1 1 A 14 14 GLY HA2 H 14 4.337 3.997 0.340 1 1 176 . 17 1 1 A 14 14 GLY HA3 H 14 3.511 4.006 -0.495 1 1 177 . 17 1 1 A 14 14 GLY C C 14 174.233 174.080 0.153 1 1 178 . 17 1 1 A 14 14 GLY CA C 14 45.063 45.085 -0.022 1 1 179 . 17 1 1 A 14 14 GLY N N 14 107.118 106.585 0.533 1 1 180 . 17 1 1 A 15 15 ASP H H 15 8.325 7.852 0.473 1 1 181 . 17 1 1 A 15 15 ASP HA H 15 4.973 4.635 0.338 1 1 184 . 17 1 1 A 15 15 ASP C C 15 176.427 176.670 -0.243 1 1 185 . 17 1 1 A 15 15 ASP CA C 15 51.828 52.541 -0.713 1 1 186 . 17 1 1 A 15 15 ASP CB C 15 38.583 39.389 -0.806 1 1 187 . 17 1 1 A 15 15 ASP N N 15 125.524 120.683 4.841 1 1 188 . 17 1 1 A 16 16 ILE H H 16 7.615 7.833 -0.218 1 1 189 . 17 1 1 A 16 16 ILE HA H 16 3.353 3.710 -0.357 1 1 199 . 17 1 1 A 16 16 ILE C C 16 177.618 177.569 0.049 1 1 200 . 17 1 1 A 16 16 ILE CA C 16 62.996 64.841 -1.845 1 1 201 . 17 1 1 A 16 16 ILE CB C 16 35.856 37.612 -1.756 1 1 205 . 17 1 1 A 16 16 ILE N N 16 119.875 125.354 -5.479 1 1 206 . 17 1 1 A 17 17 GLU H H 17 8.844 8.240 0.604 1 1 207 . 17 1 1 A 17 17 GLU HA H 17 3.887 3.891 -0.004 1 1 212 . 17 1 1 A 17 17 GLU C C 17 179.739 179.677 0.062 1 1 213 . 17 1 1 A 17 17 GLU CA C 17 60.364 59.809 0.555 1 1 214 . 17 1 1 A 17 17 GLU CB C 17 28.670 29.293 -0.623 1 1 216 . 17 1 1 A 17 17 GLU N N 17 120.080 119.458 0.622 1 1 217 . 17 1 1 A 18 18 ASN H H 18 7.768 7.842 -0.074 1 1 218 . 17 1 1 A 18 18 ASN HA H 18 4.535 4.399 0.136 1 1 223 . 17 1 1 A 18 18 ASN C C 18 178.197 177.966 0.231 1 1 224 . 17 1 1 A 18 18 ASN CA C 18 55.682 56.322 -0.640 1 1 225 . 17 1 1 A 18 18 ASN CB C 18 37.615 37.918 -0.303 1 1 226 . 17 1 1 A 18 18 ASN N N 18 116.056 119.420 -3.364 1 1 228 . 17 1 1 A 19 19 ALA H H 19 7.989 7.802 0.187 1 1 229 . 17 1 1 A 19 19 ALA HA H 19 3.870 4.079 -0.209 1 1 233 . 17 1 1 A 19 19 ALA C C 19 178.732 179.972 -1.240 1 1 234 . 17 1 1 A 19 19 ALA CA C 19 55.543 55.102 0.441 1 1 235 . 17 1 1 A 19 19 ALA CB C 19 18.362 18.283 0.079 1 1 236 . 17 1 1 A 19 19 ALA N N 19 123.900 122.478 1.422 1 1 237 . 17 1 1 A 20 20 LEU H H 20 8.589 8.370 0.219 1 1 238 . 17 1 1 A 20 20 LEU HA H 20 3.856 3.773 0.083 1 1 248 . 17 1 1 A 20 20 LEU C C 20 179.139 179.289 -0.150 1 1 249 . 17 1 1 A 20 20 LEU CA C 20 58.169 58.068 0.101 1 1 250 . 17 1 1 A 20 20 LEU CB C 20 41.569 41.421 0.148 1 1 254 . 17 1 1 A 20 20 LEU N N 20 117.052 117.951 -0.899 1 1 255 . 17 1 1 A 21 21 GLN H H 21 7.439 8.490 -1.051 1 1 256 . 17 1 1 A 21 21 GLN HA H 21 4.029 4.009 0.020 1 1 263 . 17 1 1 A 21 21 GLN C C 21 178.411 177.788 0.623 1 1 264 . 17 1 1 A 21 21 GLN CA C 21 58.730 58.501 0.229 1 1 265 . 17 1 1 A 21 21 GLN CB C 21 28.002 27.623 0.379 1 1 267 . 17 1 1 A 21 21 GLN N N 21 118.218 117.349 0.869 1 1 269 . 17 1 1 A 22 22 ALA H H 22 7.848 7.829 0.019 1 1 270 . 17 1 1 A 22 22 ALA HA H 22 4.191 4.094 0.097 1 1 274 . 17 1 1 A 22 22 ALA C C 22 181.475 180.155 1.320 1 1 275 . 17 1 1 A 22 22 ALA CA C 22 54.631 54.756 -0.125 1 1 276 . 17 1 1 A 22 22 ALA CB C 22 17.907 18.630 -0.723 1 1 277 . 17 1 1 A 22 22 ALA N N 22 121.474 122.212 -0.738 1 1 278 . 17 1 1 A 23 23 LEU H H 23 8.751 8.137 0.614 1 1 279 . 17 1 1 A 23 23 LEU HA H 23 3.906 3.863 0.043 1 1 289 . 17 1 1 A 23 23 LEU C C 23 177.996 179.240 -1.244 1 1 290 . 17 1 1 A 23 23 LEU CA C 23 58.155 58.191 -0.036 1 1 291 . 17 1 1 A 23 23 LEU CB C 23 42.020 41.571 0.449 1 1 295 . 17 1 1 A 23 23 LEU N N 23 122.246 119.930 2.316 1 1 296 . 17 1 1 A 24 24 GLU H H 24 8.247 8.509 -0.262 1 1 297 . 17 1 1 A 24 24 GLU HA H 24 3.971 3.970 0.001 1 1 302 . 17 1 1 A 24 24 GLU C C 24 179.751 178.992 0.759 1 1 303 . 17 1 1 A 24 24 GLU CA C 24 59.506 58.794 0.712 1 1 304 . 17 1 1 A 24 24 GLU CB C 24 28.849 28.881 -0.032 1 1 306 . 17 1 1 A 24 24 GLU N N 24 119.875 117.936 1.939 1 1 307 . 17 1 1 A 25 25 GLU H H 25 7.736 7.866 -0.130 1 1 308 . 17 1 1 A 25 25 GLU HA H 25 4.013 4.078 -0.065 1 1 313 . 17 1 1 A 25 25 GLU C C 25 179.204 179.124 0.080 1 1 314 . 17 1 1 A 25 25 GLU CA C 25 59.058 59.367 -0.309 1 1 315 . 17 1 1 A 25 25 GLU CB C 25 29.238 29.483 -0.245 1 1 317 . 17 1 1 A 25 25 GLU N N 25 118.451 120.396 -1.945 1 1 318 . 17 1 1 A 26 26 PHE H H 26 8.389 8.514 -0.125 1 1 319 . 17 1 1 A 26 26 PHE HA H 26 4.218 4.086 0.132 1 1 327 . 17 1 1 A 26 26 PHE C C 26 178.732 177.229 1.503 1 1 328 . 17 1 1 A 26 26 PHE CA C 26 61.020 61.222 -0.202 1 1 329 . 17 1 1 A 26 26 PHE CB C 26 39.383 39.465 -0.082 1 1 333 . 17 1 1 A 26 26 PHE N N 26 122.243 120.874 1.369 1 1 334 . 17 1 1 A 27 27 LEU H H 27 8.643 8.422 0.221 1 1 335 . 17 1 1 A 27 27 LEU HA H 27 3.666 3.898 -0.232 1 1 345 . 17 1 1 A 27 27 LEU C C 27 179.172 179.561 -0.389 1 1 346 . 17 1 1 A 27 27 LEU CA C 27 57.728 57.746 -0.018 1 1 347 . 17 1 1 A 27 27 LEU CB C 27 42.008 41.082 0.926 1 1 351 . 17 1 1 A 27 27 LEU N N 27 119.374 119.000 0.374 1 1 352 . 17 1 1 A 28 28 GLN H H 28 7.536 7.393 0.143 1 1 353 . 17 1 1 A 28 28 GLN HA H 28 4.215 4.067 0.148 1 1 360 . 17 1 1 A 28 28 GLN C C 28 177.261 177.441 -0.180 1 1 361 . 17 1 1 A 28 28 GLN CA C 28 57.287 58.411 -1.124 1 1 362 . 17 1 1 A 28 28 GLN CB C 28 28.832 29.113 -0.281 1 1 364 . 17 1 1 A 28 28 GLN N N 28 116.095 117.137 -1.042 1 1 366 . 17 1 1 A 29 29 THR H H 29 7.480 7.434 0.046 1 1 367 . 17 1 1 A 29 29 THR HA H 29 4.332 4.261 0.071 1 1 372 . 17 1 1 A 29 29 THR C C 29 174.092 174.152 -0.060 1 1 373 . 17 1 1 A 29 29 THR CA C 29 62.533 63.849 -1.316 1 1 374 . 17 1 1 A 29 29 THR CB C 29 70.435 69.537 0.898 1 1 376 . 17 1 1 A 29 29 THR N N 29 108.609 115.083 -6.474 1 1 377 . 17 1 1 A 30 30 GLU H H 30 7.935 7.647 0.288 1 1 378 . 17 1 1 A 30 30 GLU HA H 30 4.221 4.599 -0.378 1 1 383 . 17 1 1 A 30 30 GLU CA C 30 54.719 53.813 0.906 1 1 384 . 17 1 1 A 30 30 GLU CB C 30 28.002 29.639 -1.637 1 1 386 . 17 1 1 A 30 30 GLU N N 30 119.400 119.137 0.263 1 1 387 . 17 1 1 A 31 31 PRO HA H 31 4.430 4.462 -0.032 1 1 394 . 17 1 1 A 31 31 PRO C C 31 177.447 177.534 -0.087 1 1 395 . 17 1 1 A 31 31 PRO CA C 31 62.992 64.214 -1.222 1 1 396 . 17 1 1 A 31 31 PRO CB C 31 32.354 31.846 0.508 1 1 399 . 17 1 1 A 32 32 VAL H H 32 7.989 7.831 0.158 1 1 400 . 17 1 1 A 32 32 VAL HA H 32 4.211 4.309 -0.098 1 1 408 . 17 1 1 A 32 32 VAL C C 32 176.778 177.199 -0.421 1 1 409 . 17 1 1 A 32 32 VAL CA C 32 62.755 62.929 -0.174 1 1 410 . 17 1 1 A 32 32 VAL CB C 32 32.697 32.585 0.112 1 1 412 . 17 1 1 A 32 32 VAL N N 32 118.439 116.038 2.401 1 1 413 . 17 1 1 A 33 33 GLY H H 33 8.764 7.758 1.006 1 1 414 . 17 1 1 A 33 33 GLY HA2 H 33 4.195 4.208 -0.013 1 1 415 . 17 1 1 A 33 33 GLY HA3 H 33 4.195 4.422 -0.227 1 1 416 . 17 1 1 A 33 33 GLY C C 33 176.287 175.371 0.916 1 1 417 . 17 1 1 A 33 33 GLY CA C 33 45.917 45.486 0.431 1 1 418 . 17 1 1 A 33 33 GLY N N 33 111.588 109.300 2.288 1 1 419 . 17 1 1 A 34 34 LYS H H 34 8.296 7.972 0.324 1 1 420 . 17 1 1 A 34 34 LYS HA H 34 3.839 4.106 -0.267 1 1 429 . 17 1 1 A 34 34 LYS C C 34 177.040 179.008 -1.968 1 1 430 . 17 1 1 A 34 34 LYS CA C 34 59.883 59.646 0.237 1 1 431 . 17 1 1 A 34 34 LYS CB C 34 32.883 32.241 0.642 1 1 435 . 17 1 1 A 34 34 LYS N N 34 119.887 120.630 -0.743 1 1 436 . 17 1 1 A 35 35 ASP H H 35 9.065 8.692 0.373 1 1 437 . 17 1 1 A 35 35 ASP HA H 35 4.362 4.519 -0.157 1 1 440 . 17 1 1 A 35 35 ASP C C 35 177.018 178.541 -1.523 1 1 441 . 17 1 1 A 35 35 ASP CA C 35 57.636 57.242 0.394 1 1 442 . 17 1 1 A 35 35 ASP CB C 35 41.086 40.170 0.916 1 1 443 . 17 1 1 A 35 35 ASP N N 35 115.065 118.887 -3.822 1 1 444 . 17 1 1 A 36 36 GLU H H 36 7.474 8.252 -0.778 1 1 445 . 17 1 1 A 36 36 GLU HA H 36 4.275 4.110 0.165 1 1 450 . 17 1 1 A 36 36 GLU C C 36 178.261 178.620 -0.359 1 1 451 . 17 1 1 A 36 36 GLU CA C 36 59.046 59.385 -0.339 1 1 452 . 17 1 1 A 36 36 GLU CB C 36 29.283 29.219 0.064 1 1 454 . 17 1 1 A 36 36 GLU N N 36 121.291 119.919 1.372 1 1 455 . 17 1 1 A 37 37 ALA H H 37 7.674 7.855 -0.181 1 1 456 . 17 1 1 A 37 37 ALA HA H 37 3.887 4.085 -0.198 1 1 460 . 17 1 1 A 37 37 ALA C C 37 179.161 179.656 -0.495 1 1 461 . 17 1 1 A 37 37 ALA CA C 37 55.091 55.112 -0.021 1 1 462 . 17 1 1 A 37 37 ALA CB C 37 17.925 18.060 -0.135 1 1 463 . 17 1 1 A 37 37 ALA N N 37 120.365 122.065 -1.700 1 1 464 . 17 1 1 A 38 38 TYR H H 38 8.175 8.307 -0.132 1 1 465 . 17 1 1 A 38 38 TYR HA H 38 4.422 4.380 0.042 1 1 472 . 17 1 1 A 38 38 TYR C C 38 178.497 178.367 0.130 1 1 473 . 17 1 1 A 38 38 TYR CA C 38 62.662 61.261 1.401 1 1 474 . 17 1 1 A 38 38 TYR CB C 38 37.996 37.993 0.003 1 1 477 . 17 1 1 A 38 38 TYR N N 38 117.027 116.053 0.974 1 1 478 . 17 1 1 A 39 39 TYR H H 39 8.321 8.187 0.134 1 1 479 . 17 1 1 A 39 39 TYR HA H 39 4.413 4.327 0.086 1 1 486 . 17 1 1 A 39 39 TYR C C 39 176.311 177.116 -0.805 1 1 487 . 17 1 1 A 39 39 TYR CA C 39 60.856 61.737 -0.881 1 1 488 . 17 1 1 A 39 39 TYR CB C 39 38.015 38.905 -0.890 1 1 491 . 17 1 1 A 39 39 TYR N N 39 120.527 120.978 -0.451 1 1 492 . 17 1 1 A 40 40 LEU H H 40 8.508 8.672 -0.164 1 1 493 . 17 1 1 A 40 40 LEU HA H 40 3.585 3.909 -0.324 1 1 503 . 17 1 1 A 40 40 LEU C C 40 178.857 179.231 -0.374 1 1 504 . 17 1 1 A 40 40 LEU CA C 40 57.723 57.643 0.080 1 1 505 . 17 1 1 A 40 40 LEU CB C 40 41.543 41.216 0.327 1 1 509 . 17 1 1 A 40 40 LEU N N 40 118.925 120.513 -1.588 1 1 510 . 17 1 1 A 41 41 MET H H 41 8.661 8.424 0.237 1 1 511 . 17 1 1 A 41 41 MET HA H 41 3.611 4.021 -0.410 1 1 519 . 17 1 1 A 41 41 MET C C 41 178.325 179.089 -0.764 1 1 520 . 17 1 1 A 41 41 MET CA C 41 59.498 59.173 0.325 1 1 521 . 17 1 1 A 41 41 MET CB C 41 32.806 32.743 0.063 1 1 524 . 17 1 1 A 41 41 MET N N 41 119.892 117.821 2.071 1 1 525 . 17 1 1 A 42 42 GLY H H 42 8.531 8.319 0.212 1 1 526 . 17 1 1 A 42 42 GLY HA2 H 42 3.564 3.184 0.380 1 1 527 . 17 1 1 A 42 42 GLY HA3 H 42 3.164 3.593 -0.429 1 1 528 . 17 1 1 A 42 42 GLY C C 42 174.726 176.390 -1.664 1 1 529 . 17 1 1 A 42 42 GLY CA C 42 48.104 47.019 1.085 1 1 530 . 17 1 1 A 42 42 GLY N N 42 107.064 108.720 -1.656 1 1 531 . 17 1 1 A 43 43 ASN H H 43 8.260 7.611 0.649 1 1 532 . 17 1 1 A 43 43 ASN HA H 43 4.334 4.481 -0.147 1 1 537 . 17 1 1 A 43 43 ASN C C 43 178.111 177.792 0.319 1 1 538 . 17 1 1 A 43 43 ASN CA C 43 54.966 56.168 -1.202 1 1 539 . 17 1 1 A 43 43 ASN CB C 43 36.326 37.903 -1.577 1 1 540 . 17 1 1 A 43 43 ASN N N 43 120.815 120.428 0.387 1 1 542 . 17 1 1 A 44 44 ALA H H 44 8.487 8.070 0.417 1 1 543 . 17 1 1 A 44 44 ALA HA H 44 3.788 3.966 -0.178 1 1 547 . 17 1 1 A 44 44 ALA C C 44 178.389 179.617 -1.228 1 1 548 . 17 1 1 A 44 44 ALA CA C 44 55.152 54.901 0.251 1 1 549 . 17 1 1 A 44 44 ALA CB C 44 16.897 18.232 -1.335 1 1 550 . 17 1 1 A 44 44 ALA N N 44 125.304 122.960 2.344 1 1 551 . 17 1 1 A 45 45 TYR H H 45 8.160 8.166 -0.006 1 1 552 . 17 1 1 A 45 45 TYR HA H 45 4.168 4.308 -0.140 1 1 559 . 17 1 1 A 45 45 TYR C C 45 178.775 177.985 0.790 1 1 560 . 17 1 1 A 45 45 TYR CA C 45 62.995 61.480 1.515 1 1 561 . 17 1 1 A 45 45 TYR CB C 45 36.944 37.717 -0.773 1 1 564 . 17 1 1 A 45 45 TYR N N 45 115.156 115.520 -0.364 1 1 565 . 17 1 1 A 46 46 ARG H H 46 8.901 8.161 0.740 1 1 566 . 17 1 1 A 46 46 ARG HA H 46 3.677 3.554 0.123 1 1 573 . 17 1 1 A 46 46 ARG C C 46 179.396 178.483 0.913 1 1 574 . 17 1 1 A 46 46 ARG CA C 46 59.924 59.462 0.462 1 1 575 . 17 1 1 A 46 46 ARG CB C 46 30.131 29.657 0.474 1 1 578 . 17 1 1 A 46 46 ARG N N 46 121.781 121.043 0.738 1 1 579 . 17 1 1 A 47 47 LYS H H 47 7.813 7.789 0.024 1 1 580 . 17 1 1 A 47 47 LYS HA H 47 4.058 4.129 -0.071 1 1 589 . 17 1 1 A 47 47 LYS C C 47 178.111 179.009 -0.898 1 1 590 . 17 1 1 A 47 47 LYS CA C 47 58.950 58.779 0.171 1 1 591 . 17 1 1 A 47 47 LYS CB C 47 31.906 31.861 0.045 1 1 595 . 17 1 1 A 47 47 LYS N N 47 120.818 119.229 1.589 1 1 596 . 17 1 1 A 48 48 LEU H H 48 7.312 7.424 -0.112 1 1 597 . 17 1 1 A 48 48 LEU HA H 48 4.228 4.029 0.199 1 1 607 . 17 1 1 A 48 48 LEU C C 48 177.254 176.976 0.278 1 1 608 . 17 1 1 A 48 48 LEU CA C 48 54.908 56.124 -1.216 1 1 609 . 17 1 1 A 48 48 LEU CB C 48 42.475 42.727 -0.252 1 1 613 . 17 1 1 A 48 48 LEU N N 48 116.553 116.821 -0.268 1 1 614 . 17 1 1 A 49 49 GLY H H 49 7.564 7.571 -0.007 1 1 615 . 17 1 1 A 49 49 GLY HA2 H 49 3.607 3.757 -0.150 1 1 616 . 17 1 1 A 49 49 GLY HA3 H 49 2.316 3.937 -1.621 1 1 617 . 17 1 1 A 49 49 GLY C C 49 172.900 173.416 -0.516 1 1 618 . 17 1 1 A 49 49 GLY CA C 49 44.184 44.643 -0.459 1 1 619 . 17 1 1 A 49 49 GLY N N 49 107.326 105.560 1.766 1 1 620 . 17 1 1 A 50 50 ASP H H 50 7.670 7.632 0.038 1 1 621 . 17 1 1 A 50 50 ASP HA H 50 4.564 4.721 -0.157 1 1 624 . 17 1 1 A 50 50 ASP C C 50 175.681 175.556 0.125 1 1 625 . 17 1 1 A 50 50 ASP CA C 50 51.083 52.818 -1.735 1 1 626 . 17 1 1 A 50 50 ASP CB C 50 39.169 42.195 -3.026 1 1 627 . 17 1 1 A 50 50 ASP N N 50 120.356 119.578 0.778 1 1 628 . 17 1 1 A 51 51 TRP H H 51 6.939 8.788 -1.849 1 1 629 . 17 1 1 A 51 51 TRP HA H 51 4.314 4.722 -0.408 1 1 638 . 17 1 1 A 51 51 TRP C C 51 178.047 177.914 0.133 1 1 639 . 17 1 1 A 51 51 TRP CA C 51 58.473 58.646 -0.173 1 1 640 . 17 1 1 A 51 51 TRP CB C 51 30.099 31.124 -1.025 1 1 646 . 17 1 1 A 51 51 TRP N N 51 121.784 125.639 -3.855 1 1 648 . 17 1 1 A 52 52 GLN H H 52 8.677 8.583 0.094 1 1 649 . 17 1 1 A 52 52 GLN HA H 52 3.960 4.001 -0.041 1 1 656 . 17 1 1 A 52 52 GLN C C 52 178.454 178.785 -0.331 1 1 657 . 17 1 1 A 52 52 GLN CA C 52 58.925 58.809 0.116 1 1 658 . 17 1 1 A 52 52 GLN CB C 52 28.183 28.260 -0.077 1 1 660 . 17 1 1 A 52 52 GLN N N 52 117.018 121.322 -4.304 1 1 662 . 17 1 1 A 53 53 LYS H H 53 7.392 8.514 -1.122 1 1 663 . 17 1 1 A 53 53 LYS HA H 53 3.774 3.764 0.010 1 1 672 . 17 1 1 A 53 53 LYS C C 53 180.361 178.655 1.706 1 1 673 . 17 1 1 A 53 53 LYS CA C 53 59.764 58.928 0.836 1 1 674 . 17 1 1 A 53 53 LYS CB C 53 30.802 31.578 -0.776 1 1 678 . 17 1 1 A 53 53 LYS N N 53 117.913 118.277 -0.364 1 1 679 . 17 1 1 A 54 54 ALA H H 54 8.223 7.889 0.334 1 1 680 . 17 1 1 A 54 54 ALA HA H 54 4.012 3.784 0.228 1 1 684 . 17 1 1 A 54 54 ALA C C 54 177.635 179.737 -2.102 1 1 685 . 17 1 1 A 54 54 ALA CA C 54 55.792 54.920 0.872 1 1 686 . 17 1 1 A 54 54 ALA CB C 54 17.045 18.307 -1.262 1 1 687 . 17 1 1 A 54 54 ALA N N 54 123.665 121.903 1.762 1 1 688 . 17 1 1 A 55 55 LEU H H 55 8.425 8.527 -0.102 1 1 689 . 17 1 1 A 55 55 LEU HA H 55 4.010 4.030 -0.020 1 1 699 . 17 1 1 A 55 55 LEU C C 55 179.568 179.119 0.449 1 1 700 . 17 1 1 A 55 55 LEU CA C 55 58.611 58.320 0.291 1 1 701 . 17 1 1 A 55 55 LEU CB C 55 41.500 41.603 -0.103 1 1 705 . 17 1 1 A 55 55 LEU N N 55 116.583 118.092 -1.509 1 1 706 . 17 1 1 A 56 56 ASN H H 56 8.284 8.348 -0.064 1 1 707 . 17 1 1 A 56 56 ASN HA H 56 4.360 4.405 -0.045 1 1 712 . 17 1 1 A 56 56 ASN C C 56 177.790 178.467 -0.677 1 1 713 . 17 1 1 A 56 56 ASN CA C 56 55.852 56.639 -0.787 1 1 714 . 17 1 1 A 56 56 ASN CB C 56 37.882 37.702 0.180 1 1 715 . 17 1 1 A 56 56 ASN N N 56 117.763 117.845 -0.082 1 1 717 . 17 1 1 A 57 57 ASN H H 57 7.600 7.861 -0.261 1 1 718 . 17 1 1 A 57 57 ASN HA H 57 4.425 4.562 -0.137 1 1 723 . 17 1 1 A 57 57 ASN C C 57 177.404 178.261 -0.857 1 1 724 . 17 1 1 A 57 57 ASN CA C 57 58.105 56.440 1.665 1 1 725 . 17 1 1 A 57 57 ASN CB C 57 38.931 38.400 0.531 1 1 726 . 17 1 1 A 57 57 ASN N N 57 118.927 117.492 1.435 1 1 728 . 17 1 1 A 58 58 TYR H H 58 8.838 8.356 0.482 1 1 729 . 17 1 1 A 58 58 TYR HA H 58 4.667 4.390 0.277 1 1 736 . 17 1 1 A 58 58 TYR C C 58 178.047 178.324 -0.277 1 1 737 . 17 1 1 A 58 58 TYR CA C 58 58.430 61.878 -3.448 1 1 738 . 17 1 1 A 58 58 TYR CB C 58 36.743 38.176 -1.433 1 1 741 . 17 1 1 A 58 58 TYR N N 58 118.473 119.071 -0.598 1 1 742 . 17 1 1 A 59 59 GLN H H 59 8.572 8.494 0.078 1 1 743 . 17 1 1 A 59 59 GLN HA H 59 4.022 3.974 0.048 1 1 750 . 17 1 1 A 59 59 GLN C C 59 178.040 178.122 -0.082 1 1 751 . 17 1 1 A 59 59 GLN CA C 59 59.054 58.828 0.226 1 1 752 . 17 1 1 A 59 59 GLN CB C 59 27.126 28.432 -1.306 1 1 754 . 17 1 1 A 59 59 GLN N N 59 118.483 120.254 -1.771 1 1 756 . 17 1 1 A 60 60 SER H H 60 7.696 7.912 -0.216 1 1 757 . 17 1 1 A 60 60 SER HA H 60 3.931 3.922 0.009 1 1 760 . 17 1 1 A 60 60 SER C C 60 175.926 175.993 -0.067 1 1 761 . 17 1 1 A 60 60 SER CA C 60 62.121 61.372 0.749 1 1 762 . 17 1 1 A 60 60 SER CB C 60 61.244 62.152 -0.908 1 1 763 . 17 1 1 A 60 60 SER N N 60 116.103 116.805 -0.702 1 1 764 . 17 1 1 A 61 61 ALA H H 61 7.739 7.677 0.062 1 1 765 . 17 1 1 A 61 61 ALA HA H 61 4.075 4.232 -0.157 1 1 769 . 17 1 1 A 61 61 ALA C C 61 178.686 179.879 -1.193 1 1 770 . 17 1 1 A 61 61 ALA CA C 61 56.019 55.107 0.912 1 1 771 . 17 1 1 A 61 61 ALA CB C 61 18.790 18.501 0.289 1 1 772 . 17 1 1 A 61 61 ALA N N 61 122.319 123.138 -0.819 1 1 773 . 17 1 1 A 62 62 ILE H H 62 7.991 7.865 0.126 1 1 774 . 17 1 1 A 62 62 ILE HA H 62 3.857 3.577 0.280 1 1 784 . 17 1 1 A 62 62 ILE C C 62 178.131 177.941 0.190 1 1 785 . 17 1 1 A 62 62 ILE CA C 62 63.418 65.187 -1.769 1 1 786 . 17 1 1 A 62 62 ILE CB C 62 39.119 37.465 1.654 1 1 790 . 17 1 1 A 62 62 ILE N N 62 117.981 118.728 -0.747 1 1 791 . 17 1 1 A 63 63 GLU H H 63 7.988 8.467 -0.479 1 1 792 . 17 1 1 A 63 63 GLU HA H 63 3.902 4.057 -0.155 1 1 797 . 17 1 1 A 63 63 GLU C C 63 178.564 178.071 0.493 1 1 798 . 17 1 1 A 63 63 GLU CA C 63 58.594 59.442 -0.848 1 1 799 . 17 1 1 A 63 63 GLU CB C 63 29.278 29.461 -0.183 1 1 801 . 17 1 1 A 63 63 GLU N N 63 118.190 119.922 -1.732 1 1 802 . 17 1 1 A 64 64 LEU H H 64 7.024 7.396 -0.372 1 1 803 . 17 1 1 A 64 64 LEU HA H 64 4.347 4.286 0.061 1 1 813 . 17 1 1 A 64 64 LEU C C 64 177.496 176.211 1.285 1 1 814 . 17 1 1 A 64 64 LEU CA C 64 55.810 56.485 -0.675 1 1 815 . 17 1 1 A 64 64 LEU CB C 64 43.746 43.392 0.354 1 1 819 . 17 1 1 A 64 64 LEU N N 64 116.109 118.617 -2.508 1 1 820 . 17 1 1 A 65 65 ASN H H 65 8.270 8.199 0.071 1 1 821 . 17 1 1 A 65 65 ASN HA H 65 5.068 5.130 -0.062 1 1 826 . 17 1 1 A 65 65 ASN C C 65 172.512 173.948 -1.436 1 1 827 . 17 1 1 A 65 65 ASN CA C 65 49.457 49.650 -0.193 1 1 828 . 17 1 1 A 65 65 ASN CB C 65 38.936 39.776 -0.840 1 1 829 . 17 1 1 A 65 65 ASN N N 65 116.544 118.081 -1.537 1 1 831 . 17 1 1 A 66 66 PRO HA H 66 4.467 4.485 -0.018 1 1 838 . 17 1 1 A 66 66 PRO C C 66 176.054 177.250 -1.196 1 1 839 . 17 1 1 A 66 66 PRO CA C 66 63.894 64.107 -0.213 1 1 840 . 17 1 1 A 66 66 PRO CB C 66 31.935 31.717 0.218 1 1 843 . 17 1 1 A 67 67 ASP H H 67 7.326 8.266 -0.940 1 1 844 . 17 1 1 A 67 67 ASP HA H 67 4.863 4.686 0.177 1 1 847 . 17 1 1 A 67 67 ASP C C 67 175.647 175.969 -0.322 1 1 848 . 17 1 1 A 67 67 ASP CA C 67 53.273 54.187 -0.914 1 1 849 . 17 1 1 A 67 67 ASP CB C 67 41.453 41.370 0.083 1 1 850 . 17 1 1 A 67 67 ASP N N 67 114.579 117.884 -3.305 1 1 851 . 17 1 1 A 68 68 SER H H 68 7.670 7.519 0.151 1 1 852 . 17 1 1 A 68 68 SER HA H 68 4.315 4.519 -0.204 1 1 856 . 17 1 1 A 68 68 SER C C 68 175.108 174.720 0.388 1 1 857 . 17 1 1 A 68 68 SER CA C 68 56.422 56.216 0.206 1 1 858 . 17 1 1 A 68 68 SER CB C 68 63.880 63.822 0.058 1 1 859 . 17 1 1 A 68 68 SER N N 68 115.624 117.474 -1.850 1 1 860 . 17 1 1 A 69 69 PRO HA H 69 4.588 4.480 0.108 1 1 867 . 17 1 1 A 69 69 PRO C C 69 177.083 177.218 -0.135 1 1 868 . 17 1 1 A 69 69 PRO CA C 69 63.870 64.014 -0.144 1 1 869 . 17 1 1 A 69 69 PRO CB C 69 30.612 31.562 -0.950 1 1 872 . 17 1 1 A 70 70 ALA H H 70 8.442 8.016 0.426 1 1 873 . 17 1 1 A 70 70 ALA HA H 70 3.679 4.236 -0.557 1 1 877 . 17 1 1 A 70 70 ALA C C 70 177.667 179.708 -2.041 1 1 878 . 17 1 1 A 70 70 ALA CA C 70 54.025 54.351 -0.326 1 1 879 . 17 1 1 A 70 70 ALA CB C 70 20.741 18.890 1.851 1 1 880 . 17 1 1 A 70 70 ALA N N 70 121.749 121.579 0.170 1 1 881 . 17 1 1 A 71 71 LEU H H 71 7.956 7.675 0.281 1 1 882 . 17 1 1 A 71 71 LEU HA H 71 3.883 3.887 -0.004 1 1 892 . 17 1 1 A 71 71 LEU C C 71 179.241 179.286 -0.045 1 1 893 . 17 1 1 A 71 71 LEU CA C 71 58.602 58.135 0.467 1 1 894 . 17 1 1 A 71 71 LEU CB C 71 41.987 41.529 0.458 1 1 898 . 17 1 1 A 71 71 LEU N N 71 119.448 118.967 0.481 1 1 899 . 17 1 1 A 72 72 GLN H H 72 7.464 7.897 -0.433 1 1 900 . 17 1 1 A 72 72 GLN HA H 72 4.049 4.119 -0.070 1 1 907 . 17 1 1 A 72 72 GLN C C 72 178.432 178.301 0.131 1 1 908 . 17 1 1 A 72 72 GLN CA C 72 58.626 58.965 -0.339 1 1 909 . 17 1 1 A 72 72 GLN CB C 72 27.557 28.435 -0.878 1 1 911 . 17 1 1 A 72 72 GLN N N 72 117.976 118.218 -0.242 1 1 913 . 17 1 1 A 73 73 ALA H H 73 7.296 7.661 -0.365 1 1 914 . 17 1 1 A 73 73 ALA HA H 73 4.017 3.952 0.065 1 1 918 . 17 1 1 A 73 73 ALA C C 73 178.775 179.234 -0.459 1 1 919 . 17 1 1 A 73 73 ALA CA C 73 54.688 54.905 -0.217 1 1 920 . 17 1 1 A 73 73 ALA CB C 73 17.473 17.734 -0.261 1 1 921 . 17 1 1 A 73 73 ALA N N 73 123.083 122.902 0.181 1 1 922 . 17 1 1 A 74 74 ARG H H 74 8.328 8.009 0.319 1 1 923 . 17 1 1 A 74 74 ARG HA H 74 3.820 4.222 -0.402 1 1 931 . 17 1 1 A 74 74 ARG C C 74 177.297 178.834 -1.537 1 1 932 . 17 1 1 A 74 74 ARG CA C 74 59.805 59.479 0.326 1 1 933 . 17 1 1 A 74 74 ARG CB C 74 29.773 29.983 -0.210 1 1 936 . 17 1 1 A 74 74 ARG N N 74 117.535 118.244 -0.709 1 1 938 . 17 1 1 A 75 75 LYS H H 75 7.123 7.830 -0.707 1 1 939 . 17 1 1 A 75 75 LYS HA H 75 3.960 4.131 -0.171 1 1 948 . 17 1 1 A 75 75 LYS C C 75 178.071 178.778 -0.707 1 1 949 . 17 1 1 A 75 75 LYS CA C 75 59.488 59.182 0.306 1 1 950 . 17 1 1 A 75 75 LYS CB C 75 31.928 31.728 0.200 1 1 954 . 17 1 1 A 75 75 LYS N N 75 119.136 118.195 0.941 1 1 955 . 17 1 1 A 76 76 MET H H 76 7.673 7.905 -0.232 1 1 956 . 17 1 1 A 76 76 MET HA H 76 4.205 4.183 0.022 1 1 964 . 17 1 1 A 76 76 MET C C 76 178.925 178.231 0.694 1 1 965 . 17 1 1 A 76 76 MET CA C 76 58.637 58.836 -0.199 1 1 966 . 17 1 1 A 76 76 MET CB C 76 32.344 32.369 -0.025 1 1 969 . 17 1 1 A 76 76 MET N N 76 116.794 119.575 -2.781 1 1 970 . 17 1 1 A 77 77 VAL H H 77 7.928 8.247 -0.319 1 1 971 . 17 1 1 A 77 77 VAL HA H 77 3.601 3.556 0.045 1 1 979 . 17 1 1 A 77 77 VAL C C 77 177.318 178.455 -1.137 1 1 980 . 17 1 1 A 77 77 VAL CA C 77 66.468 66.789 -0.321 1 1 981 . 17 1 1 A 77 77 VAL CB C 77 31.477 31.617 -0.140 1 1 984 . 17 1 1 A 77 77 VAL N N 77 117.999 118.997 -0.998 1 1 985 . 17 1 1 A 78 78 MET H H 78 8.446 8.195 0.251 1 1 986 . 17 1 1 A 78 78 MET HA H 78 4.136 4.257 -0.121 1 1 994 . 17 1 1 A 78 78 MET C C 78 178.542 178.034 0.508 1 1 995 . 17 1 1 A 78 78 MET CA C 78 58.514 58.686 -0.172 1 1 996 . 17 1 1 A 78 78 MET CB C 78 31.036 32.657 -1.621 1 1 999 . 17 1 1 A 78 78 MET N N 78 119.079 117.626 1.453 1 1 1000 . 17 1 1 A 79 79 ASP H H 79 8.202 8.240 -0.038 1 1 1001 . 17 1 1 A 79 79 ASP HA H 79 4.419 4.491 -0.072 1 1 1004 . 17 1 1 A 79 79 ASP C C 79 179.097 178.568 0.529 1 1 1005 . 17 1 1 A 79 79 ASP CA C 79 57.277 57.582 -0.305 1 1 1006 . 17 1 1 A 79 79 ASP CB C 79 39.813 41.377 -1.564 1 1 1007 . 17 1 1 A 79 79 ASP N N 79 119.422 120.344 -0.922 1 1 1008 . 17 1 1 A 80 80 ILE H H 80 7.625 8.062 -0.437 1 1 1009 . 17 1 1 A 80 80 ILE HA H 80 3.643 3.587 0.056 1 1 1019 . 17 1 1 A 80 80 ILE C C 80 178.024 178.561 -0.537 1 1 1020 . 17 1 1 A 80 80 ILE CA C 80 64.717 65.479 -0.762 1 1 1021 . 17 1 1 A 80 80 ILE CB C 80 37.661 37.608 0.053 1 1 1025 . 17 1 1 A 80 80 ILE N N 80 121.750 119.042 2.708 1 1 1026 . 17 1 1 A 81 81 LEU H H 81 8.071 8.572 -0.501 1 1 1027 . 17 1 1 A 81 81 LEU HA H 81 3.908 3.874 0.034 1 1 1037 . 17 1 1 A 81 81 LEU C C 81 178.852 179.400 -0.548 1 1 1038 . 17 1 1 A 81 81 LEU CA C 81 57.329 58.082 -0.753 1 1 1039 . 17 1 1 A 81 81 LEU CB C 81 41.544 40.631 0.913 1 1 1043 . 17 1 1 A 81 81 LEU N N 81 119.850 119.211 0.639 1 1 1044 . 17 1 1 A 82 82 ASN H H 82 8.188 7.813 0.375 1 1 1045 . 17 1 1 A 82 82 ASN HA H 82 4.417 4.063 0.354 1 1 1050 . 17 1 1 A 82 82 ASN C C 82 176.440 177.776 -1.336 1 1 1051 . 17 1 1 A 82 82 ASN CA C 82 55.011 56.044 -1.033 1 1 1052 . 17 1 1 A 82 82 ASN CB C 82 38.461 38.290 0.171 1 1 1053 . 17 1 1 A 82 82 ASN N N 82 116.186 117.742 -1.556 1 1 1055 . 17 1 1 A 83 83 PHE H H 83 7.779 7.646 0.133 1 1 1056 . 17 1 1 A 83 83 PHE HA H 83 4.352 4.174 0.178 1 1 1064 . 17 1 1 A 83 83 PHE C C 83 176.767 177.491 -0.724 1 1 1065 . 17 1 1 A 83 83 PHE CA C 83 59.557 60.916 -1.359 1 1 1066 . 17 1 1 A 83 83 PHE CB C 83 38.944 38.491 0.453 1 1 1070 . 17 1 1 A 83 83 PHE N N 83 118.925 118.196 0.729 1 1 1071 . 17 1 1 A 84 84 TYR H H 84 8.057 8.346 -0.289 1 1 1072 . 17 1 1 A 84 84 TYR HA H 84 4.388 4.420 -0.032 1 1 1079 . 17 1 1 A 84 84 TYR C C 84 176.233 175.964 0.269 1 1 1080 . 17 1 1 A 84 84 TYR CA C 84 59.261 60.660 -1.399 1 1 1081 . 17 1 1 A 84 84 TYR CB C 84 38.503 38.807 -0.304 1 1 1084 . 17 1 1 A 84 84 TYR N N 84 118.223 118.182 0.041 1 1 1085 . 17 1 1 A 85 85 ASN H H 85 8.192 8.171 0.021 1 1 1086 . 17 1 1 A 85 85 ASN HA H 85 4.679 5.073 -0.394 1 1 1091 . 17 1 1 A 85 85 ASN C C 85 175.367 175.227 0.140 1 1 1092 . 17 1 1 A 85 85 ASN CA C 85 53.261 52.117 1.144 1 1 1093 . 17 1 1 A 85 85 ASN CB C 85 38.501 41.724 -3.223 1 1 1094 . 17 1 1 A 85 85 ASN N N 85 118.935 112.707 6.228 1 1 1096 . 17 1 1 A 86 86 LYS H H 86 8.151 8.743 -0.592 1 1 1097 . 17 1 1 A 86 86 LYS HA H 86 4.151 4.301 -0.150 1 1 1106 . 17 1 1 A 86 86 LYS C C 86 176.981 177.890 -0.909 1 1 1107 . 17 1 1 A 86 86 LYS CA C 86 57.714 58.602 -0.888 1 1 1108 . 17 1 1 A 86 86 LYS CB C 86 32.368 32.449 -0.081 1 1 1112 . 17 1 1 A 86 86 LYS N N 86 121.533 122.451 -0.918 1 1 1113 . 17 1 1 A 87 87 ASP H H 87 8.269 8.212 0.057 1 1 1114 . 17 1 1 A 87 87 ASP HA H 87 4.553 4.400 0.153 1 1 1117 . 17 1 1 A 87 87 ASP C C 87 177.209 178.596 -1.387 1 1 1118 . 17 1 1 A 87 87 ASP CA C 87 55.538 57.447 -1.909 1 1 1119 . 17 1 1 A 87 87 ASP CB C 87 40.677 40.665 0.012 1 1 1120 . 17 1 1 A 87 87 ASP N N 87 119.408 119.257 0.151 1 1 1121 . 17 1 1 A 88 88 MET H H 88 7.941 8.292 -0.351 1 1 1122 . 17 1 1 A 88 88 MET HA H 88 4.257 4.132 0.125 1 1 1130 . 17 1 1 A 88 88 MET C C 88 176.851 177.813 -0.962 1 1 1131 . 17 1 1 A 88 88 MET CA C 88 56.461 58.750 -2.289 1 1 1132 . 17 1 1 A 88 88 MET CB C 88 32.371 32.221 0.150 1 1 1135 . 17 1 1 A 88 88 MET N N 88 119.377 119.515 -0.138 1 1 1136 . 17 1 1 A 89 89 TYR H H 89 8.094 7.922 0.172 1 1 1137 . 17 1 1 A 89 89 TYR HA H 89 4.350 4.170 0.180 1 1 1144 . 17 1 1 A 89 89 TYR C C 89 176.252 177.132 -0.880 1 1 1145 . 17 1 1 A 89 89 TYR CA C 89 59.097 60.285 -1.188 1 1 1146 . 17 1 1 A 89 89 TYR CB C 89 38.051 38.938 -0.887 1 1 1149 . 17 1 1 A 89 89 TYR N N 89 119.418 120.898 -1.480 1 1 1150 . 17 1 1 A 90 90 ASN H H 90 8.244 7.951 0.293 1 1 1151 . 17 1 1 A 90 90 ASN HA H 90 4.573 4.860 -0.287 1 1 1156 . 17 1 1 A 90 90 ASN C C 90 175.907 177.511 -1.604 1 1 1157 . 17 1 1 A 90 90 ASN CA C 90 53.867 52.920 0.947 1 1 1158 . 17 1 1 A 90 90 ASN CB C 90 38.479 39.683 -1.204 1 1 1159 . 17 1 1 A 90 90 ASN N N 90 118.918 115.203 3.715 1 1 1161 . 17 1 1 A 91 91 GLN H H 91 8.176 7.739 0.437 1 1 1162 . 17 1 1 A 91 91 GLN HA H 91 4.216 4.126 0.090 1 1 1169 . 17 1 1 A 91 91 GLN C C 91 176.568 177.973 -1.405 1 1 1170 . 17 1 1 A 91 91 GLN CA C 91 56.600 58.241 -1.641 1 1 1171 . 17 1 1 A 91 91 GLN CB C 91 28.859 28.584 0.275 1 1 1173 . 17 1 1 A 91 91 GLN N N 91 119.648 119.525 0.123 1 1 1175 . 17 1 1 A 92 92 LEU H H 92 8.015 8.060 -0.045 1 1 1176 . 17 1 1 A 92 92 LEU HA H 92 4.214 4.109 0.105 1 1 1186 . 17 1 1 A 92 92 LEU C C 92 177.661 176.732 0.929 1 1 1187 . 17 1 1 A 92 92 LEU CA C 92 55.550 57.802 -2.252 1 1 1188 . 17 1 1 A 92 92 LEU CB C 92 41.994 41.709 0.285 1 1 1192 . 17 1 1 A 92 92 LEU N N 92 121.059 116.787 4.272 1 1 1193 . 17 1 1 A 93 93 GLU H H 93 8.132 7.737 0.395 1 1 1194 . 17 1 1 A 93 93 GLU HA H 93 4.099 4.377 -0.278 1 1 1199 . 17 1 1 A 93 93 GLU C C 93 176.461 174.432 2.029 1 1 1200 . 17 1 1 A 93 93 GLU CA C 93 56.838 54.811 2.027 1 1 1201 . 17 1 1 A 93 93 GLU CB C 93 29.803 29.602 0.201 1 1 1203 . 17 1 1 A 93 93 GLU N N 93 119.896 119.190 0.706 1 1 1204 . 17 1 1 A 94 94 HIS H H 94 8.134 8.290 -0.156 1 1 1205 . 17 1 1 A 94 94 HIS C C 94 174.994 174.805 0.189 1 1 1206 . 17 1 1 A 94 94 HIS CA C 94 56.075 55.897 0.178 1 1 1207 . 17 1 1 A 94 94 HIS CB C 94 29.997 30.099 -0.102 1 1 1 . 18 1 1 A 2 2 ASP HA H 2 4.708 5.396 -0.688 1 1 4 . 18 1 1 A 2 2 ASP C C 2 176.847 176.226 0.621 1 1 5 . 18 1 1 A 2 2 ASP CA C 2 53.800 53.049 0.751 1 1 6 . 18 1 1 A 2 2 ASP CB C 2 40.922 43.278 -2.356 1 1 7 . 18 1 1 A 3 3 GLN H H 3 9.117 9.058 0.059 1 1 8 . 18 1 1 A 3 3 GLN HA H 3 4.139 4.079 0.060 1 1 15 . 18 1 1 A 3 3 GLN C C 3 177.725 177.665 0.060 1 1 16 . 18 1 1 A 3 3 GLN CA C 3 58.612 58.034 0.578 1 1 17 . 18 1 1 A 3 3 GLN CB C 3 28.880 28.055 0.825 1 1 19 . 18 1 1 A 3 3 GLN N N 3 124.129 124.047 0.082 1 1 21 . 18 1 1 A 4 4 LEU H H 4 8.285 7.771 0.514 1 1 22 . 18 1 1 A 4 4 LEU HA H 4 3.947 3.838 0.109 1 1 32 . 18 1 1 A 4 4 LEU C C 4 178.111 179.029 -0.918 1 1 33 . 18 1 1 A 4 4 LEU CA C 4 56.421 57.819 -1.398 1 1 34 . 18 1 1 A 4 4 LEU CB C 4 40.690 40.788 -0.098 1 1 38 . 18 1 1 A 4 4 LEU N N 4 117.977 121.481 -3.504 1 1 39 . 18 1 1 A 5 5 LYS H H 5 7.624 8.176 -0.552 1 1 40 . 18 1 1 A 5 5 LYS HA H 5 3.837 3.966 -0.129 1 1 49 . 18 1 1 A 5 5 LYS C C 5 178.775 178.787 -0.012 1 1 50 . 18 1 1 A 5 5 LYS CA C 5 59.939 59.843 0.096 1 1 51 . 18 1 1 A 5 5 LYS CB C 5 32.344 32.103 0.241 1 1 55 . 18 1 1 A 5 5 LYS N N 5 121.000 120.756 0.244 1 1 56 . 18 1 1 A 6 6 THR H H 6 7.852 7.698 0.154 1 1 57 . 18 1 1 A 6 6 THR HA H 6 3.908 3.934 -0.026 1 1 62 . 18 1 1 A 6 6 THR C C 6 176.483 176.313 0.170 1 1 63 . 18 1 1 A 6 6 THR CA C 6 66.062 66.911 -0.849 1 1 64 . 18 1 1 A 6 6 THR CB C 6 68.255 68.022 0.233 1 1 66 . 18 1 1 A 6 6 THR N N 6 115.606 116.242 -0.636 1 1 67 . 18 1 1 A 7 7 ILE H H 7 7.791 7.867 -0.076 1 1 68 . 18 1 1 A 7 7 ILE HA H 7 3.422 3.551 -0.129 1 1 78 . 18 1 1 A 7 7 ILE C C 7 177.219 177.581 -0.362 1 1 79 . 18 1 1 A 7 7 ILE CA C 7 65.799 64.517 1.282 1 1 80 . 18 1 1 A 7 7 ILE CB C 7 37.619 37.110 0.509 1 1 84 . 18 1 1 A 7 7 ILE N N 7 122.292 121.476 0.816 1 1 85 . 18 1 1 A 8 8 LYS H H 8 8.233 8.317 -0.084 1 1 86 . 18 1 1 A 8 8 LYS HA H 8 3.721 3.933 -0.212 1 1 95 . 18 1 1 A 8 8 LYS C C 8 179.054 179.971 -0.917 1 1 96 . 18 1 1 A 8 8 LYS CA C 8 60.378 59.908 0.470 1 1 97 . 18 1 1 A 8 8 LYS CB C 8 31.990 32.068 -0.078 1 1 101 . 18 1 1 A 8 8 LYS N N 8 119.853 118.587 1.266 1 1 102 . 18 1 1 A 9 9 GLU H H 9 7.677 8.080 -0.403 1 1 103 . 18 1 1 A 9 9 GLU HA H 9 4.138 4.036 0.102 1 1 108 . 18 1 1 A 9 9 GLU C C 9 178.839 179.380 -0.541 1 1 109 . 18 1 1 A 9 9 GLU CA C 9 59.045 58.994 0.051 1 1 110 . 18 1 1 A 9 9 GLU CB C 9 28.877 29.576 -0.699 1 1 112 . 18 1 1 A 9 9 GLU N N 9 118.933 120.461 -1.528 1 1 113 . 18 1 1 A 10 10 LEU H H 10 7.996 8.359 -0.363 1 1 114 . 18 1 1 A 10 10 LEU HA H 10 4.027 4.023 0.004 1 1 124 . 18 1 1 A 10 10 LEU C C 10 179.717 179.039 0.678 1 1 125 . 18 1 1 A 10 10 LEU CA C 10 58.212 58.097 0.115 1 1 126 . 18 1 1 A 10 10 LEU CB C 10 41.994 41.893 0.101 1 1 130 . 18 1 1 A 10 10 LEU N N 10 120.361 120.914 -0.553 1 1 131 . 18 1 1 A 11 11 ILE H H 11 8.059 8.320 -0.261 1 1 132 . 18 1 1 A 11 11 ILE HA H 11 3.233 3.467 -0.234 1 1 142 . 18 1 1 A 11 11 ILE C C 11 179.525 178.107 1.418 1 1 143 . 18 1 1 A 11 11 ILE CA C 11 65.782 65.092 0.690 1 1 144 . 18 1 1 A 11 11 ILE CB C 11 37.620 37.843 -0.223 1 1 148 . 18 1 1 A 11 11 ILE N N 11 118.455 119.508 -1.053 1 1 149 . 18 1 1 A 12 12 ASN H H 12 8.219 7.867 0.352 1 1 150 . 18 1 1 A 12 12 ASN HA H 12 4.355 4.486 -0.131 1 1 155 . 18 1 1 A 12 12 ASN C C 12 177.168 178.597 -1.429 1 1 156 . 18 1 1 A 12 12 ASN CA C 12 55.945 56.134 -0.189 1 1 157 . 18 1 1 A 12 12 ASN CB C 12 38.012 37.766 0.246 1 1 158 . 18 1 1 A 12 12 ASN N N 12 120.732 117.366 3.366 1 1 160 . 18 1 1 A 13 13 GLN H H 13 8.028 7.693 0.335 1 1 161 . 18 1 1 A 13 13 GLN HA H 13 4.295 4.219 0.076 1 1 168 . 18 1 1 A 13 13 GLN C C 13 176.418 175.869 0.549 1 1 169 . 18 1 1 A 13 13 GLN CA C 13 55.821 56.409 -0.588 1 1 170 . 18 1 1 A 13 13 GLN CB C 13 28.852 28.987 -0.135 1 1 172 . 18 1 1 A 13 13 GLN N N 13 116.080 116.432 -0.352 1 1 174 . 18 1 1 A 14 14 GLY H H 14 7.853 7.995 -0.142 1 1 175 . 18 1 1 A 14 14 GLY HA2 H 14 4.337 4.002 0.335 1 1 176 . 18 1 1 A 14 14 GLY HA3 H 14 3.511 4.008 -0.497 1 1 177 . 18 1 1 A 14 14 GLY C C 14 174.233 174.673 -0.440 1 1 178 . 18 1 1 A 14 14 GLY CA C 14 45.063 44.946 0.117 1 1 179 . 18 1 1 A 14 14 GLY N N 14 107.118 106.368 0.750 1 1 180 . 18 1 1 A 15 15 ASP H H 15 8.325 8.078 0.247 1 1 181 . 18 1 1 A 15 15 ASP HA H 15 4.973 4.816 0.157 1 1 184 . 18 1 1 A 15 15 ASP C C 15 176.427 176.211 0.216 1 1 185 . 18 1 1 A 15 15 ASP CA C 15 51.828 53.290 -1.462 1 1 186 . 18 1 1 A 15 15 ASP CB C 15 38.583 38.887 -0.304 1 1 187 . 18 1 1 A 15 15 ASP N N 15 125.524 121.082 4.442 1 1 188 . 18 1 1 A 16 16 ILE H H 16 7.615 8.186 -0.571 1 1 189 . 18 1 1 A 16 16 ILE HA H 16 3.353 3.610 -0.257 1 1 199 . 18 1 1 A 16 16 ILE C C 16 177.618 177.566 0.052 1 1 200 . 18 1 1 A 16 16 ILE CA C 16 62.996 65.190 -2.194 1 1 201 . 18 1 1 A 16 16 ILE CB C 16 35.856 37.784 -1.928 1 1 205 . 18 1 1 A 16 16 ILE N N 16 119.875 121.350 -1.475 1 1 206 . 18 1 1 A 17 17 GLU H H 17 8.844 8.057 0.787 1 1 207 . 18 1 1 A 17 17 GLU HA H 17 3.887 3.918 -0.031 1 1 212 . 18 1 1 A 17 17 GLU C C 17 179.739 179.613 0.126 1 1 213 . 18 1 1 A 17 17 GLU CA C 17 60.364 59.702 0.662 1 1 214 . 18 1 1 A 17 17 GLU CB C 17 28.670 29.351 -0.681 1 1 216 . 18 1 1 A 17 17 GLU N N 17 120.080 119.241 0.839 1 1 217 . 18 1 1 A 18 18 ASN H H 18 7.768 7.939 -0.171 1 1 218 . 18 1 1 A 18 18 ASN HA H 18 4.535 4.461 0.074 1 1 223 . 18 1 1 A 18 18 ASN C C 18 178.197 177.762 0.435 1 1 224 . 18 1 1 A 18 18 ASN CA C 18 55.682 56.820 -1.138 1 1 225 . 18 1 1 A 18 18 ASN CB C 18 37.615 38.645 -1.030 1 1 226 . 18 1 1 A 18 18 ASN N N 18 116.056 118.434 -2.378 1 1 228 . 18 1 1 A 19 19 ALA H H 19 7.989 7.947 0.042 1 1 229 . 18 1 1 A 19 19 ALA HA H 19 3.870 4.003 -0.133 1 1 233 . 18 1 1 A 19 19 ALA C C 19 178.732 179.800 -1.068 1 1 234 . 18 1 1 A 19 19 ALA CA C 19 55.543 55.067 0.476 1 1 235 . 18 1 1 A 19 19 ALA CB C 19 18.362 18.364 -0.002 1 1 236 . 18 1 1 A 19 19 ALA N N 19 123.900 123.594 0.306 1 1 237 . 18 1 1 A 20 20 LEU H H 20 8.589 8.484 0.105 1 1 238 . 18 1 1 A 20 20 LEU HA H 20 3.856 3.762 0.094 1 1 248 . 18 1 1 A 20 20 LEU C C 20 179.139 179.623 -0.484 1 1 249 . 18 1 1 A 20 20 LEU CA C 20 58.169 58.053 0.116 1 1 250 . 18 1 1 A 20 20 LEU CB C 20 41.569 41.475 0.094 1 1 254 . 18 1 1 A 20 20 LEU N N 20 117.052 118.355 -1.303 1 1 255 . 18 1 1 A 21 21 GLN H H 21 7.439 8.129 -0.690 1 1 256 . 18 1 1 A 21 21 GLN HA H 21 4.029 4.506 -0.477 1 1 263 . 18 1 1 A 21 21 GLN C C 21 178.411 177.870 0.541 1 1 264 . 18 1 1 A 21 21 GLN CA C 21 58.730 58.530 0.200 1 1 265 . 18 1 1 A 21 21 GLN CB C 21 28.002 27.745 0.257 1 1 267 . 18 1 1 A 21 21 GLN N N 21 118.218 117.323 0.895 1 1 269 . 18 1 1 A 22 22 ALA H H 22 7.848 7.756 0.092 1 1 270 . 18 1 1 A 22 22 ALA HA H 22 4.191 4.112 0.079 1 1 274 . 18 1 1 A 22 22 ALA C C 22 181.475 180.078 1.397 1 1 275 . 18 1 1 A 22 22 ALA CA C 22 54.631 54.802 -0.171 1 1 276 . 18 1 1 A 22 22 ALA CB C 22 17.907 18.413 -0.506 1 1 277 . 18 1 1 A 22 22 ALA N N 22 121.474 122.380 -0.906 1 1 278 . 18 1 1 A 23 23 LEU H H 23 8.751 8.294 0.457 1 1 279 . 18 1 1 A 23 23 LEU HA H 23 3.906 3.979 -0.073 1 1 289 . 18 1 1 A 23 23 LEU C C 23 177.996 179.149 -1.153 1 1 290 . 18 1 1 A 23 23 LEU CA C 23 58.155 57.843 0.312 1 1 291 . 18 1 1 A 23 23 LEU CB C 23 42.020 41.249 0.771 1 1 295 . 18 1 1 A 23 23 LEU N N 23 122.246 120.767 1.479 1 1 296 . 18 1 1 A 24 24 GLU H H 24 8.247 8.169 0.078 1 1 297 . 18 1 1 A 24 24 GLU HA H 24 3.971 3.881 0.090 1 1 302 . 18 1 1 A 24 24 GLU C C 24 179.751 179.285 0.466 1 1 303 . 18 1 1 A 24 24 GLU CA C 24 59.506 60.065 -0.559 1 1 304 . 18 1 1 A 24 24 GLU CB C 24 28.849 29.431 -0.582 1 1 306 . 18 1 1 A 24 24 GLU N N 24 119.875 117.924 1.951 1 1 307 . 18 1 1 A 25 25 GLU H H 25 7.736 8.172 -0.436 1 1 308 . 18 1 1 A 25 25 GLU HA H 25 4.013 4.053 -0.040 1 1 313 . 18 1 1 A 25 25 GLU C C 25 179.204 178.777 0.427 1 1 314 . 18 1 1 A 25 25 GLU CA C 25 59.058 59.514 -0.456 1 1 315 . 18 1 1 A 25 25 GLU CB C 25 29.238 29.707 -0.469 1 1 317 . 18 1 1 A 25 25 GLU N N 25 118.451 119.942 -1.491 1 1 318 . 18 1 1 A 26 26 PHE H H 26 8.389 8.121 0.268 1 1 319 . 18 1 1 A 26 26 PHE HA H 26 4.218 4.060 0.158 1 1 327 . 18 1 1 A 26 26 PHE C C 26 178.732 177.219 1.513 1 1 328 . 18 1 1 A 26 26 PHE CA C 26 61.020 61.188 -0.168 1 1 329 . 18 1 1 A 26 26 PHE CB C 26 39.383 39.324 0.059 1 1 333 . 18 1 1 A 26 26 PHE N N 26 122.243 120.596 1.647 1 1 334 . 18 1 1 A 27 27 LEU H H 27 8.643 8.738 -0.095 1 1 335 . 18 1 1 A 27 27 LEU HA H 27 3.666 3.907 -0.241 1 1 345 . 18 1 1 A 27 27 LEU C C 27 179.172 178.295 0.877 1 1 346 . 18 1 1 A 27 27 LEU CA C 27 57.728 57.769 -0.041 1 1 347 . 18 1 1 A 27 27 LEU CB C 27 42.008 41.367 0.641 1 1 351 . 18 1 1 A 27 27 LEU N N 27 119.374 119.024 0.350 1 1 352 . 18 1 1 A 28 28 GLN H H 28 7.536 7.607 -0.071 1 1 353 . 18 1 1 A 28 28 GLN HA H 28 4.215 4.176 0.039 1 1 360 . 18 1 1 A 28 28 GLN C C 28 177.261 176.525 0.736 1 1 361 . 18 1 1 A 28 28 GLN CA C 28 57.287 57.544 -0.257 1 1 362 . 18 1 1 A 28 28 GLN CB C 28 28.832 29.253 -0.421 1 1 364 . 18 1 1 A 28 28 GLN N N 28 116.095 116.518 -0.423 1 1 366 . 18 1 1 A 29 29 THR H H 29 7.480 7.721 -0.241 1 1 367 . 18 1 1 A 29 29 THR HA H 29 4.332 4.395 -0.063 1 1 372 . 18 1 1 A 29 29 THR C C 29 174.092 174.038 0.054 1 1 373 . 18 1 1 A 29 29 THR CA C 29 62.533 63.451 -0.918 1 1 374 . 18 1 1 A 29 29 THR CB C 29 70.435 70.079 0.356 1 1 376 . 18 1 1 A 29 29 THR N N 29 108.609 113.471 -4.862 1 1 377 . 18 1 1 A 30 30 GLU H H 30 7.935 7.808 0.127 1 1 378 . 18 1 1 A 30 30 GLU HA H 30 4.221 4.523 -0.302 1 1 383 . 18 1 1 A 30 30 GLU CA C 30 54.719 53.608 1.111 1 1 384 . 18 1 1 A 30 30 GLU CB C 30 28.002 29.390 -1.388 1 1 386 . 18 1 1 A 30 30 GLU N N 30 119.400 118.712 0.688 1 1 387 . 18 1 1 A 31 31 PRO HA H 31 4.430 4.388 0.042 1 1 394 . 18 1 1 A 31 31 PRO C C 31 177.447 177.878 -0.431 1 1 395 . 18 1 1 A 31 31 PRO CA C 31 62.992 64.134 -1.142 1 1 396 . 18 1 1 A 31 31 PRO CB C 31 32.354 31.772 0.582 1 1 399 . 18 1 1 A 32 32 VAL H H 32 7.989 7.656 0.333 1 1 400 . 18 1 1 A 32 32 VAL HA H 32 4.211 4.010 0.201 1 1 408 . 18 1 1 A 32 32 VAL C C 32 176.778 177.221 -0.443 1 1 409 . 18 1 1 A 32 32 VAL CA C 32 62.755 64.749 -1.994 1 1 410 . 18 1 1 A 32 32 VAL CB C 32 32.697 32.253 0.444 1 1 412 . 18 1 1 A 32 32 VAL N N 32 118.439 116.438 2.001 1 1 413 . 18 1 1 A 33 33 GLY H H 33 8.764 7.748 1.016 1 1 414 . 18 1 1 A 33 33 GLY HA2 H 33 4.195 4.162 0.033 1 1 415 . 18 1 1 A 33 33 GLY HA3 H 33 4.195 4.512 -0.317 1 1 416 . 18 1 1 A 33 33 GLY C C 33 176.287 175.308 0.979 1 1 417 . 18 1 1 A 33 33 GLY CA C 33 45.917 45.519 0.398 1 1 418 . 18 1 1 A 33 33 GLY N N 33 111.588 108.351 3.237 1 1 419 . 18 1 1 A 34 34 LYS H H 34 8.296 7.926 0.370 1 1 420 . 18 1 1 A 34 34 LYS HA H 34 3.839 4.000 -0.161 1 1 429 . 18 1 1 A 34 34 LYS C C 34 177.040 178.863 -1.823 1 1 430 . 18 1 1 A 34 34 LYS CA C 34 59.883 59.652 0.231 1 1 431 . 18 1 1 A 34 34 LYS CB C 34 32.883 32.437 0.446 1 1 435 . 18 1 1 A 34 34 LYS N N 34 119.887 120.170 -0.283 1 1 436 . 18 1 1 A 35 35 ASP H H 35 9.065 8.701 0.364 1 1 437 . 18 1 1 A 35 35 ASP HA H 35 4.362 4.590 -0.228 1 1 440 . 18 1 1 A 35 35 ASP C C 35 177.018 178.523 -1.505 1 1 441 . 18 1 1 A 35 35 ASP CA C 35 57.636 57.284 0.352 1 1 442 . 18 1 1 A 35 35 ASP CB C 35 41.086 39.862 1.224 1 1 443 . 18 1 1 A 35 35 ASP N N 35 115.065 118.949 -3.884 1 1 444 . 18 1 1 A 36 36 GLU H H 36 7.474 8.449 -0.975 1 1 445 . 18 1 1 A 36 36 GLU HA H 36 4.275 4.054 0.221 1 1 450 . 18 1 1 A 36 36 GLU C C 36 178.261 178.371 -0.110 1 1 451 . 18 1 1 A 36 36 GLU CA C 36 59.046 59.496 -0.450 1 1 452 . 18 1 1 A 36 36 GLU CB C 36 29.283 29.222 0.061 1 1 454 . 18 1 1 A 36 36 GLU N N 36 121.291 119.984 1.307 1 1 455 . 18 1 1 A 37 37 ALA H H 37 7.674 7.618 0.056 1 1 456 . 18 1 1 A 37 37 ALA HA H 37 3.887 4.057 -0.170 1 1 460 . 18 1 1 A 37 37 ALA C C 37 179.161 179.546 -0.385 1 1 461 . 18 1 1 A 37 37 ALA CA C 37 55.091 54.940 0.151 1 1 462 . 18 1 1 A 37 37 ALA CB C 37 17.925 18.029 -0.104 1 1 463 . 18 1 1 A 37 37 ALA N N 37 120.365 122.326 -1.961 1 1 464 . 18 1 1 A 38 38 TYR H H 38 8.175 8.058 0.117 1 1 465 . 18 1 1 A 38 38 TYR HA H 38 4.422 4.377 0.045 1 1 472 . 18 1 1 A 38 38 TYR C C 38 178.497 178.372 0.125 1 1 473 . 18 1 1 A 38 38 TYR CA C 38 62.662 61.143 1.519 1 1 474 . 18 1 1 A 38 38 TYR CB C 38 37.996 38.139 -0.143 1 1 477 . 18 1 1 A 38 38 TYR N N 38 117.027 116.001 1.026 1 1 478 . 18 1 1 A 39 39 TYR H H 39 8.321 8.362 -0.041 1 1 479 . 18 1 1 A 39 39 TYR HA H 39 4.413 4.426 -0.013 1 1 486 . 18 1 1 A 39 39 TYR C C 39 176.311 177.151 -0.840 1 1 487 . 18 1 1 A 39 39 TYR CA C 39 60.856 61.760 -0.904 1 1 488 . 18 1 1 A 39 39 TYR CB C 39 38.015 39.018 -1.003 1 1 491 . 18 1 1 A 39 39 TYR N N 39 120.527 120.961 -0.434 1 1 492 . 18 1 1 A 40 40 LEU H H 40 8.508 8.820 -0.312 1 1 493 . 18 1 1 A 40 40 LEU HA H 40 3.585 3.931 -0.346 1 1 503 . 18 1 1 A 40 40 LEU C C 40 178.857 179.231 -0.374 1 1 504 . 18 1 1 A 40 40 LEU CA C 40 57.723 57.783 -0.060 1 1 505 . 18 1 1 A 40 40 LEU CB C 40 41.543 41.303 0.240 1 1 509 . 18 1 1 A 40 40 LEU N N 40 118.925 120.269 -1.344 1 1 510 . 18 1 1 A 41 41 MET H H 41 8.661 8.388 0.273 1 1 511 . 18 1 1 A 41 41 MET HA H 41 3.611 3.938 -0.327 1 1 519 . 18 1 1 A 41 41 MET C C 41 178.325 179.140 -0.815 1 1 520 . 18 1 1 A 41 41 MET CA C 41 59.498 59.160 0.338 1 1 521 . 18 1 1 A 41 41 MET CB C 41 32.806 32.756 0.050 1 1 524 . 18 1 1 A 41 41 MET N N 41 119.892 117.794 2.098 1 1 525 . 18 1 1 A 42 42 GLY H H 42 8.531 8.310 0.221 1 1 526 . 18 1 1 A 42 42 GLY HA2 H 42 3.564 2.939 0.625 1 1 527 . 18 1 1 A 42 42 GLY HA3 H 42 3.164 3.645 -0.481 1 1 528 . 18 1 1 A 42 42 GLY C C 42 174.726 175.633 -0.907 1 1 529 . 18 1 1 A 42 42 GLY CA C 42 48.104 47.109 0.995 1 1 530 . 18 1 1 A 42 42 GLY N N 42 107.064 108.782 -1.718 1 1 531 . 18 1 1 A 43 43 ASN H H 43 8.260 8.590 -0.330 1 1 532 . 18 1 1 A 43 43 ASN HA H 43 4.334 4.394 -0.060 1 1 537 . 18 1 1 A 43 43 ASN C C 43 178.111 177.162 0.949 1 1 538 . 18 1 1 A 43 43 ASN CA C 43 54.966 56.598 -1.632 1 1 539 . 18 1 1 A 43 43 ASN CB C 43 36.326 39.364 -3.038 1 1 540 . 18 1 1 A 43 43 ASN N N 43 120.815 119.799 1.016 1 1 542 . 18 1 1 A 44 44 ALA H H 44 8.487 7.786 0.701 1 1 543 . 18 1 1 A 44 44 ALA HA H 44 3.788 4.008 -0.220 1 1 547 . 18 1 1 A 44 44 ALA C C 44 178.389 179.260 -0.871 1 1 548 . 18 1 1 A 44 44 ALA CA C 44 55.152 54.873 0.279 1 1 549 . 18 1 1 A 44 44 ALA CB C 44 16.897 18.343 -1.446 1 1 550 . 18 1 1 A 44 44 ALA N N 44 125.304 121.863 3.441 1 1 551 . 18 1 1 A 45 45 TYR H H 45 8.160 7.995 0.165 1 1 552 . 18 1 1 A 45 45 TYR HA H 45 4.168 4.206 -0.038 1 1 559 . 18 1 1 A 45 45 TYR C C 45 178.775 179.143 -0.368 1 1 560 . 18 1 1 A 45 45 TYR CA C 45 62.995 61.497 1.498 1 1 561 . 18 1 1 A 45 45 TYR CB C 45 36.944 37.981 -1.037 1 1 564 . 18 1 1 A 45 45 TYR N N 45 115.156 116.160 -1.004 1 1 565 . 18 1 1 A 46 46 ARG H H 46 8.901 8.530 0.371 1 1 566 . 18 1 1 A 46 46 ARG HA H 46 3.677 3.986 -0.309 1 1 573 . 18 1 1 A 46 46 ARG C C 46 179.396 178.301 1.095 1 1 574 . 18 1 1 A 46 46 ARG CA C 46 59.924 58.414 1.510 1 1 575 . 18 1 1 A 46 46 ARG CB C 46 30.131 29.781 0.350 1 1 578 . 18 1 1 A 46 46 ARG N N 46 121.781 118.527 3.254 1 1 579 . 18 1 1 A 47 47 LYS H H 47 7.813 7.468 0.345 1 1 580 . 18 1 1 A 47 47 LYS HA H 47 4.058 4.021 0.037 1 1 589 . 18 1 1 A 47 47 LYS C C 47 178.111 179.510 -1.399 1 1 590 . 18 1 1 A 47 47 LYS CA C 47 58.950 59.310 -0.360 1 1 591 . 18 1 1 A 47 47 LYS CB C 47 31.906 32.101 -0.195 1 1 595 . 18 1 1 A 47 47 LYS N N 47 120.818 119.092 1.726 1 1 596 . 18 1 1 A 48 48 LEU H H 48 7.312 7.379 -0.067 1 1 597 . 18 1 1 A 48 48 LEU HA H 48 4.228 4.018 0.210 1 1 607 . 18 1 1 A 48 48 LEU C C 48 177.254 177.018 0.236 1 1 608 . 18 1 1 A 48 48 LEU CA C 48 54.908 56.296 -1.388 1 1 609 . 18 1 1 A 48 48 LEU CB C 48 42.475 42.622 -0.147 1 1 613 . 18 1 1 A 48 48 LEU N N 48 116.553 117.633 -1.080 1 1 614 . 18 1 1 A 49 49 GLY H H 49 7.564 8.195 -0.631 1 1 615 . 18 1 1 A 49 49 GLY HA2 H 49 3.607 3.468 0.139 1 1 616 . 18 1 1 A 49 49 GLY HA3 H 49 2.316 3.796 -1.480 1 1 617 . 18 1 1 A 49 49 GLY C C 49 172.900 173.278 -0.378 1 1 618 . 18 1 1 A 49 49 GLY CA C 49 44.184 44.487 -0.303 1 1 619 . 18 1 1 A 49 49 GLY N N 49 107.326 105.768 1.558 1 1 620 . 18 1 1 A 50 50 ASP H H 50 7.670 7.590 0.080 1 1 621 . 18 1 1 A 50 50 ASP HA H 50 4.564 4.552 0.012 1 1 624 . 18 1 1 A 50 50 ASP C C 50 175.681 176.125 -0.444 1 1 625 . 18 1 1 A 50 50 ASP CA C 50 51.083 52.991 -1.908 1 1 626 . 18 1 1 A 50 50 ASP CB C 50 39.169 41.235 -2.066 1 1 627 . 18 1 1 A 50 50 ASP N N 50 120.356 119.637 0.719 1 1 628 . 18 1 1 A 51 51 TRP H H 51 6.939 8.129 -1.190 1 1 629 . 18 1 1 A 51 51 TRP HA H 51 4.314 4.429 -0.115 1 1 638 . 18 1 1 A 51 51 TRP C C 51 178.047 178.816 -0.769 1 1 639 . 18 1 1 A 51 51 TRP CA C 51 58.473 59.558 -1.085 1 1 640 . 18 1 1 A 51 51 TRP CB C 51 30.099 29.439 0.660 1 1 646 . 18 1 1 A 51 51 TRP N N 51 121.784 125.681 -3.897 1 1 648 . 18 1 1 A 52 52 GLN H H 52 8.677 8.106 0.571 1 1 649 . 18 1 1 A 52 52 GLN HA H 52 3.960 3.859 0.101 1 1 656 . 18 1 1 A 52 52 GLN C C 52 178.454 179.012 -0.558 1 1 657 . 18 1 1 A 52 52 GLN CA C 52 58.925 59.320 -0.395 1 1 658 . 18 1 1 A 52 52 GLN CB C 52 28.183 28.371 -0.188 1 1 660 . 18 1 1 A 52 52 GLN N N 52 117.018 119.371 -2.353 1 1 662 . 18 1 1 A 53 53 LYS H H 53 7.392 8.220 -0.828 1 1 663 . 18 1 1 A 53 53 LYS HA H 53 3.774 3.725 0.049 1 1 672 . 18 1 1 A 53 53 LYS C C 53 180.361 178.693 1.668 1 1 673 . 18 1 1 A 53 53 LYS CA C 53 59.764 58.834 0.930 1 1 674 . 18 1 1 A 53 53 LYS CB C 53 30.802 31.320 -0.518 1 1 678 . 18 1 1 A 53 53 LYS N N 53 117.913 119.319 -1.406 1 1 679 . 18 1 1 A 54 54 ALA H H 54 8.223 7.437 0.786 1 1 680 . 18 1 1 A 54 54 ALA HA H 54 4.012 3.823 0.189 1 1 684 . 18 1 1 A 54 54 ALA C C 54 177.635 179.892 -2.257 1 1 685 . 18 1 1 A 54 54 ALA CA C 54 55.792 54.978 0.814 1 1 686 . 18 1 1 A 54 54 ALA CB C 54 17.045 18.765 -1.720 1 1 687 . 18 1 1 A 54 54 ALA N N 54 123.665 121.515 2.150 1 1 688 . 18 1 1 A 55 55 LEU H H 55 8.425 8.430 -0.005 1 1 689 . 18 1 1 A 55 55 LEU HA H 55 4.010 4.029 -0.019 1 1 699 . 18 1 1 A 55 55 LEU C C 55 179.568 179.203 0.365 1 1 700 . 18 1 1 A 55 55 LEU CA C 55 58.611 58.112 0.499 1 1 701 . 18 1 1 A 55 55 LEU CB C 55 41.500 41.575 -0.075 1 1 705 . 18 1 1 A 55 55 LEU N N 55 116.583 118.231 -1.648 1 1 706 . 18 1 1 A 56 56 ASN H H 56 8.284 8.329 -0.045 1 1 707 . 18 1 1 A 56 56 ASN HA H 56 4.360 4.477 -0.117 1 1 712 . 18 1 1 A 56 56 ASN C C 56 177.790 178.597 -0.807 1 1 713 . 18 1 1 A 56 56 ASN CA C 56 55.852 56.655 -0.803 1 1 714 . 18 1 1 A 56 56 ASN CB C 56 37.882 38.015 -0.133 1 1 715 . 18 1 1 A 56 56 ASN N N 56 117.763 118.398 -0.635 1 1 717 . 18 1 1 A 57 57 ASN H H 57 7.600 7.556 0.044 1 1 718 . 18 1 1 A 57 57 ASN HA H 57 4.425 4.469 -0.044 1 1 723 . 18 1 1 A 57 57 ASN C C 57 177.404 178.214 -0.810 1 1 724 . 18 1 1 A 57 57 ASN CA C 57 58.105 56.271 1.834 1 1 725 . 18 1 1 A 57 57 ASN CB C 57 38.931 38.526 0.405 1 1 726 . 18 1 1 A 57 57 ASN N N 57 118.927 117.447 1.480 1 1 728 . 18 1 1 A 58 58 TYR H H 58 8.838 8.131 0.707 1 1 729 . 18 1 1 A 58 58 TYR HA H 58 4.667 4.377 0.290 1 1 736 . 18 1 1 A 58 58 TYR C C 58 178.047 178.452 -0.405 1 1 737 . 18 1 1 A 58 58 TYR CA C 58 58.430 61.799 -3.369 1 1 738 . 18 1 1 A 58 58 TYR CB C 58 36.743 38.120 -1.377 1 1 741 . 18 1 1 A 58 58 TYR N N 58 118.473 119.213 -0.740 1 1 742 . 18 1 1 A 59 59 GLN H H 59 8.572 8.441 0.131 1 1 743 . 18 1 1 A 59 59 GLN HA H 59 4.022 3.956 0.066 1 1 750 . 18 1 1 A 59 59 GLN C C 59 178.040 178.129 -0.089 1 1 751 . 18 1 1 A 59 59 GLN CA C 59 59.054 58.974 0.080 1 1 752 . 18 1 1 A 59 59 GLN CB C 59 27.126 28.672 -1.546 1 1 754 . 18 1 1 A 59 59 GLN N N 59 118.483 120.343 -1.860 1 1 756 . 18 1 1 A 60 60 SER H H 60 7.696 7.888 -0.192 1 1 757 . 18 1 1 A 60 60 SER HA H 60 3.931 3.960 -0.029 1 1 760 . 18 1 1 A 60 60 SER C C 60 175.926 176.370 -0.444 1 1 761 . 18 1 1 A 60 60 SER CA C 60 62.121 61.654 0.467 1 1 762 . 18 1 1 A 60 60 SER CB C 60 61.244 62.084 -0.840 1 1 763 . 18 1 1 A 60 60 SER N N 60 116.103 116.068 0.035 1 1 764 . 18 1 1 A 61 61 ALA H H 61 7.739 7.878 -0.139 1 1 765 . 18 1 1 A 61 61 ALA HA H 61 4.075 4.277 -0.202 1 1 769 . 18 1 1 A 61 61 ALA C C 61 178.686 180.652 -1.966 1 1 770 . 18 1 1 A 61 61 ALA CA C 61 56.019 55.107 0.912 1 1 771 . 18 1 1 A 61 61 ALA CB C 61 18.790 18.574 0.216 1 1 772 . 18 1 1 A 61 61 ALA N N 61 122.319 123.032 -0.713 1 1 773 . 18 1 1 A 62 62 ILE H H 62 7.991 7.906 0.085 1 1 774 . 18 1 1 A 62 62 ILE HA H 62 3.857 3.918 -0.061 1 1 784 . 18 1 1 A 62 62 ILE C C 62 178.131 177.696 0.435 1 1 785 . 18 1 1 A 62 62 ILE CA C 62 63.418 65.213 -1.795 1 1 786 . 18 1 1 A 62 62 ILE CB C 62 39.119 36.792 2.327 1 1 790 . 18 1 1 A 62 62 ILE N N 62 117.981 119.511 -1.530 1 1 791 . 18 1 1 A 63 63 GLU H H 63 7.988 8.273 -0.285 1 1 792 . 18 1 1 A 63 63 GLU HA H 63 3.902 4.031 -0.129 1 1 797 . 18 1 1 A 63 63 GLU C C 63 178.564 178.741 -0.177 1 1 798 . 18 1 1 A 63 63 GLU CA C 63 58.594 59.209 -0.615 1 1 799 . 18 1 1 A 63 63 GLU CB C 63 29.278 29.445 -0.167 1 1 801 . 18 1 1 A 63 63 GLU N N 63 118.190 120.573 -2.383 1 1 802 . 18 1 1 A 64 64 LEU H H 64 7.024 7.239 -0.215 1 1 803 . 18 1 1 A 64 64 LEU HA H 64 4.347 4.271 0.076 1 1 813 . 18 1 1 A 64 64 LEU C C 64 177.496 176.883 0.613 1 1 814 . 18 1 1 A 64 64 LEU CA C 64 55.810 56.309 -0.499 1 1 815 . 18 1 1 A 64 64 LEU CB C 64 43.746 43.800 -0.054 1 1 819 . 18 1 1 A 64 64 LEU N N 64 116.109 119.228 -3.119 1 1 820 . 18 1 1 A 65 65 ASN H H 65 8.270 8.326 -0.056 1 1 821 . 18 1 1 A 65 65 ASN HA H 65 5.068 5.097 -0.029 1 1 826 . 18 1 1 A 65 65 ASN C C 65 172.512 174.245 -1.733 1 1 827 . 18 1 1 A 65 65 ASN CA C 65 49.457 49.548 -0.091 1 1 828 . 18 1 1 A 65 65 ASN CB C 65 38.936 40.157 -1.221 1 1 829 . 18 1 1 A 65 65 ASN N N 65 116.544 116.077 0.467 1 1 831 . 18 1 1 A 66 66 PRO HA H 66 4.467 4.490 -0.023 1 1 838 . 18 1 1 A 66 66 PRO C C 66 176.054 175.742 0.312 1 1 839 . 18 1 1 A 66 66 PRO CA C 66 63.894 63.923 -0.029 1 1 840 . 18 1 1 A 66 66 PRO CB C 66 31.935 32.002 -0.067 1 1 843 . 18 1 1 A 67 67 ASP H H 67 7.326 8.402 -1.076 1 1 844 . 18 1 1 A 67 67 ASP HA H 67 4.863 4.986 -0.123 1 1 847 . 18 1 1 A 67 67 ASP C C 67 175.647 175.399 0.248 1 1 848 . 18 1 1 A 67 67 ASP CA C 67 53.273 52.974 0.299 1 1 849 . 18 1 1 A 67 67 ASP CB C 67 41.453 41.637 -0.184 1 1 850 . 18 1 1 A 67 67 ASP N N 67 114.579 119.658 -5.079 1 1 851 . 18 1 1 A 68 68 SER H H 68 7.670 7.308 0.362 1 1 852 . 18 1 1 A 68 68 SER HA H 68 4.315 4.580 -0.265 1 1 856 . 18 1 1 A 68 68 SER C C 68 175.108 174.899 0.209 1 1 857 . 18 1 1 A 68 68 SER CA C 68 56.422 55.996 0.426 1 1 858 . 18 1 1 A 68 68 SER CB C 68 63.880 63.759 0.121 1 1 859 . 18 1 1 A 68 68 SER N N 68 115.624 116.838 -1.214 1 1 860 . 18 1 1 A 69 69 PRO HA H 69 4.588 4.316 0.272 1 1 867 . 18 1 1 A 69 69 PRO C C 69 177.083 177.416 -0.333 1 1 868 . 18 1 1 A 69 69 PRO CA C 69 63.870 64.456 -0.586 1 1 869 . 18 1 1 A 69 69 PRO CB C 69 30.612 31.477 -0.865 1 1 872 . 18 1 1 A 70 70 ALA H H 70 8.442 8.012 0.430 1 1 873 . 18 1 1 A 70 70 ALA HA H 70 3.679 4.047 -0.368 1 1 877 . 18 1 1 A 70 70 ALA C C 70 177.667 179.939 -2.272 1 1 878 . 18 1 1 A 70 70 ALA CA C 70 54.025 54.487 -0.462 1 1 879 . 18 1 1 A 70 70 ALA CB C 70 20.741 18.845 1.896 1 1 880 . 18 1 1 A 70 70 ALA N N 70 121.749 119.852 1.897 1 1 881 . 18 1 1 A 71 71 LEU H H 71 7.956 7.985 -0.029 1 1 882 . 18 1 1 A 71 71 LEU HA H 71 3.883 3.854 0.029 1 1 892 . 18 1 1 A 71 71 LEU C C 71 179.241 179.146 0.095 1 1 893 . 18 1 1 A 71 71 LEU CA C 71 58.602 58.114 0.488 1 1 894 . 18 1 1 A 71 71 LEU CB C 71 41.987 41.565 0.422 1 1 898 . 18 1 1 A 71 71 LEU N N 71 119.448 119.002 0.446 1 1 899 . 18 1 1 A 72 72 GLN H H 72 7.464 7.965 -0.501 1 1 900 . 18 1 1 A 72 72 GLN HA H 72 4.049 4.085 -0.036 1 1 907 . 18 1 1 A 72 72 GLN C C 72 178.432 178.289 0.143 1 1 908 . 18 1 1 A 72 72 GLN CA C 72 58.626 59.068 -0.442 1 1 909 . 18 1 1 A 72 72 GLN CB C 72 27.557 28.373 -0.816 1 1 911 . 18 1 1 A 72 72 GLN N N 72 117.976 118.156 -0.180 1 1 913 . 18 1 1 A 73 73 ALA H H 73 7.296 8.090 -0.794 1 1 914 . 18 1 1 A 73 73 ALA HA H 73 4.017 3.948 0.069 1 1 918 . 18 1 1 A 73 73 ALA C C 73 178.775 179.169 -0.394 1 1 919 . 18 1 1 A 73 73 ALA CA C 73 54.688 55.001 -0.313 1 1 920 . 18 1 1 A 73 73 ALA CB C 73 17.473 17.597 -0.124 1 1 921 . 18 1 1 A 73 73 ALA N N 73 123.083 122.606 0.477 1 1 922 . 18 1 1 A 74 74 ARG H H 74 8.328 7.947 0.381 1 1 923 . 18 1 1 A 74 74 ARG HA H 74 3.820 4.200 -0.380 1 1 931 . 18 1 1 A 74 74 ARG C C 74 177.297 178.968 -1.671 1 1 932 . 18 1 1 A 74 74 ARG CA C 74 59.805 59.361 0.444 1 1 933 . 18 1 1 A 74 74 ARG CB C 74 29.773 29.781 -0.008 1 1 936 . 18 1 1 A 74 74 ARG N N 74 117.535 118.163 -0.628 1 1 938 . 18 1 1 A 75 75 LYS H H 75 7.123 7.628 -0.505 1 1 939 . 18 1 1 A 75 75 LYS HA H 75 3.960 4.038 -0.078 1 1 948 . 18 1 1 A 75 75 LYS C C 75 178.071 179.110 -1.039 1 1 949 . 18 1 1 A 75 75 LYS CA C 75 59.488 58.993 0.495 1 1 950 . 18 1 1 A 75 75 LYS CB C 75 31.928 32.056 -0.128 1 1 954 . 18 1 1 A 75 75 LYS N N 75 119.136 118.761 0.375 1 1 955 . 18 1 1 A 76 76 MET H H 76 7.673 8.147 -0.474 1 1 956 . 18 1 1 A 76 76 MET HA H 76 4.205 4.082 0.123 1 1 964 . 18 1 1 A 76 76 MET C C 76 178.925 178.119 0.806 1 1 965 . 18 1 1 A 76 76 MET CA C 76 58.637 58.932 -0.295 1 1 966 . 18 1 1 A 76 76 MET CB C 76 32.344 32.352 -0.008 1 1 969 . 18 1 1 A 76 76 MET N N 76 116.794 119.265 -2.471 1 1 970 . 18 1 1 A 77 77 VAL H H 77 7.928 7.956 -0.028 1 1 971 . 18 1 1 A 77 77 VAL HA H 77 3.601 3.289 0.312 1 1 979 . 18 1 1 A 77 77 VAL C C 77 177.318 177.840 -0.522 1 1 980 . 18 1 1 A 77 77 VAL CA C 77 66.468 66.582 -0.114 1 1 981 . 18 1 1 A 77 77 VAL CB C 77 31.477 31.355 0.122 1 1 984 . 18 1 1 A 77 77 VAL N N 77 117.999 119.030 -1.031 1 1 985 . 18 1 1 A 78 78 MET H H 78 8.446 8.025 0.421 1 1 986 . 18 1 1 A 78 78 MET HA H 78 4.136 4.170 -0.034 1 1 994 . 18 1 1 A 78 78 MET C C 78 178.542 178.399 0.143 1 1 995 . 18 1 1 A 78 78 MET CA C 78 58.514 58.882 -0.368 1 1 996 . 18 1 1 A 78 78 MET CB C 78 31.036 32.733 -1.697 1 1 999 . 18 1 1 A 78 78 MET N N 78 119.079 117.496 1.583 1 1 1000 . 18 1 1 A 79 79 ASP H H 79 8.202 8.261 -0.059 1 1 1001 . 18 1 1 A 79 79 ASP HA H 79 4.419 3.941 0.478 1 1 1004 . 18 1 1 A 79 79 ASP C C 79 179.097 178.485 0.612 1 1 1005 . 18 1 1 A 79 79 ASP CA C 79 57.277 57.473 -0.196 1 1 1006 . 18 1 1 A 79 79 ASP CB C 79 39.813 40.610 -0.797 1 1 1007 . 18 1 1 A 79 79 ASP N N 79 119.422 118.559 0.863 1 1 1008 . 18 1 1 A 80 80 ILE H H 80 7.625 7.940 -0.315 1 1 1009 . 18 1 1 A 80 80 ILE HA H 80 3.643 3.559 0.084 1 1 1019 . 18 1 1 A 80 80 ILE C C 80 178.024 177.944 0.080 1 1 1020 . 18 1 1 A 80 80 ILE CA C 80 64.717 65.385 -0.668 1 1 1021 . 18 1 1 A 80 80 ILE CB C 80 37.661 37.458 0.203 1 1 1025 . 18 1 1 A 80 80 ILE N N 80 121.750 120.558 1.192 1 1 1026 . 18 1 1 A 81 81 LEU H H 81 8.071 8.187 -0.116 1 1 1027 . 18 1 1 A 81 81 LEU HA H 81 3.908 3.581 0.327 1 1 1037 . 18 1 1 A 81 81 LEU C C 81 178.852 178.949 -0.097 1 1 1038 . 18 1 1 A 81 81 LEU CA C 81 57.329 57.834 -0.505 1 1 1039 . 18 1 1 A 81 81 LEU CB C 81 41.544 40.536 1.008 1 1 1043 . 18 1 1 A 81 81 LEU N N 81 119.850 118.804 1.046 1 1 1044 . 18 1 1 A 82 82 ASN H H 82 8.188 7.993 0.195 1 1 1045 . 18 1 1 A 82 82 ASN HA H 82 4.417 3.933 0.484 1 1 1050 . 18 1 1 A 82 82 ASN C C 82 176.440 177.562 -1.122 1 1 1051 . 18 1 1 A 82 82 ASN CA C 82 55.011 55.843 -0.832 1 1 1052 . 18 1 1 A 82 82 ASN CB C 82 38.461 38.066 0.395 1 1 1053 . 18 1 1 A 82 82 ASN N N 82 116.186 117.498 -1.312 1 1 1055 . 18 1 1 A 83 83 PHE H H 83 7.779 7.404 0.375 1 1 1056 . 18 1 1 A 83 83 PHE HA H 83 4.352 4.210 0.142 1 1 1064 . 18 1 1 A 83 83 PHE C C 83 176.767 177.745 -0.978 1 1 1065 . 18 1 1 A 83 83 PHE CA C 83 59.557 60.501 -0.944 1 1 1066 . 18 1 1 A 83 83 PHE CB C 83 38.944 38.218 0.726 1 1 1070 . 18 1 1 A 83 83 PHE N N 83 118.925 117.876 1.049 1 1 1071 . 18 1 1 A 84 84 TYR H H 84 8.057 7.809 0.248 1 1 1072 . 18 1 1 A 84 84 TYR HA H 84 4.388 4.460 -0.072 1 1 1079 . 18 1 1 A 84 84 TYR C C 84 176.233 176.132 0.101 1 1 1080 . 18 1 1 A 84 84 TYR CA C 84 59.261 60.019 -0.758 1 1 1081 . 18 1 1 A 84 84 TYR CB C 84 38.503 38.979 -0.476 1 1 1084 . 18 1 1 A 84 84 TYR N N 84 118.223 117.622 0.601 1 1 1085 . 18 1 1 A 85 85 ASN H H 85 8.192 8.170 0.022 1 1 1086 . 18 1 1 A 85 85 ASN HA H 85 4.679 5.006 -0.327 1 1 1091 . 18 1 1 A 85 85 ASN C C 85 175.367 175.327 0.040 1 1 1092 . 18 1 1 A 85 85 ASN CA C 85 53.261 52.386 0.875 1 1 1093 . 18 1 1 A 85 85 ASN CB C 85 38.501 41.113 -2.612 1 1 1094 . 18 1 1 A 85 85 ASN N N 85 118.935 112.726 6.209 1 1 1096 . 18 1 1 A 86 86 LYS H H 86 8.151 8.615 -0.464 1 1 1097 . 18 1 1 A 86 86 LYS HA H 86 4.151 4.347 -0.196 1 1 1106 . 18 1 1 A 86 86 LYS C C 86 176.981 178.321 -1.340 1 1 1107 . 18 1 1 A 86 86 LYS CA C 86 57.714 57.752 -0.038 1 1 1108 . 18 1 1 A 86 86 LYS CB C 86 32.368 32.871 -0.503 1 1 1112 . 18 1 1 A 86 86 LYS N N 86 121.533 121.289 0.244 1 1 1113 . 18 1 1 A 87 87 ASP H H 87 8.269 7.707 0.562 1 1 1114 . 18 1 1 A 87 87 ASP HA H 87 4.553 4.421 0.132 1 1 1117 . 18 1 1 A 87 87 ASP C C 87 177.209 178.948 -1.739 1 1 1118 . 18 1 1 A 87 87 ASP CA C 87 55.538 57.342 -1.804 1 1 1119 . 18 1 1 A 87 87 ASP CB C 87 40.677 41.002 -0.325 1 1 1120 . 18 1 1 A 87 87 ASP N N 87 119.408 119.221 0.187 1 1 1121 . 18 1 1 A 88 88 MET H H 88 7.941 8.545 -0.604 1 1 1122 . 18 1 1 A 88 88 MET HA H 88 4.257 4.235 0.022 1 1 1130 . 18 1 1 A 88 88 MET C C 88 176.851 177.974 -1.123 1 1 1131 . 18 1 1 A 88 88 MET CA C 88 56.461 58.274 -1.813 1 1 1132 . 18 1 1 A 88 88 MET CB C 88 32.371 32.638 -0.267 1 1 1135 . 18 1 1 A 88 88 MET N N 88 119.377 118.515 0.862 1 1 1136 . 18 1 1 A 89 89 TYR H H 89 8.094 8.254 -0.160 1 1 1137 . 18 1 1 A 89 89 TYR HA H 89 4.350 4.084 0.266 1 1 1144 . 18 1 1 A 89 89 TYR C C 89 176.252 177.920 -1.668 1 1 1145 . 18 1 1 A 89 89 TYR CA C 89 59.097 61.546 -2.449 1 1 1146 . 18 1 1 A 89 89 TYR CB C 89 38.051 38.507 -0.456 1 1 1149 . 18 1 1 A 89 89 TYR N N 89 119.418 122.710 -3.292 1 1 1150 . 18 1 1 A 90 90 ASN H H 90 8.244 8.395 -0.151 1 1 1151 . 18 1 1 A 90 90 ASN HA H 90 4.573 4.293 0.280 1 1 1156 . 18 1 1 A 90 90 ASN C C 90 175.907 178.382 -2.475 1 1 1157 . 18 1 1 A 90 90 ASN CA C 90 53.867 56.242 -2.375 1 1 1158 . 18 1 1 A 90 90 ASN CB C 90 38.479 38.313 0.166 1 1 1159 . 18 1 1 A 90 90 ASN N N 90 118.918 117.261 1.657 1 1 1161 . 18 1 1 A 91 91 GLN H H 91 8.176 7.705 0.471 1 1 1162 . 18 1 1 A 91 91 GLN HA H 91 4.216 4.213 0.003 1 1 1169 . 18 1 1 A 91 91 GLN C C 91 176.568 179.233 -2.665 1 1 1170 . 18 1 1 A 91 91 GLN CA C 91 56.600 58.436 -1.836 1 1 1171 . 18 1 1 A 91 91 GLN CB C 91 28.859 28.557 0.302 1 1 1173 . 18 1 1 A 91 91 GLN N N 91 119.648 120.771 -1.123 1 1 1175 . 18 1 1 A 92 92 LEU H H 92 8.015 7.790 0.225 1 1 1176 . 18 1 1 A 92 92 LEU HA H 92 4.214 4.006 0.208 1 1 1186 . 18 1 1 A 92 92 LEU C C 92 177.661 178.395 -0.734 1 1 1187 . 18 1 1 A 92 92 LEU CA C 92 55.550 57.586 -2.036 1 1 1188 . 18 1 1 A 92 92 LEU CB C 92 41.994 41.583 0.411 1 1 1192 . 18 1 1 A 92 92 LEU N N 92 121.059 120.053 1.006 1 1 1193 . 18 1 1 A 93 93 GLU H H 93 8.132 7.637 0.495 1 1 1194 . 18 1 1 A 93 93 GLU HA H 93 4.099 4.318 -0.219 1 1 1199 . 18 1 1 A 93 93 GLU C C 93 176.461 175.197 1.264 1 1 1200 . 18 1 1 A 93 93 GLU CA C 93 56.838 55.116 1.722 1 1 1201 . 18 1 1 A 93 93 GLU CB C 93 29.803 28.609 1.194 1 1 1203 . 18 1 1 A 93 93 GLU N N 93 119.896 117.613 2.283 1 1 1204 . 18 1 1 A 94 94 HIS H H 94 8.134 8.643 -0.509 1 1 1205 . 18 1 1 A 94 94 HIS C C 94 174.994 174.986 0.008 1 1 1206 . 18 1 1 A 94 94 HIS CA C 94 56.075 56.035 0.040 1 1 1207 . 18 1 1 A 94 94 HIS CB C 94 29.997 31.594 -1.597 1 1 1 . 19 1 1 A 2 2 ASP HA H 2 4.708 5.285 -0.577 1 1 4 . 19 1 1 A 2 2 ASP C C 2 176.847 176.298 0.549 1 1 5 . 19 1 1 A 2 2 ASP CA C 2 53.800 53.070 0.730 1 1 6 . 19 1 1 A 2 2 ASP CB C 2 40.922 43.102 -2.180 1 1 7 . 19 1 1 A 3 3 GLN H H 3 9.117 8.867 0.250 1 1 8 . 19 1 1 A 3 3 GLN HA H 3 4.139 3.898 0.241 1 1 15 . 19 1 1 A 3 3 GLN C C 3 177.725 177.446 0.279 1 1 16 . 19 1 1 A 3 3 GLN CA C 3 58.612 58.326 0.286 1 1 17 . 19 1 1 A 3 3 GLN CB C 3 28.880 28.325 0.555 1 1 19 . 19 1 1 A 3 3 GLN N N 3 124.129 125.711 -1.582 1 1 21 . 19 1 1 A 4 4 LEU H H 4 8.285 7.999 0.286 1 1 22 . 19 1 1 A 4 4 LEU HA H 4 3.947 3.719 0.228 1 1 32 . 19 1 1 A 4 4 LEU C C 4 178.111 179.144 -1.033 1 1 33 . 19 1 1 A 4 4 LEU CA C 4 56.421 57.799 -1.378 1 1 34 . 19 1 1 A 4 4 LEU CB C 4 40.690 41.409 -0.719 1 1 38 . 19 1 1 A 4 4 LEU N N 4 117.977 119.873 -1.896 1 1 39 . 19 1 1 A 5 5 LYS H H 5 7.624 7.792 -0.168 1 1 40 . 19 1 1 A 5 5 LYS HA H 5 3.837 3.940 -0.103 1 1 49 . 19 1 1 A 5 5 LYS C C 5 178.775 178.861 -0.086 1 1 50 . 19 1 1 A 5 5 LYS CA C 5 59.939 59.840 0.099 1 1 51 . 19 1 1 A 5 5 LYS CB C 5 32.344 32.181 0.163 1 1 55 . 19 1 1 A 5 5 LYS N N 5 121.000 120.219 0.781 1 1 56 . 19 1 1 A 6 6 THR H H 6 7.852 7.634 0.218 1 1 57 . 19 1 1 A 6 6 THR HA H 6 3.908 3.898 0.010 1 1 62 . 19 1 1 A 6 6 THR C C 6 176.483 176.431 0.052 1 1 63 . 19 1 1 A 6 6 THR CA C 6 66.062 66.833 -0.771 1 1 64 . 19 1 1 A 6 6 THR CB C 6 68.255 68.344 -0.089 1 1 66 . 19 1 1 A 6 6 THR N N 6 115.606 116.132 -0.526 1 1 67 . 19 1 1 A 7 7 ILE H H 7 7.791 7.987 -0.196 1 1 68 . 19 1 1 A 7 7 ILE HA H 7 3.422 3.544 -0.122 1 1 78 . 19 1 1 A 7 7 ILE C C 7 177.219 177.768 -0.549 1 1 79 . 19 1 1 A 7 7 ILE CA C 7 65.799 65.228 0.571 1 1 80 . 19 1 1 A 7 7 ILE CB C 7 37.619 37.585 0.034 1 1 84 . 19 1 1 A 7 7 ILE N N 7 122.292 121.579 0.713 1 1 85 . 19 1 1 A 8 8 LYS H H 8 8.233 8.133 0.100 1 1 86 . 19 1 1 A 8 8 LYS HA H 8 3.721 3.773 -0.052 1 1 95 . 19 1 1 A 8 8 LYS C C 8 179.054 179.856 -0.802 1 1 96 . 19 1 1 A 8 8 LYS CA C 8 60.378 60.473 -0.095 1 1 97 . 19 1 1 A 8 8 LYS CB C 8 31.990 32.151 -0.161 1 1 101 . 19 1 1 A 8 8 LYS N N 8 119.853 118.596 1.257 1 1 102 . 19 1 1 A 9 9 GLU H H 9 7.677 8.105 -0.428 1 1 103 . 19 1 1 A 9 9 GLU HA H 9 4.138 4.012 0.126 1 1 108 . 19 1 1 A 9 9 GLU C C 9 178.839 179.335 -0.496 1 1 109 . 19 1 1 A 9 9 GLU CA C 9 59.045 59.009 0.036 1 1 110 . 19 1 1 A 9 9 GLU CB C 9 28.877 29.395 -0.518 1 1 112 . 19 1 1 A 9 9 GLU N N 9 118.933 120.612 -1.679 1 1 113 . 19 1 1 A 10 10 LEU H H 10 7.996 8.347 -0.351 1 1 114 . 19 1 1 A 10 10 LEU HA H 10 4.027 3.984 0.043 1 1 124 . 19 1 1 A 10 10 LEU C C 10 179.717 179.035 0.682 1 1 125 . 19 1 1 A 10 10 LEU CA C 10 58.212 58.164 0.048 1 1 126 . 19 1 1 A 10 10 LEU CB C 10 41.994 41.885 0.109 1 1 130 . 19 1 1 A 10 10 LEU N N 10 120.361 120.803 -0.442 1 1 131 . 19 1 1 A 11 11 ILE H H 11 8.059 8.137 -0.078 1 1 132 . 19 1 1 A 11 11 ILE HA H 11 3.233 3.522 -0.289 1 1 142 . 19 1 1 A 11 11 ILE C C 11 179.525 178.325 1.200 1 1 143 . 19 1 1 A 11 11 ILE CA C 11 65.782 65.014 0.768 1 1 144 . 19 1 1 A 11 11 ILE CB C 11 37.620 37.542 0.078 1 1 148 . 19 1 1 A 11 11 ILE N N 11 118.455 119.720 -1.265 1 1 149 . 19 1 1 A 12 12 ASN H H 12 8.219 8.056 0.163 1 1 150 . 19 1 1 A 12 12 ASN HA H 12 4.355 4.487 -0.132 1 1 155 . 19 1 1 A 12 12 ASN C C 12 177.168 178.249 -1.081 1 1 156 . 19 1 1 A 12 12 ASN CA C 12 55.945 56.408 -0.463 1 1 157 . 19 1 1 A 12 12 ASN CB C 12 38.012 37.992 0.020 1 1 158 . 19 1 1 A 12 12 ASN N N 12 120.732 118.541 2.191 1 1 160 . 19 1 1 A 13 13 GLN H H 13 8.028 7.488 0.540 1 1 161 . 19 1 1 A 13 13 GLN HA H 13 4.295 4.182 0.113 1 1 168 . 19 1 1 A 13 13 GLN C C 13 176.418 175.836 0.582 1 1 169 . 19 1 1 A 13 13 GLN CA C 13 55.821 57.053 -1.232 1 1 170 . 19 1 1 A 13 13 GLN CB C 13 28.852 29.310 -0.458 1 1 172 . 19 1 1 A 13 13 GLN N N 13 116.080 116.476 -0.396 1 1 174 . 19 1 1 A 14 14 GLY H H 14 7.853 8.054 -0.201 1 1 175 . 19 1 1 A 14 14 GLY HA2 H 14 4.337 3.991 0.346 1 1 176 . 19 1 1 A 14 14 GLY HA3 H 14 3.511 3.999 -0.488 1 1 177 . 19 1 1 A 14 14 GLY C C 14 174.233 174.546 -0.313 1 1 178 . 19 1 1 A 14 14 GLY CA C 14 45.063 45.209 -0.146 1 1 179 . 19 1 1 A 14 14 GLY N N 14 107.118 106.563 0.555 1 1 180 . 19 1 1 A 15 15 ASP H H 15 8.325 8.203 0.122 1 1 181 . 19 1 1 A 15 15 ASP HA H 15 4.973 4.875 0.098 1 1 184 . 19 1 1 A 15 15 ASP C C 15 176.427 176.186 0.241 1 1 185 . 19 1 1 A 15 15 ASP CA C 15 51.828 53.369 -1.541 1 1 186 . 19 1 1 A 15 15 ASP CB C 15 38.583 39.190 -0.607 1 1 187 . 19 1 1 A 15 15 ASP N N 15 125.524 121.106 4.418 1 1 188 . 19 1 1 A 16 16 ILE H H 16 7.615 8.015 -0.400 1 1 189 . 19 1 1 A 16 16 ILE HA H 16 3.353 3.578 -0.225 1 1 199 . 19 1 1 A 16 16 ILE C C 16 177.618 177.526 0.092 1 1 200 . 19 1 1 A 16 16 ILE CA C 16 62.996 65.197 -2.201 1 1 201 . 19 1 1 A 16 16 ILE CB C 16 35.856 37.853 -1.997 1 1 205 . 19 1 1 A 16 16 ILE N N 16 119.875 121.126 -1.251 1 1 206 . 19 1 1 A 17 17 GLU H H 17 8.844 7.994 0.850 1 1 207 . 19 1 1 A 17 17 GLU HA H 17 3.887 3.893 -0.006 1 1 212 . 19 1 1 A 17 17 GLU C C 17 179.739 179.407 0.332 1 1 213 . 19 1 1 A 17 17 GLU CA C 17 60.364 59.598 0.766 1 1 214 . 19 1 1 A 17 17 GLU CB C 17 28.670 29.081 -0.411 1 1 216 . 19 1 1 A 17 17 GLU N N 17 120.080 119.267 0.813 1 1 217 . 19 1 1 A 18 18 ASN H H 18 7.768 7.959 -0.191 1 1 218 . 19 1 1 A 18 18 ASN HA H 18 4.535 4.393 0.142 1 1 223 . 19 1 1 A 18 18 ASN C C 18 178.197 177.804 0.393 1 1 224 . 19 1 1 A 18 18 ASN CA C 18 55.682 56.368 -0.686 1 1 225 . 19 1 1 A 18 18 ASN CB C 18 37.615 37.755 -0.140 1 1 226 . 19 1 1 A 18 18 ASN N N 18 116.056 118.822 -2.766 1 1 228 . 19 1 1 A 19 19 ALA H H 19 7.989 8.078 -0.089 1 1 229 . 19 1 1 A 19 19 ALA HA H 19 3.870 4.017 -0.147 1 1 233 . 19 1 1 A 19 19 ALA C C 19 178.732 179.880 -1.148 1 1 234 . 19 1 1 A 19 19 ALA CA C 19 55.543 55.121 0.422 1 1 235 . 19 1 1 A 19 19 ALA CB C 19 18.362 18.584 -0.222 1 1 236 . 19 1 1 A 19 19 ALA N N 19 123.900 122.935 0.965 1 1 237 . 19 1 1 A 20 20 LEU H H 20 8.589 8.737 -0.148 1 1 238 . 19 1 1 A 20 20 LEU HA H 20 3.856 3.860 -0.004 1 1 248 . 19 1 1 A 20 20 LEU C C 20 179.139 179.307 -0.168 1 1 249 . 19 1 1 A 20 20 LEU CA C 20 58.169 58.026 0.143 1 1 250 . 19 1 1 A 20 20 LEU CB C 20 41.569 41.377 0.192 1 1 254 . 19 1 1 A 20 20 LEU N N 20 117.052 117.922 -0.870 1 1 255 . 19 1 1 A 21 21 GLN H H 21 7.439 8.415 -0.976 1 1 256 . 19 1 1 A 21 21 GLN HA H 21 4.029 3.936 0.093 1 1 263 . 19 1 1 A 21 21 GLN C C 21 178.411 178.466 -0.055 1 1 264 . 19 1 1 A 21 21 GLN CA C 21 58.730 58.907 -0.177 1 1 265 . 19 1 1 A 21 21 GLN CB C 21 28.002 28.587 -0.585 1 1 267 . 19 1 1 A 21 21 GLN N N 21 118.218 118.522 -0.304 1 1 269 . 19 1 1 A 22 22 ALA H H 22 7.848 7.725 0.123 1 1 270 . 19 1 1 A 22 22 ALA HA H 22 4.191 4.166 0.025 1 1 274 . 19 1 1 A 22 22 ALA C C 22 181.475 180.018 1.457 1 1 275 . 19 1 1 A 22 22 ALA CA C 22 54.631 54.925 -0.294 1 1 276 . 19 1 1 A 22 22 ALA CB C 22 17.907 18.396 -0.489 1 1 277 . 19 1 1 A 22 22 ALA N N 22 121.474 121.578 -0.104 1 1 278 . 19 1 1 A 23 23 LEU H H 23 8.751 8.400 0.351 1 1 279 . 19 1 1 A 23 23 LEU HA H 23 3.906 3.879 0.027 1 1 289 . 19 1 1 A 23 23 LEU C C 23 177.996 179.400 -1.404 1 1 290 . 19 1 1 A 23 23 LEU CA C 23 58.155 58.194 -0.039 1 1 291 . 19 1 1 A 23 23 LEU CB C 23 42.020 41.669 0.351 1 1 295 . 19 1 1 A 23 23 LEU N N 23 122.246 119.445 2.801 1 1 296 . 19 1 1 A 24 24 GLU H H 24 8.247 8.064 0.183 1 1 297 . 19 1 1 A 24 24 GLU HA H 24 3.971 4.010 -0.039 1 1 302 . 19 1 1 A 24 24 GLU C C 24 179.751 179.413 0.338 1 1 303 . 19 1 1 A 24 24 GLU CA C 24 59.506 59.751 -0.245 1 1 304 . 19 1 1 A 24 24 GLU CB C 24 28.849 29.366 -0.517 1 1 306 . 19 1 1 A 24 24 GLU N N 24 119.875 117.749 2.126 1 1 307 . 19 1 1 A 25 25 GLU H H 25 7.736 7.992 -0.256 1 1 308 . 19 1 1 A 25 25 GLU HA H 25 4.013 4.084 -0.071 1 1 313 . 19 1 1 A 25 25 GLU C C 25 179.204 179.109 0.095 1 1 314 . 19 1 1 A 25 25 GLU CA C 25 59.058 59.145 -0.087 1 1 315 . 19 1 1 A 25 25 GLU CB C 25 29.238 29.606 -0.368 1 1 317 . 19 1 1 A 25 25 GLU N N 25 118.451 121.097 -2.646 1 1 318 . 19 1 1 A 26 26 PHE H H 26 8.389 8.440 -0.051 1 1 319 . 19 1 1 A 26 26 PHE HA H 26 4.218 4.085 0.133 1 1 327 . 19 1 1 A 26 26 PHE C C 26 178.732 177.252 1.480 1 1 328 . 19 1 1 A 26 26 PHE CA C 26 61.020 61.308 -0.288 1 1 329 . 19 1 1 A 26 26 PHE CB C 26 39.383 39.528 -0.145 1 1 333 . 19 1 1 A 26 26 PHE N N 26 122.243 122.265 -0.022 1 1 334 . 19 1 1 A 27 27 LEU H H 27 8.643 8.297 0.346 1 1 335 . 19 1 1 A 27 27 LEU HA H 27 3.666 3.959 -0.293 1 1 345 . 19 1 1 A 27 27 LEU C C 27 179.172 178.493 0.679 1 1 346 . 19 1 1 A 27 27 LEU CA C 27 57.728 57.410 0.318 1 1 347 . 19 1 1 A 27 27 LEU CB C 27 42.008 41.553 0.455 1 1 351 . 19 1 1 A 27 27 LEU N N 27 119.374 118.839 0.535 1 1 352 . 19 1 1 A 28 28 GLN H H 28 7.536 7.670 -0.134 1 1 353 . 19 1 1 A 28 28 GLN HA H 28 4.215 4.220 -0.005 1 1 360 . 19 1 1 A 28 28 GLN C C 28 177.261 176.854 0.407 1 1 361 . 19 1 1 A 28 28 GLN CA C 28 57.287 57.610 -0.323 1 1 362 . 19 1 1 A 28 28 GLN CB C 28 28.832 29.166 -0.334 1 1 364 . 19 1 1 A 28 28 GLN N N 28 116.095 117.265 -1.170 1 1 366 . 19 1 1 A 29 29 THR H H 29 7.480 7.782 -0.302 1 1 367 . 19 1 1 A 29 29 THR HA H 29 4.332 4.334 -0.002 1 1 372 . 19 1 1 A 29 29 THR C C 29 174.092 174.151 -0.059 1 1 373 . 19 1 1 A 29 29 THR CA C 29 62.533 64.092 -1.559 1 1 374 . 19 1 1 A 29 29 THR CB C 29 70.435 70.111 0.324 1 1 376 . 19 1 1 A 29 29 THR N N 29 108.609 114.478 -5.869 1 1 377 . 19 1 1 A 30 30 GLU H H 30 7.935 7.732 0.203 1 1 378 . 19 1 1 A 30 30 GLU HA H 30 4.221 4.588 -0.367 1 1 383 . 19 1 1 A 30 30 GLU CA C 30 54.719 53.902 0.817 1 1 384 . 19 1 1 A 30 30 GLU CB C 30 28.002 29.541 -1.539 1 1 386 . 19 1 1 A 30 30 GLU N N 30 119.400 118.574 0.826 1 1 387 . 19 1 1 A 31 31 PRO HA H 31 4.430 4.370 0.060 1 1 394 . 19 1 1 A 31 31 PRO C C 31 177.447 177.625 -0.178 1 1 395 . 19 1 1 A 31 31 PRO CA C 31 62.992 64.515 -1.523 1 1 396 . 19 1 1 A 31 31 PRO CB C 31 32.354 31.930 0.424 1 1 399 . 19 1 1 A 32 32 VAL H H 32 7.989 7.834 0.155 1 1 400 . 19 1 1 A 32 32 VAL HA H 32 4.211 4.044 0.167 1 1 408 . 19 1 1 A 32 32 VAL C C 32 176.778 177.119 -0.341 1 1 409 . 19 1 1 A 32 32 VAL CA C 32 62.755 63.953 -1.198 1 1 410 . 19 1 1 A 32 32 VAL CB C 32 32.697 31.460 1.237 1 1 412 . 19 1 1 A 32 32 VAL N N 32 118.439 116.512 1.927 1 1 413 . 19 1 1 A 33 33 GLY H H 33 8.764 7.578 1.186 1 1 414 . 19 1 1 A 33 33 GLY HA2 H 33 4.195 4.194 0.001 1 1 415 . 19 1 1 A 33 33 GLY HA3 H 33 4.195 4.349 -0.154 1 1 416 . 19 1 1 A 33 33 GLY C C 33 176.287 175.351 0.936 1 1 417 . 19 1 1 A 33 33 GLY CA C 33 45.917 45.593 0.324 1 1 418 . 19 1 1 A 33 33 GLY N N 33 111.588 108.673 2.915 1 1 419 . 19 1 1 A 34 34 LYS H H 34 8.296 7.437 0.859 1 1 420 . 19 1 1 A 34 34 LYS HA H 34 3.839 4.032 -0.193 1 1 429 . 19 1 1 A 34 34 LYS C C 34 177.040 178.787 -1.747 1 1 430 . 19 1 1 A 34 34 LYS CA C 34 59.883 59.397 0.486 1 1 431 . 19 1 1 A 34 34 LYS CB C 34 32.883 32.137 0.746 1 1 435 . 19 1 1 A 34 34 LYS N N 34 119.887 120.148 -0.261 1 1 436 . 19 1 1 A 35 35 ASP H H 35 9.065 8.653 0.412 1 1 437 . 19 1 1 A 35 35 ASP HA H 35 4.362 4.516 -0.154 1 1 440 . 19 1 1 A 35 35 ASP C C 35 177.018 178.535 -1.517 1 1 441 . 19 1 1 A 35 35 ASP CA C 35 57.636 57.133 0.503 1 1 442 . 19 1 1 A 35 35 ASP CB C 35 41.086 39.965 1.121 1 1 443 . 19 1 1 A 35 35 ASP N N 35 115.065 118.340 -3.275 1 1 444 . 19 1 1 A 36 36 GLU H H 36 7.474 8.181 -0.707 1 1 445 . 19 1 1 A 36 36 GLU HA H 36 4.275 4.114 0.161 1 1 450 . 19 1 1 A 36 36 GLU C C 36 178.261 178.414 -0.153 1 1 451 . 19 1 1 A 36 36 GLU CA C 36 59.046 59.344 -0.298 1 1 452 . 19 1 1 A 36 36 GLU CB C 36 29.283 29.100 0.183 1 1 454 . 19 1 1 A 36 36 GLU N N 36 121.291 120.058 1.233 1 1 455 . 19 1 1 A 37 37 ALA H H 37 7.674 7.675 -0.001 1 1 456 . 19 1 1 A 37 37 ALA HA H 37 3.887 4.043 -0.156 1 1 460 . 19 1 1 A 37 37 ALA C C 37 179.161 179.576 -0.415 1 1 461 . 19 1 1 A 37 37 ALA CA C 37 55.091 54.978 0.113 1 1 462 . 19 1 1 A 37 37 ALA CB C 37 17.925 18.505 -0.580 1 1 463 . 19 1 1 A 37 37 ALA N N 37 120.365 121.991 -1.626 1 1 464 . 19 1 1 A 38 38 TYR H H 38 8.175 8.093 0.082 1 1 465 . 19 1 1 A 38 38 TYR HA H 38 4.422 4.367 0.055 1 1 472 . 19 1 1 A 38 38 TYR C C 38 178.497 178.506 -0.009 1 1 473 . 19 1 1 A 38 38 TYR CA C 38 62.662 61.164 1.498 1 1 474 . 19 1 1 A 38 38 TYR CB C 38 37.996 37.927 0.069 1 1 477 . 19 1 1 A 38 38 TYR N N 38 117.027 116.026 1.001 1 1 478 . 19 1 1 A 39 39 TYR H H 39 8.321 8.095 0.226 1 1 479 . 19 1 1 A 39 39 TYR HA H 39 4.413 4.293 0.120 1 1 486 . 19 1 1 A 39 39 TYR C C 39 176.311 177.198 -0.887 1 1 487 . 19 1 1 A 39 39 TYR CA C 39 60.856 61.880 -1.024 1 1 488 . 19 1 1 A 39 39 TYR CB C 39 38.015 39.092 -1.077 1 1 491 . 19 1 1 A 39 39 TYR N N 39 120.527 120.888 -0.361 1 1 492 . 19 1 1 A 40 40 LEU H H 40 8.508 8.739 -0.231 1 1 493 . 19 1 1 A 40 40 LEU HA H 40 3.585 3.840 -0.255 1 1 503 . 19 1 1 A 40 40 LEU C C 40 178.857 179.214 -0.357 1 1 504 . 19 1 1 A 40 40 LEU CA C 40 57.723 57.810 -0.087 1 1 505 . 19 1 1 A 40 40 LEU CB C 40 41.543 41.259 0.284 1 1 509 . 19 1 1 A 40 40 LEU N N 40 118.925 120.488 -1.563 1 1 510 . 19 1 1 A 41 41 MET H H 41 8.661 8.319 0.342 1 1 511 . 19 1 1 A 41 41 MET HA H 41 3.611 4.067 -0.456 1 1 519 . 19 1 1 A 41 41 MET C C 41 178.325 179.081 -0.756 1 1 520 . 19 1 1 A 41 41 MET CA C 41 59.498 59.225 0.273 1 1 521 . 19 1 1 A 41 41 MET CB C 41 32.806 32.743 0.063 1 1 524 . 19 1 1 A 41 41 MET N N 41 119.892 117.797 2.095 1 1 525 . 19 1 1 A 42 42 GLY H H 42 8.531 8.285 0.246 1 1 526 . 19 1 1 A 42 42 GLY HA2 H 42 3.564 3.422 0.142 1 1 527 . 19 1 1 A 42 42 GLY HA3 H 42 3.164 3.676 -0.512 1 1 528 . 19 1 1 A 42 42 GLY C C 42 174.726 176.643 -1.917 1 1 529 . 19 1 1 A 42 42 GLY CA C 42 48.104 47.024 1.080 1 1 530 . 19 1 1 A 42 42 GLY N N 42 107.064 108.617 -1.553 1 1 531 . 19 1 1 A 43 43 ASN H H 43 8.260 7.585 0.675 1 1 532 . 19 1 1 A 43 43 ASN HA H 43 4.334 4.494 -0.160 1 1 537 . 19 1 1 A 43 43 ASN C C 43 178.111 177.749 0.362 1 1 538 . 19 1 1 A 43 43 ASN CA C 43 54.966 56.241 -1.275 1 1 539 . 19 1 1 A 43 43 ASN CB C 43 36.326 37.988 -1.662 1 1 540 . 19 1 1 A 43 43 ASN N N 43 120.815 120.385 0.430 1 1 542 . 19 1 1 A 44 44 ALA H H 44 8.487 7.807 0.680 1 1 543 . 19 1 1 A 44 44 ALA HA H 44 3.788 3.974 -0.186 1 1 547 . 19 1 1 A 44 44 ALA C C 44 178.389 179.503 -1.114 1 1 548 . 19 1 1 A 44 44 ALA CA C 44 55.152 55.005 0.147 1 1 549 . 19 1 1 A 44 44 ALA CB C 44 16.897 17.967 -1.070 1 1 550 . 19 1 1 A 44 44 ALA N N 44 125.304 123.175 2.129 1 1 551 . 19 1 1 A 45 45 TYR H H 45 8.160 8.281 -0.121 1 1 552 . 19 1 1 A 45 45 TYR HA H 45 4.168 4.252 -0.084 1 1 559 . 19 1 1 A 45 45 TYR C C 45 178.775 178.228 0.547 1 1 560 . 19 1 1 A 45 45 TYR CA C 45 62.995 61.871 1.124 1 1 561 . 19 1 1 A 45 45 TYR CB C 45 36.944 37.595 -0.651 1 1 564 . 19 1 1 A 45 45 TYR N N 45 115.156 116.136 -0.980 1 1 565 . 19 1 1 A 46 46 ARG H H 46 8.901 8.102 0.799 1 1 566 . 19 1 1 A 46 46 ARG HA H 46 3.677 3.648 0.029 1 1 573 . 19 1 1 A 46 46 ARG C C 46 179.396 178.680 0.716 1 1 574 . 19 1 1 A 46 46 ARG CA C 46 59.924 59.224 0.700 1 1 575 . 19 1 1 A 46 46 ARG CB C 46 30.131 29.889 0.242 1 1 578 . 19 1 1 A 46 46 ARG N N 46 121.781 121.434 0.347 1 1 579 . 19 1 1 A 47 47 LYS H H 47 7.813 7.538 0.275 1 1 580 . 19 1 1 A 47 47 LYS HA H 47 4.058 4.011 0.047 1 1 589 . 19 1 1 A 47 47 LYS C C 47 178.111 179.422 -1.311 1 1 590 . 19 1 1 A 47 47 LYS CA C 47 58.950 58.664 0.286 1 1 591 . 19 1 1 A 47 47 LYS CB C 47 31.906 31.770 0.136 1 1 595 . 19 1 1 A 47 47 LYS N N 47 120.818 118.872 1.946 1 1 596 . 19 1 1 A 48 48 LEU H H 48 7.312 7.227 0.085 1 1 597 . 19 1 1 A 48 48 LEU HA H 48 4.228 4.027 0.201 1 1 607 . 19 1 1 A 48 48 LEU C C 48 177.254 176.851 0.403 1 1 608 . 19 1 1 A 48 48 LEU CA C 48 54.908 56.487 -1.579 1 1 609 . 19 1 1 A 48 48 LEU CB C 48 42.475 42.636 -0.161 1 1 613 . 19 1 1 A 48 48 LEU N N 48 116.553 117.756 -1.203 1 1 614 . 19 1 1 A 49 49 GLY H H 49 7.564 8.133 -0.569 1 1 615 . 19 1 1 A 49 49 GLY HA2 H 49 3.607 3.551 0.056 1 1 616 . 19 1 1 A 49 49 GLY HA3 H 49 2.316 3.874 -1.558 1 1 617 . 19 1 1 A 49 49 GLY C C 49 172.900 173.615 -0.715 1 1 618 . 19 1 1 A 49 49 GLY CA C 49 44.184 44.553 -0.369 1 1 619 . 19 1 1 A 49 49 GLY N N 49 107.326 105.684 1.642 1 1 620 . 19 1 1 A 50 50 ASP H H 50 7.670 7.763 -0.093 1 1 621 . 19 1 1 A 50 50 ASP HA H 50 4.564 4.591 -0.027 1 1 624 . 19 1 1 A 50 50 ASP C C 50 175.681 176.250 -0.569 1 1 625 . 19 1 1 A 50 50 ASP CA C 50 51.083 52.987 -1.904 1 1 626 . 19 1 1 A 50 50 ASP CB C 50 39.169 40.586 -1.417 1 1 627 . 19 1 1 A 50 50 ASP N N 50 120.356 120.011 0.345 1 1 628 . 19 1 1 A 51 51 TRP H H 51 6.939 8.194 -1.255 1 1 629 . 19 1 1 A 51 51 TRP HA H 51 4.314 4.471 -0.157 1 1 638 . 19 1 1 A 51 51 TRP C C 51 178.047 178.877 -0.830 1 1 639 . 19 1 1 A 51 51 TRP CA C 51 58.473 59.811 -1.338 1 1 640 . 19 1 1 A 51 51 TRP CB C 51 30.099 29.311 0.788 1 1 646 . 19 1 1 A 51 51 TRP N N 51 121.784 125.583 -3.799 1 1 648 . 19 1 1 A 52 52 GLN H H 52 8.677 8.162 0.515 1 1 649 . 19 1 1 A 52 52 GLN HA H 52 3.960 3.888 0.072 1 1 656 . 19 1 1 A 52 52 GLN C C 52 178.454 178.940 -0.486 1 1 657 . 19 1 1 A 52 52 GLN CA C 52 58.925 59.346 -0.421 1 1 658 . 19 1 1 A 52 52 GLN CB C 52 28.183 28.366 -0.183 1 1 660 . 19 1 1 A 52 52 GLN N N 52 117.018 118.903 -1.885 1 1 662 . 19 1 1 A 53 53 LYS H H 53 7.392 8.002 -0.610 1 1 663 . 19 1 1 A 53 53 LYS HA H 53 3.774 3.798 -0.024 1 1 672 . 19 1 1 A 53 53 LYS C C 53 180.361 178.709 1.652 1 1 673 . 19 1 1 A 53 53 LYS CA C 53 59.764 58.895 0.869 1 1 674 . 19 1 1 A 53 53 LYS CB C 53 30.802 31.555 -0.753 1 1 678 . 19 1 1 A 53 53 LYS N N 53 117.913 119.263 -1.350 1 1 679 . 19 1 1 A 54 54 ALA H H 54 8.223 7.438 0.785 1 1 680 . 19 1 1 A 54 54 ALA HA H 54 4.012 3.761 0.251 1 1 684 . 19 1 1 A 54 54 ALA C C 54 177.635 179.911 -2.276 1 1 685 . 19 1 1 A 54 54 ALA CA C 54 55.792 54.852 0.940 1 1 686 . 19 1 1 A 54 54 ALA CB C 54 17.045 17.798 -0.753 1 1 687 . 19 1 1 A 54 54 ALA N N 54 123.665 121.810 1.855 1 1 688 . 19 1 1 A 55 55 LEU H H 55 8.425 8.365 0.060 1 1 689 . 19 1 1 A 55 55 LEU HA H 55 4.010 3.997 0.013 1 1 699 . 19 1 1 A 55 55 LEU C C 55 179.568 179.204 0.364 1 1 700 . 19 1 1 A 55 55 LEU CA C 55 58.611 58.602 0.009 1 1 701 . 19 1 1 A 55 55 LEU CB C 55 41.500 41.713 -0.213 1 1 705 . 19 1 1 A 55 55 LEU N N 55 116.583 118.922 -2.339 1 1 706 . 19 1 1 A 56 56 ASN H H 56 8.284 8.533 -0.249 1 1 707 . 19 1 1 A 56 56 ASN HA H 56 4.360 4.474 -0.114 1 1 712 . 19 1 1 A 56 56 ASN C C 56 177.790 178.375 -0.585 1 1 713 . 19 1 1 A 56 56 ASN CA C 56 55.852 56.659 -0.807 1 1 714 . 19 1 1 A 56 56 ASN CB C 56 37.882 37.941 -0.059 1 1 715 . 19 1 1 A 56 56 ASN N N 56 117.763 118.103 -0.340 1 1 717 . 19 1 1 A 57 57 ASN H H 57 7.600 8.277 -0.677 1 1 718 . 19 1 1 A 57 57 ASN HA H 57 4.425 4.291 0.134 1 1 723 . 19 1 1 A 57 57 ASN C C 57 177.404 177.820 -0.416 1 1 724 . 19 1 1 A 57 57 ASN CA C 57 58.105 56.127 1.978 1 1 725 . 19 1 1 A 57 57 ASN CB C 57 38.931 38.495 0.436 1 1 726 . 19 1 1 A 57 57 ASN N N 57 118.927 117.806 1.121 1 1 728 . 19 1 1 A 58 58 TYR H H 58 8.838 8.186 0.652 1 1 729 . 19 1 1 A 58 58 TYR HA H 58 4.667 4.426 0.241 1 1 736 . 19 1 1 A 58 58 TYR C C 58 178.047 178.332 -0.285 1 1 737 . 19 1 1 A 58 58 TYR CA C 58 58.430 61.941 -3.511 1 1 738 . 19 1 1 A 58 58 TYR CB C 58 36.743 38.185 -1.442 1 1 741 . 19 1 1 A 58 58 TYR N N 58 118.473 118.778 -0.305 1 1 742 . 19 1 1 A 59 59 GLN H H 59 8.572 8.462 0.110 1 1 743 . 19 1 1 A 59 59 GLN HA H 59 4.022 3.988 0.034 1 1 750 . 19 1 1 A 59 59 GLN C C 59 178.040 178.067 -0.027 1 1 751 . 19 1 1 A 59 59 GLN CA C 59 59.054 58.861 0.193 1 1 752 . 19 1 1 A 59 59 GLN CB C 59 27.126 28.506 -1.380 1 1 754 . 19 1 1 A 59 59 GLN N N 59 118.483 120.316 -1.833 1 1 756 . 19 1 1 A 60 60 SER H H 60 7.696 7.932 -0.236 1 1 757 . 19 1 1 A 60 60 SER HA H 60 3.931 4.437 -0.506 1 1 760 . 19 1 1 A 60 60 SER C C 60 175.926 176.147 -0.221 1 1 761 . 19 1 1 A 60 60 SER CA C 60 62.121 61.516 0.605 1 1 762 . 19 1 1 A 60 60 SER CB C 60 61.244 62.313 -1.069 1 1 763 . 19 1 1 A 60 60 SER N N 60 116.103 116.848 -0.745 1 1 764 . 19 1 1 A 61 61 ALA H H 61 7.739 7.811 -0.072 1 1 765 . 19 1 1 A 61 61 ALA HA H 61 4.075 4.394 -0.319 1 1 769 . 19 1 1 A 61 61 ALA C C 61 178.686 180.011 -1.325 1 1 770 . 19 1 1 A 61 61 ALA CA C 61 56.019 55.187 0.832 1 1 771 . 19 1 1 A 61 61 ALA CB C 61 18.790 18.446 0.344 1 1 772 . 19 1 1 A 61 61 ALA N N 61 122.319 123.127 -0.808 1 1 773 . 19 1 1 A 62 62 ILE H H 62 7.991 8.024 -0.033 1 1 774 . 19 1 1 A 62 62 ILE HA H 62 3.857 3.697 0.160 1 1 784 . 19 1 1 A 62 62 ILE C C 62 178.131 178.213 -0.082 1 1 785 . 19 1 1 A 62 62 ILE CA C 62 63.418 65.278 -1.860 1 1 786 . 19 1 1 A 62 62 ILE CB C 62 39.119 37.782 1.337 1 1 790 . 19 1 1 A 62 62 ILE N N 62 117.981 118.690 -0.709 1 1 791 . 19 1 1 A 63 63 GLU H H 63 7.988 8.770 -0.782 1 1 792 . 19 1 1 A 63 63 GLU HA H 63 3.902 4.155 -0.253 1 1 797 . 19 1 1 A 63 63 GLU C C 63 178.564 178.574 -0.010 1 1 798 . 19 1 1 A 63 63 GLU CA C 63 58.594 58.739 -0.145 1 1 799 . 19 1 1 A 63 63 GLU CB C 63 29.278 28.387 0.891 1 1 801 . 19 1 1 A 63 63 GLU N N 63 118.190 120.503 -2.313 1 1 802 . 19 1 1 A 64 64 LEU H H 64 7.024 7.126 -0.102 1 1 803 . 19 1 1 A 64 64 LEU HA H 64 4.347 4.303 0.044 1 1 813 . 19 1 1 A 64 64 LEU C C 64 177.496 177.142 0.354 1 1 814 . 19 1 1 A 64 64 LEU CA C 64 55.810 56.311 -0.501 1 1 815 . 19 1 1 A 64 64 LEU CB C 64 43.746 43.630 0.116 1 1 819 . 19 1 1 A 64 64 LEU N N 64 116.109 118.714 -2.605 1 1 820 . 19 1 1 A 65 65 ASN H H 65 8.270 8.570 -0.300 1 1 821 . 19 1 1 A 65 65 ASN HA H 65 5.068 5.121 -0.053 1 1 826 . 19 1 1 A 65 65 ASN C C 65 172.512 173.912 -1.400 1 1 827 . 19 1 1 A 65 65 ASN CA C 65 49.457 49.808 -0.351 1 1 828 . 19 1 1 A 65 65 ASN CB C 65 38.936 40.129 -1.193 1 1 829 . 19 1 1 A 65 65 ASN N N 65 116.544 115.397 1.147 1 1 831 . 19 1 1 A 66 66 PRO HA H 66 4.467 4.552 -0.085 1 1 838 . 19 1 1 A 66 66 PRO C C 66 176.054 177.076 -1.022 1 1 839 . 19 1 1 A 66 66 PRO CA C 66 63.894 64.064 -0.170 1 1 840 . 19 1 1 A 66 66 PRO CB C 66 31.935 31.762 0.173 1 1 843 . 19 1 1 A 67 67 ASP H H 67 7.326 7.981 -0.655 1 1 844 . 19 1 1 A 67 67 ASP HA H 67 4.863 4.795 0.068 1 1 847 . 19 1 1 A 67 67 ASP C C 67 175.647 175.590 0.057 1 1 848 . 19 1 1 A 67 67 ASP CA C 67 53.273 53.822 -0.549 1 1 849 . 19 1 1 A 67 67 ASP CB C 67 41.453 40.841 0.612 1 1 850 . 19 1 1 A 67 67 ASP N N 67 114.579 117.093 -2.514 1 1 851 . 19 1 1 A 68 68 SER H H 68 7.670 7.242 0.428 1 1 852 . 19 1 1 A 68 68 SER HA H 68 4.315 4.577 -0.262 1 1 856 . 19 1 1 A 68 68 SER C C 68 175.108 174.605 0.503 1 1 857 . 19 1 1 A 68 68 SER CA C 68 56.422 56.714 -0.292 1 1 858 . 19 1 1 A 68 68 SER CB C 68 63.880 63.242 0.638 1 1 859 . 19 1 1 A 68 68 SER N N 68 115.624 114.671 0.953 1 1 860 . 19 1 1 A 69 69 PRO HA H 69 4.588 4.397 0.191 1 1 867 . 19 1 1 A 69 69 PRO C C 69 177.083 177.273 -0.190 1 1 868 . 19 1 1 A 69 69 PRO CA C 69 63.870 64.092 -0.222 1 1 869 . 19 1 1 A 69 69 PRO CB C 69 30.612 31.330 -0.718 1 1 872 . 19 1 1 A 70 70 ALA H H 70 8.442 8.061 0.381 1 1 873 . 19 1 1 A 70 70 ALA HA H 70 3.679 4.257 -0.578 1 1 877 . 19 1 1 A 70 70 ALA C C 70 177.667 179.929 -2.262 1 1 878 . 19 1 1 A 70 70 ALA CA C 70 54.025 54.418 -0.393 1 1 879 . 19 1 1 A 70 70 ALA CB C 70 20.741 18.862 1.879 1 1 880 . 19 1 1 A 70 70 ALA N N 70 121.749 120.909 0.840 1 1 881 . 19 1 1 A 71 71 LEU H H 71 7.956 7.957 -0.001 1 1 882 . 19 1 1 A 71 71 LEU HA H 71 3.883 4.068 -0.185 1 1 892 . 19 1 1 A 71 71 LEU C C 71 179.241 178.748 0.493 1 1 893 . 19 1 1 A 71 71 LEU CA C 71 58.602 58.141 0.461 1 1 894 . 19 1 1 A 71 71 LEU CB C 71 41.987 41.573 0.414 1 1 898 . 19 1 1 A 71 71 LEU N N 71 119.448 121.005 -1.557 1 1 899 . 19 1 1 A 72 72 GLN H H 72 7.464 7.851 -0.387 1 1 900 . 19 1 1 A 72 72 GLN HA H 72 4.049 4.087 -0.038 1 1 907 . 19 1 1 A 72 72 GLN C C 72 178.432 178.379 0.053 1 1 908 . 19 1 1 A 72 72 GLN CA C 72 58.626 58.907 -0.281 1 1 909 . 19 1 1 A 72 72 GLN CB C 72 27.557 27.976 -0.419 1 1 911 . 19 1 1 A 72 72 GLN N N 72 117.976 117.619 0.357 1 1 913 . 19 1 1 A 73 73 ALA H H 73 7.296 7.713 -0.417 1 1 914 . 19 1 1 A 73 73 ALA HA H 73 4.017 3.900 0.117 1 1 918 . 19 1 1 A 73 73 ALA C C 73 178.775 179.028 -0.253 1 1 919 . 19 1 1 A 73 73 ALA CA C 73 54.688 54.899 -0.211 1 1 920 . 19 1 1 A 73 73 ALA CB C 73 17.473 17.658 -0.185 1 1 921 . 19 1 1 A 73 73 ALA N N 73 123.083 122.628 0.455 1 1 922 . 19 1 1 A 74 74 ARG H H 74 8.328 8.154 0.174 1 1 923 . 19 1 1 A 74 74 ARG HA H 74 3.820 4.178 -0.358 1 1 931 . 19 1 1 A 74 74 ARG C C 74 177.297 179.103 -1.806 1 1 932 . 19 1 1 A 74 74 ARG CA C 74 59.805 59.477 0.328 1 1 933 . 19 1 1 A 74 74 ARG CB C 74 29.773 30.000 -0.227 1 1 936 . 19 1 1 A 74 74 ARG N N 74 117.535 118.267 -0.732 1 1 938 . 19 1 1 A 75 75 LYS H H 75 7.123 7.650 -0.527 1 1 939 . 19 1 1 A 75 75 LYS HA H 75 3.960 4.071 -0.111 1 1 948 . 19 1 1 A 75 75 LYS C C 75 178.071 178.945 -0.874 1 1 949 . 19 1 1 A 75 75 LYS CA C 75 59.488 59.190 0.298 1 1 950 . 19 1 1 A 75 75 LYS CB C 75 31.928 32.055 -0.127 1 1 954 . 19 1 1 A 75 75 LYS N N 75 119.136 118.171 0.965 1 1 955 . 19 1 1 A 76 76 MET H H 76 7.673 8.191 -0.518 1 1 956 . 19 1 1 A 76 76 MET HA H 76 4.205 4.081 0.124 1 1 964 . 19 1 1 A 76 76 MET C C 76 178.925 178.186 0.739 1 1 965 . 19 1 1 A 76 76 MET CA C 76 58.637 58.748 -0.111 1 1 966 . 19 1 1 A 76 76 MET CB C 76 32.344 32.255 0.089 1 1 969 . 19 1 1 A 76 76 MET N N 76 116.794 119.145 -2.351 1 1 970 . 19 1 1 A 77 77 VAL H H 77 7.928 8.227 -0.299 1 1 971 . 19 1 1 A 77 77 VAL HA H 77 3.601 3.440 0.161 1 1 979 . 19 1 1 A 77 77 VAL C C 77 177.318 178.762 -1.444 1 1 980 . 19 1 1 A 77 77 VAL CA C 77 66.468 66.682 -0.214 1 1 981 . 19 1 1 A 77 77 VAL CB C 77 31.477 31.538 -0.061 1 1 984 . 19 1 1 A 77 77 VAL N N 77 117.999 118.951 -0.952 1 1 985 . 19 1 1 A 78 78 MET H H 78 8.446 7.945 0.501 1 1 986 . 19 1 1 A 78 78 MET HA H 78 4.136 4.351 -0.215 1 1 994 . 19 1 1 A 78 78 MET C C 78 178.542 177.790 0.752 1 1 995 . 19 1 1 A 78 78 MET CA C 78 58.514 57.499 1.015 1 1 996 . 19 1 1 A 78 78 MET CB C 78 31.036 31.283 -0.247 1 1 999 . 19 1 1 A 78 78 MET N N 78 119.079 117.797 1.282 1 1 1000 . 19 1 1 A 79 79 ASP H H 79 8.202 8.214 -0.012 1 1 1001 . 19 1 1 A 79 79 ASP HA H 79 4.419 4.271 0.148 1 1 1004 . 19 1 1 A 79 79 ASP C C 79 179.097 178.342 0.755 1 1 1005 . 19 1 1 A 79 79 ASP CA C 79 57.277 57.355 -0.078 1 1 1006 . 19 1 1 A 79 79 ASP CB C 79 39.813 40.793 -0.980 1 1 1007 . 19 1 1 A 79 79 ASP N N 79 119.422 120.303 -0.881 1 1 1008 . 19 1 1 A 80 80 ILE H H 80 7.625 8.082 -0.457 1 1 1009 . 19 1 1 A 80 80 ILE HA H 80 3.643 3.590 0.053 1 1 1019 . 19 1 1 A 80 80 ILE C C 80 178.024 177.771 0.253 1 1 1020 . 19 1 1 A 80 80 ILE CA C 80 64.717 65.661 -0.944 1 1 1021 . 19 1 1 A 80 80 ILE CB C 80 37.661 37.759 -0.098 1 1 1025 . 19 1 1 A 80 80 ILE N N 80 121.750 119.370 2.380 1 1 1026 . 19 1 1 A 81 81 LEU H H 81 8.071 8.558 -0.487 1 1 1027 . 19 1 1 A 81 81 LEU HA H 81 3.908 4.180 -0.272 1 1 1037 . 19 1 1 A 81 81 LEU C C 81 178.852 178.909 -0.057 1 1 1038 . 19 1 1 A 81 81 LEU CA C 81 57.329 57.273 0.056 1 1 1039 . 19 1 1 A 81 81 LEU CB C 81 41.544 41.049 0.495 1 1 1043 . 19 1 1 A 81 81 LEU N N 81 119.850 117.946 1.904 1 1 1044 . 19 1 1 A 82 82 ASN H H 82 8.188 7.702 0.486 1 1 1045 . 19 1 1 A 82 82 ASN HA H 82 4.417 3.950 0.467 1 1 1050 . 19 1 1 A 82 82 ASN C C 82 176.440 177.467 -1.027 1 1 1051 . 19 1 1 A 82 82 ASN CA C 82 55.011 55.746 -0.735 1 1 1052 . 19 1 1 A 82 82 ASN CB C 82 38.461 37.807 0.654 1 1 1053 . 19 1 1 A 82 82 ASN N N 82 116.186 117.630 -1.444 1 1 1055 . 19 1 1 A 83 83 PHE H H 83 7.779 7.966 -0.187 1 1 1056 . 19 1 1 A 83 83 PHE HA H 83 4.352 4.208 0.144 1 1 1064 . 19 1 1 A 83 83 PHE C C 83 176.767 174.629 2.138 1 1 1065 . 19 1 1 A 83 83 PHE CA C 83 59.557 61.468 -1.911 1 1 1066 . 19 1 1 A 83 83 PHE CB C 83 38.944 39.928 -0.984 1 1 1070 . 19 1 1 A 83 83 PHE N N 83 118.925 120.116 -1.191 1 1 1071 . 19 1 1 A 84 84 TYR H H 84 8.057 8.343 -0.286 1 1 1072 . 19 1 1 A 84 84 TYR HA H 84 4.388 4.725 -0.337 1 1 1079 . 19 1 1 A 84 84 TYR C C 84 176.233 175.382 0.851 1 1 1080 . 19 1 1 A 84 84 TYR CA C 84 59.261 55.491 3.770 1 1 1081 . 19 1 1 A 84 84 TYR CB C 84 38.503 40.930 -2.427 1 1 1084 . 19 1 1 A 84 84 TYR N N 84 118.223 113.679 4.544 1 1 1085 . 19 1 1 A 85 85 ASN H H 85 8.192 9.196 -1.004 1 1 1086 . 19 1 1 A 85 85 ASN HA H 85 4.679 4.391 0.288 1 1 1091 . 19 1 1 A 85 85 ASN C C 85 175.367 175.688 -0.321 1 1 1092 . 19 1 1 A 85 85 ASN CA C 85 53.261 53.524 -0.263 1 1 1093 . 19 1 1 A 85 85 ASN CB C 85 38.501 37.588 0.913 1 1 1094 . 19 1 1 A 85 85 ASN N N 85 118.935 120.062 -1.127 1 1 1096 . 19 1 1 A 86 86 LYS H H 86 8.151 7.879 0.272 1 1 1097 . 19 1 1 A 86 86 LYS HA H 86 4.151 4.283 -0.132 1 1 1106 . 19 1 1 A 86 86 LYS C C 86 176.981 178.577 -1.596 1 1 1107 . 19 1 1 A 86 86 LYS CA C 86 57.714 58.629 -0.915 1 1 1108 . 19 1 1 A 86 86 LYS CB C 86 32.368 32.253 0.115 1 1 1112 . 19 1 1 A 86 86 LYS N N 86 121.533 119.491 2.042 1 1 1113 . 19 1 1 A 87 87 ASP H H 87 8.269 8.239 0.030 1 1 1114 . 19 1 1 A 87 87 ASP HA H 87 4.553 4.385 0.168 1 1 1117 . 19 1 1 A 87 87 ASP C C 87 177.209 178.149 -0.940 1 1 1118 . 19 1 1 A 87 87 ASP CA C 87 55.538 57.205 -1.667 1 1 1119 . 19 1 1 A 87 87 ASP CB C 87 40.677 41.298 -0.621 1 1 1120 . 19 1 1 A 87 87 ASP N N 87 119.408 119.303 0.105 1 1 1121 . 19 1 1 A 88 88 MET H H 88 7.941 7.840 0.101 1 1 1122 . 19 1 1 A 88 88 MET HA H 88 4.257 4.263 -0.006 1 1 1130 . 19 1 1 A 88 88 MET C C 88 176.851 177.929 -1.078 1 1 1131 . 19 1 1 A 88 88 MET CA C 88 56.461 58.148 -1.687 1 1 1132 . 19 1 1 A 88 88 MET CB C 88 32.371 32.226 0.145 1 1 1135 . 19 1 1 A 88 88 MET N N 88 119.377 119.528 -0.151 1 1 1136 . 19 1 1 A 89 89 TYR H H 89 8.094 7.716 0.378 1 1 1137 . 19 1 1 A 89 89 TYR HA H 89 4.350 4.098 0.252 1 1 1144 . 19 1 1 A 89 89 TYR C C 89 176.252 178.036 -1.784 1 1 1145 . 19 1 1 A 89 89 TYR CA C 89 59.097 61.636 -2.539 1 1 1146 . 19 1 1 A 89 89 TYR CB C 89 38.051 38.571 -0.520 1 1 1149 . 19 1 1 A 89 89 TYR N N 89 119.418 121.161 -1.743 1 1 1150 . 19 1 1 A 90 90 ASN H H 90 8.244 8.940 -0.696 1 1 1151 . 19 1 1 A 90 90 ASN HA H 90 4.573 4.257 0.316 1 1 1156 . 19 1 1 A 90 90 ASN C C 90 175.907 175.977 -0.070 1 1 1157 . 19 1 1 A 90 90 ASN CA C 90 53.867 53.701 0.166 1 1 1158 . 19 1 1 A 90 90 ASN CB C 90 38.479 36.844 1.635 1 1 1159 . 19 1 1 A 90 90 ASN N N 90 118.918 116.542 2.376 1 1 1161 . 19 1 1 A 91 91 GLN H H 91 8.176 7.751 0.425 1 1 1162 . 19 1 1 A 91 91 GLN HA H 91 4.216 4.160 0.056 1 1 1169 . 19 1 1 A 91 91 GLN C C 91 176.568 177.433 -0.865 1 1 1170 . 19 1 1 A 91 91 GLN CA C 91 56.600 57.647 -1.047 1 1 1171 . 19 1 1 A 91 91 GLN CB C 91 28.859 28.903 -0.044 1 1 1173 . 19 1 1 A 91 91 GLN N N 91 119.648 118.764 0.884 1 1 1175 . 19 1 1 A 92 92 LEU H H 92 8.015 7.546 0.469 1 1 1176 . 19 1 1 A 92 92 LEU HA H 92 4.214 4.121 0.093 1 1 1186 . 19 1 1 A 92 92 LEU C C 92 177.661 176.454 1.207 1 1 1187 . 19 1 1 A 92 92 LEU CA C 92 55.550 56.888 -1.338 1 1 1188 . 19 1 1 A 92 92 LEU CB C 92 41.994 41.529 0.465 1 1 1192 . 19 1 1 A 92 92 LEU N N 92 121.059 115.141 5.918 1 1 1193 . 19 1 1 A 93 93 GLU H H 93 8.132 7.457 0.675 1 1 1194 . 19 1 1 A 93 93 GLU HA H 93 4.099 4.315 -0.216 1 1 1199 . 19 1 1 A 93 93 GLU C C 93 176.461 174.993 1.468 1 1 1200 . 19 1 1 A 93 93 GLU CA C 93 56.838 55.200 1.638 1 1 1201 . 19 1 1 A 93 93 GLU CB C 93 29.803 29.579 0.224 1 1 1203 . 19 1 1 A 93 93 GLU N N 93 119.896 120.503 -0.607 1 1 1204 . 19 1 1 A 94 94 HIS H H 94 8.134 8.866 -0.732 1 1 1205 . 19 1 1 A 94 94 HIS C C 94 174.994 173.877 1.117 1 1 1206 . 19 1 1 A 94 94 HIS CA C 94 56.075 55.127 0.948 1 1 1207 . 19 1 1 A 94 94 HIS CB C 94 29.997 28.562 1.435 1 1 1 . 20 1 1 A 2 2 ASP HA H 2 4.708 4.336 0.372 1 1 4 . 20 1 1 A 2 2 ASP C C 2 176.847 175.929 0.918 1 1 5 . 20 1 1 A 2 2 ASP CA C 2 53.800 55.612 -1.812 1 1 6 . 20 1 1 A 2 2 ASP CB C 2 40.922 38.883 2.039 1 1 7 . 20 1 1 A 3 3 GLN H H 3 9.117 8.049 1.068 1 1 8 . 20 1 1 A 3 3 GLN HA H 3 4.139 4.050 0.089 1 1 15 . 20 1 1 A 3 3 GLN C C 3 177.725 178.222 -0.497 1 1 16 . 20 1 1 A 3 3 GLN CA C 3 58.612 58.654 -0.042 1 1 17 . 20 1 1 A 3 3 GLN CB C 3 28.880 28.402 0.478 1 1 19 . 20 1 1 A 3 3 GLN N N 3 124.129 117.925 6.204 1 1 21 . 20 1 1 A 4 4 LEU H H 4 8.285 8.152 0.133 1 1 22 . 20 1 1 A 4 4 LEU HA H 4 3.947 3.712 0.235 1 1 32 . 20 1 1 A 4 4 LEU C C 4 178.111 179.291 -1.180 1 1 33 . 20 1 1 A 4 4 LEU CA C 4 56.421 57.807 -1.386 1 1 34 . 20 1 1 A 4 4 LEU CB C 4 40.690 41.120 -0.430 1 1 38 . 20 1 1 A 4 4 LEU N N 4 117.977 119.125 -1.148 1 1 39 . 20 1 1 A 5 5 LYS H H 5 7.624 8.023 -0.399 1 1 40 . 20 1 1 A 5 5 LYS HA H 5 3.837 3.987 -0.150 1 1 49 . 20 1 1 A 5 5 LYS C C 5 178.775 179.112 -0.337 1 1 50 . 20 1 1 A 5 5 LYS CA C 5 59.939 59.284 0.655 1 1 51 . 20 1 1 A 5 5 LYS CB C 5 32.344 32.063 0.281 1 1 55 . 20 1 1 A 5 5 LYS N N 5 121.000 120.375 0.625 1 1 56 . 20 1 1 A 6 6 THR H H 6 7.852 7.709 0.143 1 1 57 . 20 1 1 A 6 6 THR HA H 6 3.908 3.927 -0.019 1 1 62 . 20 1 1 A 6 6 THR C C 6 176.483 176.507 -0.024 1 1 63 . 20 1 1 A 6 6 THR CA C 6 66.062 66.955 -0.893 1 1 64 . 20 1 1 A 6 6 THR CB C 6 68.255 68.097 0.158 1 1 66 . 20 1 1 A 6 6 THR N N 6 115.606 117.414 -1.808 1 1 67 . 20 1 1 A 7 7 ILE H H 7 7.791 7.833 -0.042 1 1 68 . 20 1 1 A 7 7 ILE HA H 7 3.422 3.537 -0.115 1 1 78 . 20 1 1 A 7 7 ILE C C 7 177.219 177.767 -0.548 1 1 79 . 20 1 1 A 7 7 ILE CA C 7 65.799 65.132 0.667 1 1 80 . 20 1 1 A 7 7 ILE CB C 7 37.619 37.565 0.054 1 1 84 . 20 1 1 A 7 7 ILE N N 7 122.292 121.289 1.003 1 1 85 . 20 1 1 A 8 8 LYS H H 8 8.233 8.111 0.122 1 1 86 . 20 1 1 A 8 8 LYS HA H 8 3.721 3.732 -0.011 1 1 95 . 20 1 1 A 8 8 LYS C C 8 179.054 179.941 -0.887 1 1 96 . 20 1 1 A 8 8 LYS CA C 8 60.378 60.480 -0.102 1 1 97 . 20 1 1 A 8 8 LYS CB C 8 31.990 31.946 0.044 1 1 101 . 20 1 1 A 8 8 LYS N N 8 119.853 118.606 1.247 1 1 102 . 20 1 1 A 9 9 GLU H H 9 7.677 7.980 -0.303 1 1 103 . 20 1 1 A 9 9 GLU HA H 9 4.138 3.984 0.154 1 1 108 . 20 1 1 A 9 9 GLU C C 9 178.839 179.170 -0.331 1 1 109 . 20 1 1 A 9 9 GLU CA C 9 59.045 58.987 0.058 1 1 110 . 20 1 1 A 9 9 GLU CB C 9 28.877 29.209 -0.332 1 1 112 . 20 1 1 A 9 9 GLU N N 9 118.933 120.653 -1.720 1 1 113 . 20 1 1 A 10 10 LEU H H 10 7.996 7.961 0.035 1 1 114 . 20 1 1 A 10 10 LEU HA H 10 4.027 4.021 0.006 1 1 124 . 20 1 1 A 10 10 LEU C C 10 179.717 179.145 0.572 1 1 125 . 20 1 1 A 10 10 LEU CA C 10 58.212 57.957 0.255 1 1 126 . 20 1 1 A 10 10 LEU CB C 10 41.994 41.703 0.291 1 1 130 . 20 1 1 A 10 10 LEU N N 10 120.361 120.294 0.067 1 1 131 . 20 1 1 A 11 11 ILE H H 11 8.059 8.221 -0.162 1 1 132 . 20 1 1 A 11 11 ILE HA H 11 3.233 3.471 -0.238 1 1 142 . 20 1 1 A 11 11 ILE C C 11 179.525 178.299 1.226 1 1 143 . 20 1 1 A 11 11 ILE CA C 11 65.782 64.806 0.976 1 1 144 . 20 1 1 A 11 11 ILE CB C 11 37.620 37.265 0.355 1 1 148 . 20 1 1 A 11 11 ILE N N 11 118.455 119.612 -1.157 1 1 149 . 20 1 1 A 12 12 ASN H H 12 8.219 8.435 -0.216 1 1 150 . 20 1 1 A 12 12 ASN HA H 12 4.355 4.475 -0.120 1 1 155 . 20 1 1 A 12 12 ASN C C 12 177.168 177.112 0.056 1 1 156 . 20 1 1 A 12 12 ASN CA C 12 55.945 56.327 -0.382 1 1 157 . 20 1 1 A 12 12 ASN CB C 12 38.012 37.773 0.239 1 1 158 . 20 1 1 A 12 12 ASN N N 12 120.732 118.496 2.236 1 1 160 . 20 1 1 A 13 13 GLN H H 13 8.028 7.644 0.384 1 1 161 . 20 1 1 A 13 13 GLN HA H 13 4.295 4.178 0.117 1 1 168 . 20 1 1 A 13 13 GLN C C 13 176.418 176.121 0.297 1 1 169 . 20 1 1 A 13 13 GLN CA C 13 55.821 55.293 0.528 1 1 170 . 20 1 1 A 13 13 GLN CB C 13 28.852 28.148 0.704 1 1 172 . 20 1 1 A 13 13 GLN N N 13 116.080 114.125 1.955 1 1 174 . 20 1 1 A 14 14 GLY H H 14 7.853 7.892 -0.039 1 1 175 . 20 1 1 A 14 14 GLY HA2 H 14 4.337 3.966 0.371 1 1 176 . 20 1 1 A 14 14 GLY HA3 H 14 3.511 3.977 -0.466 1 1 177 . 20 1 1 A 14 14 GLY C C 14 174.233 173.843 0.390 1 1 178 . 20 1 1 A 14 14 GLY CA C 14 45.063 45.083 -0.020 1 1 179 . 20 1 1 A 14 14 GLY N N 14 107.118 109.317 -2.199 1 1 180 . 20 1 1 A 15 15 ASP H H 15 8.325 8.266 0.059 1 1 181 . 20 1 1 A 15 15 ASP HA H 15 4.973 4.627 0.346 1 1 184 . 20 1 1 A 15 15 ASP C C 15 176.427 176.652 -0.225 1 1 185 . 20 1 1 A 15 15 ASP CA C 15 51.828 52.524 -0.696 1 1 186 . 20 1 1 A 15 15 ASP CB C 15 38.583 39.194 -0.611 1 1 187 . 20 1 1 A 15 15 ASP N N 15 125.524 120.404 5.120 1 1 188 . 20 1 1 A 16 16 ILE H H 16 7.615 7.770 -0.155 1 1 189 . 20 1 1 A 16 16 ILE HA H 16 3.353 3.608 -0.255 1 1 199 . 20 1 1 A 16 16 ILE C C 16 177.618 177.627 -0.009 1 1 200 . 20 1 1 A 16 16 ILE CA C 16 62.996 65.144 -2.148 1 1 201 . 20 1 1 A 16 16 ILE CB C 16 35.856 37.739 -1.883 1 1 205 . 20 1 1 A 16 16 ILE N N 16 119.875 125.080 -5.205 1 1 206 . 20 1 1 A 17 17 GLU H H 17 8.844 8.281 0.563 1 1 207 . 20 1 1 A 17 17 GLU HA H 17 3.887 3.840 0.047 1 1 212 . 20 1 1 A 17 17 GLU C C 17 179.739 179.632 0.107 1 1 213 . 20 1 1 A 17 17 GLU CA C 17 60.364 59.783 0.581 1 1 214 . 20 1 1 A 17 17 GLU CB C 17 28.670 29.387 -0.717 1 1 216 . 20 1 1 A 17 17 GLU N N 17 120.080 118.955 1.125 1 1 217 . 20 1 1 A 18 18 ASN H H 18 7.768 8.095 -0.327 1 1 218 . 20 1 1 A 18 18 ASN HA H 18 4.535 4.403 0.132 1 1 223 . 20 1 1 A 18 18 ASN C C 18 178.197 177.698 0.499 1 1 224 . 20 1 1 A 18 18 ASN CA C 18 55.682 56.252 -0.570 1 1 225 . 20 1 1 A 18 18 ASN CB C 18 37.615 37.984 -0.369 1 1 226 . 20 1 1 A 18 18 ASN N N 18 116.056 118.518 -2.462 1 1 228 . 20 1 1 A 19 19 ALA H H 19 7.989 7.571 0.418 1 1 229 . 20 1 1 A 19 19 ALA HA H 19 3.870 4.072 -0.202 1 1 233 . 20 1 1 A 19 19 ALA C C 19 178.732 180.069 -1.337 1 1 234 . 20 1 1 A 19 19 ALA CA C 19 55.543 54.998 0.545 1 1 235 . 20 1 1 A 19 19 ALA CB C 19 18.362 18.189 0.173 1 1 236 . 20 1 1 A 19 19 ALA N N 19 123.900 122.858 1.042 1 1 237 . 20 1 1 A 20 20 LEU H H 20 8.589 8.527 0.062 1 1 238 . 20 1 1 A 20 20 LEU HA H 20 3.856 3.762 0.094 1 1 248 . 20 1 1 A 20 20 LEU C C 20 179.139 179.188 -0.049 1 1 249 . 20 1 1 A 20 20 LEU CA C 20 58.169 58.072 0.097 1 1 250 . 20 1 1 A 20 20 LEU CB C 20 41.569 41.466 0.103 1 1 254 . 20 1 1 A 20 20 LEU N N 20 117.052 119.072 -2.020 1 1 255 . 20 1 1 A 21 21 GLN H H 21 7.439 8.661 -1.222 1 1 256 . 20 1 1 A 21 21 GLN HA H 21 4.029 4.027 0.002 1 1 263 . 20 1 1 A 21 21 GLN C C 21 178.411 177.800 0.611 1 1 264 . 20 1 1 A 21 21 GLN CA C 21 58.730 58.422 0.308 1 1 265 . 20 1 1 A 21 21 GLN CB C 21 28.002 27.622 0.380 1 1 267 . 20 1 1 A 21 21 GLN N N 21 118.218 117.344 0.874 1 1 269 . 20 1 1 A 22 22 ALA H H 22 7.848 7.727 0.121 1 1 270 . 20 1 1 A 22 22 ALA HA H 22 4.191 4.101 0.090 1 1 274 . 20 1 1 A 22 22 ALA C C 22 181.475 180.216 1.259 1 1 275 . 20 1 1 A 22 22 ALA CA C 22 54.631 54.595 0.036 1 1 276 . 20 1 1 A 22 22 ALA CB C 22 17.907 18.330 -0.423 1 1 277 . 20 1 1 A 22 22 ALA N N 22 121.474 122.255 -0.781 1 1 278 . 20 1 1 A 23 23 LEU H H 23 8.751 8.224 0.527 1 1 279 . 20 1 1 A 23 23 LEU HA H 23 3.906 3.983 -0.077 1 1 289 . 20 1 1 A 23 23 LEU C C 23 177.996 179.298 -1.302 1 1 290 . 20 1 1 A 23 23 LEU CA C 23 58.155 57.987 0.168 1 1 291 . 20 1 1 A 23 23 LEU CB C 23 42.020 41.549 0.471 1 1 295 . 20 1 1 A 23 23 LEU N N 23 122.246 120.401 1.845 1 1 296 . 20 1 1 A 24 24 GLU H H 24 8.247 8.543 -0.296 1 1 297 . 20 1 1 A 24 24 GLU HA H 24 3.971 4.025 -0.054 1 1 302 . 20 1 1 A 24 24 GLU C C 24 179.751 179.043 0.708 1 1 303 . 20 1 1 A 24 24 GLU CA C 24 59.506 58.898 0.608 1 1 304 . 20 1 1 A 24 24 GLU CB C 24 28.849 28.967 -0.118 1 1 306 . 20 1 1 A 24 24 GLU N N 24 119.875 118.065 1.810 1 1 307 . 20 1 1 A 25 25 GLU H H 25 7.736 7.942 -0.206 1 1 308 . 20 1 1 A 25 25 GLU HA H 25 4.013 4.075 -0.062 1 1 313 . 20 1 1 A 25 25 GLU C C 25 179.204 179.132 0.072 1 1 314 . 20 1 1 A 25 25 GLU CA C 25 59.058 59.385 -0.327 1 1 315 . 20 1 1 A 25 25 GLU CB C 25 29.238 29.445 -0.207 1 1 317 . 20 1 1 A 25 25 GLU N N 25 118.451 120.358 -1.907 1 1 318 . 20 1 1 A 26 26 PHE H H 26 8.389 8.235 0.154 1 1 319 . 20 1 1 A 26 26 PHE HA H 26 4.218 4.085 0.133 1 1 327 . 20 1 1 A 26 26 PHE C C 26 178.732 177.176 1.556 1 1 328 . 20 1 1 A 26 26 PHE CA C 26 61.020 61.282 -0.262 1 1 329 . 20 1 1 A 26 26 PHE CB C 26 39.383 39.504 -0.121 1 1 333 . 20 1 1 A 26 26 PHE N N 26 122.243 120.780 1.463 1 1 334 . 20 1 1 A 27 27 LEU H H 27 8.643 8.495 0.148 1 1 335 . 20 1 1 A 27 27 LEU HA H 27 3.666 3.922 -0.256 1 1 345 . 20 1 1 A 27 27 LEU C C 27 179.172 178.733 0.439 1 1 346 . 20 1 1 A 27 27 LEU CA C 27 57.728 57.334 0.394 1 1 347 . 20 1 1 A 27 27 LEU CB C 27 42.008 41.355 0.653 1 1 351 . 20 1 1 A 27 27 LEU N N 27 119.374 118.898 0.476 1 1 352 . 20 1 1 A 28 28 GLN H H 28 7.536 7.679 -0.143 1 1 353 . 20 1 1 A 28 28 GLN HA H 28 4.215 4.175 0.040 1 1 360 . 20 1 1 A 28 28 GLN C C 28 177.261 176.430 0.831 1 1 361 . 20 1 1 A 28 28 GLN CA C 28 57.287 57.804 -0.517 1 1 362 . 20 1 1 A 28 28 GLN CB C 28 28.832 29.300 -0.468 1 1 364 . 20 1 1 A 28 28 GLN N N 28 116.095 117.131 -1.036 1 1 366 . 20 1 1 A 29 29 THR H H 29 7.480 7.718 -0.238 1 1 367 . 20 1 1 A 29 29 THR HA H 29 4.332 4.372 -0.040 1 1 372 . 20 1 1 A 29 29 THR C C 29 174.092 173.767 0.325 1 1 373 . 20 1 1 A 29 29 THR CA C 29 62.533 62.318 0.215 1 1 374 . 20 1 1 A 29 29 THR CB C 29 70.435 70.362 0.073 1 1 376 . 20 1 1 A 29 29 THR N N 29 108.609 113.545 -4.936 1 1 377 . 20 1 1 A 30 30 GLU H H 30 7.935 7.240 0.695 1 1 378 . 20 1 1 A 30 30 GLU HA H 30 4.221 4.576 -0.355 1 1 383 . 20 1 1 A 30 30 GLU CA C 30 54.719 53.276 1.443 1 1 384 . 20 1 1 A 30 30 GLU CB C 30 28.002 29.552 -1.550 1 1 386 . 20 1 1 A 30 30 GLU N N 30 119.400 119.439 -0.039 1 1 387 . 20 1 1 A 31 31 PRO HA H 31 4.430 4.381 0.049 1 1 394 . 20 1 1 A 31 31 PRO C C 31 177.447 177.636 -0.189 1 1 395 . 20 1 1 A 31 31 PRO CA C 31 62.992 64.511 -1.519 1 1 396 . 20 1 1 A 31 31 PRO CB C 31 32.354 31.938 0.416 1 1 399 . 20 1 1 A 32 32 VAL H H 32 7.989 7.703 0.286 1 1 400 . 20 1 1 A 32 32 VAL HA H 32 4.211 4.115 0.096 1 1 408 . 20 1 1 A 32 32 VAL C C 32 176.778 177.033 -0.255 1 1 409 . 20 1 1 A 32 32 VAL CA C 32 62.755 63.858 -1.103 1 1 410 . 20 1 1 A 32 32 VAL CB C 32 32.697 32.472 0.225 1 1 412 . 20 1 1 A 32 32 VAL N N 32 118.439 115.886 2.553 1 1 413 . 20 1 1 A 33 33 GLY H H 33 8.764 7.962 0.802 1 1 414 . 20 1 1 A 33 33 GLY HA2 H 33 4.195 4.127 0.068 1 1 415 . 20 1 1 A 33 33 GLY HA3 H 33 4.195 4.285 -0.090 1 1 416 . 20 1 1 A 33 33 GLY C C 33 176.287 175.165 1.122 1 1 417 . 20 1 1 A 33 33 GLY CA C 33 45.917 45.413 0.504 1 1 418 . 20 1 1 A 33 33 GLY N N 33 111.588 108.687 2.901 1 1 419 . 20 1 1 A 34 34 LYS H H 34 8.296 7.820 0.476 1 1 420 . 20 1 1 A 34 34 LYS HA H 34 3.839 3.936 -0.097 1 1 429 . 20 1 1 A 34 34 LYS C C 34 177.040 178.927 -1.887 1 1 430 . 20 1 1 A 34 34 LYS CA C 34 59.883 59.587 0.296 1 1 431 . 20 1 1 A 34 34 LYS CB C 34 32.883 32.080 0.803 1 1 435 . 20 1 1 A 34 34 LYS N N 34 119.887 120.351 -0.464 1 1 436 . 20 1 1 A 35 35 ASP H H 35 9.065 8.650 0.415 1 1 437 . 20 1 1 A 35 35 ASP HA H 35 4.362 4.621 -0.259 1 1 440 . 20 1 1 A 35 35 ASP C C 35 177.018 178.468 -1.450 1 1 441 . 20 1 1 A 35 35 ASP CA C 35 57.636 57.335 0.301 1 1 442 . 20 1 1 A 35 35 ASP CB C 35 41.086 39.759 1.327 1 1 443 . 20 1 1 A 35 35 ASP N N 35 115.065 118.867 -3.802 1 1 444 . 20 1 1 A 36 36 GLU H H 36 7.474 8.328 -0.854 1 1 445 . 20 1 1 A 36 36 GLU HA H 36 4.275 4.095 0.180 1 1 450 . 20 1 1 A 36 36 GLU C C 36 178.261 178.395 -0.134 1 1 451 . 20 1 1 A 36 36 GLU CA C 36 59.046 59.460 -0.414 1 1 452 . 20 1 1 A 36 36 GLU CB C 36 29.283 29.623 -0.340 1 1 454 . 20 1 1 A 36 36 GLU N N 36 121.291 120.672 0.619 1 1 455 . 20 1 1 A 37 37 ALA H H 37 7.674 7.529 0.145 1 1 456 . 20 1 1 A 37 37 ALA HA H 37 3.887 4.028 -0.141 1 1 460 . 20 1 1 A 37 37 ALA C C 37 179.161 179.546 -0.385 1 1 461 . 20 1 1 A 37 37 ALA CA C 37 55.091 54.900 0.191 1 1 462 . 20 1 1 A 37 37 ALA CB C 37 17.925 18.136 -0.211 1 1 463 . 20 1 1 A 37 37 ALA N N 37 120.365 122.725 -2.360 1 1 464 . 20 1 1 A 38 38 TYR H H 38 8.175 8.257 -0.082 1 1 465 . 20 1 1 A 38 38 TYR HA H 38 4.422 4.362 0.060 1 1 472 . 20 1 1 A 38 38 TYR C C 38 178.497 178.439 0.058 1 1 473 . 20 1 1 A 38 38 TYR CA C 38 62.662 61.147 1.515 1 1 474 . 20 1 1 A 38 38 TYR CB C 38 37.996 38.085 -0.089 1 1 477 . 20 1 1 A 38 38 TYR N N 38 117.027 116.022 1.005 1 1 478 . 20 1 1 A 39 39 TYR H H 39 8.321 8.129 0.192 1 1 479 . 20 1 1 A 39 39 TYR HA H 39 4.413 4.285 0.128 1 1 486 . 20 1 1 A 39 39 TYR C C 39 176.311 177.245 -0.934 1 1 487 . 20 1 1 A 39 39 TYR CA C 39 60.856 61.751 -0.895 1 1 488 . 20 1 1 A 39 39 TYR CB C 39 38.015 38.968 -0.953 1 1 491 . 20 1 1 A 39 39 TYR N N 39 120.527 120.685 -0.158 1 1 492 . 20 1 1 A 40 40 LEU H H 40 8.508 8.665 -0.157 1 1 493 . 20 1 1 A 40 40 LEU HA H 40 3.585 3.812 -0.227 1 1 503 . 20 1 1 A 40 40 LEU C C 40 178.857 178.883 -0.026 1 1 504 . 20 1 1 A 40 40 LEU CA C 40 57.723 57.789 -0.066 1 1 505 . 20 1 1 A 40 40 LEU CB C 40 41.543 41.334 0.209 1 1 509 . 20 1 1 A 40 40 LEU N N 40 118.925 120.513 -1.588 1 1 510 . 20 1 1 A 41 41 MET H H 41 8.661 8.508 0.153 1 1 511 . 20 1 1 A 41 41 MET HA H 41 3.611 3.885 -0.274 1 1 519 . 20 1 1 A 41 41 MET C C 41 178.325 179.047 -0.722 1 1 520 . 20 1 1 A 41 41 MET CA C 41 59.498 59.141 0.357 1 1 521 . 20 1 1 A 41 41 MET CB C 41 32.806 32.530 0.276 1 1 524 . 20 1 1 A 41 41 MET N N 41 119.892 116.694 3.198 1 1 525 . 20 1 1 A 42 42 GLY H H 42 8.531 8.225 0.306 1 1 526 . 20 1 1 A 42 42 GLY HA2 H 42 3.564 2.770 0.794 1 1 527 . 20 1 1 A 42 42 GLY HA3 H 42 3.164 3.488 -0.324 1 1 528 . 20 1 1 A 42 42 GLY C C 42 174.726 175.906 -1.180 1 1 529 . 20 1 1 A 42 42 GLY CA C 42 48.104 46.980 1.124 1 1 530 . 20 1 1 A 42 42 GLY N N 42 107.064 108.300 -1.236 1 1 531 . 20 1 1 A 43 43 ASN H H 43 8.260 7.752 0.508 1 1 532 . 20 1 1 A 43 43 ASN HA H 43 4.334 4.484 -0.150 1 1 537 . 20 1 1 A 43 43 ASN C C 43 178.111 177.823 0.288 1 1 538 . 20 1 1 A 43 43 ASN CA C 43 54.966 56.291 -1.325 1 1 539 . 20 1 1 A 43 43 ASN CB C 43 36.326 38.395 -2.069 1 1 540 . 20 1 1 A 43 43 ASN N N 43 120.815 120.009 0.806 1 1 542 . 20 1 1 A 44 44 ALA H H 44 8.487 7.679 0.808 1 1 543 . 20 1 1 A 44 44 ALA HA H 44 3.788 3.952 -0.164 1 1 547 . 20 1 1 A 44 44 ALA C C 44 178.389 179.256 -0.867 1 1 548 . 20 1 1 A 44 44 ALA CA C 44 55.152 54.922 0.230 1 1 549 . 20 1 1 A 44 44 ALA CB C 44 16.897 18.189 -1.292 1 1 550 . 20 1 1 A 44 44 ALA N N 44 125.304 123.558 1.746 1 1 551 . 20 1 1 A 45 45 TYR H H 45 8.160 8.082 0.078 1 1 552 . 20 1 1 A 45 45 TYR HA H 45 4.168 4.234 -0.066 1 1 559 . 20 1 1 A 45 45 TYR C C 45 178.775 178.007 0.768 1 1 560 . 20 1 1 A 45 45 TYR CA C 45 62.995 61.516 1.479 1 1 561 . 20 1 1 A 45 45 TYR CB C 45 36.944 37.626 -0.682 1 1 564 . 20 1 1 A 45 45 TYR N N 45 115.156 116.002 -0.846 1 1 565 . 20 1 1 A 46 46 ARG H H 46 8.901 8.493 0.408 1 1 566 . 20 1 1 A 46 46 ARG HA H 46 3.677 3.733 -0.056 1 1 573 . 20 1 1 A 46 46 ARG C C 46 179.396 178.649 0.747 1 1 574 . 20 1 1 A 46 46 ARG CA C 46 59.924 59.496 0.428 1 1 575 . 20 1 1 A 46 46 ARG CB C 46 30.131 29.667 0.464 1 1 578 . 20 1 1 A 46 46 ARG N N 46 121.781 121.565 0.216 1 1 579 . 20 1 1 A 47 47 LYS H H 47 7.813 7.460 0.353 1 1 580 . 20 1 1 A 47 47 LYS HA H 47 4.058 4.018 0.040 1 1 589 . 20 1 1 A 47 47 LYS C C 47 178.111 179.313 -1.202 1 1 590 . 20 1 1 A 47 47 LYS CA C 47 58.950 59.222 -0.272 1 1 591 . 20 1 1 A 47 47 LYS CB C 47 31.906 32.233 -0.327 1 1 595 . 20 1 1 A 47 47 LYS N N 47 120.818 118.446 2.372 1 1 596 . 20 1 1 A 48 48 LEU H H 48 7.312 7.408 -0.096 1 1 597 . 20 1 1 A 48 48 LEU HA H 48 4.228 3.988 0.240 1 1 607 . 20 1 1 A 48 48 LEU C C 48 177.254 176.852 0.402 1 1 608 . 20 1 1 A 48 48 LEU CA C 48 54.908 56.303 -1.395 1 1 609 . 20 1 1 A 48 48 LEU CB C 48 42.475 42.612 -0.137 1 1 613 . 20 1 1 A 48 48 LEU N N 48 116.553 117.653 -1.100 1 1 614 . 20 1 1 A 49 49 GLY H H 49 7.564 7.990 -0.426 1 1 615 . 20 1 1 A 49 49 GLY HA2 H 49 3.607 3.488 0.119 1 1 616 . 20 1 1 A 49 49 GLY HA3 H 49 2.316 3.794 -1.478 1 1 617 . 20 1 1 A 49 49 GLY C C 49 172.900 173.610 -0.710 1 1 618 . 20 1 1 A 49 49 GLY CA C 49 44.184 44.498 -0.314 1 1 619 . 20 1 1 A 49 49 GLY N N 49 107.326 105.779 1.547 1 1 620 . 20 1 1 A 50 50 ASP H H 50 7.670 7.327 0.343 1 1 621 . 20 1 1 A 50 50 ASP HA H 50 4.564 4.493 0.071 1 1 624 . 20 1 1 A 50 50 ASP C C 50 175.681 176.283 -0.602 1 1 625 . 20 1 1 A 50 50 ASP CA C 50 51.083 52.938 -1.855 1 1 626 . 20 1 1 A 50 50 ASP CB C 50 39.169 40.320 -1.151 1 1 627 . 20 1 1 A 50 50 ASP N N 50 120.356 120.227 0.129 1 1 628 . 20 1 1 A 51 51 TRP H H 51 6.939 7.928 -0.989 1 1 629 . 20 1 1 A 51 51 TRP HA H 51 4.314 4.371 -0.057 1 1 638 . 20 1 1 A 51 51 TRP C C 51 178.047 178.877 -0.830 1 1 639 . 20 1 1 A 51 51 TRP CA C 51 58.473 60.023 -1.550 1 1 640 . 20 1 1 A 51 51 TRP CB C 51 30.099 29.347 0.752 1 1 646 . 20 1 1 A 51 51 TRP N N 51 121.784 125.322 -3.538 1 1 648 . 20 1 1 A 52 52 GLN H H 52 8.677 7.691 0.986 1 1 649 . 20 1 1 A 52 52 GLN HA H 52 3.960 3.946 0.014 1 1 656 . 20 1 1 A 52 52 GLN C C 52 178.454 178.900 -0.446 1 1 657 . 20 1 1 A 52 52 GLN CA C 52 58.925 59.451 -0.526 1 1 658 . 20 1 1 A 52 52 GLN CB C 52 28.183 28.815 -0.632 1 1 660 . 20 1 1 A 52 52 GLN N N 52 117.018 119.200 -2.182 1 1 662 . 20 1 1 A 53 53 LYS H H 53 7.392 8.334 -0.942 1 1 663 . 20 1 1 A 53 53 LYS HA H 53 3.774 3.781 -0.007 1 1 672 . 20 1 1 A 53 53 LYS C C 53 180.361 178.687 1.674 1 1 673 . 20 1 1 A 53 53 LYS CA C 53 59.764 59.077 0.687 1 1 674 . 20 1 1 A 53 53 LYS CB C 53 30.802 31.701 -0.899 1 1 678 . 20 1 1 A 53 53 LYS N N 53 117.913 119.165 -1.252 1 1 679 . 20 1 1 A 54 54 ALA H H 54 8.223 7.635 0.588 1 1 680 . 20 1 1 A 54 54 ALA HA H 54 4.012 3.954 0.058 1 1 684 . 20 1 1 A 54 54 ALA C C 54 177.635 180.013 -2.378 1 1 685 . 20 1 1 A 54 54 ALA CA C 54 55.792 55.155 0.637 1 1 686 . 20 1 1 A 54 54 ALA CB C 54 17.045 18.567 -1.522 1 1 687 . 20 1 1 A 54 54 ALA N N 54 123.665 122.016 1.649 1 1 688 . 20 1 1 A 55 55 LEU H H 55 8.425 8.763 -0.338 1 1 689 . 20 1 1 A 55 55 LEU HA H 55 4.010 4.107 -0.097 1 1 699 . 20 1 1 A 55 55 LEU C C 55 179.568 179.429 0.139 1 1 700 . 20 1 1 A 55 55 LEU CA C 55 58.611 58.305 0.306 1 1 701 . 20 1 1 A 55 55 LEU CB C 55 41.500 42.105 -0.605 1 1 705 . 20 1 1 A 55 55 LEU N N 55 116.583 118.441 -1.858 1 1 706 . 20 1 1 A 56 56 ASN H H 56 8.284 8.221 0.063 1 1 707 . 20 1 1 A 56 56 ASN HA H 56 4.360 4.483 -0.123 1 1 712 . 20 1 1 A 56 56 ASN C C 56 177.790 178.605 -0.815 1 1 713 . 20 1 1 A 56 56 ASN CA C 56 55.852 56.680 -0.828 1 1 714 . 20 1 1 A 56 56 ASN CB C 56 37.882 37.747 0.135 1 1 715 . 20 1 1 A 56 56 ASN N N 56 117.763 117.489 0.274 1 1 717 . 20 1 1 A 57 57 ASN H H 57 7.600 7.616 -0.016 1 1 718 . 20 1 1 A 57 57 ASN HA H 57 4.425 4.478 -0.053 1 1 723 . 20 1 1 A 57 57 ASN C C 57 177.404 178.102 -0.698 1 1 724 . 20 1 1 A 57 57 ASN CA C 57 58.105 56.365 1.740 1 1 725 . 20 1 1 A 57 57 ASN CB C 57 38.931 38.466 0.465 1 1 726 . 20 1 1 A 57 57 ASN N N 57 118.927 117.542 1.385 1 1 728 . 20 1 1 A 58 58 TYR H H 58 8.838 8.523 0.315 1 1 729 . 20 1 1 A 58 58 TYR HA H 58 4.667 4.447 0.220 1 1 736 . 20 1 1 A 58 58 TYR C C 58 178.047 178.324 -0.277 1 1 737 . 20 1 1 A 58 58 TYR CA C 58 58.430 61.836 -3.406 1 1 738 . 20 1 1 A 58 58 TYR CB C 58 36.743 37.986 -1.243 1 1 741 . 20 1 1 A 58 58 TYR N N 58 118.473 119.103 -0.630 1 1 742 . 20 1 1 A 59 59 GLN H H 59 8.572 8.589 -0.017 1 1 743 . 20 1 1 A 59 59 GLN HA H 59 4.022 4.065 -0.043 1 1 750 . 20 1 1 A 59 59 GLN C C 59 178.040 178.094 -0.054 1 1 751 . 20 1 1 A 59 59 GLN CA C 59 59.054 58.861 0.193 1 1 752 . 20 1 1 A 59 59 GLN CB C 59 27.126 28.604 -1.478 1 1 754 . 20 1 1 A 59 59 GLN N N 59 118.483 120.054 -1.571 1 1 756 . 20 1 1 A 60 60 SER H H 60 7.696 8.134 -0.438 1 1 757 . 20 1 1 A 60 60 SER HA H 60 3.931 3.955 -0.024 1 1 760 . 20 1 1 A 60 60 SER C C 60 175.926 176.183 -0.257 1 1 761 . 20 1 1 A 60 60 SER CA C 60 62.121 61.504 0.617 1 1 762 . 20 1 1 A 60 60 SER CB C 60 61.244 62.218 -0.974 1 1 763 . 20 1 1 A 60 60 SER N N 60 116.103 117.096 -0.993 1 1 764 . 20 1 1 A 61 61 ALA H H 61 7.739 7.632 0.107 1 1 765 . 20 1 1 A 61 61 ALA HA H 61 4.075 4.290 -0.215 1 1 769 . 20 1 1 A 61 61 ALA C C 61 178.686 179.997 -1.311 1 1 770 . 20 1 1 A 61 61 ALA CA C 61 56.019 55.174 0.845 1 1 771 . 20 1 1 A 61 61 ALA CB C 61 18.790 18.525 0.265 1 1 772 . 20 1 1 A 61 61 ALA N N 61 122.319 123.123 -0.804 1 1 773 . 20 1 1 A 62 62 ILE H H 62 7.991 7.700 0.291 1 1 774 . 20 1 1 A 62 62 ILE HA H 62 3.857 3.770 0.087 1 1 784 . 20 1 1 A 62 62 ILE C C 62 178.131 177.938 0.193 1 1 785 . 20 1 1 A 62 62 ILE CA C 62 63.418 64.931 -1.513 1 1 786 . 20 1 1 A 62 62 ILE CB C 62 39.119 37.386 1.733 1 1 790 . 20 1 1 A 62 62 ILE N N 62 117.981 119.122 -1.141 1 1 791 . 20 1 1 A 63 63 GLU H H 63 7.988 8.582 -0.594 1 1 792 . 20 1 1 A 63 63 GLU HA H 63 3.902 4.061 -0.159 1 1 797 . 20 1 1 A 63 63 GLU C C 63 178.564 179.233 -0.669 1 1 798 . 20 1 1 A 63 63 GLU CA C 63 58.594 59.548 -0.954 1 1 799 . 20 1 1 A 63 63 GLU CB C 63 29.278 29.267 0.011 1 1 801 . 20 1 1 A 63 63 GLU N N 63 118.190 120.604 -2.414 1 1 802 . 20 1 1 A 64 64 LEU H H 64 7.024 7.272 -0.248 1 1 803 . 20 1 1 A 64 64 LEU HA H 64 4.347 4.268 0.079 1 1 813 . 20 1 1 A 64 64 LEU C C 64 177.496 177.024 0.472 1 1 814 . 20 1 1 A 64 64 LEU CA C 64 55.810 56.440 -0.630 1 1 815 . 20 1 1 A 64 64 LEU CB C 64 43.746 43.135 0.611 1 1 819 . 20 1 1 A 64 64 LEU N N 64 116.109 119.053 -2.944 1 1 820 . 20 1 1 A 65 65 ASN H H 65 8.270 7.588 0.682 1 1 821 . 20 1 1 A 65 65 ASN HA H 65 5.068 5.137 -0.069 1 1 826 . 20 1 1 A 65 65 ASN C C 65 172.512 174.740 -2.228 1 1 827 . 20 1 1 A 65 65 ASN CA C 65 49.457 50.728 -1.271 1 1 828 . 20 1 1 A 65 65 ASN CB C 65 38.936 41.114 -2.178 1 1 829 . 20 1 1 A 65 65 ASN N N 65 116.544 113.702 2.842 1 1 831 . 20 1 1 A 66 66 PRO HA H 66 4.467 4.507 -0.040 1 1 838 . 20 1 1 A 66 66 PRO C C 66 176.054 176.838 -0.784 1 1 839 . 20 1 1 A 66 66 PRO CA C 66 63.894 63.962 -0.068 1 1 840 . 20 1 1 A 66 66 PRO CB C 66 31.935 32.733 -0.798 1 1 843 . 20 1 1 A 67 67 ASP H H 67 7.326 8.239 -0.913 1 1 844 . 20 1 1 A 67 67 ASP HA H 67 4.863 4.679 0.184 1 1 847 . 20 1 1 A 67 67 ASP C C 67 175.647 175.969 -0.322 1 1 848 . 20 1 1 A 67 67 ASP CA C 67 53.273 54.223 -0.950 1 1 849 . 20 1 1 A 67 67 ASP CB C 67 41.453 41.552 -0.099 1 1 850 . 20 1 1 A 67 67 ASP N N 67 114.579 118.666 -4.087 1 1 851 . 20 1 1 A 68 68 SER H H 68 7.670 7.187 0.483 1 1 852 . 20 1 1 A 68 68 SER HA H 68 4.315 4.501 -0.186 1 1 856 . 20 1 1 A 68 68 SER C C 68 175.108 174.676 0.432 1 1 857 . 20 1 1 A 68 68 SER CA C 68 56.422 56.234 0.188 1 1 858 . 20 1 1 A 68 68 SER CB C 68 63.880 64.238 -0.358 1 1 859 . 20 1 1 A 68 68 SER N N 68 115.624 117.458 -1.834 1 1 860 . 20 1 1 A 69 69 PRO HA H 69 4.588 4.440 0.148 1 1 867 . 20 1 1 A 69 69 PRO C C 69 177.083 177.231 -0.148 1 1 868 . 20 1 1 A 69 69 PRO CA C 69 63.870 64.084 -0.214 1 1 869 . 20 1 1 A 69 69 PRO CB C 69 30.612 31.515 -0.903 1 1 872 . 20 1 1 A 70 70 ALA H H 70 8.442 7.866 0.576 1 1 873 . 20 1 1 A 70 70 ALA HA H 70 3.679 4.149 -0.470 1 1 877 . 20 1 1 A 70 70 ALA C C 70 177.667 180.020 -2.353 1 1 878 . 20 1 1 A 70 70 ALA CA C 70 54.025 54.727 -0.702 1 1 879 . 20 1 1 A 70 70 ALA CB C 70 20.741 18.868 1.873 1 1 880 . 20 1 1 A 70 70 ALA N N 70 121.749 121.399 0.350 1 1 881 . 20 1 1 A 71 71 LEU H H 71 7.956 7.771 0.185 1 1 882 . 20 1 1 A 71 71 LEU HA H 71 3.883 3.846 0.037 1 1 892 . 20 1 1 A 71 71 LEU C C 71 179.241 179.282 -0.041 1 1 893 . 20 1 1 A 71 71 LEU CA C 71 58.602 58.210 0.392 1 1 894 . 20 1 1 A 71 71 LEU CB C 71 41.987 41.705 0.282 1 1 898 . 20 1 1 A 71 71 LEU N N 71 119.448 119.035 0.413 1 1 899 . 20 1 1 A 72 72 GLN H H 72 7.464 7.939 -0.475 1 1 900 . 20 1 1 A 72 72 GLN HA H 72 4.049 4.089 -0.040 1 1 907 . 20 1 1 A 72 72 GLN C C 72 178.432 178.483 -0.051 1 1 908 . 20 1 1 A 72 72 GLN CA C 72 58.626 58.990 -0.364 1 1 909 . 20 1 1 A 72 72 GLN CB C 72 27.557 28.476 -0.919 1 1 911 . 20 1 1 A 72 72 GLN N N 72 117.976 117.874 0.102 1 1 913 . 20 1 1 A 73 73 ALA H H 73 7.296 8.147 -0.851 1 1 914 . 20 1 1 A 73 73 ALA HA H 73 4.017 3.875 0.142 1 1 918 . 20 1 1 A 73 73 ALA C C 73 178.775 179.179 -0.404 1 1 919 . 20 1 1 A 73 73 ALA CA C 73 54.688 54.947 -0.259 1 1 920 . 20 1 1 A 73 73 ALA CB C 73 17.473 17.599 -0.126 1 1 921 . 20 1 1 A 73 73 ALA N N 73 123.083 122.474 0.609 1 1 922 . 20 1 1 A 74 74 ARG H H 74 8.328 7.753 0.575 1 1 923 . 20 1 1 A 74 74 ARG HA H 74 3.820 4.074 -0.254 1 1 931 . 20 1 1 A 74 74 ARG C C 74 177.297 178.797 -1.500 1 1 932 . 20 1 1 A 74 74 ARG CA C 74 59.805 59.051 0.754 1 1 933 . 20 1 1 A 74 74 ARG CB C 74 29.773 29.826 -0.053 1 1 936 . 20 1 1 A 74 74 ARG N N 74 117.535 118.386 -0.851 1 1 938 . 20 1 1 A 75 75 LYS H H 75 7.123 7.638 -0.515 1 1 939 . 20 1 1 A 75 75 LYS HA H 75 3.960 4.059 -0.099 1 1 948 . 20 1 1 A 75 75 LYS C C 75 178.071 179.180 -1.109 1 1 949 . 20 1 1 A 75 75 LYS CA C 75 59.488 59.320 0.168 1 1 950 . 20 1 1 A 75 75 LYS CB C 75 31.928 32.002 -0.074 1 1 954 . 20 1 1 A 75 75 LYS N N 75 119.136 118.608 0.528 1 1 955 . 20 1 1 A 76 76 MET H H 76 7.673 8.256 -0.583 1 1 956 . 20 1 1 A 76 76 MET HA H 76 4.205 4.114 0.091 1 1 964 . 20 1 1 A 76 76 MET C C 76 178.925 178.954 -0.029 1 1 965 . 20 1 1 A 76 76 MET CA C 76 58.637 58.615 0.022 1 1 966 . 20 1 1 A 76 76 MET CB C 76 32.344 32.453 -0.109 1 1 969 . 20 1 1 A 76 76 MET N N 76 116.794 118.507 -1.713 1 1 970 . 20 1 1 A 77 77 VAL H H 77 7.928 7.923 0.005 1 1 971 . 20 1 1 A 77 77 VAL HA H 77 3.601 3.349 0.252 1 1 979 . 20 1 1 A 77 77 VAL C C 77 177.318 178.018 -0.700 1 1 980 . 20 1 1 A 77 77 VAL CA C 77 66.468 66.575 -0.107 1 1 981 . 20 1 1 A 77 77 VAL CB C 77 31.477 31.778 -0.301 1 1 984 . 20 1 1 A 77 77 VAL N N 77 117.999 120.371 -2.372 1 1 985 . 20 1 1 A 78 78 MET H H 78 8.446 8.516 -0.070 1 1 986 . 20 1 1 A 78 78 MET HA H 78 4.136 4.092 0.044 1 1 994 . 20 1 1 A 78 78 MET C C 78 178.542 177.848 0.694 1 1 995 . 20 1 1 A 78 78 MET CA C 78 58.514 58.137 0.377 1 1 996 . 20 1 1 A 78 78 MET CB C 78 31.036 31.735 -0.699 1 1 999 . 20 1 1 A 78 78 MET N N 78 119.079 117.395 1.684 1 1 1000 . 20 1 1 A 79 79 ASP H H 79 8.202 7.780 0.422 1 1 1001 . 20 1 1 A 79 79 ASP HA H 79 4.419 4.306 0.113 1 1 1004 . 20 1 1 A 79 79 ASP C C 79 179.097 178.323 0.774 1 1 1005 . 20 1 1 A 79 79 ASP CA C 79 57.277 57.568 -0.291 1 1 1006 . 20 1 1 A 79 79 ASP CB C 79 39.813 41.085 -1.272 1 1 1007 . 20 1 1 A 79 79 ASP N N 79 119.422 120.151 -0.729 1 1 1008 . 20 1 1 A 80 80 ILE H H 80 7.625 7.790 -0.165 1 1 1009 . 20 1 1 A 80 80 ILE HA H 80 3.643 3.368 0.275 1 1 1019 . 20 1 1 A 80 80 ILE C C 80 178.024 178.306 -0.282 1 1 1020 . 20 1 1 A 80 80 ILE CA C 80 64.717 65.505 -0.788 1 1 1021 . 20 1 1 A 80 80 ILE CB C 80 37.661 37.660 0.001 1 1 1025 . 20 1 1 A 80 80 ILE N N 80 121.750 119.178 2.572 1 1 1026 . 20 1 1 A 81 81 LEU H H 81 8.071 8.069 0.002 1 1 1027 . 20 1 1 A 81 81 LEU HA H 81 3.908 3.890 0.018 1 1 1037 . 20 1 1 A 81 81 LEU C C 81 178.852 178.618 0.234 1 1 1038 . 20 1 1 A 81 81 LEU CA C 81 57.329 57.989 -0.660 1 1 1039 . 20 1 1 A 81 81 LEU CB C 81 41.544 40.987 0.557 1 1 1043 . 20 1 1 A 81 81 LEU N N 81 119.850 118.644 1.206 1 1 1044 . 20 1 1 A 82 82 ASN H H 82 8.188 8.194 -0.006 1 1 1045 . 20 1 1 A 82 82 ASN HA H 82 4.417 4.136 0.281 1 1 1050 . 20 1 1 A 82 82 ASN C C 82 176.440 177.469 -1.029 1 1 1051 . 20 1 1 A 82 82 ASN CA C 82 55.011 55.788 -0.777 1 1 1052 . 20 1 1 A 82 82 ASN CB C 82 38.461 39.080 -0.619 1 1 1053 . 20 1 1 A 82 82 ASN N N 82 116.186 117.423 -1.237 1 1 1055 . 20 1 1 A 83 83 PHE H H 83 7.779 7.693 0.086 1 1 1056 . 20 1 1 A 83 83 PHE HA H 83 4.352 4.139 0.213 1 1 1064 . 20 1 1 A 83 83 PHE C C 83 176.767 176.590 0.177 1 1 1065 . 20 1 1 A 83 83 PHE CA C 83 59.557 60.901 -1.344 1 1 1066 . 20 1 1 A 83 83 PHE CB C 83 38.944 38.493 0.451 1 1 1070 . 20 1 1 A 83 83 PHE N N 83 118.925 120.084 -1.159 1 1 1071 . 20 1 1 A 84 84 TYR H H 84 8.057 7.551 0.506 1 1 1072 . 20 1 1 A 84 84 TYR HA H 84 4.388 4.379 0.009 1 1 1079 . 20 1 1 A 84 84 TYR C C 84 176.233 176.052 0.181 1 1 1080 . 20 1 1 A 84 84 TYR CA C 84 59.261 59.982 -0.721 1 1 1081 . 20 1 1 A 84 84 TYR CB C 84 38.503 39.352 -0.849 1 1 1084 . 20 1 1 A 84 84 TYR N N 84 118.223 116.107 2.116 1 1 1085 . 20 1 1 A 85 85 ASN H H 85 8.192 7.893 0.299 1 1 1086 . 20 1 1 A 85 85 ASN HA H 85 4.679 5.155 -0.476 1 1 1091 . 20 1 1 A 85 85 ASN C C 85 175.367 174.728 0.639 1 1 1092 . 20 1 1 A 85 85 ASN CA C 85 53.261 52.010 1.251 1 1 1093 . 20 1 1 A 85 85 ASN CB C 85 38.501 41.558 -3.057 1 1 1094 . 20 1 1 A 85 85 ASN N N 85 118.935 112.527 6.408 1 1 1096 . 20 1 1 A 86 86 LYS H H 86 8.151 8.606 -0.455 1 1 1097 . 20 1 1 A 86 86 LYS HA H 86 4.151 4.813 -0.662 1 1 1106 . 20 1 1 A 86 86 LYS C C 86 176.981 177.073 -0.092 1 1 1107 . 20 1 1 A 86 86 LYS CA C 86 57.714 55.422 2.292 1 1 1108 . 20 1 1 A 86 86 LYS CB C 86 32.368 33.601 -1.233 1 1 1112 . 20 1 1 A 86 86 LYS N N 86 121.533 122.025 -0.492 1 1 1113 . 20 1 1 A 87 87 ASP H H 87 8.269 8.296 -0.027 1 1 1114 . 20 1 1 A 87 87 ASP HA H 87 4.553 4.401 0.152 1 1 1117 . 20 1 1 A 87 87 ASP C C 87 177.209 178.100 -0.891 1 1 1118 . 20 1 1 A 87 87 ASP CA C 87 55.538 57.453 -1.915 1 1 1119 . 20 1 1 A 87 87 ASP CB C 87 40.677 40.776 -0.099 1 1 1120 . 20 1 1 A 87 87 ASP N N 87 119.408 120.359 -0.951 1 1 1121 . 20 1 1 A 88 88 MET H H 88 7.941 8.129 -0.188 1 1 1122 . 20 1 1 A 88 88 MET HA H 88 4.257 4.540 -0.283 1 1 1130 . 20 1 1 A 88 88 MET C C 88 176.851 176.062 0.789 1 1 1131 . 20 1 1 A 88 88 MET CA C 88 56.461 55.338 1.123 1 1 1132 . 20 1 1 A 88 88 MET CB C 88 32.371 32.720 -0.349 1 1 1135 . 20 1 1 A 88 88 MET N N 88 119.377 115.086 4.291 1 1 1136 . 20 1 1 A 89 89 TYR H H 89 8.094 7.899 0.195 1 1 1137 . 20 1 1 A 89 89 TYR HA H 89 4.350 4.305 0.045 1 1 1144 . 20 1 1 A 89 89 TYR C C 89 176.252 176.563 -0.311 1 1 1145 . 20 1 1 A 89 89 TYR CA C 89 59.097 60.168 -1.071 1 1 1146 . 20 1 1 A 89 89 TYR CB C 89 38.051 38.711 -0.660 1 1 1149 . 20 1 1 A 89 89 TYR N N 89 119.418 122.901 -3.483 1 1 1150 . 20 1 1 A 90 90 ASN H H 90 8.244 8.701 -0.457 1 1 1151 . 20 1 1 A 90 90 ASN HA H 90 4.573 4.435 0.138 1 1 1156 . 20 1 1 A 90 90 ASN C C 90 175.907 174.679 1.228 1 1 1157 . 20 1 1 A 90 90 ASN CA C 90 53.867 54.786 -0.919 1 1 1158 . 20 1 1 A 90 90 ASN CB C 90 38.479 36.913 1.566 1 1 1159 . 20 1 1 A 90 90 ASN N N 90 118.918 119.708 -0.790 1 1 1161 . 20 1 1 A 91 91 GLN H H 91 8.176 7.656 0.520 1 1 1162 . 20 1 1 A 91 91 GLN HA H 91 4.216 4.461 -0.245 1 1 1169 . 20 1 1 A 91 91 GLN C C 91 176.568 178.396 -1.828 1 1 1170 . 20 1 1 A 91 91 GLN CA C 91 56.600 57.388 -0.788 1 1 1171 . 20 1 1 A 91 91 GLN CB C 91 28.859 29.724 -0.865 1 1 1173 . 20 1 1 A 91 91 GLN N N 91 119.648 117.615 2.033 1 1 1175 . 20 1 1 A 92 92 LEU H H 92 8.015 7.744 0.271 1 1 1176 . 20 1 1 A 92 92 LEU HA H 92 4.214 4.049 0.165 1 1 1186 . 20 1 1 A 92 92 LEU C C 92 177.661 177.087 0.574 1 1 1187 . 20 1 1 A 92 92 LEU CA C 92 55.550 57.994 -2.444 1 1 1188 . 20 1 1 A 92 92 LEU CB C 92 41.994 41.809 0.185 1 1 1192 . 20 1 1 A 92 92 LEU N N 92 121.059 119.378 1.681 1 1 1193 . 20 1 1 A 93 93 GLU H H 93 8.132 8.012 0.120 1 1 1194 . 20 1 1 A 93 93 GLU HA H 93 4.099 4.755 -0.656 1 1 1199 . 20 1 1 A 93 93 GLU C C 93 176.461 175.559 0.902 1 1 1200 . 20 1 1 A 93 93 GLU CA C 93 56.838 54.684 2.154 1 1 1201 . 20 1 1 A 93 93 GLU CB C 93 29.803 31.519 -1.716 1 1 1203 . 20 1 1 A 93 93 GLU N N 93 119.896 116.931 2.965 1 1 1204 . 20 1 1 A 94 94 HIS H H 94 8.134 8.858 -0.724 1 1 1205 . 20 1 1 A 94 94 HIS C C 94 174.994 174.515 0.479 1 1 1206 . 20 1 1 A 94 94 HIS CA C 94 56.075 55.849 0.226 1 1 1207 . 20 1 1 A 94 94 HIS CB C 94 29.997 30.430 -0.433 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 92 0.883 1 2 1 1 1 "RMS(OBS, PRED)" CA 93 1.024 1 3 1 1 1 "RMS(OBS, PRED)" CB 89 0.979 1 4 1 1 1 "RMS(OBS, PRED)" H 89 0.420 1 5 1 1 1 "RMS(OBS, PRED)" HA 96 0.232 1 6 1 1 1 "RMS(OBS, PRED)" N 88 2.053 1 7 1 2 1 "RMS(OBS, PRED)" C 92 0.920 1 8 1 2 1 "RMS(OBS, PRED)" CA 93 0.952 1 9 1 2 1 "RMS(OBS, PRED)" CB 89 0.902 1 10 1 2 1 "RMS(OBS, PRED)" H 89 0.459 1 11 1 2 1 "RMS(OBS, PRED)" HA 96 0.249 1 12 1 2 1 "RMS(OBS, PRED)" N 88 1.803 1 13 1 3 1 "RMS(OBS, PRED)" C 92 0.897 1 14 1 3 1 "RMS(OBS, PRED)" CA 93 0.990 1 15 1 3 1 "RMS(OBS, PRED)" CB 89 0.825 1 16 1 3 1 "RMS(OBS, PRED)" H 89 0.423 1 17 1 3 1 "RMS(OBS, PRED)" HA 96 0.247 1 18 1 3 1 "RMS(OBS, PRED)" N 88 1.933 1 19 1 4 1 "RMS(OBS, PRED)" C 92 0.886 1 20 1 4 1 "RMS(OBS, PRED)" CA 93 1.016 1 21 1 4 1 "RMS(OBS, PRED)" CB 89 0.857 1 22 1 4 1 "RMS(OBS, PRED)" H 89 0.460 1 23 1 4 1 "RMS(OBS, PRED)" HA 96 0.263 1 24 1 4 1 "RMS(OBS, PRED)" N 88 2.072 1 25 1 5 1 "RMS(OBS, PRED)" C 92 0.836 1 26 1 5 1 "RMS(OBS, PRED)" CA 93 0.915 1 27 1 5 1 "RMS(OBS, PRED)" CB 89 0.827 1 28 1 5 1 "RMS(OBS, PRED)" H 89 0.443 1 29 1 5 1 "RMS(OBS, PRED)" HA 96 0.268 1 30 1 5 1 "RMS(OBS, PRED)" N 88 2.000 1 31 1 6 1 "RMS(OBS, PRED)" C 92 0.947 1 32 1 6 1 "RMS(OBS, PRED)" CA 93 1.043 1 33 1 6 1 "RMS(OBS, PRED)" CB 89 0.912 1 34 1 6 1 "RMS(OBS, PRED)" H 89 0.451 1 35 1 6 1 "RMS(OBS, PRED)" HA 96 0.254 1 36 1 6 1 "RMS(OBS, PRED)" N 88 2.026 1 37 1 7 1 "RMS(OBS, PRED)" C 92 0.933 1 38 1 7 1 "RMS(OBS, PRED)" CA 93 1.027 1 39 1 7 1 "RMS(OBS, PRED)" CB 89 0.898 1 40 1 7 1 "RMS(OBS, PRED)" H 89 0.405 1 41 1 7 1 "RMS(OBS, PRED)" HA 96 0.234 1 42 1 7 1 "RMS(OBS, PRED)" N 88 1.904 1 43 1 8 1 "RMS(OBS, PRED)" C 92 0.884 1 44 1 8 1 "RMS(OBS, PRED)" CA 93 1.067 1 45 1 8 1 "RMS(OBS, PRED)" CB 89 0.893 1 46 1 8 1 "RMS(OBS, PRED)" H 89 0.451 1 47 1 8 1 "RMS(OBS, PRED)" HA 96 0.254 1 48 1 8 1 "RMS(OBS, PRED)" N 88 2.219 1 49 1 9 1 "RMS(OBS, PRED)" C 92 0.946 1 50 1 9 1 "RMS(OBS, PRED)" CA 93 1.007 1 51 1 9 1 "RMS(OBS, PRED)" CB 89 0.869 1 52 1 9 1 "RMS(OBS, PRED)" H 89 0.445 1 53 1 9 1 "RMS(OBS, PRED)" HA 96 0.237 1 54 1 9 1 "RMS(OBS, PRED)" N 88 2.144 1 55 1 10 1 "RMS(OBS, PRED)" C 92 0.879 1 56 1 10 1 "RMS(OBS, PRED)" CA 93 1.015 1 57 1 10 1 "RMS(OBS, PRED)" CB 89 0.886 1 58 1 10 1 "RMS(OBS, PRED)" H 89 0.462 1 59 1 10 1 "RMS(OBS, PRED)" HA 96 0.250 1 60 1 10 1 "RMS(OBS, PRED)" N 88 2.017 1 61 1 11 1 "RMS(OBS, PRED)" C 92 0.864 1 62 1 11 1 "RMS(OBS, PRED)" CA 93 0.977 1 63 1 11 1 "RMS(OBS, PRED)" CB 89 1.013 1 64 1 11 1 "RMS(OBS, PRED)" H 89 0.465 1 65 1 11 1 "RMS(OBS, PRED)" HA 96 0.249 1 66 1 11 1 "RMS(OBS, PRED)" N 88 2.204 1 67 1 12 1 "RMS(OBS, PRED)" C 92 0.852 1 68 1 12 1 "RMS(OBS, PRED)" CA 93 0.943 1 69 1 12 1 "RMS(OBS, PRED)" CB 89 0.990 1 70 1 12 1 "RMS(OBS, PRED)" H 89 0.443 1 71 1 12 1 "RMS(OBS, PRED)" HA 96 0.265 1 72 1 12 1 "RMS(OBS, PRED)" N 88 1.986 1 73 1 13 1 "RMS(OBS, PRED)" C 92 0.861 1 74 1 13 1 "RMS(OBS, PRED)" CA 93 1.017 1 75 1 13 1 "RMS(OBS, PRED)" CB 89 0.801 1 76 1 13 1 "RMS(OBS, PRED)" H 89 0.447 1 77 1 13 1 "RMS(OBS, PRED)" HA 96 0.256 1 78 1 13 1 "RMS(OBS, PRED)" N 88 2.090 1 79 1 14 1 "RMS(OBS, PRED)" C 92 0.915 1 80 1 14 1 "RMS(OBS, PRED)" CA 93 1.020 1 81 1 14 1 "RMS(OBS, PRED)" CB 89 0.926 1 82 1 14 1 "RMS(OBS, PRED)" H 89 0.458 1 83 1 14 1 "RMS(OBS, PRED)" HA 96 0.248 1 84 1 14 1 "RMS(OBS, PRED)" N 88 2.276 1 85 1 15 1 "RMS(OBS, PRED)" C 92 0.853 1 86 1 15 1 "RMS(OBS, PRED)" CA 93 1.006 1 87 1 15 1 "RMS(OBS, PRED)" CB 89 0.822 1 88 1 15 1 "RMS(OBS, PRED)" H 89 0.480 1 89 1 15 1 "RMS(OBS, PRED)" HA 96 0.238 1 90 1 15 1 "RMS(OBS, PRED)" N 88 2.035 1 91 1 16 1 "RMS(OBS, PRED)" C 92 0.925 1 92 1 16 1 "RMS(OBS, PRED)" CA 93 1.099 1 93 1 16 1 "RMS(OBS, PRED)" CB 89 0.922 1 94 1 16 1 "RMS(OBS, PRED)" H 89 0.468 1 95 1 16 1 "RMS(OBS, PRED)" HA 96 0.270 1 96 1 16 1 "RMS(OBS, PRED)" N 88 2.090 1 97 1 17 1 "RMS(OBS, PRED)" C 92 0.912 1 98 1 17 1 "RMS(OBS, PRED)" CA 93 1.003 1 99 1 17 1 "RMS(OBS, PRED)" CB 89 0.857 1 100 1 17 1 "RMS(OBS, PRED)" H 89 0.428 1 101 1 17 1 "RMS(OBS, PRED)" HA 96 0.246 1 102 1 17 1 "RMS(OBS, PRED)" N 88 2.067 1 103 1 18 1 "RMS(OBS, PRED)" C 92 0.977 1 104 1 18 1 "RMS(OBS, PRED)" CA 93 1.037 1 105 1 18 1 "RMS(OBS, PRED)" CB 89 0.925 1 106 1 18 1 "RMS(OBS, PRED)" H 89 0.429 1 107 1 18 1 "RMS(OBS, PRED)" HA 96 0.241 1 108 1 18 1 "RMS(OBS, PRED)" N 88 1.973 1 109 1 19 1 "RMS(OBS, PRED)" C 92 0.934 1 110 1 19 1 "RMS(OBS, PRED)" CA 93 1.058 1 111 1 19 1 "RMS(OBS, PRED)" CB 89 0.812 1 112 1 19 1 "RMS(OBS, PRED)" H 89 0.464 1 113 1 19 1 "RMS(OBS, PRED)" HA 96 0.245 1 114 1 19 1 "RMS(OBS, PRED)" N 88 1.891 1 115 1 20 1 "RMS(OBS, PRED)" C 92 0.872 1 116 1 20 1 "RMS(OBS, PRED)" CA 93 1.005 1 117 1 20 1 "RMS(OBS, PRED)" CB 89 0.898 1 118 1 20 1 "RMS(OBS, PRED)" H 89 0.455 1 119 1 20 1 "RMS(OBS, PRED)" HA 96 0.237 1 120 1 20 1 "RMS(OBS, PRED)" N 88 2.217 1 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Conformer_type "average" _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 1 . 1 1 A 2 2 ASP HA H 2 4.708 4.859 -0.151 2 1 4 . 1 1 A 2 2 ASP C C 2 176.847 176.300 0.547 2 1 5 . 1 1 A 2 2 ASP CA C 2 53.800 53.647 0.153 2 1 6 . 1 1 A 2 2 ASP CB C 2 40.922 40.690 0.232 2 1 7 . 1 1 A 3 3 GLN H H 3 9.117 8.417 0.700 2 1 8 . 1 1 A 3 3 GLN HA H 3 4.139 3.987 0.152 2 1 15 . 1 1 A 3 3 GLN C C 3 177.725 177.848 -0.123 2 1 16 . 1 1 A 3 3 GLN CA C 3 58.612 58.603 0.009 2 1 17 . 1 1 A 3 3 GLN CB C 3 28.880 28.243 0.637 2 1 19 . 1 1 A 3 3 GLN N N 3 124.129 122.306 1.823 2 1 21 . 1 1 A 4 4 LEU H H 4 8.285 8.075 0.210 2 1 22 . 1 1 A 4 4 LEU HA H 4 3.947 3.744 0.203 2 1 32 . 1 1 A 4 4 LEU C C 4 178.111 179.134 -1.023 2 1 33 . 1 1 A 4 4 LEU CA C 4 56.421 57.728 -1.307 2 1 34 . 1 1 A 4 4 LEU CB C 4 40.690 41.113 -0.423 2 1 38 . 1 1 A 4 4 LEU N N 4 117.977 120.050 -2.073 2 1 39 . 1 1 A 5 5 LYS H H 5 7.624 7.951 -0.327 2 1 40 . 1 1 A 5 5 LYS HA H 5 3.837 3.972 -0.135 2 1 49 . 1 1 A 5 5 LYS C C 5 178.775 178.956 -0.181 2 1 50 . 1 1 A 5 5 LYS CA C 5 59.939 59.513 0.426 2 1 51 . 1 1 A 5 5 LYS CB C 5 32.344 32.147 0.197 2 1 55 . 1 1 A 5 5 LYS N N 5 121.000 120.515 0.485 2 1 56 . 1 1 A 6 6 THR H H 6 7.852 7.861 -0.008 2 1 57 . 1 1 A 6 6 THR HA H 6 3.908 3.919 -0.011 2 1 62 . 1 1 A 6 6 THR C C 6 176.483 176.544 -0.061 2 1 63 . 1 1 A 6 6 THR CA C 6 66.062 66.952 -0.890 2 1 64 . 1 1 A 6 6 THR CB C 6 68.255 68.312 -0.057 2 1 66 . 1 1 A 6 6 THR N N 6 115.606 116.530 -0.924 2 1 67 . 1 1 A 7 7 ILE H H 7 7.791 7.910 -0.119 2 1 68 . 1 1 A 7 7 ILE HA H 7 3.422 3.529 -0.107 2 1 78 . 1 1 A 7 7 ILE C C 7 177.219 177.790 -0.571 2 1 79 . 1 1 A 7 7 ILE CA C 7 65.799 65.304 0.495 2 1 80 . 1 1 A 7 7 ILE CB C 7 37.619 37.528 0.091 2 1 84 . 1 1 A 7 7 ILE N N 7 122.292 121.510 0.782 2 1 85 . 1 1 A 8 8 LYS H H 8 8.233 8.166 0.066 2 1 86 . 1 1 A 8 8 LYS HA H 8 3.721 3.820 -0.099 2 1 95 . 1 1 A 8 8 LYS C C 8 179.054 179.781 -0.727 2 1 96 . 1 1 A 8 8 LYS CA C 8 60.378 60.262 0.116 2 1 97 . 1 1 A 8 8 LYS CB C 8 31.990 32.049 -0.059 2 1 101 . 1 1 A 8 8 LYS N N 8 119.853 118.903 0.950 2 1 102 . 1 1 A 9 9 GLU H H 9 7.677 8.173 -0.496 2 1 103 . 1 1 A 9 9 GLU HA H 9 4.138 4.026 0.112 2 1 108 . 1 1 A 9 9 GLU C C 9 178.839 179.399 -0.560 2 1 109 . 1 1 A 9 9 GLU CA C 9 59.045 59.023 0.022 2 1 110 . 1 1 A 9 9 GLU CB C 9 28.877 29.445 -0.568 2 1 112 . 1 1 A 9 9 GLU N N 9 118.933 120.422 -1.489 2 1 113 . 1 1 A 10 10 LEU H H 10 7.996 8.232 -0.236 2 1 114 . 1 1 A 10 10 LEU HA H 10 4.027 4.005 0.022 2 1 124 . 1 1 A 10 10 LEU C C 10 179.717 179.145 0.572 2 1 125 . 1 1 A 10 10 LEU CA C 10 58.212 58.065 0.147 2 1 126 . 1 1 A 10 10 LEU CB C 10 41.994 41.801 0.193 2 1 130 . 1 1 A 10 10 LEU N N 10 120.361 120.848 -0.487 2 1 131 . 1 1 A 11 11 ILE H H 11 8.059 8.241 -0.182 2 1 132 . 1 1 A 11 11 ILE HA H 11 3.233 3.483 -0.250 2 1 142 . 1 1 A 11 11 ILE C C 11 179.525 178.369 1.156 2 1 143 . 1 1 A 11 11 ILE CA C 11 65.782 64.890 0.892 2 1 144 . 1 1 A 11 11 ILE CB C 11 37.620 37.373 0.247 2 1 148 . 1 1 A 11 11 ILE N N 11 118.455 119.584 -1.129 2 1 149 . 1 1 A 12 12 ASN H H 12 8.219 8.277 -0.058 2 1 150 . 1 1 A 12 12 ASN HA H 12 4.355 4.480 -0.125 2 1 155 . 1 1 A 12 12 ASN C C 12 177.168 178.198 -1.030 2 1 156 . 1 1 A 12 12 ASN CA C 12 55.945 56.449 -0.504 2 1 157 . 1 1 A 12 12 ASN CB C 12 38.012 37.837 0.175 2 1 158 . 1 1 A 12 12 ASN N N 12 120.732 118.903 1.829 2 1 160 . 1 1 A 13 13 GLN H H 13 8.028 7.766 0.262 2 1 161 . 1 1 A 13 13 GLN HA H 13 4.295 4.203 0.092 2 1 168 . 1 1 A 13 13 GLN C C 13 176.418 176.045 0.373 2 1 169 . 1 1 A 13 13 GLN CA C 13 55.821 56.309 -0.488 2 1 170 . 1 1 A 13 13 GLN CB C 13 28.852 28.933 -0.081 2 1 172 . 1 1 A 13 13 GLN N N 13 116.080 115.753 0.327 2 1 174 . 1 1 A 14 14 GLY H H 14 7.853 8.005 -0.151 2 1 175 . 1 1 A 14 14 GLY HA2 H 14 4.337 3.979 0.358 2 1 176 . 1 1 A 14 14 GLY HA3 H 14 3.511 3.988 -0.477 2 1 177 . 1 1 A 14 14 GLY C C 14 174.233 174.066 0.167 2 1 178 . 1 1 A 14 14 GLY CA C 14 45.063 45.077 -0.014 2 1 179 . 1 1 A 14 14 GLY N N 14 107.118 107.395 -0.277 2 1 180 . 1 1 A 15 15 ASP H H 15 8.325 8.093 0.232 2 1 181 . 1 1 A 15 15 ASP HA H 15 4.973 4.708 0.265 2 1 184 . 1 1 A 15 15 ASP C C 15 176.427 176.437 -0.010 2 1 185 . 1 1 A 15 15 ASP CA C 15 51.828 52.694 -0.866 2 1 186 . 1 1 A 15 15 ASP CB C 15 38.583 39.161 -0.578 2 1 187 . 1 1 A 15 15 ASP N N 15 125.524 120.549 4.975 2 1 188 . 1 1 A 16 16 ILE H H 16 7.615 7.905 -0.290 2 1 189 . 1 1 A 16 16 ILE HA H 16 3.353 3.673 -0.320 2 1 199 . 1 1 A 16 16 ILE C C 16 177.618 177.572 0.046 2 1 200 . 1 1 A 16 16 ILE CA C 16 62.996 64.912 -1.916 2 1 201 . 1 1 A 16 16 ILE CB C 16 35.856 37.548 -1.692 2 1 205 . 1 1 A 16 16 ILE N N 16 119.875 124.133 -4.258 2 1 206 . 1 1 A 17 17 GLU H H 17 8.844 8.200 0.644 2 1 207 . 1 1 A 17 17 GLU HA H 17 3.887 3.886 0.001 2 1 212 . 1 1 A 17 17 GLU C C 17 179.739 179.493 0.246 2 1 213 . 1 1 A 17 17 GLU CA C 17 60.364 59.690 0.674 2 1 214 . 1 1 A 17 17 GLU CB C 17 28.670 29.265 -0.595 2 1 216 . 1 1 A 17 17 GLU N N 17 120.080 119.900 0.180 2 1 217 . 1 1 A 18 18 ASN H H 18 7.768 7.943 -0.175 2 1 218 . 1 1 A 18 18 ASN HA H 18 4.535 4.433 0.102 2 1 223 . 1 1 A 18 18 ASN C C 18 178.197 177.885 0.312 2 1 224 . 1 1 A 18 18 ASN CA C 18 55.682 56.401 -0.719 2 1 225 . 1 1 A 18 18 ASN CB C 18 37.615 38.102 -0.487 2 1 226 . 1 1 A 18 18 ASN N N 18 116.056 118.684 -2.628 2 1 228 . 1 1 A 19 19 ALA H H 19 7.989 7.743 0.246 2 1 229 . 1 1 A 19 19 ALA HA H 19 3.870 4.043 -0.173 2 1 233 . 1 1 A 19 19 ALA C C 19 178.732 179.888 -1.157 2 1 234 . 1 1 A 19 19 ALA CA C 19 55.543 55.081 0.462 2 1 235 . 1 1 A 19 19 ALA CB C 19 18.362 18.381 -0.019 2 1 236 . 1 1 A 19 19 ALA N N 19 123.900 122.873 1.027 2 1 237 . 1 1 A 20 20 LEU H H 20 8.589 8.629 -0.040 2 1 238 . 1 1 A 20 20 LEU HA H 20 3.856 3.782 0.074 2 1 248 . 1 1 A 20 20 LEU C C 20 179.139 179.136 0.003 2 1 249 . 1 1 A 20 20 LEU CA C 20 58.169 58.032 0.137 2 1 250 . 1 1 A 20 20 LEU CB C 20 41.569 41.491 0.078 2 1 254 . 1 1 A 20 20 LEU N N 20 117.052 118.181 -1.129 2 1 255 . 1 1 A 21 21 GLN H H 21 7.439 8.335 -0.896 2 1 256 . 1 1 A 21 21 GLN HA H 21 4.029 4.039 -0.010 2 1 263 . 1 1 A 21 21 GLN C C 21 178.411 178.011 0.400 2 1 264 . 1 1 A 21 21 GLN CA C 21 58.730 58.595 0.135 2 1 265 . 1 1 A 21 21 GLN CB C 21 28.002 28.096 -0.094 2 1 267 . 1 1 A 21 21 GLN N N 21 118.218 117.538 0.680 2 1 269 . 1 1 A 22 22 ALA H H 22 7.848 7.705 0.143 2 1 270 . 1 1 A 22 22 ALA HA H 22 4.191 4.119 0.072 2 1 274 . 1 1 A 22 22 ALA C C 22 181.475 180.171 1.304 2 1 275 . 1 1 A 22 22 ALA CA C 22 54.631 54.813 -0.182 2 1 276 . 1 1 A 22 22 ALA CB C 22 17.907 18.437 -0.530 2 1 277 . 1 1 A 22 22 ALA N N 22 121.474 122.032 -0.558 2 1 278 . 1 1 A 23 23 LEU H H 23 8.751 8.262 0.488 2 1 279 . 1 1 A 23 23 LEU HA H 23 3.906 3.923 -0.017 2 1 289 . 1 1 A 23 23 LEU C C 23 177.996 179.199 -1.203 2 1 290 . 1 1 A 23 23 LEU CA C 23 58.155 58.064 0.091 2 1 291 . 1 1 A 23 23 LEU CB C 23 42.020 41.423 0.597 2 1 295 . 1 1 A 23 23 LEU N N 23 122.246 120.198 2.048 2 1 296 . 1 1 A 24 24 GLU H H 24 8.247 8.419 -0.172 2 1 297 . 1 1 A 24 24 GLU HA H 24 3.971 3.945 0.026 2 1 302 . 1 1 A 24 24 GLU C C 24 179.751 179.224 0.527 2 1 303 . 1 1 A 24 24 GLU CA C 24 59.506 59.577 -0.071 2 1 304 . 1 1 A 24 24 GLU CB C 24 28.849 29.163 -0.314 2 1 306 . 1 1 A 24 24 GLU N N 24 119.875 117.776 2.099 2 1 307 . 1 1 A 25 25 GLU H H 25 7.736 7.896 -0.160 2 1 308 . 1 1 A 25 25 GLU HA H 25 4.013 4.066 -0.053 2 1 313 . 1 1 A 25 25 GLU C C 25 179.204 179.114 0.090 2 1 314 . 1 1 A 25 25 GLU CA C 25 59.058 59.308 -0.250 2 1 315 . 1 1 A 25 25 GLU CB C 25 29.238 29.440 -0.202 2 1 317 . 1 1 A 25 25 GLU N N 25 118.451 120.079 -1.628 2 1 318 . 1 1 A 26 26 PHE H H 26 8.389 8.285 0.104 2 1 319 . 1 1 A 26 26 PHE HA H 26 4.218 4.089 0.129 2 1 327 . 1 1 A 26 26 PHE C C 26 178.732 177.137 1.595 2 1 328 . 1 1 A 26 26 PHE CA C 26 61.020 61.206 -0.186 2 1 329 . 1 1 A 26 26 PHE CB C 26 39.383 39.336 0.047 2 1 333 . 1 1 A 26 26 PHE N N 26 122.243 121.265 0.978 2 1 334 . 1 1 A 27 27 LEU H H 27 8.643 8.430 0.213 2 1 335 . 1 1 A 27 27 LEU HA H 27 3.666 3.932 -0.266 2 1 345 . 1 1 A 27 27 LEU C C 27 179.172 178.775 0.397 2 1 346 . 1 1 A 27 27 LEU CA C 27 57.728 57.492 0.236 2 1 347 . 1 1 A 27 27 LEU CB C 27 42.008 41.316 0.693 2 1 351 . 1 1 A 27 27 LEU N N 27 119.374 118.900 0.474 2 1 352 . 1 1 A 28 28 GLN H H 28 7.536 7.690 -0.154 2 1 353 . 1 1 A 28 28 GLN HA H 28 4.215 4.187 0.028 2 1 360 . 1 1 A 28 28 GLN C C 28 177.261 177.068 0.193 2 1 361 . 1 1 A 28 28 GLN CA C 28 57.287 57.751 -0.464 2 1 362 . 1 1 A 28 28 GLN CB C 28 28.832 28.985 -0.153 2 1 364 . 1 1 A 28 28 GLN N N 28 116.095 117.301 -1.206 2 1 366 . 1 1 A 29 29 THR H H 29 7.480 7.731 -0.251 2 1 367 . 1 1 A 29 29 THR HA H 29 4.332 4.316 0.016 2 1 372 . 1 1 A 29 29 THR C C 29 174.092 174.093 -0.001 2 1 373 . 1 1 A 29 29 THR CA C 29 62.533 63.452 -0.918 2 1 374 . 1 1 A 29 29 THR CB C 29 70.435 69.928 0.507 2 1 376 . 1 1 A 29 29 THR N N 29 108.609 113.634 -5.025 2 1 377 . 1 1 A 30 30 GLU H H 30 7.935 7.573 0.362 2 1 378 . 1 1 A 30 30 GLU HA H 30 4.221 4.601 -0.380 2 1 383 . 1 1 A 30 30 GLU CA C 30 54.719 53.582 1.137 2 1 384 . 1 1 A 30 30 GLU CB C 30 28.002 29.829 -1.827 2 1 386 . 1 1 A 30 30 GLU N N 30 119.400 119.170 0.230 2 1 387 . 1 1 A 31 31 PRO HA H 31 4.430 4.372 0.058 2 1 394 . 1 1 A 31 31 PRO C C 31 177.447 177.659 -0.212 2 1 395 . 1 1 A 31 31 PRO CA C 31 62.992 64.568 -1.576 2 1 396 . 1 1 A 31 31 PRO CB C 31 32.354 31.944 0.410 2 1 399 . 1 1 A 32 32 VAL H H 32 7.989 7.754 0.235 2 1 400 . 1 1 A 32 32 VAL HA H 32 4.211 3.992 0.219 2 1 408 . 1 1 A 32 32 VAL C C 32 176.778 177.279 -0.501 2 1 409 . 1 1 A 32 32 VAL CA C 32 62.755 64.432 -1.677 2 1 410 . 1 1 A 32 32 VAL CB C 32 32.697 31.848 0.849 2 1 412 . 1 1 A 32 32 VAL N N 32 118.439 116.391 2.048 2 1 413 . 1 1 A 33 33 GLY H H 33 8.764 7.878 0.886 2 1 414 . 1 1 A 33 33 GLY HA2 H 33 4.195 4.162 0.033 2 1 415 . 1 1 A 33 33 GLY HA3 H 33 4.195 4.315 -0.120 2 1 416 . 1 1 A 33 33 GLY C C 33 176.287 175.311 0.976 2 1 417 . 1 1 A 33 33 GLY CA C 33 45.917 45.664 0.253 2 1 418 . 1 1 A 33 33 GLY N N 33 111.588 108.594 2.994 2 1 419 . 1 1 A 34 34 LYS H H 34 8.296 7.785 0.510 2 1 420 . 1 1 A 34 34 LYS HA H 34 3.839 4.181 -0.342 2 1 429 . 1 1 A 34 34 LYS C C 34 177.040 179.190 -2.150 2 1 430 . 1 1 A 34 34 LYS CA C 34 59.883 59.592 0.291 2 1 431 . 1 1 A 34 34 LYS CB C 34 32.883 32.261 0.622 2 1 435 . 1 1 A 34 34 LYS N N 34 119.887 119.998 -0.111 2 1 436 . 1 1 A 35 35 ASP H H 35 9.065 8.676 0.389 2 1 437 . 1 1 A 35 35 ASP HA H 35 4.362 4.533 -0.171 2 1 440 . 1 1 A 35 35 ASP C C 35 177.018 178.627 -1.609 2 1 441 . 1 1 A 35 35 ASP CA C 35 57.636 57.296 0.340 2 1 442 . 1 1 A 35 35 ASP CB C 35 41.086 40.069 1.017 2 1 443 . 1 1 A 35 35 ASP N N 35 115.065 118.607 -3.542 2 1 444 . 1 1 A 36 36 GLU H H 36 7.474 8.259 -0.785 2 1 445 . 1 1 A 36 36 GLU HA H 36 4.275 4.100 0.175 2 1 450 . 1 1 A 36 36 GLU C C 36 178.261 178.505 -0.244 2 1 451 . 1 1 A 36 36 GLU CA C 36 59.046 59.524 -0.478 2 1 452 . 1 1 A 36 36 GLU CB C 36 29.283 29.317 -0.034 2 1 454 . 1 1 A 36 36 GLU N N 36 121.291 120.192 1.099 2 1 455 . 1 1 A 37 37 ALA H H 37 7.674 7.746 -0.072 2 1 456 . 1 1 A 37 37 ALA HA H 37 3.887 4.045 -0.158 2 1 460 . 1 1 A 37 37 ALA C C 37 179.161 179.691 -0.530 2 1 461 . 1 1 A 37 37 ALA CA C 37 55.091 55.078 0.013 2 1 462 . 1 1 A 37 37 ALA CB C 37 17.925 18.263 -0.338 2 1 463 . 1 1 A 37 37 ALA N N 37 120.365 122.225 -1.860 2 1 464 . 1 1 A 38 38 TYR H H 38 8.175 8.534 -0.359 2 1 465 . 1 1 A 38 38 TYR HA H 38 4.422 4.365 0.057 2 1 472 . 1 1 A 38 38 TYR C C 38 178.497 178.420 0.077 2 1 473 . 1 1 A 38 38 TYR CA C 38 62.662 60.998 1.664 2 1 474 . 1 1 A 38 38 TYR CB C 38 37.996 37.923 0.073 2 1 477 . 1 1 A 38 38 TYR N N 38 117.027 116.155 0.872 2 1 478 . 1 1 A 39 39 TYR H H 39 8.321 8.154 0.167 2 1 479 . 1 1 A 39 39 TYR HA H 39 4.413 4.377 0.036 2 1 486 . 1 1 A 39 39 TYR C C 39 176.311 177.151 -0.840 2 1 487 . 1 1 A 39 39 TYR CA C 39 60.856 61.828 -0.972 2 1 488 . 1 1 A 39 39 TYR CB C 39 38.015 38.942 -0.927 2 1 491 . 1 1 A 39 39 TYR N N 39 120.527 120.961 -0.434 2 1 492 . 1 1 A 40 40 LEU H H 40 8.508 8.550 -0.042 2 1 493 . 1 1 A 40 40 LEU HA H 40 3.585 3.878 -0.293 2 1 503 . 1 1 A 40 40 LEU C C 40 178.857 179.223 -0.366 2 1 504 . 1 1 A 40 40 LEU CA C 40 57.723 57.758 -0.035 2 1 505 . 1 1 A 40 40 LEU CB C 40 41.543 41.256 0.287 2 1 509 . 1 1 A 40 40 LEU N N 40 118.925 120.506 -1.581 2 1 510 . 1 1 A 41 41 MET H H 41 8.661 8.498 0.163 2 1 511 . 1 1 A 41 41 MET HA H 41 3.611 3.983 -0.372 2 1 519 . 1 1 A 41 41 MET C C 41 178.325 179.020 -0.695 2 1 520 . 1 1 A 41 41 MET CA C 41 59.498 59.170 0.328 2 1 521 . 1 1 A 41 41 MET CB C 41 32.806 32.653 0.153 2 1 524 . 1 1 A 41 41 MET N N 41 119.892 117.581 2.311 2 1 525 . 1 1 A 42 42 GLY H H 42 8.531 8.407 0.124 2 1 526 . 1 1 A 42 42 GLY HA2 H 42 3.564 2.989 0.575 2 1 527 . 1 1 A 42 42 GLY HA3 H 42 3.164 3.627 -0.463 2 1 528 . 1 1 A 42 42 GLY C C 42 174.726 175.823 -1.097 2 1 529 . 1 1 A 42 42 GLY CA C 42 48.104 47.056 1.048 2 1 530 . 1 1 A 42 42 GLY N N 42 107.064 108.629 -1.565 2 1 531 . 1 1 A 43 43 ASN H H 43 8.260 7.973 0.287 2 1 532 . 1 1 A 43 43 ASN HA H 43 4.334 4.523 -0.189 2 1 537 . 1 1 A 43 43 ASN C C 43 178.111 177.643 0.468 2 1 538 . 1 1 A 43 43 ASN CA C 43 54.966 56.385 -1.419 2 1 539 . 1 1 A 43 43 ASN CB C 43 36.326 38.588 -2.262 2 1 540 . 1 1 A 43 43 ASN N N 43 120.815 119.921 0.894 2 1 542 . 1 1 A 44 44 ALA H H 44 8.487 7.872 0.615 2 1 543 . 1 1 A 44 44 ALA HA H 44 3.788 3.966 -0.178 2 1 547 . 1 1 A 44 44 ALA C C 44 178.389 179.397 -1.008 2 1 548 . 1 1 A 44 44 ALA CA C 44 55.152 54.945 0.207 2 1 549 . 1 1 A 44 44 ALA CB C 44 16.897 18.059 -1.162 2 1 550 . 1 1 A 44 44 ALA N N 44 125.304 122.608 2.696 2 1 551 . 1 1 A 45 45 TYR H H 45 8.160 8.066 0.094 2 1 552 . 1 1 A 45 45 TYR HA H 45 4.168 4.242 -0.074 2 1 559 . 1 1 A 45 45 TYR C C 45 178.775 178.409 0.366 2 1 560 . 1 1 A 45 45 TYR CA C 45 62.995 61.668 1.327 2 1 561 . 1 1 A 45 45 TYR CB C 45 36.944 37.740 -0.796 2 1 564 . 1 1 A 45 45 TYR N N 45 115.156 116.000 -0.844 2 1 565 . 1 1 A 46 46 ARG H H 46 8.901 8.265 0.636 2 1 566 . 1 1 A 46 46 ARG HA H 46 3.677 3.664 0.012 2 1 573 . 1 1 A 46 46 ARG C C 46 179.396 178.650 0.746 2 1 574 . 1 1 A 46 46 ARG CA C 46 59.924 59.049 0.875 2 1 575 . 1 1 A 46 46 ARG CB C 46 30.131 29.765 0.367 2 1 578 . 1 1 A 46 46 ARG N N 46 121.781 120.317 1.464 2 1 579 . 1 1 A 47 47 LYS H H 47 7.813 7.529 0.283 2 1 580 . 1 1 A 47 47 LYS HA H 47 4.058 4.059 -0.001 2 1 589 . 1 1 A 47 47 LYS C C 47 178.111 179.224 -1.113 2 1 590 . 1 1 A 47 47 LYS CA C 47 58.950 58.874 0.076 2 1 591 . 1 1 A 47 47 LYS CB C 47 31.906 32.068 -0.162 2 1 595 . 1 1 A 47 47 LYS N N 47 120.818 119.008 1.810 2 1 596 . 1 1 A 48 48 LEU H H 48 7.312 7.313 -0.001 2 1 597 . 1 1 A 48 48 LEU HA H 48 4.228 4.019 0.209 2 1 607 . 1 1 A 48 48 LEU C C 48 177.254 176.962 0.292 2 1 608 . 1 1 A 48 48 LEU CA C 48 54.908 56.241 -1.333 2 1 609 . 1 1 A 48 48 LEU CB C 48 42.475 42.836 -0.361 2 1 613 . 1 1 A 48 48 LEU N N 48 116.553 117.534 -0.981 2 1 614 . 1 1 A 49 49 GLY H H 49 7.564 7.885 -0.321 2 1 615 . 1 1 A 49 49 GLY HA2 H 49 3.607 3.601 0.006 2 1 616 . 1 1 A 49 49 GLY HA3 H 49 2.316 3.864 -1.548 2 1 617 . 1 1 A 49 49 GLY C C 49 172.900 173.431 -0.531 2 1 618 . 1 1 A 49 49 GLY CA C 49 44.184 44.637 -0.453 2 1 619 . 1 1 A 49 49 GLY N N 49 107.326 105.712 1.614 2 1 620 . 1 1 A 50 50 ASP H H 50 7.670 7.654 0.016 2 1 621 . 1 1 A 50 50 ASP HA H 50 4.564 4.639 -0.075 2 1 624 . 1 1 A 50 50 ASP C C 50 175.681 176.044 -0.363 2 1 625 . 1 1 A 50 50 ASP CA C 50 51.083 52.810 -1.727 2 1 626 . 1 1 A 50 50 ASP CB C 50 39.169 41.094 -1.925 2 1 627 . 1 1 A 50 50 ASP N N 50 120.356 119.986 0.370 2 1 628 . 1 1 A 51 51 TRP H H 51 6.939 8.315 -1.376 2 1 629 . 1 1 A 51 51 TRP HA H 51 4.314 4.493 -0.179 2 1 638 . 1 1 A 51 51 TRP C C 51 178.047 178.714 -0.667 2 1 639 . 1 1 A 51 51 TRP CA C 51 58.473 59.607 -1.134 2 1 640 . 1 1 A 51 51 TRP CB C 51 30.099 29.563 0.536 2 1 646 . 1 1 A 51 51 TRP N N 51 121.784 125.534 -3.750 2 1 648 . 1 1 A 52 52 GLN H H 52 8.677 8.315 0.362 2 1 649 . 1 1 A 52 52 GLN HA H 52 3.960 3.959 0.001 2 1 656 . 1 1 A 52 52 GLN C C 52 178.454 178.637 -0.183 2 1 657 . 1 1 A 52 52 GLN CA C 52 58.925 59.026 -0.101 2 1 658 . 1 1 A 52 52 GLN CB C 52 28.183 28.459 -0.276 2 1 660 . 1 1 A 52 52 GLN N N 52 117.018 120.142 -3.124 2 1 662 . 1 1 A 53 53 LYS H H 53 7.392 8.311 -0.919 2 1 663 . 1 1 A 53 53 LYS HA H 53 3.774 3.780 -0.006 2 1 672 . 1 1 A 53 53 LYS C C 53 180.361 178.736 1.625 2 1 673 . 1 1 A 53 53 LYS CA C 53 59.764 59.011 0.753 2 1 674 . 1 1 A 53 53 LYS CB C 53 30.802 31.536 -0.734 2 1 678 . 1 1 A 53 53 LYS N N 53 117.913 118.971 -1.058 2 1 679 . 1 1 A 54 54 ALA H H 54 8.223 7.623 0.600 2 1 680 . 1 1 A 54 54 ALA HA H 54 4.012 3.869 0.143 2 1 684 . 1 1 A 54 54 ALA C C 54 177.635 180.014 -2.379 2 1 685 . 1 1 A 54 54 ALA CA C 54 55.792 55.005 0.787 2 1 686 . 1 1 A 54 54 ALA CB C 54 17.045 18.303 -1.258 2 1 687 . 1 1 A 54 54 ALA N N 54 123.665 121.990 1.675 2 1 688 . 1 1 A 55 55 LEU H H 55 8.425 8.509 -0.084 2 1 689 . 1 1 A 55 55 LEU HA H 55 4.010 4.057 -0.047 2 1 699 . 1 1 A 55 55 LEU C C 55 179.568 179.313 0.255 2 1 700 . 1 1 A 55 55 LEU CA C 55 58.611 58.279 0.332 2 1 701 . 1 1 A 55 55 LEU CB C 55 41.500 41.753 -0.253 2 1 705 . 1 1 A 55 55 LEU N N 55 116.583 118.474 -1.891 2 1 706 . 1 1 A 56 56 ASN H H 56 8.284 8.283 0.001 2 1 707 . 1 1 A 56 56 ASN HA H 56 4.360 4.453 -0.093 2 1 712 . 1 1 A 56 56 ASN C C 56 177.790 178.290 -0.500 2 1 713 . 1 1 A 56 56 ASN CA C 56 55.852 56.427 -0.575 2 1 714 . 1 1 A 56 56 ASN CB C 56 37.882 37.869 0.013 2 1 715 . 1 1 A 56 56 ASN N N 56 117.763 117.819 -0.056 2 1 717 . 1 1 A 57 57 ASN H H 57 7.600 7.965 -0.365 2 1 718 . 1 1 A 57 57 ASN HA H 57 4.425 4.477 -0.052 2 1 723 . 1 1 A 57 57 ASN C C 57 177.404 178.045 -0.641 2 1 724 . 1 1 A 57 57 ASN CA C 57 58.105 56.299 1.806 2 1 725 . 1 1 A 57 57 ASN CB C 57 38.931 38.387 0.544 2 1 726 . 1 1 A 57 57 ASN N N 57 118.927 117.631 1.296 2 1 728 . 1 1 A 58 58 TYR H H 58 8.838 8.278 0.559 2 1 729 . 1 1 A 58 58 TYR HA H 58 4.667 4.395 0.272 2 1 736 . 1 1 A 58 58 TYR C C 58 178.047 178.417 -0.370 2 1 737 . 1 1 A 58 58 TYR CA C 58 58.430 61.836 -3.406 2 1 738 . 1 1 A 58 58 TYR CB C 58 36.743 38.103 -1.360 2 1 741 . 1 1 A 58 58 TYR N N 58 118.473 119.054 -0.581 2 1 742 . 1 1 A 59 59 GLN H H 59 8.572 8.412 0.160 2 1 743 . 1 1 A 59 59 GLN HA H 59 4.022 3.993 0.029 2 1 750 . 1 1 A 59 59 GLN C C 59 178.040 178.190 -0.150 2 1 751 . 1 1 A 59 59 GLN CA C 59 59.054 58.917 0.137 2 1 752 . 1 1 A 59 59 GLN CB C 59 27.126 28.555 -1.429 2 1 754 . 1 1 A 59 59 GLN N N 59 118.483 120.329 -1.846 2 1 756 . 1 1 A 60 60 SER H H 60 7.696 7.980 -0.284 2 1 757 . 1 1 A 60 60 SER HA H 60 3.931 4.019 -0.088 2 1 760 . 1 1 A 60 60 SER C C 60 175.926 176.139 -0.213 2 1 761 . 1 1 A 60 60 SER CA C 60 62.121 61.522 0.599 2 1 762 . 1 1 A 60 60 SER CB C 60 61.244 62.156 -0.912 2 1 763 . 1 1 A 60 60 SER N N 60 116.103 116.783 -0.680 2 1 764 . 1 1 A 61 61 ALA H H 61 7.739 7.653 0.086 2 1 765 . 1 1 A 61 61 ALA HA H 61 4.075 4.257 -0.182 2 1 769 . 1 1 A 61 61 ALA C C 61 178.686 179.992 -1.306 2 1 770 . 1 1 A 61 61 ALA CA C 61 56.019 55.124 0.895 2 1 771 . 1 1 A 61 61 ALA CB C 61 18.790 18.557 0.233 2 1 772 . 1 1 A 61 61 ALA N N 61 122.319 122.918 -0.599 2 1 773 . 1 1 A 62 62 ILE H H 62 7.991 7.921 0.070 2 1 774 . 1 1 A 62 62 ILE HA H 62 3.857 3.719 0.138 2 1 784 . 1 1 A 62 62 ILE C C 62 178.131 177.991 0.140 2 1 785 . 1 1 A 62 62 ILE CA C 62 63.418 65.158 -1.740 2 1 786 . 1 1 A 62 62 ILE CB C 62 39.119 37.496 1.623 2 1 790 . 1 1 A 62 62 ILE N N 62 117.981 118.871 -0.890 2 1 791 . 1 1 A 63 63 GLU H H 63 7.988 8.350 -0.362 2 1 792 . 1 1 A 63 63 GLU HA H 63 3.902 4.104 -0.202 2 1 797 . 1 1 A 63 63 GLU C C 63 178.564 178.603 -0.039 2 1 798 . 1 1 A 63 63 GLU CA C 63 58.594 59.057 -0.463 2 1 799 . 1 1 A 63 63 GLU CB C 63 29.278 29.256 0.022 2 1 801 . 1 1 A 63 63 GLU N N 63 118.190 120.161 -1.971 2 1 802 . 1 1 A 64 64 LEU H H 64 7.024 7.357 -0.333 2 1 803 . 1 1 A 64 64 LEU HA H 64 4.347 4.269 0.078 2 1 813 . 1 1 A 64 64 LEU C C 64 177.496 176.978 0.518 2 1 814 . 1 1 A 64 64 LEU CA C 64 55.810 56.485 -0.675 2 1 815 . 1 1 A 64 64 LEU CB C 64 43.746 43.374 0.372 2 1 819 . 1 1 A 64 64 LEU N N 64 116.109 118.956 -2.847 2 1 820 . 1 1 A 65 65 ASN H H 65 8.270 8.278 -0.008 2 1 821 . 1 1 A 65 65 ASN HA H 65 5.068 5.104 -0.036 2 1 826 . 1 1 A 65 65 ASN C C 65 172.512 174.110 -1.598 2 1 827 . 1 1 A 65 65 ASN CA C 65 49.457 49.975 -0.518 2 1 828 . 1 1 A 65 65 ASN CB C 65 38.936 40.271 -1.335 2 1 829 . 1 1 A 65 65 ASN N N 65 116.544 115.515 1.029 2 1 831 . 1 1 A 66 66 PRO HA H 66 4.467 4.502 -0.035 2 1 838 . 1 1 A 66 66 PRO C C 66 176.054 176.615 -0.561 2 1 839 . 1 1 A 66 66 PRO CA C 66 63.894 64.174 -0.280 2 1 840 . 1 1 A 66 66 PRO CB C 66 31.935 31.901 0.034 2 1 843 . 1 1 A 67 67 ASP H H 67 7.326 8.125 -0.799 2 1 844 . 1 1 A 67 67 ASP HA H 67 4.863 4.817 0.046 2 1 847 . 1 1 A 67 67 ASP C C 67 175.647 175.443 0.204 2 1 848 . 1 1 A 67 67 ASP CA C 67 53.273 53.576 -0.303 2 1 849 . 1 1 A 67 67 ASP CB C 67 41.453 41.134 0.319 2 1 850 . 1 1 A 67 67 ASP N N 67 114.579 117.870 -3.291 2 1 851 . 1 1 A 68 68 SER H H 68 7.670 7.394 0.276 2 1 852 . 1 1 A 68 68 SER HA H 68 4.315 4.653 -0.338 2 1 856 . 1 1 A 68 68 SER C C 68 175.108 174.563 0.545 2 1 857 . 1 1 A 68 68 SER CA C 68 56.422 56.121 0.301 2 1 858 . 1 1 A 68 68 SER CB C 68 63.880 63.734 0.145 2 1 859 . 1 1 A 68 68 SER N N 68 115.624 115.825 -0.201 2 1 860 . 1 1 A 69 69 PRO HA H 69 4.588 4.414 0.174 2 1 867 . 1 1 A 69 69 PRO C C 69 177.083 177.301 -0.218 2 1 868 . 1 1 A 69 69 PRO CA C 69 63.870 64.197 -0.327 2 1 869 . 1 1 A 69 69 PRO CB C 69 30.612 31.459 -0.847 2 1 872 . 1 1 A 70 70 ALA H H 70 8.442 8.076 0.366 2 1 873 . 1 1 A 70 70 ALA HA H 70 3.679 4.198 -0.519 2 1 877 . 1 1 A 70 70 ALA C C 70 177.667 179.975 -2.308 2 1 878 . 1 1 A 70 70 ALA CA C 70 54.025 54.566 -0.541 2 1 879 . 1 1 A 70 70 ALA CB C 70 20.741 18.796 1.945 2 1 880 . 1 1 A 70 70 ALA N N 70 121.749 120.774 0.975 2 1 881 . 1 1 A 71 71 LEU H H 71 7.956 7.878 0.078 2 1 882 . 1 1 A 71 71 LEU HA H 71 3.883 3.936 -0.053 2 1 892 . 1 1 A 71 71 LEU C C 71 179.241 179.028 0.213 2 1 893 . 1 1 A 71 71 LEU CA C 71 58.602 58.094 0.508 2 1 894 . 1 1 A 71 71 LEU CB C 71 41.987 41.601 0.386 2 1 898 . 1 1 A 71 71 LEU N N 71 119.448 119.759 -0.311 2 1 899 . 1 1 A 72 72 GLN H H 72 7.464 7.976 -0.512 2 1 900 . 1 1 A 72 72 GLN HA H 72 4.049 4.085 -0.036 2 1 907 . 1 1 A 72 72 GLN C C 72 178.432 178.447 -0.015 2 1 908 . 1 1 A 72 72 GLN CA C 72 58.626 58.893 -0.267 2 1 909 . 1 1 A 72 72 GLN CB C 72 27.557 28.182 -0.625 2 1 911 . 1 1 A 72 72 GLN N N 72 117.976 117.838 0.138 2 1 913 . 1 1 A 73 73 ALA H H 73 7.296 7.942 -0.646 2 1 914 . 1 1 A 73 73 ALA HA H 73 4.017 3.935 0.082 2 1 918 . 1 1 A 73 73 ALA C C 73 178.775 179.270 -0.495 2 1 919 . 1 1 A 73 73 ALA CA C 73 54.688 54.986 -0.298 2 1 920 . 1 1 A 73 73 ALA CB C 73 17.473 17.759 -0.286 2 1 921 . 1 1 A 73 73 ALA N N 73 123.083 122.740 0.343 2 1 922 . 1 1 A 74 74 ARG H H 74 8.328 7.872 0.456 2 1 923 . 1 1 A 74 74 ARG HA H 74 3.820 4.165 -0.345 2 1 931 . 1 1 A 74 74 ARG C C 74 177.297 178.701 -1.404 2 1 932 . 1 1 A 74 74 ARG CA C 74 59.805 59.140 0.665 2 1 933 . 1 1 A 74 74 ARG CB C 74 29.773 29.848 -0.075 2 1 936 . 1 1 A 74 74 ARG N N 74 117.535 118.315 -0.780 2 1 938 . 1 1 A 75 75 LYS H H 75 7.123 7.739 -0.616 2 1 939 . 1 1 A 75 75 LYS HA H 75 3.960 4.074 -0.114 2 1 948 . 1 1 A 75 75 LYS C C 75 178.071 178.915 -0.844 2 1 949 . 1 1 A 75 75 LYS CA C 75 59.488 59.193 0.295 2 1 950 . 1 1 A 75 75 LYS CB C 75 31.928 32.018 -0.090 2 1 954 . 1 1 A 75 75 LYS N N 75 119.136 118.867 0.269 2 1 955 . 1 1 A 76 76 MET H H 76 7.673 8.184 -0.511 2 1 956 . 1 1 A 76 76 MET HA H 76 4.205 4.107 0.098 2 1 964 . 1 1 A 76 76 MET C C 76 178.925 178.410 0.515 2 1 965 . 1 1 A 76 76 MET CA C 76 58.637 58.627 0.010 2 1 966 . 1 1 A 76 76 MET CB C 76 32.344 32.312 0.032 2 1 969 . 1 1 A 76 76 MET N N 76 116.794 118.924 -2.130 2 1 970 . 1 1 A 77 77 VAL H H 77 7.928 8.102 -0.174 2 1 971 . 1 1 A 77 77 VAL HA H 77 3.601 3.441 0.160 2 1 979 . 1 1 A 77 77 VAL C C 77 177.318 178.000 -0.682 2 1 980 . 1 1 A 77 77 VAL CA C 77 66.468 66.652 -0.184 2 1 981 . 1 1 A 77 77 VAL CB C 77 31.477 31.726 -0.249 2 1 984 . 1 1 A 77 77 VAL N N 77 117.999 119.691 -1.692 2 1 985 . 1 1 A 78 78 MET H H 78 8.446 8.183 0.263 2 1 986 . 1 1 A 78 78 MET HA H 78 4.136 4.166 -0.030 2 1 994 . 1 1 A 78 78 MET C C 78 178.542 178.023 0.519 2 1 995 . 1 1 A 78 78 MET CA C 78 58.514 58.580 -0.066 2 1 996 . 1 1 A 78 78 MET CB C 78 31.036 32.404 -1.367 2 1 999 . 1 1 A 78 78 MET N N 78 119.079 117.601 1.478 2 1 1000 . 1 1 A 79 79 ASP H H 79 8.202 8.174 0.028 2 1 1001 . 1 1 A 79 79 ASP HA H 79 4.419 4.244 0.175 2 1 1004 . 1 1 A 79 79 ASP C C 79 179.097 178.437 0.660 2 1 1005 . 1 1 A 79 79 ASP CA C 79 57.277 57.482 -0.205 2 1 1006 . 1 1 A 79 79 ASP CB C 79 39.813 41.222 -1.409 2 1 1007 . 1 1 A 79 79 ASP N N 79 119.422 119.959 -0.537 2 1 1008 . 1 1 A 80 80 ILE H H 80 7.625 7.775 -0.150 2 1 1009 . 1 1 A 80 80 ILE HA H 80 3.643 3.416 0.227 2 1 1019 . 1 1 A 80 80 ILE C C 80 178.024 178.138 -0.114 2 1 1020 . 1 1 A 80 80 ILE CA C 80 64.717 65.044 -0.327 2 1 1021 . 1 1 A 80 80 ILE CB C 80 37.661 37.399 0.262 2 1 1025 . 1 1 A 80 80 ILE N N 80 121.750 119.412 2.338 2 1 1026 . 1 1 A 81 81 LEU H H 81 8.071 8.217 -0.146 2 1 1027 . 1 1 A 81 81 LEU HA H 81 3.908 3.850 0.058 2 1 1037 . 1 1 A 81 81 LEU C C 81 178.852 178.998 -0.146 2 1 1038 . 1 1 A 81 81 LEU CA C 81 57.329 57.910 -0.581 2 1 1039 . 1 1 A 81 81 LEU CB C 81 41.544 40.791 0.753 2 1 1043 . 1 1 A 81 81 LEU N N 81 119.850 119.138 0.712 2 1 1044 . 1 1 A 82 82 ASN H H 82 8.188 8.060 0.128 2 1 1045 . 1 1 A 82 82 ASN HA H 82 4.417 4.045 0.372 2 1 1050 . 1 1 A 82 82 ASN C C 82 176.440 177.528 -1.088 2 1 1051 . 1 1 A 82 82 ASN CA C 82 55.011 56.004 -0.993 2 1 1052 . 1 1 A 82 82 ASN CB C 82 38.461 38.343 0.118 2 1 1053 . 1 1 A 82 82 ASN N N 82 116.186 117.530 -1.344 2 1 1055 . 1 1 A 83 83 PHE H H 83 7.779 7.781 -0.002 2 1 1056 . 1 1 A 83 83 PHE HA H 83 4.352 4.132 0.220 2 1 1064 . 1 1 A 83 83 PHE C C 83 176.767 176.992 -0.225 2 1 1065 . 1 1 A 83 83 PHE CA C 83 59.557 60.945 -1.388 2 1 1066 . 1 1 A 83 83 PHE CB C 83 38.944 38.643 0.301 2 1 1070 . 1 1 A 83 83 PHE N N 83 118.925 119.660 -0.735 2 1 1071 . 1 1 A 84 84 TYR H H 84 8.057 7.857 0.200 2 1 1072 . 1 1 A 84 84 TYR HA H 84 4.388 4.354 0.034 2 1 1079 . 1 1 A 84 84 TYR C C 84 176.233 175.992 0.241 2 1 1080 . 1 1 A 84 84 TYR CA C 84 59.261 59.895 -0.634 2 1 1081 . 1 1 A 84 84 TYR CB C 84 38.503 39.023 -0.520 2 1 1084 . 1 1 A 84 84 TYR N N 84 118.223 116.987 1.236 2 1 1085 . 1 1 A 85 85 ASN H H 85 8.192 8.116 0.076 2 1 1086 . 1 1 A 85 85 ASN HA H 85 4.679 5.019 -0.340 2 1 1091 . 1 1 A 85 85 ASN C C 85 175.367 174.982 0.385 2 1 1092 . 1 1 A 85 85 ASN CA C 85 53.261 52.214 1.047 2 1 1093 . 1 1 A 85 85 ASN CB C 85 38.501 40.818 -2.317 2 1 1094 . 1 1 A 85 85 ASN N N 85 118.935 113.628 5.307 2 1 1096 . 1 1 A 86 86 LYS H H 86 8.151 8.610 -0.459 2 1 1097 . 1 1 A 86 86 LYS HA H 86 4.151 4.474 -0.323 2 1 1106 . 1 1 A 86 86 LYS C C 86 176.981 177.643 -0.662 2 1 1107 . 1 1 A 86 86 LYS CA C 86 57.714 57.153 0.561 2 1 1108 . 1 1 A 86 86 LYS CB C 86 32.368 32.878 -0.510 2 1 1112 . 1 1 A 86 86 LYS N N 86 121.533 121.627 -0.094 2 1 1113 . 1 1 A 87 87 ASP H H 87 8.269 8.210 0.059 2 1 1114 . 1 1 A 87 87 ASP HA H 87 4.553 4.435 0.118 2 1 1117 . 1 1 A 87 87 ASP C C 87 177.209 178.220 -1.011 2 1 1118 . 1 1 A 87 87 ASP CA C 87 55.538 57.057 -1.519 2 1 1119 . 1 1 A 87 87 ASP CB C 87 40.677 40.833 -0.156 2 1 1120 . 1 1 A 87 87 ASP N N 87 119.408 120.007 -0.599 2 1 1121 . 1 1 A 88 88 MET H H 88 7.941 8.219 -0.278 2 1 1122 . 1 1 A 88 88 MET HA H 88 4.257 4.361 -0.104 2 1 1130 . 1 1 A 88 88 MET C C 88 176.851 177.630 -0.779 2 1 1131 . 1 1 A 88 88 MET CA C 88 56.461 57.485 -1.024 2 1 1132 . 1 1 A 88 88 MET CB C 88 32.371 32.601 -0.230 2 1 1135 . 1 1 A 88 88 MET N N 88 119.377 118.150 1.227 2 1 1136 . 1 1 A 89 89 TYR H H 89 8.094 7.981 0.113 2 1 1137 . 1 1 A 89 89 TYR HA H 89 4.350 4.197 0.153 2 1 1144 . 1 1 A 89 89 TYR C C 89 176.252 177.469 -1.217 2 1 1145 . 1 1 A 89 89 TYR CA C 89 59.097 60.780 -1.683 2 1 1146 . 1 1 A 89 89 TYR CB C 89 38.051 38.661 -0.611 2 1 1149 . 1 1 A 89 89 TYR N N 89 119.418 121.776 -2.358 2 1 1150 . 1 1 A 90 90 ASN H H 90 8.244 8.399 -0.155 2 1 1151 . 1 1 A 90 90 ASN HA H 90 4.573 4.388 0.185 2 1 1156 . 1 1 A 90 90 ASN C C 90 175.907 176.601 -0.694 2 1 1157 . 1 1 A 90 90 ASN CA C 90 53.867 55.014 -1.147 2 1 1158 . 1 1 A 90 90 ASN CB C 90 38.479 38.169 0.310 2 1 1159 . 1 1 A 90 90 ASN N N 90 118.918 117.857 1.061 2 1 1161 . 1 1 A 91 91 GLN H H 91 8.176 7.885 0.291 2 1 1162 . 1 1 A 91 91 GLN HA H 91 4.216 4.159 0.057 2 1 1169 . 1 1 A 91 91 GLN C C 91 176.568 177.961 -1.393 2 1 1170 . 1 1 A 91 91 GLN CA C 91 56.600 57.968 -1.368 2 1 1171 . 1 1 A 91 91 GLN CB C 91 28.859 28.731 0.128 2 1 1173 . 1 1 A 91 91 GLN N N 91 119.648 118.617 1.031 2 1 1175 . 1 1 A 92 92 LEU H H 92 8.015 7.639 0.376 2 1 1176 . 1 1 A 92 92 LEU HA H 92 4.214 4.098 0.117 2 1 1186 . 1 1 A 92 92 LEU C C 92 177.661 177.174 0.487 2 1 1187 . 1 1 A 92 92 LEU CA C 92 55.550 57.067 -1.517 2 1 1188 . 1 1 A 92 92 LEU CB C 92 41.994 41.936 0.058 2 1 1192 . 1 1 A 92 92 LEU N N 92 121.059 119.037 2.022 2 1 1193 . 1 1 A 93 93 GLU H H 93 8.132 7.618 0.514 2 1 1194 . 1 1 A 93 93 GLU HA H 93 4.099 4.384 -0.285 2 1 1199 . 1 1 A 93 93 GLU C C 93 176.461 175.574 0.887 2 1 1200 . 1 1 A 93 93 GLU CA C 93 56.838 55.472 1.366 2 1 1201 . 1 1 A 93 93 GLU CB C 93 29.803 30.197 -0.394 2 1 1203 . 1 1 A 93 93 GLU N N 93 119.896 117.893 2.003 2 1 1204 . 1 1 A 94 94 HIS H H 94 8.134 8.453 -0.319 2 1 1205 . 1 1 A 94 94 HIS C C 94 174.994 174.683 0.311 2 1 1206 . 1 1 A 94 94 HIS CA C 94 56.075 55.641 0.434 2 1 1207 . 1 1 A 94 94 HIS CB C 94 29.997 29.889 0.108 2 stop_ save_