data_10258_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10258 _Entry.PDB_ID 2DJS _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 6 6 SER HA H 6 4.523 4.300 0.223 1 1 3 . 1 1 1 A 6 6 SER CA C 6 58.535 58.308 0.227 1 1 4 . 1 1 1 A 6 6 SER CB C 6 64.106 63.566 0.540 1 1 5 . 1 1 1 A 7 7 GLY H H 7 8.202 8.746 -0.544 1 1 6 . 1 1 1 A 7 7 GLY HA2 H 7 3.881 4.150 -0.269 1 1 7 . 1 1 1 A 7 7 GLY HA3 H 7 3.740 4.153 -0.413 1 1 8 . 1 1 1 A 7 7 GLY CA C 7 44.322 43.870 0.452 1 1 9 . 1 1 1 A 7 7 GLY N N 7 109.573 114.447 -4.874 1 1 10 . 1 1 1 A 8 8 PRO HA H 8 4.641 4.499 0.142 1 1 17 . 1 1 1 A 8 8 PRO C C 8 176.480 176.681 -0.201 1 1 18 . 1 1 1 A 8 8 PRO CA C 8 62.582 62.588 -0.006 1 1 19 . 1 1 1 A 8 8 PRO CB C 8 32.331 32.227 0.104 1 1 22 . 1 1 1 A 9 9 SER H H 9 8.061 8.488 -0.427 1 1 23 . 1 1 1 A 9 9 SER HA H 9 4.374 4.459 -0.085 1 1 26 . 1 1 1 A 9 9 SER C C 9 173.090 173.581 -0.491 1 1 27 . 1 1 1 A 9 9 SER CA C 9 58.754 58.358 0.396 1 1 28 . 1 1 1 A 9 9 SER CB C 9 63.667 64.267 -0.600 1 1 29 . 1 1 1 A 9 9 SER N N 9 115.137 117.307 -2.170 1 1 30 . 1 1 1 A 10 10 THR H H 10 8.359 8.451 -0.092 1 1 31 . 1 1 1 A 10 10 THR HA H 10 4.027 4.895 -0.868 1 1 36 . 1 1 1 A 10 10 THR C C 10 175.380 173.055 2.325 1 1 37 . 1 1 1 A 10 10 THR CA C 10 62.781 60.620 2.161 1 1 38 . 1 1 1 A 10 10 THR CB C 10 69.617 72.138 -2.521 1 1 40 . 1 1 1 A 10 10 THR N N 10 115.079 116.886 -1.807 1 1 41 . 1 1 1 A 11 11 VAL H H 11 9.280 8.736 0.544 1 1 42 . 1 1 1 A 11 11 VAL HA H 11 4.097 4.139 -0.042 1 1 50 . 1 1 1 A 11 11 VAL C C 11 175.706 176.212 -0.506 1 1 51 . 1 1 1 A 11 11 VAL CA C 11 61.518 60.999 0.519 1 1 52 . 1 1 1 A 11 11 VAL CB C 11 33.174 32.155 1.019 1 1 55 . 1 1 1 A 11 11 VAL N N 11 131.182 126.666 4.516 1 1 56 . 1 1 1 A 12 12 PRO HA H 12 4.415 4.475 -0.060 1 1 63 . 1 1 1 A 12 12 PRO C C 12 175.612 176.320 -0.708 1 1 64 . 1 1 1 A 12 12 PRO CA C 12 64.850 64.843 0.007 1 1 65 . 1 1 1 A 12 12 PRO CB C 12 32.578 32.232 0.346 1 1 68 . 1 1 1 A 13 13 ILE H H 13 7.251 7.535 -0.284 1 1 69 . 1 1 1 A 13 13 ILE HA H 13 4.439 4.617 -0.178 1 1 79 . 1 1 1 A 13 13 ILE C C 13 170.969 173.118 -2.149 1 1 80 . 1 1 1 A 13 13 ILE CA C 13 59.973 59.363 0.610 1 1 81 . 1 1 1 A 13 13 ILE CB C 13 40.776 41.785 -1.009 1 1 85 . 1 1 1 A 13 13 ILE N N 13 115.827 115.938 -0.111 1 1 86 . 1 1 1 A 14 14 MET H H 14 6.827 8.756 -1.929 1 1 87 . 1 1 1 A 14 14 MET HA H 14 4.961 5.331 -0.370 1 1 95 . 1 1 1 A 14 14 MET C C 14 173.380 174.661 -1.281 1 1 96 . 1 1 1 A 14 14 MET CA C 14 55.214 53.913 1.301 1 1 97 . 1 1 1 A 14 14 MET CB C 14 38.223 35.098 3.125 1 1 100 . 1 1 1 A 14 14 MET N N 14 116.754 125.775 -9.021 1 1 101 . 1 1 1 A 15 15 HIS H H 15 9.417 9.540 -0.123 1 1 102 . 1 1 1 A 15 15 HIS HA H 15 4.958 5.249 -0.291 1 1 107 . 1 1 1 A 15 15 HIS C C 15 173.901 174.135 -0.234 1 1 108 . 1 1 1 A 15 15 HIS CA C 15 55.190 54.206 0.984 1 1 109 . 1 1 1 A 15 15 HIS CB C 15 33.361 33.302 0.059 1 1 112 . 1 1 1 A 15 15 HIS N N 15 118.539 119.166 -0.627 1 1 113 . 1 1 1 A 16 16 GLN H H 16 9.164 8.901 0.263 1 1 114 . 1 1 1 A 16 16 GLN HA H 16 4.385 4.520 -0.135 1 1 121 . 1 1 1 A 16 16 GLN C C 16 175.463 175.163 0.300 1 1 122 . 1 1 1 A 16 16 GLN CA C 16 55.992 55.139 0.853 1 1 123 . 1 1 1 A 16 16 GLN CB C 16 29.159 30.233 -1.074 1 1 125 . 1 1 1 A 16 16 GLN N N 16 123.267 124.628 -1.361 1 1 127 . 1 1 1 A 17 17 VAL H H 17 8.983 8.891 0.092 1 1 128 . 1 1 1 A 17 17 VAL HA H 17 3.910 4.146 -0.236 1 1 136 . 1 1 1 A 17 17 VAL C C 17 176.328 176.009 0.319 1 1 137 . 1 1 1 A 17 17 VAL CA C 17 63.807 63.290 0.517 1 1 138 . 1 1 1 A 17 17 VAL CB C 17 33.088 33.237 -0.149 1 1 141 . 1 1 1 A 17 17 VAL N N 17 128.880 126.151 2.729 1 1 142 . 1 1 1 A 18 18 SER H H 18 7.740 7.822 -0.082 1 1 143 . 1 1 1 A 18 18 SER HA H 18 4.589 4.746 -0.157 1 1 146 . 1 1 1 A 18 18 SER C C 18 171.965 172.533 -0.568 1 1 147 . 1 1 1 A 18 18 SER CA C 18 57.441 57.582 -0.141 1 1 148 . 1 1 1 A 18 18 SER CB C 18 64.058 65.554 -1.496 1 1 149 . 1 1 1 A 18 18 SER N N 18 110.447 111.815 -1.368 1 1 150 . 1 1 1 A 19 19 ALA H H 19 8.114 8.418 -0.304 1 1 151 . 1 1 1 A 19 19 ALA HA H 19 5.086 4.806 0.280 1 1 155 . 1 1 1 A 19 19 ALA C C 19 176.404 176.108 0.296 1 1 156 . 1 1 1 A 19 19 ALA CA C 19 52.453 51.679 0.774 1 1 157 . 1 1 1 A 19 19 ALA CB C 19 23.038 22.887 0.151 1 1 158 . 1 1 1 A 19 19 ALA N N 19 121.116 121.536 -0.420 1 1 159 . 1 1 1 A 20 20 THR H H 20 8.710 8.347 0.363 1 1 160 . 1 1 1 A 20 20 THR HA H 20 4.787 4.891 -0.104 1 1 165 . 1 1 1 A 20 20 THR C C 20 175.596 174.878 0.718 1 1 166 . 1 1 1 A 20 20 THR CA C 20 60.341 59.979 0.362 1 1 167 . 1 1 1 A 20 20 THR CB C 20 71.307 71.065 0.242 1 1 169 . 1 1 1 A 20 20 THR N N 20 110.762 110.926 -0.164 1 1 170 . 1 1 1 A 21 21 MET H H 21 8.686 8.785 -0.099 1 1 171 . 1 1 1 A 21 21 MET HA H 21 4.618 4.367 0.251 1 1 179 . 1 1 1 A 21 21 MET C C 21 174.754 176.677 -1.923 1 1 180 . 1 1 1 A 21 21 MET CA C 21 59.272 57.106 2.166 1 1 181 . 1 1 1 A 21 21 MET CB C 21 34.488 32.651 1.837 1 1 184 . 1 1 1 A 21 21 MET N N 21 118.478 120.148 -1.670 1 1 185 . 1 1 1 A 22 22 ARG H H 22 7.296 7.866 -0.570 1 1 186 . 1 1 1 A 22 22 ARG HA H 22 4.453 4.642 -0.189 1 1 193 . 1 1 1 A 22 22 ARG C C 22 174.722 175.203 -0.481 1 1 194 . 1 1 1 A 22 22 ARG CA C 22 54.218 55.462 -1.244 1 1 195 . 1 1 1 A 22 22 ARG CB C 22 32.509 31.515 0.994 1 1 198 . 1 1 1 A 22 22 ARG N N 22 108.176 117.025 -8.849 1 1 199 . 1 1 1 A 23 23 SER H H 23 7.387 7.799 -0.412 1 1 200 . 1 1 1 A 23 23 SER HA H 23 5.353 5.148 0.205 1 1 203 . 1 1 1 A 23 23 SER C C 23 171.910 172.428 -0.518 1 1 204 . 1 1 1 A 23 23 SER CA C 23 57.230 57.559 -0.329 1 1 205 . 1 1 1 A 23 23 SER CB C 23 68.011 67.585 0.426 1 1 206 . 1 1 1 A 23 23 SER N N 23 114.861 114.602 0.259 1 1 207 . 1 1 1 A 24 24 ILE H H 24 8.061 8.246 -0.185 1 1 208 . 1 1 1 A 24 24 ILE HA H 24 4.470 4.655 -0.185 1 1 218 . 1 1 1 A 24 24 ILE C C 24 174.028 174.510 -0.482 1 1 219 . 1 1 1 A 24 24 ILE CA C 24 61.402 60.081 1.321 1 1 220 . 1 1 1 A 24 24 ILE CB C 24 43.249 41.763 1.486 1 1 224 . 1 1 1 A 24 24 ILE N N 24 116.152 120.987 -4.835 1 1 225 . 1 1 1 A 25 25 THR H H 25 8.584 8.707 -0.123 1 1 226 . 1 1 1 A 25 25 THR HA H 25 5.107 4.909 0.198 1 1 231 . 1 1 1 A 25 25 THR C C 25 173.463 173.286 0.177 1 1 232 . 1 1 1 A 25 25 THR CA C 25 62.127 61.559 0.568 1 1 233 . 1 1 1 A 25 25 THR CB C 25 68.954 70.426 -1.472 1 1 235 . 1 1 1 A 25 25 THR N N 25 122.080 123.427 -1.347 1 1 236 . 1 1 1 A 26 26 LEU H H 26 9.093 8.531 0.562 1 1 237 . 1 1 1 A 26 26 LEU HA H 26 5.427 4.951 0.476 1 1 247 . 1 1 1 A 26 26 LEU C C 26 175.180 174.988 0.192 1 1 248 . 1 1 1 A 26 26 LEU CA C 26 53.181 53.326 -0.145 1 1 249 . 1 1 1 A 26 26 LEU CB C 26 46.902 46.629 0.273 1 1 253 . 1 1 1 A 26 26 LEU N N 26 128.231 126.448 1.783 1 1 254 . 1 1 1 A 27 27 SER H H 27 9.260 8.718 0.542 1 1 255 . 1 1 1 A 27 27 SER HA H 27 4.757 5.013 -0.256 1 1 258 . 1 1 1 A 27 27 SER C C 27 172.413 173.069 -0.656 1 1 259 . 1 1 1 A 27 27 SER CA C 27 56.912 57.247 -0.335 1 1 260 . 1 1 1 A 27 27 SER CB C 27 66.220 66.033 0.187 1 1 261 . 1 1 1 A 27 27 SER N N 27 115.325 112.969 2.356 1 1 262 . 1 1 1 A 28 28 TRP H H 28 7.430 7.962 -0.532 1 1 263 . 1 1 1 A 28 28 TRP HA H 28 5.212 5.324 -0.112 1 1 272 . 1 1 1 A 28 28 TRP C C 28 171.555 173.121 -1.566 1 1 273 . 1 1 1 A 28 28 TRP CA C 28 55.143 54.970 0.173 1 1 274 . 1 1 1 A 28 28 TRP CB C 28 28.918 31.529 -2.611 1 1 280 . 1 1 1 A 28 28 TRP N N 28 119.703 119.158 0.545 1 1 282 . 1 1 1 A 29 29 PRO HA H 29 4.543 4.548 -0.005 1 1 289 . 1 1 1 A 29 29 PRO C C 29 175.962 176.278 -0.316 1 1 290 . 1 1 1 A 29 29 PRO CA C 29 61.702 62.925 -1.223 1 1 291 . 1 1 1 A 29 29 PRO CB C 29 32.041 32.136 -0.095 1 1 294 . 1 1 1 A 30 30 GLN H H 30 8.248 8.496 -0.248 1 1 295 . 1 1 1 A 30 30 GLN HA H 30 4.654 4.585 0.069 1 1 302 . 1 1 1 A 30 30 GLN C C 30 174.856 174.814 0.042 1 1 303 . 1 1 1 A 30 30 GLN CA C 30 54.524 54.053 0.471 1 1 304 . 1 1 1 A 30 30 GLN CB C 30 28.623 29.445 -0.822 1 1 306 . 1 1 1 A 30 30 GLN N N 30 117.321 121.484 -4.163 1 1 308 . 1 1 1 A 31 31 PRO HA H 31 4.116 4.799 -0.683 1 1 315 . 1 1 1 A 31 31 PRO C C 31 175.787 176.097 -0.310 1 1 316 . 1 1 1 A 31 31 PRO CA C 31 63.364 63.012 0.352 1 1 317 . 1 1 1 A 31 31 PRO CB C 31 32.503 33.277 -0.774 1 1 320 . 1 1 1 A 32 32 GLU H H 32 8.367 8.344 0.023 1 1 321 . 1 1 1 A 32 32 GLU HA H 32 4.004 4.494 -0.490 1 1 326 . 1 1 1 A 32 32 GLU C C 32 176.748 176.865 -0.117 1 1 327 . 1 1 1 A 32 32 GLU CA C 32 58.644 56.395 2.249 1 1 328 . 1 1 1 A 32 32 GLU CB C 32 30.271 30.812 -0.541 1 1 330 . 1 1 1 A 32 32 GLU N N 32 122.959 117.821 5.138 1 1 331 . 1 1 1 A 33 33 GLN H H 33 8.220 7.675 0.545 1 1 332 . 1 1 1 A 33 33 GLN HA H 33 4.820 4.894 -0.074 1 1 339 . 1 1 1 A 33 33 GLN C C 33 172.938 174.283 -1.345 1 1 340 . 1 1 1 A 33 33 GLN CA C 33 52.544 53.490 -0.946 1 1 341 . 1 1 1 A 33 33 GLN CB C 33 29.077 29.183 -0.106 1 1 343 . 1 1 1 A 33 33 GLN N N 33 116.413 119.431 -3.018 1 1 345 . 1 1 1 A 34 34 PRO HA H 34 4.039 4.399 -0.360 1 1 352 . 1 1 1 A 34 34 PRO C C 34 175.293 176.623 -1.330 1 1 353 . 1 1 1 A 34 34 PRO CA C 34 64.248 63.633 0.615 1 1 354 . 1 1 1 A 34 34 PRO CB C 34 31.974 32.110 -0.136 1 1 357 . 1 1 1 A 35 35 ASN H H 35 8.478 8.179 0.299 1 1 358 . 1 1 1 A 35 35 ASN HA H 35 4.270 4.396 -0.126 1 1 363 . 1 1 1 A 35 35 ASN C C 35 173.982 174.731 -0.749 1 1 364 . 1 1 1 A 35 35 ASN CA C 35 53.655 54.495 -0.840 1 1 365 . 1 1 1 A 35 35 ASN CB C 35 37.151 37.273 -0.122 1 1 366 . 1 1 1 A 35 35 ASN N N 35 111.907 115.444 -3.537 1 1 368 . 1 1 1 A 36 36 GLY H H 36 7.537 8.151 -0.614 1 1 369 . 1 1 1 A 36 36 GLY HA2 H 36 4.247 4.069 0.178 1 1 370 . 1 1 1 A 36 36 GLY HA3 H 36 3.749 4.078 -0.329 1 1 371 . 1 1 1 A 36 36 GLY C C 36 172.062 172.469 -0.407 1 1 372 . 1 1 1 A 36 36 GLY CA C 36 44.147 44.480 -0.333 1 1 373 . 1 1 1 A 36 36 GLY N N 36 105.149 105.479 -0.330 1 1 374 . 1 1 1 A 37 37 ILE H H 37 8.107 8.224 -0.117 1 1 375 . 1 1 1 A 37 37 ILE HA H 37 4.017 4.712 -0.695 1 1 385 . 1 1 1 A 37 37 ILE C C 37 176.534 175.375 1.159 1 1 386 . 1 1 1 A 37 37 ILE CA C 37 60.331 60.211 0.120 1 1 387 . 1 1 1 A 37 37 ILE CB C 37 38.929 39.693 -0.764 1 1 391 . 1 1 1 A 37 37 ILE N N 37 120.104 121.957 -1.853 1 1 392 . 1 1 1 A 38 38 ILE H H 38 8.678 8.821 -0.143 1 1 393 . 1 1 1 A 38 38 ILE HA H 38 3.695 4.032 -0.337 1 1 403 . 1 1 1 A 38 38 ILE C C 38 176.027 175.087 0.940 1 1 404 . 1 1 1 A 38 38 ILE CA C 38 61.811 61.330 0.481 1 1 405 . 1 1 1 A 38 38 ILE CB C 38 37.028 36.676 0.352 1 1 409 . 1 1 1 A 38 38 ILE N N 38 127.591 128.348 -0.757 1 1 410 . 1 1 1 A 39 39 LEU H H 39 9.054 8.444 0.610 1 1 411 . 1 1 1 A 39 39 LEU HA H 39 4.188 3.998 0.190 1 1 421 . 1 1 1 A 39 39 LEU C C 39 176.826 176.509 0.317 1 1 422 . 1 1 1 A 39 39 LEU CA C 39 56.416 57.476 -1.060 1 1 423 . 1 1 1 A 39 39 LEU CB C 39 42.664 42.163 0.501 1 1 427 . 1 1 1 A 39 39 LEU N N 39 130.577 129.582 0.995 1 1 428 . 1 1 1 A 40 40 ASP H H 40 7.502 7.515 -0.013 1 1 429 . 1 1 1 A 40 40 ASP HA H 40 4.392 4.881 -0.489 1 1 432 . 1 1 1 A 40 40 ASP C C 40 171.781 173.118 -1.337 1 1 433 . 1 1 1 A 40 40 ASP CA C 40 52.884 52.868 0.016 1 1 434 . 1 1 1 A 40 40 ASP CB C 40 41.985 43.459 -1.474 1 1 435 . 1 1 1 A 40 40 ASP N N 40 112.731 113.346 -0.615 1 1 436 . 1 1 1 A 41 41 TYR H H 41 8.974 8.881 0.093 1 1 437 . 1 1 1 A 41 41 TYR HA H 41 5.379 5.375 0.004 1 1 444 . 1 1 1 A 41 41 TYR C C 41 175.555 175.108 0.447 1 1 445 . 1 1 1 A 41 41 TYR CA C 41 56.574 57.117 -0.543 1 1 446 . 1 1 1 A 41 41 TYR CB C 41 42.213 40.408 1.805 1 1 449 . 1 1 1 A 41 41 TYR N N 41 111.324 119.134 -7.810 1 1 450 . 1 1 1 A 42 42 GLU H H 42 9.184 9.114 0.070 1 1 451 . 1 1 1 A 42 42 GLU HA H 42 5.066 4.924 0.142 1 1 456 . 1 1 1 A 42 42 GLU C C 42 174.368 175.270 -0.902 1 1 457 . 1 1 1 A 42 42 GLU CA C 42 55.126 55.912 -0.786 1 1 458 . 1 1 1 A 42 42 GLU CB C 42 33.471 31.285 2.186 1 1 460 . 1 1 1 A 42 42 GLU N N 42 120.875 125.202 -4.327 1 1 461 . 1 1 1 A 43 43 ILE H H 43 9.355 8.903 0.452 1 1 462 . 1 1 1 A 43 43 ILE HA H 43 4.853 5.461 -0.608 1 1 472 . 1 1 1 A 43 43 ILE C C 43 174.430 174.613 -0.183 1 1 473 . 1 1 1 A 43 43 ILE CA C 43 60.323 59.356 0.967 1 1 474 . 1 1 1 A 43 43 ILE CB C 43 40.297 41.668 -1.371 1 1 478 . 1 1 1 A 43 43 ILE N N 43 126.045 126.261 -0.216 1 1 479 . 1 1 1 A 44 44 ARG H H 44 9.097 8.792 0.305 1 1 480 . 1 1 1 A 44 44 ARG HA H 44 5.545 5.478 0.067 1 1 487 . 1 1 1 A 44 44 ARG C C 44 175.523 173.851 1.672 1 1 488 . 1 1 1 A 44 44 ARG CA C 44 54.386 54.229 0.157 1 1 489 . 1 1 1 A 44 44 ARG CB C 44 34.638 33.306 1.332 1 1 492 . 1 1 1 A 44 44 ARG N N 44 127.831 126.083 1.748 1 1 493 . 1 1 1 A 45 45 TYR H H 45 8.893 8.375 0.518 1 1 494 . 1 1 1 A 45 45 TYR HA H 45 6.272 5.997 0.275 1 1 501 . 1 1 1 A 45 45 TYR C C 45 173.560 173.212 0.348 1 1 502 . 1 1 1 A 45 45 TYR CA C 45 54.767 55.340 -0.573 1 1 503 . 1 1 1 A 45 45 TYR CB C 45 43.168 42.424 0.744 1 1 508 . 1 1 1 A 45 45 TYR N N 45 123.683 122.533 1.150 1 1 509 . 1 1 1 A 46 46 TYR H H 46 8.479 8.735 -0.256 1 1 510 . 1 1 1 A 46 46 TYR HA H 46 5.048 5.153 -0.105 1 1 517 . 1 1 1 A 46 46 TYR C C 46 173.870 173.976 -0.106 1 1 518 . 1 1 1 A 46 46 TYR CA C 46 55.485 55.743 -0.258 1 1 519 . 1 1 1 A 46 46 TYR CB C 46 39.975 40.623 -0.648 1 1 524 . 1 1 1 A 46 46 TYR N N 46 114.778 117.507 -2.729 1 1 525 . 1 1 1 A 47 47 GLU H H 47 9.111 8.666 0.445 1 1 526 . 1 1 1 A 47 47 GLU HA H 47 3.819 4.131 -0.312 1 1 531 . 1 1 1 A 47 47 GLU C C 47 177.764 177.934 -0.170 1 1 532 . 1 1 1 A 47 47 GLU CA C 47 57.123 57.107 0.016 1 1 533 . 1 1 1 A 47 47 GLU CB C 47 29.773 29.881 -0.108 1 1 535 . 1 1 1 A 47 47 GLU N N 47 122.069 120.895 1.174 1 1 536 . 1 1 1 A 48 48 LYS H H 48 8.246 8.509 -0.263 1 1 537 . 1 1 1 A 48 48 LYS HA H 48 3.722 4.013 -0.291 1 1 546 . 1 1 1 A 48 48 LYS C C 48 176.588 178.296 -1.708 1 1 547 . 1 1 1 A 48 48 LYS CA C 48 59.774 59.633 0.141 1 1 548 . 1 1 1 A 48 48 LYS CB C 48 33.032 32.253 0.779 1 1 552 . 1 1 1 A 48 48 LYS N N 48 122.857 126.153 -3.296 1 1 553 . 1 1 1 A 49 49 GLU H H 49 8.192 7.864 0.328 1 1 554 . 1 1 1 A 49 49 GLU HA H 49 4.216 4.264 -0.048 1 1 559 . 1 1 1 A 49 49 GLU C C 49 176.987 177.622 -0.635 1 1 560 . 1 1 1 A 49 49 GLU CA C 49 57.447 58.901 -1.454 1 1 561 . 1 1 1 A 49 49 GLU CB C 49 28.987 29.971 -0.984 1 1 563 . 1 1 1 A 49 49 GLU N N 49 114.305 117.001 -2.696 1 1 564 . 1 1 1 A 50 50 HIS H H 50 8.329 8.163 0.166 1 1 565 . 1 1 1 A 50 50 HIS HA H 50 4.928 4.658 0.270 1 1 570 . 1 1 1 A 50 50 HIS C C 50 173.255 175.040 -1.785 1 1 571 . 1 1 1 A 50 50 HIS CA C 50 54.372 56.556 -2.184 1 1 572 . 1 1 1 A 50 50 HIS CB C 50 31.082 30.613 0.469 1 1 575 . 1 1 1 A 50 50 HIS N N 50 120.021 118.319 1.702 1 1 576 . 1 1 1 A 51 51 ASN H H 51 7.687 8.753 -1.066 1 1 577 . 1 1 1 A 51 51 ASN HA H 51 4.259 4.657 -0.398 1 1 582 . 1 1 1 A 51 51 ASN C C 51 174.779 175.649 -0.870 1 1 583 . 1 1 1 A 51 51 ASN CA C 51 52.561 51.412 1.149 1 1 584 . 1 1 1 A 51 51 ASN CB C 51 39.474 40.658 -1.184 1 1 585 . 1 1 1 A 51 51 ASN N N 51 114.158 118.497 -4.339 1 1 587 . 1 1 1 A 52 52 GLU H H 52 8.551 8.648 -0.097 1 1 588 . 1 1 1 A 52 52 GLU HA H 52 2.797 3.737 -0.940 1 1 593 . 1 1 1 A 52 52 GLU C C 52 177.117 178.805 -1.688 1 1 594 . 1 1 1 A 52 52 GLU CA C 52 58.155 59.331 -1.176 1 1 595 . 1 1 1 A 52 52 GLU CB C 52 28.912 29.364 -0.452 1 1 597 . 1 1 1 A 52 52 GLU N N 52 117.019 121.141 -4.122 1 1 598 . 1 1 1 A 53 53 PHE H H 53 7.855 8.047 -0.192 1 1 599 . 1 1 1 A 53 53 PHE HA H 53 4.371 4.289 0.082 1 1 607 . 1 1 1 A 53 53 PHE C C 53 175.783 176.799 -1.016 1 1 608 . 1 1 1 A 53 53 PHE CA C 53 58.785 60.881 -2.096 1 1 609 . 1 1 1 A 53 53 PHE CB C 53 37.747 38.985 -1.238 1 1 615 . 1 1 1 A 53 53 PHE N N 53 119.462 118.980 0.482 1 1 616 . 1 1 1 A 54 54 ASN H H 54 7.744 8.044 -0.300 1 1 617 . 1 1 1 A 54 54 ASN HA H 54 4.948 4.918 0.030 1 1 622 . 1 1 1 A 54 54 ASN C C 54 173.922 173.876 0.046 1 1 623 . 1 1 1 A 54 54 ASN CA C 54 52.102 52.397 -0.295 1 1 624 . 1 1 1 A 54 54 ASN CB C 54 38.637 37.032 1.605 1 1 625 . 1 1 1 A 54 54 ASN N N 54 120.451 115.821 4.630 1 1 627 . 1 1 1 A 55 55 SER H H 55 7.469 8.438 -0.969 1 1 628 . 1 1 1 A 55 55 SER HA H 55 4.710 5.185 -0.475 1 1 631 . 1 1 1 A 55 55 SER C C 55 173.922 172.612 1.310 1 1 632 . 1 1 1 A 55 55 SER CA C 55 57.883 56.417 1.466 1 1 633 . 1 1 1 A 55 55 SER CB C 55 66.064 66.242 -0.178 1 1 634 . 1 1 1 A 55 55 SER N N 55 113.429 114.674 -1.245 1 1 635 . 1 1 1 A 56 56 SER H H 56 8.458 8.324 0.134 1 1 636 . 1 1 1 A 56 56 SER HA H 56 4.632 4.958 -0.326 1 1 639 . 1 1 1 A 56 56 SER C C 56 171.119 173.494 -2.375 1 1 640 . 1 1 1 A 56 56 SER CA C 56 57.866 57.447 0.419 1 1 641 . 1 1 1 A 56 56 SER CB C 56 65.164 64.587 0.577 1 1 642 . 1 1 1 A 56 56 SER N N 56 116.653 117.790 -1.137 1 1 643 . 1 1 1 A 57 57 MET H H 57 8.355 8.819 -0.464 1 1 644 . 1 1 1 A 57 57 MET HA H 57 5.776 5.663 0.113 1 1 652 . 1 1 1 A 57 57 MET C C 57 175.771 175.275 0.496 1 1 653 . 1 1 1 A 57 57 MET CA C 57 53.913 53.614 0.299 1 1 654 . 1 1 1 A 57 57 MET CB C 57 36.115 35.139 0.976 1 1 657 . 1 1 1 A 57 57 MET N N 57 119.463 123.680 -4.217 1 1 658 . 1 1 1 A 58 58 ALA H H 58 9.547 9.240 0.307 1 1 659 . 1 1 1 A 58 58 ALA HA H 58 4.890 5.069 -0.179 1 1 663 . 1 1 1 A 58 58 ALA C C 58 175.328 176.108 -0.780 1 1 664 . 1 1 1 A 58 58 ALA CA C 58 50.829 51.676 -0.847 1 1 665 . 1 1 1 A 58 58 ALA CB C 58 22.649 22.622 0.027 1 1 666 . 1 1 1 A 58 58 ALA N N 58 127.410 124.007 3.403 1 1 667 . 1 1 1 A 59 59 ARG H H 59 8.776 8.843 -0.067 1 1 668 . 1 1 1 A 59 59 ARG HA H 59 5.567 5.624 -0.057 1 1 675 . 1 1 1 A 59 59 ARG C C 59 176.336 174.896 1.440 1 1 676 . 1 1 1 A 59 59 ARG CA C 59 54.843 54.383 0.460 1 1 677 . 1 1 1 A 59 59 ARG CB C 59 33.691 32.671 1.020 1 1 680 . 1 1 1 A 59 59 ARG N N 59 119.945 122.128 -2.183 1 1 681 . 1 1 1 A 60 60 SER H H 60 8.919 8.955 -0.036 1 1 682 . 1 1 1 A 60 60 SER HA H 60 5.011 5.128 -0.117 1 1 685 . 1 1 1 A 60 60 SER C C 60 174.614 173.221 1.393 1 1 686 . 1 1 1 A 60 60 SER CA C 60 56.752 56.707 0.045 1 1 687 . 1 1 1 A 60 60 SER CB C 60 66.198 65.543 0.655 1 1 688 . 1 1 1 A 60 60 SER N N 60 115.274 114.466 0.808 1 1 689 . 1 1 1 A 61 61 GLN H H 61 9.367 8.752 0.615 1 1 690 . 1 1 1 A 61 61 GLN HA H 61 4.556 4.611 -0.055 1 1 697 . 1 1 1 A 61 61 GLN C C 61 175.391 175.045 0.346 1 1 698 . 1 1 1 A 61 61 GLN CA C 61 57.664 56.247 1.417 1 1 699 . 1 1 1 A 61 61 GLN CB C 61 29.763 29.261 0.502 1 1 701 . 1 1 1 A 61 61 GLN N N 61 124.808 121.914 2.894 1 1 703 . 1 1 1 A 62 62 THR H H 62 8.075 7.282 0.793 1 1 704 . 1 1 1 A 62 62 THR HA H 62 4.918 4.601 0.317 1 1 709 . 1 1 1 A 62 62 THR C C 62 173.106 172.886 0.220 1 1 710 . 1 1 1 A 62 62 THR CA C 62 59.369 60.492 -1.123 1 1 711 . 1 1 1 A 62 62 THR CB C 62 70.607 69.497 1.110 1 1 713 . 1 1 1 A 62 62 THR N N 62 110.260 113.934 -3.674 1 1 714 . 1 1 1 A 63 63 ASN H H 63 8.575 8.362 0.213 1 1 715 . 1 1 1 A 63 63 ASN HA H 63 3.457 3.839 -0.382 1 1 720 . 1 1 1 A 63 63 ASN C C 63 172.343 173.475 -1.132 1 1 721 . 1 1 1 A 63 63 ASN CA C 63 53.270 52.699 0.571 1 1 722 . 1 1 1 A 63 63 ASN CB C 63 34.441 38.169 -3.728 1 1 723 . 1 1 1 A 63 63 ASN N N 63 119.090 120.916 -1.826 1 1 725 . 1 1 1 A 64 64 THR H H 64 6.850 7.230 -0.380 1 1 726 . 1 1 1 A 64 64 THR HA H 64 4.296 4.302 -0.006 1 1 731 . 1 1 1 A 64 64 THR C C 64 172.238 172.322 -0.084 1 1 732 . 1 1 1 A 64 64 THR CA C 64 60.501 60.495 0.006 1 1 733 . 1 1 1 A 64 64 THR CB C 64 71.252 71.042 0.210 1 1 735 . 1 1 1 A 64 64 THR N N 64 111.612 114.116 -2.504 1 1 736 . 1 1 1 A 65 65 ALA H H 65 8.619 8.879 -0.260 1 1 737 . 1 1 1 A 65 65 ALA HA H 65 4.595 5.066 -0.471 1 1 741 . 1 1 1 A 65 65 ALA C C 65 174.046 175.190 -1.144 1 1 742 . 1 1 1 A 65 65 ALA CA C 65 52.102 51.175 0.927 1 1 743 . 1 1 1 A 65 65 ALA CB C 65 22.427 23.994 -1.567 1 1 744 . 1 1 1 A 65 65 ALA N N 65 124.370 130.104 -5.734 1 1 745 . 1 1 1 A 66 66 ARG H H 66 8.533 8.794 -0.261 1 1 746 . 1 1 1 A 66 66 ARG HA H 66 4.973 5.267 -0.294 1 1 753 . 1 1 1 A 66 66 ARG C C 66 175.240 174.510 0.730 1 1 754 . 1 1 1 A 66 66 ARG CA C 66 54.560 54.245 0.315 1 1 755 . 1 1 1 A 66 66 ARG CB C 66 32.088 33.821 -1.733 1 1 758 . 1 1 1 A 66 66 ARG N N 66 122.633 121.422 1.211 1 1 759 . 1 1 1 A 67 67 ILE H H 67 8.967 8.932 0.035 1 1 760 . 1 1 1 A 67 67 ILE HA H 67 4.013 4.454 -0.441 1 1 770 . 1 1 1 A 67 67 ILE C C 67 174.026 174.828 -0.802 1 1 771 . 1 1 1 A 67 67 ILE CA C 67 60.377 59.741 0.636 1 1 772 . 1 1 1 A 67 67 ILE CB C 67 38.044 38.327 -0.283 1 1 776 . 1 1 1 A 67 67 ILE N N 67 128.560 127.177 1.383 1 1 777 . 1 1 1 A 68 68 ASP H H 68 8.117 8.533 -0.416 1 1 778 . 1 1 1 A 68 68 ASP HA H 68 5.060 5.289 -0.229 1 1 781 . 1 1 1 A 68 68 ASP C C 68 175.792 176.397 -0.605 1 1 782 . 1 1 1 A 68 68 ASP CA C 68 52.474 52.476 -0.002 1 1 783 . 1 1 1 A 68 68 ASP CB C 68 44.116 43.728 0.388 1 1 784 . 1 1 1 A 68 68 ASP N N 68 125.243 126.326 -1.083 1 1 785 . 1 1 1 A 69 69 GLY H H 69 8.568 8.569 -0.001 1 1 786 . 1 1 1 A 69 69 GLY HA2 H 69 3.951 3.916 0.035 1 1 787 . 1 1 1 A 69 69 GLY HA3 H 69 3.830 3.923 -0.093 1 1 788 . 1 1 1 A 69 69 GLY C C 69 175.359 173.954 1.405 1 1 789 . 1 1 1 A 69 69 GLY CA C 69 46.356 46.181 0.175 1 1 790 . 1 1 1 A 69 69 GLY N N 69 105.736 111.168 -5.432 1 1 791 . 1 1 1 A 70 70 LEU H H 70 7.982 7.388 0.594 1 1 792 . 1 1 1 A 70 70 LEU HA H 70 4.356 4.756 -0.400 1 1 802 . 1 1 1 A 70 70 LEU C C 70 175.151 175.496 -0.345 1 1 803 . 1 1 1 A 70 70 LEU CA C 70 53.110 52.920 0.190 1 1 804 . 1 1 1 A 70 70 LEU CB C 70 40.992 45.431 -4.439 1 1 808 . 1 1 1 A 70 70 LEU N N 70 118.817 119.784 -0.967 1 1 809 . 1 1 1 A 71 71 ARG H H 71 8.148 8.912 -0.764 1 1 810 . 1 1 1 A 71 71 ARG HA H 71 4.922 4.818 0.104 1 1 817 . 1 1 1 A 71 71 ARG C C 71 174.419 174.080 0.339 1 1 818 . 1 1 1 A 71 71 ARG CA C 71 53.534 53.581 -0.047 1 1 819 . 1 1 1 A 71 71 ARG CB C 71 32.001 30.191 1.810 1 1 822 . 1 1 1 A 71 71 ARG N N 71 118.182 121.389 -3.207 1 1 823 . 1 1 1 A 72 72 PRO HA H 72 5.168 4.554 0.614 1 1 830 . 1 1 1 A 72 72 PRO C C 72 178.121 177.694 0.427 1 1 831 . 1 1 1 A 72 72 PRO CA C 72 63.416 63.687 -0.271 1 1 832 . 1 1 1 A 72 72 PRO CB C 72 32.908 31.315 1.593 1 1 835 . 1 1 1 A 73 73 GLY H H 73 7.705 9.002 -1.297 1 1 836 . 1 1 1 A 73 73 GLY HA2 H 73 3.856 3.951 -0.095 1 1 837 . 1 1 1 A 73 73 GLY HA3 H 73 3.508 3.959 -0.451 1 1 838 . 1 1 1 A 73 73 GLY C C 73 173.685 173.752 -0.067 1 1 839 . 1 1 1 A 73 73 GLY CA C 73 46.731 46.639 0.092 1 1 840 . 1 1 1 A 73 73 GLY N N 73 112.669 112.244 0.425 1 1 841 . 1 1 1 A 74 74 MET H H 74 7.511 7.451 0.060 1 1 842 . 1 1 1 A 74 74 MET HA H 74 4.742 4.943 -0.201 1 1 850 . 1 1 1 A 74 74 MET C C 74 173.525 174.453 -0.928 1 1 851 . 1 1 1 A 74 74 MET CA C 74 53.216 54.633 -1.417 1 1 852 . 1 1 1 A 74 74 MET CB C 74 33.610 36.037 -2.427 1 1 855 . 1 1 1 A 74 74 MET N N 74 119.820 118.719 1.101 1 1 856 . 1 1 1 A 75 75 VAL H H 75 7.651 8.483 -0.832 1 1 857 . 1 1 1 A 75 75 VAL HA H 75 4.361 4.528 -0.167 1 1 865 . 1 1 1 A 75 75 VAL C C 75 174.677 174.553 0.124 1 1 866 . 1 1 1 A 75 75 VAL CA C 75 61.581 61.883 -0.302 1 1 867 . 1 1 1 A 75 75 VAL CB C 75 32.345 32.039 0.306 1 1 870 . 1 1 1 A 75 75 VAL N N 75 121.287 125.834 -4.547 1 1 871 . 1 1 1 A 76 76 TYR H H 76 9.405 8.924 0.481 1 1 872 . 1 1 1 A 76 76 TYR HA H 76 4.743 5.051 -0.308 1 1 879 . 1 1 1 A 76 76 TYR C C 76 174.740 175.045 -0.305 1 1 880 . 1 1 1 A 76 76 TYR CA C 76 57.424 56.649 0.775 1 1 881 . 1 1 1 A 76 76 TYR CB C 76 41.151 41.582 -0.431 1 1 886 . 1 1 1 A 76 76 TYR N N 76 126.231 125.328 0.903 1 1 887 . 1 1 1 A 77 77 VAL H H 77 8.867 8.392 0.475 1 1 888 . 1 1 1 A 77 77 VAL HA H 77 4.318 4.263 0.055 1 1 896 . 1 1 1 A 77 77 VAL C C 77 175.773 175.258 0.515 1 1 897 . 1 1 1 A 77 77 VAL CA C 77 61.473 62.599 -1.126 1 1 898 . 1 1 1 A 77 77 VAL CB C 77 31.218 30.726 0.492 1 1 901 . 1 1 1 A 77 77 VAL N N 77 123.699 124.647 -0.948 1 1 902 . 1 1 1 A 78 78 VAL H H 78 8.683 8.890 -0.207 1 1 903 . 1 1 1 A 78 78 VAL HA H 78 4.995 4.906 0.089 1 1 911 . 1 1 1 A 78 78 VAL C C 78 175.275 175.069 0.206 1 1 912 . 1 1 1 A 78 78 VAL CA C 78 60.942 61.028 -0.086 1 1 913 . 1 1 1 A 78 78 VAL CB C 78 34.790 33.391 1.399 1 1 916 . 1 1 1 A 78 78 VAL N N 78 124.155 128.704 -4.549 1 1 917 . 1 1 1 A 79 79 GLN H H 79 8.613 8.321 0.292 1 1 918 . 1 1 1 A 79 79 GLN HA H 79 4.511 4.903 -0.392 1 1 925 . 1 1 1 A 79 79 GLN C C 79 173.361 174.072 -0.711 1 1 926 . 1 1 1 A 79 79 GLN CA C 79 54.666 54.275 0.391 1 1 927 . 1 1 1 A 79 79 GLN CB C 79 36.751 33.124 3.627 1 1 929 . 1 1 1 A 79 79 GLN N N 79 121.693 123.577 -1.884 1 1 931 . 1 1 1 A 80 80 VAL H H 80 9.019 8.485 0.534 1 1 932 . 1 1 1 A 80 80 VAL HA H 80 5.801 4.997 0.804 1 1 940 . 1 1 1 A 80 80 VAL C C 80 174.526 174.677 -0.151 1 1 941 . 1 1 1 A 80 80 VAL CA C 80 58.750 59.298 -0.548 1 1 942 . 1 1 1 A 80 80 VAL CB C 80 35.479 33.949 1.530 1 1 945 . 1 1 1 A 80 80 VAL N N 80 118.559 122.242 -3.683 1 1 946 . 1 1 1 A 81 81 ARG H H 81 9.199 9.133 0.066 1 1 947 . 1 1 1 A 81 81 ARG HA H 81 4.951 4.955 -0.004 1 1 955 . 1 1 1 A 81 81 ARG C C 81 172.660 174.280 -1.620 1 1 956 . 1 1 1 A 81 81 ARG CA C 81 54.295 53.535 0.760 1 1 957 . 1 1 1 A 81 81 ARG CB C 81 33.750 33.754 -0.004 1 1 960 . 1 1 1 A 81 81 ARG N N 81 125.225 126.789 -1.564 1 1 962 . 1 1 1 A 82 82 ALA H H 82 8.762 8.723 0.039 1 1 963 . 1 1 1 A 82 82 ALA HA H 82 4.820 5.144 -0.324 1 1 967 . 1 1 1 A 82 82 ALA C C 82 174.783 175.257 -0.474 1 1 968 . 1 1 1 A 82 82 ALA CA C 82 50.741 50.139 0.602 1 1 969 . 1 1 1 A 82 82 ALA CB C 82 22.383 21.168 1.215 1 1 970 . 1 1 1 A 82 82 ALA N N 82 124.292 122.775 1.517 1 1 971 . 1 1 1 A 83 83 ARG H H 83 8.336 8.394 -0.058 1 1 972 . 1 1 1 A 83 83 ARG HA H 83 4.737 4.863 -0.126 1 1 980 . 1 1 1 A 83 83 ARG C C 83 175.290 174.906 0.384 1 1 981 . 1 1 1 A 83 83 ARG CA C 83 55.727 54.258 1.469 1 1 982 . 1 1 1 A 83 83 ARG CB C 83 34.562 32.612 1.950 1 1 985 . 1 1 1 A 83 83 ARG N N 83 121.023 123.634 -2.611 1 1 987 . 1 1 1 A 84 84 THR H H 84 8.485 8.641 -0.156 1 1 988 . 1 1 1 A 84 84 THR HA H 84 4.875 4.915 -0.040 1 1 993 . 1 1 1 A 84 84 THR C C 84 176.218 175.239 0.979 1 1 994 . 1 1 1 A 84 84 THR CA C 84 59.475 58.961 0.514 1 1 995 . 1 1 1 A 84 84 THR CB C 84 72.440 72.414 0.026 1 1 997 . 1 1 1 A 84 84 THR N N 84 116.374 116.906 -0.532 1 1 998 . 1 1 1 A 85 85 VAL H H 85 9.283 8.944 0.339 1 1 999 . 1 1 1 A 85 85 VAL HA H 85 3.794 3.783 0.011 1 1 1007 . 1 1 1 A 85 85 VAL C C 85 175.930 177.651 -1.721 1 1 1008 . 1 1 1 A 85 85 VAL CA C 85 64.934 65.080 -0.146 1 1 1009 . 1 1 1 A 85 85 VAL CB C 85 31.621 31.398 0.223 1 1 1012 . 1 1 1 A 85 85 VAL N N 85 119.099 119.587 -0.488 1 1 1013 . 1 1 1 A 86 86 ALA H H 86 7.840 7.784 0.056 1 1 1014 . 1 1 1 A 86 86 ALA HA H 86 4.242 4.117 0.125 1 1 1018 . 1 1 1 A 86 86 ALA C C 86 177.467 177.532 -0.065 1 1 1019 . 1 1 1 A 86 86 ALA CA C 86 52.774 54.677 -1.903 1 1 1020 . 1 1 1 A 86 86 ALA CB C 86 19.733 19.991 -0.258 1 1 1021 . 1 1 1 A 86 86 ALA N N 86 121.263 123.506 -2.243 1 1 1022 . 1 1 1 A 87 87 GLY H H 87 7.365 6.978 0.387 1 1 1023 . 1 1 1 A 87 87 GLY HA2 H 87 4.402 4.050 0.352 1 1 1024 . 1 1 1 A 87 87 GLY HA3 H 87 3.588 4.076 -0.488 1 1 1025 . 1 1 1 A 87 87 GLY C C 87 171.960 171.187 0.773 1 1 1026 . 1 1 1 A 87 87 GLY CA C 87 44.170 46.039 -1.869 1 1 1027 . 1 1 1 A 87 87 GLY N N 87 105.736 102.055 3.681 1 1 1028 . 1 1 1 A 88 88 TYR H H 88 8.444 8.613 -0.169 1 1 1029 . 1 1 1 A 88 88 TYR HA H 88 5.063 4.785 0.278 1 1 1036 . 1 1 1 A 88 88 TYR C C 88 179.239 175.410 3.829 1 1 1037 . 1 1 1 A 88 88 TYR CA C 88 58.308 57.190 1.118 1 1 1038 . 1 1 1 A 88 88 TYR CB C 88 41.442 39.882 1.560 1 1 1043 . 1 1 1 A 88 88 TYR N N 88 116.996 119.948 -2.952 1 1 1044 . 1 1 1 A 89 89 GLY H H 89 8.676 8.302 0.374 1 1 1045 . 1 1 1 A 89 89 GLY HA2 H 89 4.324 4.219 0.105 1 1 1046 . 1 1 1 A 89 89 GLY HA3 H 89 3.973 4.244 -0.271 1 1 1047 . 1 1 1 A 89 89 GLY C C 89 173.844 172.843 1.001 1 1 1048 . 1 1 1 A 89 89 GLY CA C 89 43.916 44.123 -0.207 1 1 1049 . 1 1 1 A 89 89 GLY N N 89 107.850 110.289 -2.439 1 1 1050 . 1 1 1 A 90 90 LYS H H 90 8.711 8.271 0.440 1 1 1051 . 1 1 1 A 90 90 LYS HA H 90 4.166 4.156 0.010 1 1 1060 . 1 1 1 A 90 90 LYS C C 90 177.819 176.846 0.973 1 1 1061 . 1 1 1 A 90 90 LYS CA C 90 56.162 56.193 -0.031 1 1 1062 . 1 1 1 A 90 90 LYS CB C 90 32.730 33.049 -0.319 1 1 1066 . 1 1 1 A 90 90 LYS N N 90 119.382 119.766 -0.384 1 1 1067 . 1 1 1 A 91 91 PHE H H 91 8.698 8.775 -0.077 1 1 1068 . 1 1 1 A 91 91 PHE HA H 91 4.241 4.771 -0.530 1 1 1076 . 1 1 1 A 91 91 PHE C C 91 176.805 175.963 0.842 1 1 1077 . 1 1 1 A 91 91 PHE CA C 91 61.027 58.004 3.023 1 1 1078 . 1 1 1 A 91 91 PHE CB C 91 39.995 40.022 -0.027 1 1 1084 . 1 1 1 A 91 91 PHE N N 91 120.691 120.808 -0.117 1 1 1085 . 1 1 1 A 92 92 SER H H 92 8.311 8.883 -0.572 1 1 1086 . 1 1 1 A 92 92 SER HA H 92 4.259 4.808 -0.549 1 1 1089 . 1 1 1 A 92 92 SER C C 92 173.499 174.936 -1.437 1 1 1090 . 1 1 1 A 92 92 SER CA C 92 58.146 57.855 0.291 1 1 1091 . 1 1 1 A 92 92 SER CB C 92 65.329 65.362 -0.033 1 1 1092 . 1 1 1 A 92 92 SER N N 92 115.098 116.679 -1.581 1 1 1093 . 1 1 1 A 93 93 GLY H H 93 8.869 8.522 0.347 1 1 1094 . 1 1 1 A 93 93 GLY HA2 H 93 4.071 3.993 0.078 1 1 1095 . 1 1 1 A 93 93 GLY HA3 H 93 3.780 4.002 -0.222 1 1 1096 . 1 1 1 A 93 93 GLY C C 93 174.375 173.498 0.877 1 1 1097 . 1 1 1 A 93 93 GLY CA C 93 45.331 45.676 -0.345 1 1 1098 . 1 1 1 A 93 93 GLY N N 93 106.252 107.853 -1.601 1 1 1099 . 1 1 1 A 94 94 LYS H H 94 8.619 8.335 0.284 1 1 1100 . 1 1 1 A 94 94 LYS HA H 94 3.633 4.265 -0.632 1 1 1109 . 1 1 1 A 94 94 LYS C C 94 176.004 175.976 0.028 1 1 1110 . 1 1 1 A 94 94 LYS CA C 94 59.068 56.662 2.406 1 1 1111 . 1 1 1 A 94 94 LYS CB C 94 33.072 32.874 0.198 1 1 1115 . 1 1 1 A 94 94 LYS N N 94 122.645 121.908 0.737 1 1 1116 . 1 1 1 A 95 95 MET H H 95 7.547 8.631 -1.084 1 1 1117 . 1 1 1 A 95 95 MET HA H 95 4.520 4.986 -0.466 1 1 1125 . 1 1 1 A 95 95 MET C C 95 173.400 174.218 -0.818 1 1 1126 . 1 1 1 A 95 95 MET CA C 95 54.701 53.906 0.795 1 1 1127 . 1 1 1 A 95 95 MET CB C 95 37.784 35.447 2.337 1 1 1130 . 1 1 1 A 95 95 MET N N 95 122.392 122.690 -0.298 1 1 1131 . 1 1 1 A 96 96 CYS H H 96 7.888 8.555 -0.667 1 1 1132 . 1 1 1 A 96 96 CYS HA H 96 5.465 4.995 0.470 1 1 1135 . 1 1 1 A 96 96 CYS C C 96 173.757 173.010 0.747 1 1 1136 . 1 1 1 A 96 96 CYS CA C 96 57.353 56.961 0.392 1 1 1137 . 1 1 1 A 96 96 CYS CB C 96 29.941 29.345 0.596 1 1 1138 . 1 1 1 A 96 96 CYS N N 96 117.124 120.656 -3.532 1 1 1139 . 1 1 1 A 97 97 PHE H H 97 9.133 8.958 0.175 1 1 1140 . 1 1 1 A 97 97 PHE HA H 97 4.879 5.180 -0.301 1 1 1148 . 1 1 1 A 97 97 PHE C C 97 173.309 175.456 -2.147 1 1 1149 . 1 1 1 A 97 97 PHE CA C 97 56.983 56.491 0.492 1 1 1150 . 1 1 1 A 97 97 PHE CB C 97 44.074 41.218 2.856 1 1 1156 . 1 1 1 A 97 97 PHE N N 97 121.239 123.611 -2.372 1 1 1157 . 1 1 1 A 98 98 GLN H H 98 8.884 8.821 0.063 1 1 1158 . 1 1 1 A 98 98 GLN HA H 98 5.809 5.361 0.448 1 1 1165 . 1 1 1 A 98 98 GLN C C 98 176.454 175.937 0.517 1 1 1166 . 1 1 1 A 98 98 GLN CA C 98 54.125 54.680 -0.555 1 1 1167 . 1 1 1 A 98 98 GLN CB C 98 33.444 30.469 2.975 1 1 1169 . 1 1 1 A 98 98 GLN N N 98 120.699 121.700 -1.001 1 1 1171 . 1 1 1 A 99 99 THR H H 99 8.176 8.196 -0.020 1 1 1172 . 1 1 1 A 99 99 THR HA H 99 4.324 4.653 -0.329 1 1 1177 . 1 1 1 A 99 99 THR C C 99 175.929 174.651 1.278 1 1 1178 . 1 1 1 A 99 99 THR CA C 99 60.341 60.717 -0.376 1 1 1179 . 1 1 1 A 99 99 THR CB C 99 70.070 71.737 -1.667 1 1 1181 . 1 1 1 A 99 99 THR N N 99 112.214 112.640 -0.426 1 1 1182 . 1 1 1 A 100 100 LEU H H 100 7.368 8.221 -0.853 1 1 1183 . 1 1 1 A 100 100 LEU HA H 100 4.310 4.307 0.003 1 1 1193 . 1 1 1 A 100 100 LEU C C 100 177.359 176.815 0.544 1 1 1194 . 1 1 1 A 100 100 LEU CA C 100 54.790 55.221 -0.431 1 1 1195 . 1 1 1 A 100 100 LEU CB C 100 42.096 42.501 -0.405 1 1 1199 . 1 1 1 A 100 100 LEU N N 100 117.018 122.695 -5.677 1 1 1200 . 1 1 1 A 101 101 THR H H 101 7.997 8.524 -0.527 1 1 1201 . 1 1 1 A 101 101 THR HA H 101 4.123 5.290 -1.167 1 1 1206 . 1 1 1 A 101 101 THR C C 101 174.014 172.595 1.419 1 1 1207 . 1 1 1 A 101 101 THR CA C 101 61.968 60.472 1.496 1 1 1208 . 1 1 1 A 101 101 THR CB C 101 70.172 70.452 -0.280 1 1 1210 . 1 1 1 A 101 101 THR N N 101 110.428 114.473 -4.045 1 1 1211 . 1 1 1 A 102 102 ASP H H 102 8.320 8.803 -0.483 1 1 1212 . 1 1 1 A 102 102 ASP HA H 102 4.853 4.859 -0.006 1 1 1215 . 1 1 1 A 102 102 ASP C C 102 176.204 177.043 -0.839 1 1 1216 . 1 1 1 A 102 102 ASP CA C 102 53.694 52.745 0.949 1 1 1217 . 1 1 1 A 102 102 ASP CB C 102 41.808 40.315 1.493 1 1 1218 . 1 1 1 A 102 102 ASP N N 102 120.693 126.768 -6.075 1 1 1219 . 1 1 1 A 103 103 SER H H 103 8.294 7.905 0.389 1 1 1220 . 1 1 1 A 103 103 SER HA H 103 4.486 4.589 -0.103 1 1 1223 . 1 1 1 A 103 103 SER C C 103 174.875 174.892 -0.017 1 1 1224 . 1 1 1 A 103 103 SER CA C 103 58.361 59.459 -1.098 1 1 1225 . 1 1 1 A 103 103 SER CB C 103 63.942 65.120 -1.178 1 1 1226 . 1 1 1 A 103 103 SER N N 103 117.442 116.482 0.960 1 1 1227 . 1 1 1 A 104 104 GLY H H 104 8.393 7.998 0.395 1 1 1228 . 1 1 1 A 104 104 GLY HA2 H 104 4.104 4.015 0.089 1 1 1229 . 1 1 1 A 104 104 GLY HA3 H 104 4.104 4.016 0.088 1 1 1230 . 1 1 1 A 104 104 GLY C C 104 172.016 174.696 -2.680 1 1 1231 . 1 1 1 A 104 104 GLY CA C 104 44.800 45.920 -1.120 1 1 1232 . 1 1 1 A 104 104 GLY N N 104 111.065 107.484 3.581 1 1 1233 . 1 1 1 A 105 105 PRO HA H 105 4.475 4.633 -0.158 1 1 1240 . 1 1 1 A 105 105 PRO C C 105 177.464 177.870 -0.406 1 1 1241 . 1 1 1 A 105 105 PRO CA C 105 63.329 62.780 0.549 1 1 1242 . 1 1 1 A 105 105 PRO CB C 105 32.249 31.662 0.587 1 1 1245 . 1 1 1 A 106 106 SER H H 106 8.514 8.790 -0.276 1 1 1246 . 1 1 1 A 106 106 SER HA H 106 4.512 4.250 0.262 1 1 1249 . 1 1 1 A 106 106 SER C C 106 174.735 174.674 0.061 1 1 1250 . 1 1 1 A 106 106 SER CA C 106 58.361 61.339 -2.978 1 1 1251 . 1 1 1 A 106 106 SER CB C 106 63.820 63.455 0.365 1 1 1252 . 1 1 1 A 106 106 SER N N 106 116.429 118.801 -2.372 1 1 1253 . 1 1 1 A 107 107 SER H H 107 8.329 7.683 0.646 1 1 1254 . 1 1 1 A 107 107 SER HA H 107 4.512 5.033 -0.521 1 1 1257 . 1 1 1 A 107 107 SER C C 107 174.004 173.244 0.760 1 1 1258 . 1 1 1 A 107 107 SER CA C 107 58.414 57.641 0.773 1 1 1259 . 1 1 1 A 107 107 SER CB C 107 64.014 67.210 -3.196 1 1 1260 . 1 1 1 A 107 107 SER N N 107 117.919 113.613 4.306 1 1 1 . 2 1 1 A 6 6 SER HA H 6 4.523 4.811 -0.288 1 1 3 . 2 1 1 A 6 6 SER CA C 6 58.535 58.529 0.006 1 1 4 . 2 1 1 A 6 6 SER CB C 6 64.106 62.552 1.554 1 1 5 . 2 1 1 A 7 7 GLY H H 7 8.202 8.540 -0.338 1 1 6 . 2 1 1 A 7 7 GLY HA2 H 7 3.881 4.167 -0.286 1 1 7 . 2 1 1 A 7 7 GLY HA3 H 7 3.740 4.172 -0.432 1 1 8 . 2 1 1 A 7 7 GLY CA C 7 44.322 45.208 -0.886 1 1 9 . 2 1 1 A 7 7 GLY N N 7 109.573 112.423 -2.850 1 1 10 . 2 1 1 A 8 8 PRO HA H 8 4.641 4.560 0.081 1 1 17 . 2 1 1 A 8 8 PRO C C 8 176.480 176.554 -0.074 1 1 18 . 2 1 1 A 8 8 PRO CA C 8 62.582 62.434 0.148 1 1 19 . 2 1 1 A 8 8 PRO CB C 8 32.331 32.313 0.018 1 1 22 . 2 1 1 A 9 9 SER H H 9 8.061 8.294 -0.233 1 1 23 . 2 1 1 A 9 9 SER HA H 9 4.374 4.532 -0.158 1 1 26 . 2 1 1 A 9 9 SER C C 9 173.090 173.487 -0.397 1 1 27 . 2 1 1 A 9 9 SER CA C 9 58.754 58.317 0.437 1 1 28 . 2 1 1 A 9 9 SER CB C 9 63.667 64.073 -0.406 1 1 29 . 2 1 1 A 9 9 SER N N 9 115.137 117.337 -2.200 1 1 30 . 2 1 1 A 10 10 THR H H 10 8.359 8.493 -0.134 1 1 31 . 2 1 1 A 10 10 THR HA H 10 4.027 5.030 -1.003 1 1 36 . 2 1 1 A 10 10 THR C C 10 175.380 173.078 2.302 1 1 37 . 2 1 1 A 10 10 THR CA C 10 62.781 60.529 2.252 1 1 38 . 2 1 1 A 10 10 THR CB C 10 69.617 72.014 -2.397 1 1 40 . 2 1 1 A 10 10 THR N N 10 115.079 117.130 -2.051 1 1 41 . 2 1 1 A 11 11 VAL H H 11 9.280 8.646 0.634 1 1 42 . 2 1 1 A 11 11 VAL HA H 11 4.097 4.105 -0.008 1 1 50 . 2 1 1 A 11 11 VAL C C 11 175.706 176.427 -0.721 1 1 51 . 2 1 1 A 11 11 VAL CA C 11 61.518 61.335 0.183 1 1 52 . 2 1 1 A 11 11 VAL CB C 11 33.174 32.220 0.954 1 1 55 . 2 1 1 A 11 11 VAL N N 11 131.182 127.048 4.134 1 1 56 . 2 1 1 A 12 12 PRO HA H 12 4.415 4.471 -0.056 1 1 63 . 2 1 1 A 12 12 PRO C C 12 175.612 176.266 -0.654 1 1 64 . 2 1 1 A 12 12 PRO CA C 12 64.850 64.761 0.089 1 1 65 . 2 1 1 A 12 12 PRO CB C 12 32.578 32.249 0.329 1 1 68 . 2 1 1 A 13 13 ILE H H 13 7.251 7.474 -0.223 1 1 69 . 2 1 1 A 13 13 ILE HA H 13 4.439 4.499 -0.060 1 1 79 . 2 1 1 A 13 13 ILE C C 13 170.969 173.574 -2.605 1 1 80 . 2 1 1 A 13 13 ILE CA C 13 59.973 59.138 0.835 1 1 81 . 2 1 1 A 13 13 ILE CB C 13 40.776 40.696 0.080 1 1 85 . 2 1 1 A 13 13 ILE N N 13 115.827 116.310 -0.483 1 1 86 . 2 1 1 A 14 14 MET H H 14 6.827 8.580 -1.753 1 1 87 . 2 1 1 A 14 14 MET HA H 14 4.961 5.391 -0.430 1 1 95 . 2 1 1 A 14 14 MET C C 14 173.380 174.544 -1.164 1 1 96 . 2 1 1 A 14 14 MET CA C 14 55.214 53.666 1.548 1 1 97 . 2 1 1 A 14 14 MET CB C 14 38.223 37.129 1.094 1 1 100 . 2 1 1 A 14 14 MET N N 14 116.754 123.983 -7.229 1 1 101 . 2 1 1 A 15 15 HIS H H 15 9.417 8.642 0.775 1 1 102 . 2 1 1 A 15 15 HIS HA H 15 4.958 5.044 -0.086 1 1 107 . 2 1 1 A 15 15 HIS C C 15 173.901 173.923 -0.022 1 1 108 . 2 1 1 A 15 15 HIS CA C 15 55.190 54.831 0.359 1 1 109 . 2 1 1 A 15 15 HIS CB C 15 33.361 33.841 -0.480 1 1 112 . 2 1 1 A 15 15 HIS N N 15 118.539 115.828 2.711 1 1 113 . 2 1 1 A 16 16 GLN H H 16 9.164 8.838 0.326 1 1 114 . 2 1 1 A 16 16 GLN HA H 16 4.385 4.335 0.050 1 1 121 . 2 1 1 A 16 16 GLN C C 16 175.463 174.708 0.755 1 1 122 . 2 1 1 A 16 16 GLN CA C 16 55.992 55.971 0.021 1 1 123 . 2 1 1 A 16 16 GLN CB C 16 29.159 28.709 0.450 1 1 125 . 2 1 1 A 16 16 GLN N N 16 123.267 124.626 -1.359 1 1 127 . 2 1 1 A 17 17 VAL H H 17 8.983 8.813 0.170 1 1 128 . 2 1 1 A 17 17 VAL HA H 17 3.910 4.058 -0.148 1 1 136 . 2 1 1 A 17 17 VAL C C 17 176.328 176.313 0.015 1 1 137 . 2 1 1 A 17 17 VAL CA C 17 63.807 63.804 0.003 1 1 138 . 2 1 1 A 17 17 VAL CB C 17 33.088 32.668 0.420 1 1 141 . 2 1 1 A 17 17 VAL N N 17 128.880 128.487 0.393 1 1 142 . 2 1 1 A 18 18 SER H H 18 7.740 7.802 -0.062 1 1 143 . 2 1 1 A 18 18 SER HA H 18 4.589 4.836 -0.247 1 1 146 . 2 1 1 A 18 18 SER C C 18 171.965 172.649 -0.684 1 1 147 . 2 1 1 A 18 18 SER CA C 18 57.441 57.297 0.144 1 1 148 . 2 1 1 A 18 18 SER CB C 18 64.058 66.018 -1.960 1 1 149 . 2 1 1 A 18 18 SER N N 18 110.447 111.273 -0.826 1 1 150 . 2 1 1 A 19 19 ALA H H 19 8.114 8.398 -0.284 1 1 151 . 2 1 1 A 19 19 ALA HA H 19 5.086 5.015 0.071 1 1 155 . 2 1 1 A 19 19 ALA C C 19 176.404 176.119 0.285 1 1 156 . 2 1 1 A 19 19 ALA CA C 19 52.453 51.190 1.263 1 1 157 . 2 1 1 A 19 19 ALA CB C 19 23.038 23.007 0.031 1 1 158 . 2 1 1 A 19 19 ALA N N 19 121.116 122.153 -1.037 1 1 159 . 2 1 1 A 20 20 THR H H 20 8.710 8.642 0.068 1 1 160 . 2 1 1 A 20 20 THR HA H 20 4.787 4.874 -0.087 1 1 165 . 2 1 1 A 20 20 THR C C 20 175.596 174.975 0.621 1 1 166 . 2 1 1 A 20 20 THR CA C 20 60.341 59.895 0.446 1 1 167 . 2 1 1 A 20 20 THR CB C 20 71.307 70.906 0.401 1 1 169 . 2 1 1 A 20 20 THR N N 20 110.762 111.803 -1.041 1 1 170 . 2 1 1 A 21 21 MET H H 21 8.686 8.781 -0.095 1 1 171 . 2 1 1 A 21 21 MET HA H 21 4.618 4.385 0.233 1 1 179 . 2 1 1 A 21 21 MET C C 21 174.754 176.641 -1.887 1 1 180 . 2 1 1 A 21 21 MET CA C 21 59.272 57.515 1.757 1 1 181 . 2 1 1 A 21 21 MET CB C 21 34.488 32.956 1.532 1 1 184 . 2 1 1 A 21 21 MET N N 21 118.478 120.431 -1.953 1 1 185 . 2 1 1 A 22 22 ARG H H 22 7.296 7.940 -0.644 1 1 186 . 2 1 1 A 22 22 ARG HA H 22 4.453 4.711 -0.258 1 1 193 . 2 1 1 A 22 22 ARG C C 22 174.722 175.022 -0.300 1 1 194 . 2 1 1 A 22 22 ARG CA C 22 54.218 55.332 -1.114 1 1 195 . 2 1 1 A 22 22 ARG CB C 22 32.509 31.197 1.312 1 1 198 . 2 1 1 A 22 22 ARG N N 22 108.176 116.889 -8.713 1 1 199 . 2 1 1 A 23 23 SER H H 23 7.387 7.570 -0.183 1 1 200 . 2 1 1 A 23 23 SER HA H 23 5.353 5.167 0.186 1 1 203 . 2 1 1 A 23 23 SER C C 23 171.910 172.360 -0.450 1 1 204 . 2 1 1 A 23 23 SER CA C 23 57.230 57.521 -0.291 1 1 205 . 2 1 1 A 23 23 SER CB C 23 68.011 67.070 0.941 1 1 206 . 2 1 1 A 23 23 SER N N 23 114.861 113.845 1.016 1 1 207 . 2 1 1 A 24 24 ILE H H 24 8.061 8.298 -0.237 1 1 208 . 2 1 1 A 24 24 ILE HA H 24 4.470 4.791 -0.321 1 1 218 . 2 1 1 A 24 24 ILE C C 24 174.028 174.474 -0.446 1 1 219 . 2 1 1 A 24 24 ILE CA C 24 61.402 60.087 1.315 1 1 220 . 2 1 1 A 24 24 ILE CB C 24 43.249 41.868 1.381 1 1 224 . 2 1 1 A 24 24 ILE N N 24 116.152 121.545 -5.393 1 1 225 . 2 1 1 A 25 25 THR H H 25 8.584 8.854 -0.270 1 1 226 . 2 1 1 A 25 25 THR HA H 25 5.107 4.931 0.176 1 1 231 . 2 1 1 A 25 25 THR C C 25 173.463 173.438 0.025 1 1 232 . 2 1 1 A 25 25 THR CA C 25 62.127 61.485 0.642 1 1 233 . 2 1 1 A 25 25 THR CB C 25 68.954 70.474 -1.520 1 1 235 . 2 1 1 A 25 25 THR N N 25 122.080 123.994 -1.914 1 1 236 . 2 1 1 A 26 26 LEU H H 26 9.093 8.401 0.692 1 1 237 . 2 1 1 A 26 26 LEU HA H 26 5.427 5.045 0.382 1 1 247 . 2 1 1 A 26 26 LEU C C 26 175.180 175.417 -0.237 1 1 248 . 2 1 1 A 26 26 LEU CA C 26 53.181 53.383 -0.202 1 1 249 . 2 1 1 A 26 26 LEU CB C 26 46.902 46.662 0.240 1 1 253 . 2 1 1 A 26 26 LEU N N 26 128.231 126.321 1.910 1 1 254 . 2 1 1 A 27 27 SER H H 27 9.260 8.554 0.706 1 1 255 . 2 1 1 A 27 27 SER HA H 27 4.757 4.938 -0.181 1 1 258 . 2 1 1 A 27 27 SER C C 27 172.413 172.748 -0.335 1 1 259 . 2 1 1 A 27 27 SER CA C 27 56.912 56.647 0.265 1 1 260 . 2 1 1 A 27 27 SER CB C 27 66.220 65.210 1.010 1 1 261 . 2 1 1 A 27 27 SER N N 27 115.325 115.642 -0.317 1 1 262 . 2 1 1 A 28 28 TRP H H 28 7.430 7.858 -0.428 1 1 263 . 2 1 1 A 28 28 TRP HA H 28 5.212 5.606 -0.394 1 1 272 . 2 1 1 A 28 28 TRP C C 28 171.555 174.116 -2.561 1 1 273 . 2 1 1 A 28 28 TRP CA C 28 55.143 54.696 0.447 1 1 274 . 2 1 1 A 28 28 TRP CB C 28 28.918 32.276 -3.358 1 1 280 . 2 1 1 A 28 28 TRP N N 28 119.703 123.220 -3.517 1 1 282 . 2 1 1 A 29 29 PRO HA H 29 4.543 4.565 -0.022 1 1 289 . 2 1 1 A 29 29 PRO C C 29 175.962 175.874 0.088 1 1 290 . 2 1 1 A 29 29 PRO CA C 29 61.702 62.423 -0.721 1 1 291 . 2 1 1 A 29 29 PRO CB C 29 32.041 32.939 -0.898 1 1 294 . 2 1 1 A 30 30 GLN H H 30 8.248 8.561 -0.313 1 1 295 . 2 1 1 A 30 30 GLN HA H 30 4.654 4.797 -0.143 1 1 302 . 2 1 1 A 30 30 GLN C C 30 174.856 174.814 0.042 1 1 303 . 2 1 1 A 30 30 GLN CA C 30 54.524 53.459 1.065 1 1 304 . 2 1 1 A 30 30 GLN CB C 30 28.623 30.897 -2.274 1 1 306 . 2 1 1 A 30 30 GLN N N 30 117.321 120.716 -3.395 1 1 308 . 2 1 1 A 31 31 PRO HA H 31 4.116 4.814 -0.698 1 1 315 . 2 1 1 A 31 31 PRO C C 31 175.787 176.123 -0.336 1 1 316 . 2 1 1 A 31 31 PRO CA C 31 63.364 63.023 0.341 1 1 317 . 2 1 1 A 31 31 PRO CB C 31 32.503 33.291 -0.788 1 1 320 . 2 1 1 A 32 32 GLU H H 32 8.367 8.370 -0.003 1 1 321 . 2 1 1 A 32 32 GLU HA H 32 4.004 4.505 -0.501 1 1 326 . 2 1 1 A 32 32 GLU C C 32 176.748 176.728 0.020 1 1 327 . 2 1 1 A 32 32 GLU CA C 32 58.644 56.087 2.557 1 1 328 . 2 1 1 A 32 32 GLU CB C 32 30.271 30.370 -0.099 1 1 330 . 2 1 1 A 32 32 GLU N N 32 122.959 117.423 5.536 1 1 331 . 2 1 1 A 33 33 GLN H H 33 8.220 7.758 0.462 1 1 332 . 2 1 1 A 33 33 GLN HA H 33 4.820 4.876 -0.056 1 1 339 . 2 1 1 A 33 33 GLN C C 33 172.938 174.389 -1.451 1 1 340 . 2 1 1 A 33 33 GLN CA C 33 52.544 53.487 -0.943 1 1 341 . 2 1 1 A 33 33 GLN CB C 33 29.077 29.491 -0.414 1 1 343 . 2 1 1 A 33 33 GLN N N 33 116.413 119.579 -3.166 1 1 345 . 2 1 1 A 34 34 PRO HA H 34 4.039 4.424 -0.385 1 1 352 . 2 1 1 A 34 34 PRO C C 34 175.293 176.636 -1.343 1 1 353 . 2 1 1 A 34 34 PRO CA C 34 64.248 63.604 0.644 1 1 354 . 2 1 1 A 34 34 PRO CB C 34 31.974 32.098 -0.124 1 1 357 . 2 1 1 A 35 35 ASN H H 35 8.478 8.182 0.296 1 1 358 . 2 1 1 A 35 35 ASN HA H 35 4.270 4.371 -0.101 1 1 363 . 2 1 1 A 35 35 ASN C C 35 173.982 174.664 -0.682 1 1 364 . 2 1 1 A 35 35 ASN CA C 35 53.655 54.533 -0.878 1 1 365 . 2 1 1 A 35 35 ASN CB C 35 37.151 37.084 0.067 1 1 366 . 2 1 1 A 35 35 ASN N N 35 111.907 115.207 -3.300 1 1 368 . 2 1 1 A 36 36 GLY H H 36 7.537 8.154 -0.617 1 1 369 . 2 1 1 A 36 36 GLY HA2 H 36 4.247 4.127 0.120 1 1 370 . 2 1 1 A 36 36 GLY HA3 H 36 3.749 4.136 -0.387 1 1 371 . 2 1 1 A 36 36 GLY C C 36 172.062 172.391 -0.329 1 1 372 . 2 1 1 A 36 36 GLY CA C 36 44.147 45.037 -0.890 1 1 373 . 2 1 1 A 36 36 GLY N N 36 105.149 105.211 -0.062 1 1 374 . 2 1 1 A 37 37 ILE H H 37 8.107 8.173 -0.066 1 1 375 . 2 1 1 A 37 37 ILE HA H 37 4.017 4.890 -0.873 1 1 385 . 2 1 1 A 37 37 ILE C C 37 176.534 175.804 0.730 1 1 386 . 2 1 1 A 37 37 ILE CA C 37 60.331 60.011 0.320 1 1 387 . 2 1 1 A 37 37 ILE CB C 37 38.929 39.389 -0.460 1 1 391 . 2 1 1 A 37 37 ILE N N 37 120.104 122.281 -2.177 1 1 392 . 2 1 1 A 38 38 ILE H H 38 8.678 8.796 -0.118 1 1 393 . 2 1 1 A 38 38 ILE HA H 38 3.695 3.925 -0.230 1 1 403 . 2 1 1 A 38 38 ILE C C 38 176.027 175.139 0.888 1 1 404 . 2 1 1 A 38 38 ILE CA C 38 61.811 61.400 0.411 1 1 405 . 2 1 1 A 38 38 ILE CB C 38 37.028 36.772 0.256 1 1 409 . 2 1 1 A 38 38 ILE N N 38 127.591 128.513 -0.922 1 1 410 . 2 1 1 A 39 39 LEU H H 39 9.054 8.496 0.558 1 1 411 . 2 1 1 A 39 39 LEU HA H 39 4.188 4.031 0.157 1 1 421 . 2 1 1 A 39 39 LEU C C 39 176.826 176.774 0.052 1 1 422 . 2 1 1 A 39 39 LEU CA C 39 56.416 57.357 -0.941 1 1 423 . 2 1 1 A 39 39 LEU CB C 39 42.664 42.340 0.324 1 1 427 . 2 1 1 A 39 39 LEU N N 39 130.577 129.720 0.857 1 1 428 . 2 1 1 A 40 40 ASP H H 40 7.502 7.584 -0.082 1 1 429 . 2 1 1 A 40 40 ASP HA H 40 4.392 5.036 -0.644 1 1 432 . 2 1 1 A 40 40 ASP C C 40 171.781 174.231 -2.450 1 1 433 . 2 1 1 A 40 40 ASP CA C 40 52.884 52.407 0.477 1 1 434 . 2 1 1 A 40 40 ASP CB C 40 41.985 45.898 -3.913 1 1 435 . 2 1 1 A 40 40 ASP N N 40 112.731 115.900 -3.169 1 1 436 . 2 1 1 A 41 41 TYR H H 41 8.974 8.563 0.411 1 1 437 . 2 1 1 A 41 41 TYR HA H 41 5.379 5.241 0.138 1 1 444 . 2 1 1 A 41 41 TYR C C 41 175.555 174.425 1.130 1 1 445 . 2 1 1 A 41 41 TYR CA C 41 56.574 56.612 -0.038 1 1 446 . 2 1 1 A 41 41 TYR CB C 41 42.213 41.868 0.345 1 1 449 . 2 1 1 A 41 41 TYR N N 41 111.324 117.653 -6.329 1 1 450 . 2 1 1 A 42 42 GLU H H 42 9.184 9.171 0.013 1 1 451 . 2 1 1 A 42 42 GLU HA H 42 5.066 5.013 0.053 1 1 456 . 2 1 1 A 42 42 GLU C C 42 174.368 175.160 -0.792 1 1 457 . 2 1 1 A 42 42 GLU CA C 42 55.126 55.440 -0.314 1 1 458 . 2 1 1 A 42 42 GLU CB C 42 33.471 31.871 1.600 1 1 460 . 2 1 1 A 42 42 GLU N N 42 120.875 124.219 -3.344 1 1 461 . 2 1 1 A 43 43 ILE H H 43 9.355 8.818 0.537 1 1 462 . 2 1 1 A 43 43 ILE HA H 43 4.853 5.040 -0.187 1 1 472 . 2 1 1 A 43 43 ILE C C 43 174.430 174.370 0.060 1 1 473 . 2 1 1 A 43 43 ILE CA C 43 60.323 60.476 -0.153 1 1 474 . 2 1 1 A 43 43 ILE CB C 43 40.297 40.839 -0.542 1 1 478 . 2 1 1 A 43 43 ILE N N 43 126.045 126.443 -0.398 1 1 479 . 2 1 1 A 44 44 ARG H H 44 9.097 9.289 -0.192 1 1 480 . 2 1 1 A 44 44 ARG HA H 44 5.545 5.194 0.351 1 1 487 . 2 1 1 A 44 44 ARG C C 44 175.523 174.758 0.765 1 1 488 . 2 1 1 A 44 44 ARG CA C 44 54.386 54.392 -0.006 1 1 489 . 2 1 1 A 44 44 ARG CB C 44 34.638 32.701 1.937 1 1 492 . 2 1 1 A 44 44 ARG N N 44 127.831 129.706 -1.875 1 1 493 . 2 1 1 A 45 45 TYR H H 45 8.893 8.430 0.463 1 1 494 . 2 1 1 A 45 45 TYR HA H 45 6.272 6.028 0.244 1 1 501 . 2 1 1 A 45 45 TYR C C 45 173.560 173.096 0.464 1 1 502 . 2 1 1 A 45 45 TYR CA C 45 54.767 55.668 -0.901 1 1 503 . 2 1 1 A 45 45 TYR CB C 45 43.168 42.172 0.996 1 1 508 . 2 1 1 A 45 45 TYR N N 45 123.683 122.427 1.256 1 1 509 . 2 1 1 A 46 46 TYR H H 46 8.479 8.255 0.224 1 1 510 . 2 1 1 A 46 46 TYR HA H 46 5.048 5.303 -0.255 1 1 517 . 2 1 1 A 46 46 TYR C C 46 173.870 174.804 -0.934 1 1 518 . 2 1 1 A 46 46 TYR CA C 46 55.485 55.447 0.038 1 1 519 . 2 1 1 A 46 46 TYR CB C 46 39.975 41.550 -1.575 1 1 524 . 2 1 1 A 46 46 TYR N N 46 114.778 118.123 -3.345 1 1 525 . 2 1 1 A 47 47 GLU H H 47 9.111 8.657 0.454 1 1 526 . 2 1 1 A 47 47 GLU HA H 47 3.819 3.809 0.010 1 1 531 . 2 1 1 A 47 47 GLU C C 47 177.764 177.526 0.238 1 1 532 . 2 1 1 A 47 47 GLU CA C 47 57.123 57.071 0.052 1 1 533 . 2 1 1 A 47 47 GLU CB C 47 29.773 29.784 -0.011 1 1 535 . 2 1 1 A 47 47 GLU N N 47 122.069 122.452 -0.383 1 1 536 . 2 1 1 A 48 48 LYS H H 48 8.246 8.274 -0.028 1 1 537 . 2 1 1 A 48 48 LYS HA H 48 3.722 4.052 -0.330 1 1 546 . 2 1 1 A 48 48 LYS C C 48 176.588 177.592 -1.004 1 1 547 . 2 1 1 A 48 48 LYS CA C 48 59.774 58.751 1.023 1 1 548 . 2 1 1 A 48 48 LYS CB C 48 33.032 32.419 0.613 1 1 552 . 2 1 1 A 48 48 LYS N N 48 122.857 124.426 -1.569 1 1 553 . 2 1 1 A 49 49 GLU H H 49 8.192 7.773 0.419 1 1 554 . 2 1 1 A 49 49 GLU HA H 49 4.216 4.474 -0.258 1 1 559 . 2 1 1 A 49 49 GLU C C 49 176.987 175.732 1.255 1 1 560 . 2 1 1 A 49 49 GLU CA C 49 57.447 56.387 1.060 1 1 561 . 2 1 1 A 49 49 GLU CB C 49 28.987 30.240 -1.253 1 1 563 . 2 1 1 A 49 49 GLU N N 49 114.305 116.614 -2.309 1 1 564 . 2 1 1 A 50 50 HIS H H 50 8.329 8.130 0.199 1 1 565 . 2 1 1 A 50 50 HIS HA H 50 4.928 5.057 -0.129 1 1 570 . 2 1 1 A 50 50 HIS C C 50 173.255 173.603 -0.348 1 1 571 . 2 1 1 A 50 50 HIS CA C 50 54.372 54.928 -0.556 1 1 572 . 2 1 1 A 50 50 HIS CB C 50 31.082 34.198 -3.116 1 1 575 . 2 1 1 A 50 50 HIS N N 50 120.021 117.935 2.086 1 1 576 . 2 1 1 A 51 51 ASN H H 51 7.687 8.834 -1.147 1 1 577 . 2 1 1 A 51 51 ASN HA H 51 4.259 4.830 -0.571 1 1 582 . 2 1 1 A 51 51 ASN C C 51 174.779 175.642 -0.863 1 1 583 . 2 1 1 A 51 51 ASN CA C 51 52.561 50.580 1.981 1 1 584 . 2 1 1 A 51 51 ASN CB C 51 39.474 41.299 -1.825 1 1 585 . 2 1 1 A 51 51 ASN N N 51 114.158 119.759 -5.601 1 1 587 . 2 1 1 A 52 52 GLU H H 52 8.551 8.599 -0.048 1 1 588 . 2 1 1 A 52 52 GLU HA H 52 2.797 3.656 -0.859 1 1 593 . 2 1 1 A 52 52 GLU C C 52 177.117 178.797 -1.680 1 1 594 . 2 1 1 A 52 52 GLU CA C 52 58.155 59.398 -1.243 1 1 595 . 2 1 1 A 52 52 GLU CB C 52 28.912 29.083 -0.171 1 1 597 . 2 1 1 A 52 52 GLU N N 52 117.019 123.827 -6.808 1 1 598 . 2 1 1 A 53 53 PHE H H 53 7.855 8.359 -0.504 1 1 599 . 2 1 1 A 53 53 PHE HA H 53 4.371 4.023 0.348 1 1 607 . 2 1 1 A 53 53 PHE C C 53 175.783 177.127 -1.344 1 1 608 . 2 1 1 A 53 53 PHE CA C 53 58.785 61.745 -2.960 1 1 609 . 2 1 1 A 53 53 PHE CB C 53 37.747 39.126 -1.379 1 1 615 . 2 1 1 A 53 53 PHE N N 53 119.462 121.021 -1.559 1 1 616 . 2 1 1 A 54 54 ASN H H 54 7.744 7.970 -0.226 1 1 617 . 2 1 1 A 54 54 ASN HA H 54 4.948 4.852 0.096 1 1 622 . 2 1 1 A 54 54 ASN C C 54 173.922 173.912 0.010 1 1 623 . 2 1 1 A 54 54 ASN CA C 54 52.102 52.585 -0.483 1 1 624 . 2 1 1 A 54 54 ASN CB C 54 38.637 36.735 1.902 1 1 625 . 2 1 1 A 54 54 ASN N N 54 120.451 115.729 4.722 1 1 627 . 2 1 1 A 55 55 SER H H 55 7.469 7.975 -0.506 1 1 628 . 2 1 1 A 55 55 SER HA H 55 4.710 4.975 -0.265 1 1 631 . 2 1 1 A 55 55 SER C C 55 173.922 172.328 1.594 1 1 632 . 2 1 1 A 55 55 SER CA C 55 57.883 55.760 2.123 1 1 633 . 2 1 1 A 55 55 SER CB C 55 66.064 65.401 0.663 1 1 634 . 2 1 1 A 55 55 SER N N 55 113.429 118.971 -5.542 1 1 635 . 2 1 1 A 56 56 SER H H 56 8.458 8.183 0.275 1 1 636 . 2 1 1 A 56 56 SER HA H 56 4.632 4.892 -0.260 1 1 639 . 2 1 1 A 56 56 SER C C 56 171.119 172.608 -1.489 1 1 640 . 2 1 1 A 56 56 SER CA C 56 57.866 57.289 0.577 1 1 641 . 2 1 1 A 56 56 SER CB C 56 65.164 65.908 -0.744 1 1 642 . 2 1 1 A 56 56 SER N N 56 116.653 117.965 -1.312 1 1 643 . 2 1 1 A 57 57 MET H H 57 8.355 8.754 -0.399 1 1 644 . 2 1 1 A 57 57 MET HA H 57 5.776 5.594 0.182 1 1 652 . 2 1 1 A 57 57 MET C C 57 175.771 175.651 0.120 1 1 653 . 2 1 1 A 57 57 MET CA C 57 53.913 53.654 0.259 1 1 654 . 2 1 1 A 57 57 MET CB C 57 36.115 34.345 1.770 1 1 657 . 2 1 1 A 57 57 MET N N 57 119.463 124.590 -5.127 1 1 658 . 2 1 1 A 58 58 ALA H H 58 9.547 8.929 0.618 1 1 659 . 2 1 1 A 58 58 ALA HA H 58 4.890 5.345 -0.455 1 1 663 . 2 1 1 A 58 58 ALA C C 58 175.328 175.733 -0.405 1 1 664 . 2 1 1 A 58 58 ALA CA C 58 50.829 50.904 -0.075 1 1 665 . 2 1 1 A 58 58 ALA CB C 58 22.649 22.846 -0.197 1 1 666 . 2 1 1 A 58 58 ALA N N 58 127.410 122.829 4.581 1 1 667 . 2 1 1 A 59 59 ARG H H 59 8.776 8.659 0.117 1 1 668 . 2 1 1 A 59 59 ARG HA H 59 5.567 5.026 0.541 1 1 675 . 2 1 1 A 59 59 ARG C C 59 176.336 175.406 0.930 1 1 676 . 2 1 1 A 59 59 ARG CA C 59 54.843 55.837 -0.994 1 1 677 . 2 1 1 A 59 59 ARG CB C 59 33.691 32.241 1.450 1 1 680 . 2 1 1 A 59 59 ARG N N 59 119.945 123.573 -3.628 1 1 681 . 2 1 1 A 60 60 SER H H 60 8.919 8.233 0.686 1 1 682 . 2 1 1 A 60 60 SER HA H 60 5.011 5.257 -0.246 1 1 685 . 2 1 1 A 60 60 SER C C 60 174.614 173.520 1.094 1 1 686 . 2 1 1 A 60 60 SER CA C 60 56.752 56.930 -0.178 1 1 687 . 2 1 1 A 60 60 SER CB C 60 66.198 65.617 0.581 1 1 688 . 2 1 1 A 60 60 SER N N 60 115.274 115.929 -0.655 1 1 689 . 2 1 1 A 61 61 GLN H H 61 9.367 8.741 0.626 1 1 690 . 2 1 1 A 61 61 GLN HA H 61 4.556 4.599 -0.043 1 1 697 . 2 1 1 A 61 61 GLN C C 61 175.391 175.304 0.087 1 1 698 . 2 1 1 A 61 61 GLN CA C 61 57.664 56.431 1.233 1 1 699 . 2 1 1 A 61 61 GLN CB C 61 29.763 29.229 0.534 1 1 701 . 2 1 1 A 61 61 GLN N N 61 124.808 123.554 1.254 1 1 703 . 2 1 1 A 62 62 THR H H 62 8.075 7.601 0.474 1 1 704 . 2 1 1 A 62 62 THR HA H 62 4.918 4.673 0.245 1 1 709 . 2 1 1 A 62 62 THR C C 62 173.106 172.928 0.178 1 1 710 . 2 1 1 A 62 62 THR CA C 62 59.369 60.246 -0.877 1 1 711 . 2 1 1 A 62 62 THR CB C 62 70.607 70.304 0.303 1 1 713 . 2 1 1 A 62 62 THR N N 62 110.260 114.086 -3.826 1 1 714 . 2 1 1 A 63 63 ASN H H 63 8.575 8.432 0.143 1 1 715 . 2 1 1 A 63 63 ASN HA H 63 3.457 4.033 -0.576 1 1 720 . 2 1 1 A 63 63 ASN C C 63 172.343 173.440 -1.097 1 1 721 . 2 1 1 A 63 63 ASN CA C 63 53.270 52.684 0.586 1 1 722 . 2 1 1 A 63 63 ASN CB C 63 34.441 38.499 -4.058 1 1 723 . 2 1 1 A 63 63 ASN N N 63 119.090 120.821 -1.731 1 1 725 . 2 1 1 A 64 64 THR H H 64 6.850 7.231 -0.381 1 1 726 . 2 1 1 A 64 64 THR HA H 64 4.296 3.938 0.358 1 1 731 . 2 1 1 A 64 64 THR C C 64 172.238 171.964 0.274 1 1 732 . 2 1 1 A 64 64 THR CA C 64 60.501 60.998 -0.497 1 1 733 . 2 1 1 A 64 64 THR CB C 64 71.252 71.325 -0.073 1 1 735 . 2 1 1 A 64 64 THR N N 64 111.612 113.743 -2.131 1 1 736 . 2 1 1 A 65 65 ALA H H 65 8.619 8.937 -0.318 1 1 737 . 2 1 1 A 65 65 ALA HA H 65 4.595 5.182 -0.587 1 1 741 . 2 1 1 A 65 65 ALA C C 65 174.046 174.640 -0.594 1 1 742 . 2 1 1 A 65 65 ALA CA C 65 52.102 50.798 1.304 1 1 743 . 2 1 1 A 65 65 ALA CB C 65 22.427 23.367 -0.940 1 1 744 . 2 1 1 A 65 65 ALA N N 65 124.370 130.648 -6.278 1 1 745 . 2 1 1 A 66 66 ARG H H 66 8.533 8.777 -0.244 1 1 746 . 2 1 1 A 66 66 ARG HA H 66 4.973 5.162 -0.189 1 1 753 . 2 1 1 A 66 66 ARG C C 66 175.240 174.607 0.633 1 1 754 . 2 1 1 A 66 66 ARG CA C 66 54.560 54.493 0.067 1 1 755 . 2 1 1 A 66 66 ARG CB C 66 32.088 33.444 -1.356 1 1 758 . 2 1 1 A 66 66 ARG N N 66 122.633 121.643 0.990 1 1 759 . 2 1 1 A 67 67 ILE H H 67 8.967 8.928 0.039 1 1 760 . 2 1 1 A 67 67 ILE HA H 67 4.013 4.488 -0.475 1 1 770 . 2 1 1 A 67 67 ILE C C 67 174.026 174.976 -0.950 1 1 771 . 2 1 1 A 67 67 ILE CA C 67 60.377 59.632 0.745 1 1 772 . 2 1 1 A 67 67 ILE CB C 67 38.044 38.110 -0.066 1 1 776 . 2 1 1 A 67 67 ILE N N 67 128.560 127.707 0.853 1 1 777 . 2 1 1 A 68 68 ASP H H 68 8.117 8.568 -0.451 1 1 778 . 2 1 1 A 68 68 ASP HA H 68 5.060 5.473 -0.413 1 1 781 . 2 1 1 A 68 68 ASP C C 68 175.792 176.243 -0.451 1 1 782 . 2 1 1 A 68 68 ASP CA C 68 52.474 52.283 0.191 1 1 783 . 2 1 1 A 68 68 ASP CB C 68 44.116 44.159 -0.043 1 1 784 . 2 1 1 A 68 68 ASP N N 68 125.243 125.550 -0.307 1 1 785 . 2 1 1 A 69 69 GLY H H 69 8.568 8.723 -0.155 1 1 786 . 2 1 1 A 69 69 GLY HA2 H 69 3.951 3.963 -0.012 1 1 787 . 2 1 1 A 69 69 GLY HA3 H 69 3.830 3.976 -0.146 1 1 788 . 2 1 1 A 69 69 GLY C C 69 175.359 173.997 1.362 1 1 789 . 2 1 1 A 69 69 GLY CA C 69 46.356 45.060 1.296 1 1 790 . 2 1 1 A 69 69 GLY N N 69 105.736 111.173 -5.437 1 1 791 . 2 1 1 A 70 70 LEU H H 70 7.982 7.702 0.280 1 1 792 . 2 1 1 A 70 70 LEU HA H 70 4.356 4.590 -0.234 1 1 802 . 2 1 1 A 70 70 LEU C C 70 175.151 176.046 -0.895 1 1 803 . 2 1 1 A 70 70 LEU CA C 70 53.110 53.051 0.059 1 1 804 . 2 1 1 A 70 70 LEU CB C 70 40.992 44.003 -3.011 1 1 808 . 2 1 1 A 70 70 LEU N N 70 118.817 121.045 -2.228 1 1 809 . 2 1 1 A 71 71 ARG H H 71 8.148 8.266 -0.118 1 1 810 . 2 1 1 A 71 71 ARG HA H 71 4.922 4.801 0.121 1 1 817 . 2 1 1 A 71 71 ARG C C 71 174.419 174.018 0.401 1 1 818 . 2 1 1 A 71 71 ARG CA C 71 53.534 53.299 0.235 1 1 819 . 2 1 1 A 71 71 ARG CB C 71 32.001 30.744 1.257 1 1 822 . 2 1 1 A 71 71 ARG N N 71 118.182 120.998 -2.816 1 1 823 . 2 1 1 A 72 72 PRO HA H 72 5.168 4.530 0.638 1 1 830 . 2 1 1 A 72 72 PRO C C 72 178.121 177.600 0.521 1 1 831 . 2 1 1 A 72 72 PRO CA C 72 63.416 63.639 -0.223 1 1 832 . 2 1 1 A 72 72 PRO CB C 72 32.908 31.554 1.354 1 1 835 . 2 1 1 A 73 73 GLY H H 73 7.705 8.711 -1.006 1 1 836 . 2 1 1 A 73 73 GLY HA2 H 73 3.856 3.960 -0.104 1 1 837 . 2 1 1 A 73 73 GLY HA3 H 73 3.508 3.966 -0.458 1 1 838 . 2 1 1 A 73 73 GLY C C 73 173.685 173.856 -0.171 1 1 839 . 2 1 1 A 73 73 GLY CA C 73 46.731 46.632 0.099 1 1 840 . 2 1 1 A 73 73 GLY N N 73 112.669 111.950 0.719 1 1 841 . 2 1 1 A 74 74 MET H H 74 7.511 7.468 0.043 1 1 842 . 2 1 1 A 74 74 MET HA H 74 4.742 5.044 -0.302 1 1 850 . 2 1 1 A 74 74 MET C C 74 173.525 174.186 -0.661 1 1 851 . 2 1 1 A 74 74 MET CA C 74 53.216 54.331 -1.115 1 1 852 . 2 1 1 A 74 74 MET CB C 74 33.610 38.263 -4.653 1 1 855 . 2 1 1 A 74 74 MET N N 74 119.820 118.264 1.556 1 1 856 . 2 1 1 A 75 75 VAL H H 75 7.651 8.401 -0.750 1 1 857 . 2 1 1 A 75 75 VAL HA H 75 4.361 4.892 -0.531 1 1 865 . 2 1 1 A 75 75 VAL C C 75 174.677 174.501 0.176 1 1 866 . 2 1 1 A 75 75 VAL CA C 75 61.581 61.119 0.462 1 1 867 . 2 1 1 A 75 75 VAL CB C 75 32.345 34.207 -1.862 1 1 870 . 2 1 1 A 75 75 VAL N N 75 121.287 120.288 0.999 1 1 871 . 2 1 1 A 76 76 TYR H H 76 9.405 8.874 0.531 1 1 872 . 2 1 1 A 76 76 TYR HA H 76 4.743 4.956 -0.213 1 1 879 . 2 1 1 A 76 76 TYR C C 76 174.740 174.843 -0.103 1 1 880 . 2 1 1 A 76 76 TYR CA C 76 57.424 56.710 0.714 1 1 881 . 2 1 1 A 76 76 TYR CB C 76 41.151 41.962 -0.811 1 1 886 . 2 1 1 A 76 76 TYR N N 76 126.231 125.667 0.564 1 1 887 . 2 1 1 A 77 77 VAL H H 77 8.867 8.357 0.510 1 1 888 . 2 1 1 A 77 77 VAL HA H 77 4.318 4.412 -0.094 1 1 896 . 2 1 1 A 77 77 VAL C C 77 175.773 175.073 0.700 1 1 897 . 2 1 1 A 77 77 VAL CA C 77 61.473 62.558 -1.085 1 1 898 . 2 1 1 A 77 77 VAL CB C 77 31.218 30.981 0.237 1 1 901 . 2 1 1 A 77 77 VAL N N 77 123.699 124.316 -0.617 1 1 902 . 2 1 1 A 78 78 VAL H H 78 8.683 9.032 -0.349 1 1 903 . 2 1 1 A 78 78 VAL HA H 78 4.995 5.306 -0.311 1 1 911 . 2 1 1 A 78 78 VAL C C 78 175.275 174.903 0.372 1 1 912 . 2 1 1 A 78 78 VAL CA C 78 60.942 60.791 0.151 1 1 913 . 2 1 1 A 78 78 VAL CB C 78 34.790 34.337 0.453 1 1 916 . 2 1 1 A 78 78 VAL N N 78 124.155 128.882 -4.727 1 1 917 . 2 1 1 A 79 79 GLN H H 79 8.613 8.170 0.443 1 1 918 . 2 1 1 A 79 79 GLN HA H 79 4.511 5.030 -0.519 1 1 925 . 2 1 1 A 79 79 GLN C C 79 173.361 174.208 -0.847 1 1 926 . 2 1 1 A 79 79 GLN CA C 79 54.666 54.232 0.434 1 1 927 . 2 1 1 A 79 79 GLN CB C 79 36.751 33.213 3.538 1 1 929 . 2 1 1 A 79 79 GLN N N 79 121.693 122.490 -0.797 1 1 931 . 2 1 1 A 80 80 VAL H H 80 9.019 8.776 0.243 1 1 932 . 2 1 1 A 80 80 VAL HA H 80 5.801 4.905 0.896 1 1 940 . 2 1 1 A 80 80 VAL C C 80 174.526 173.838 0.688 1 1 941 . 2 1 1 A 80 80 VAL CA C 80 58.750 59.609 -0.859 1 1 942 . 2 1 1 A 80 80 VAL CB C 80 35.479 34.673 0.806 1 1 945 . 2 1 1 A 80 80 VAL N N 80 118.559 119.719 -1.160 1 1 946 . 2 1 1 A 81 81 ARG H H 81 9.199 8.662 0.537 1 1 947 . 2 1 1 A 81 81 ARG HA H 81 4.951 4.947 0.004 1 1 955 . 2 1 1 A 81 81 ARG C C 81 172.660 174.295 -1.635 1 1 956 . 2 1 1 A 81 81 ARG CA C 81 54.295 53.615 0.680 1 1 957 . 2 1 1 A 81 81 ARG CB C 81 33.750 33.773 -0.023 1 1 960 . 2 1 1 A 81 81 ARG N N 81 125.225 126.162 -0.937 1 1 962 . 2 1 1 A 82 82 ALA H H 82 8.762 8.625 0.137 1 1 963 . 2 1 1 A 82 82 ALA HA H 82 4.820 5.370 -0.550 1 1 967 . 2 1 1 A 82 82 ALA C C 82 174.783 175.562 -0.779 1 1 968 . 2 1 1 A 82 82 ALA CA C 82 50.741 50.198 0.543 1 1 969 . 2 1 1 A 82 82 ALA CB C 82 22.383 21.445 0.938 1 1 970 . 2 1 1 A 82 82 ALA N N 82 124.292 122.507 1.785 1 1 971 . 2 1 1 A 83 83 ARG H H 83 8.336 8.254 0.082 1 1 972 . 2 1 1 A 83 83 ARG HA H 83 4.737 4.945 -0.208 1 1 980 . 2 1 1 A 83 83 ARG C C 83 175.290 174.460 0.830 1 1 981 . 2 1 1 A 83 83 ARG CA C 83 55.727 54.241 1.486 1 1 982 . 2 1 1 A 83 83 ARG CB C 83 34.562 33.043 1.519 1 1 985 . 2 1 1 A 83 83 ARG N N 83 121.023 122.751 -1.728 1 1 987 . 2 1 1 A 84 84 THR H H 84 8.485 8.429 0.056 1 1 988 . 2 1 1 A 84 84 THR HA H 84 4.875 4.859 0.016 1 1 993 . 2 1 1 A 84 84 THR C C 84 176.218 175.306 0.912 1 1 994 . 2 1 1 A 84 84 THR CA C 84 59.475 59.330 0.145 1 1 995 . 2 1 1 A 84 84 THR CB C 84 72.440 72.022 0.418 1 1 997 . 2 1 1 A 84 84 THR N N 84 116.374 117.935 -1.561 1 1 998 . 2 1 1 A 85 85 VAL H H 85 9.283 8.596 0.687 1 1 999 . 2 1 1 A 85 85 VAL HA H 85 3.794 3.853 -0.059 1 1 1007 . 2 1 1 A 85 85 VAL C C 85 175.930 177.078 -1.148 1 1 1008 . 2 1 1 A 85 85 VAL CA C 85 64.934 64.446 0.488 1 1 1009 . 2 1 1 A 85 85 VAL CB C 85 31.621 31.640 -0.019 1 1 1012 . 2 1 1 A 85 85 VAL N N 85 119.099 121.953 -2.854 1 1 1013 . 2 1 1 A 86 86 ALA H H 86 7.840 7.708 0.132 1 1 1014 . 2 1 1 A 86 86 ALA HA H 86 4.242 4.221 0.021 1 1 1018 . 2 1 1 A 86 86 ALA C C 86 177.467 177.289 0.178 1 1 1019 . 2 1 1 A 86 86 ALA CA C 86 52.774 53.739 -0.965 1 1 1020 . 2 1 1 A 86 86 ALA CB C 86 19.733 19.997 -0.264 1 1 1021 . 2 1 1 A 86 86 ALA N N 86 121.263 122.502 -1.239 1 1 1022 . 2 1 1 A 87 87 GLY H H 87 7.365 7.290 0.075 1 1 1023 . 2 1 1 A 87 87 GLY HA2 H 87 4.402 4.059 0.343 1 1 1024 . 2 1 1 A 87 87 GLY HA3 H 87 3.588 4.106 -0.518 1 1 1025 . 2 1 1 A 87 87 GLY C C 87 171.960 171.036 0.924 1 1 1026 . 2 1 1 A 87 87 GLY CA C 87 44.170 46.121 -1.951 1 1 1027 . 2 1 1 A 87 87 GLY N N 87 105.736 102.073 3.663 1 1 1028 . 2 1 1 A 88 88 TYR H H 88 8.444 8.560 -0.116 1 1 1029 . 2 1 1 A 88 88 TYR HA H 88 5.063 5.127 -0.064 1 1 1036 . 2 1 1 A 88 88 TYR C C 88 179.239 175.869 3.370 1 1 1037 . 2 1 1 A 88 88 TYR CA C 88 58.308 55.860 2.448 1 1 1038 . 2 1 1 A 88 88 TYR CB C 88 41.442 41.150 0.292 1 1 1043 . 2 1 1 A 88 88 TYR N N 88 116.996 120.675 -3.679 1 1 1044 . 2 1 1 A 89 89 GLY H H 89 8.676 9.019 -0.343 1 1 1045 . 2 1 1 A 89 89 GLY HA2 H 89 4.324 4.104 0.220 1 1 1046 . 2 1 1 A 89 89 GLY HA3 H 89 3.973 4.129 -0.156 1 1 1047 . 2 1 1 A 89 89 GLY C C 89 173.844 173.411 0.433 1 1 1048 . 2 1 1 A 89 89 GLY CA C 89 43.916 44.328 -0.412 1 1 1049 . 2 1 1 A 89 89 GLY N N 89 107.850 111.489 -3.639 1 1 1050 . 2 1 1 A 90 90 LYS H H 90 8.711 8.241 0.470 1 1 1051 . 2 1 1 A 90 90 LYS HA H 90 4.166 4.151 0.015 1 1 1060 . 2 1 1 A 90 90 LYS C C 90 177.819 175.897 1.922 1 1 1061 . 2 1 1 A 90 90 LYS CA C 90 56.162 56.220 -0.058 1 1 1062 . 2 1 1 A 90 90 LYS CB C 90 32.730 32.659 0.071 1 1 1066 . 2 1 1 A 90 90 LYS N N 90 119.382 118.763 0.619 1 1 1067 . 2 1 1 A 91 91 PHE H H 91 8.698 8.865 -0.167 1 1 1068 . 2 1 1 A 91 91 PHE HA H 91 4.241 4.736 -0.495 1 1 1076 . 2 1 1 A 91 91 PHE C C 91 176.805 175.887 0.918 1 1 1077 . 2 1 1 A 91 91 PHE CA C 91 61.027 58.271 2.756 1 1 1078 . 2 1 1 A 91 91 PHE CB C 91 39.995 39.587 0.408 1 1 1084 . 2 1 1 A 91 91 PHE N N 91 120.691 120.809 -0.118 1 1 1085 . 2 1 1 A 92 92 SER H H 92 8.311 8.622 -0.311 1 1 1086 . 2 1 1 A 92 92 SER HA H 92 4.259 4.633 -0.374 1 1 1089 . 2 1 1 A 92 92 SER C C 92 173.499 174.910 -1.411 1 1 1090 . 2 1 1 A 92 92 SER CA C 92 58.146 57.928 0.218 1 1 1091 . 2 1 1 A 92 92 SER CB C 92 65.329 65.129 0.200 1 1 1092 . 2 1 1 A 92 92 SER N N 92 115.098 116.386 -1.288 1 1 1093 . 2 1 1 A 93 93 GLY H H 93 8.869 8.530 0.339 1 1 1094 . 2 1 1 A 93 93 GLY HA2 H 93 4.071 3.981 0.090 1 1 1095 . 2 1 1 A 93 93 GLY HA3 H 93 3.780 3.993 -0.213 1 1 1096 . 2 1 1 A 93 93 GLY C C 93 174.375 173.890 0.485 1 1 1097 . 2 1 1 A 93 93 GLY CA C 93 45.331 45.752 -0.421 1 1 1098 . 2 1 1 A 93 93 GLY N N 93 106.252 107.960 -1.708 1 1 1099 . 2 1 1 A 94 94 LYS H H 94 8.619 8.433 0.186 1 1 1100 . 2 1 1 A 94 94 LYS HA H 94 3.633 4.237 -0.604 1 1 1109 . 2 1 1 A 94 94 LYS C C 94 176.004 176.462 -0.458 1 1 1110 . 2 1 1 A 94 94 LYS CA C 94 59.068 56.868 2.200 1 1 1111 . 2 1 1 A 94 94 LYS CB C 94 33.072 32.557 0.515 1 1 1115 . 2 1 1 A 94 94 LYS N N 94 122.645 124.210 -1.565 1 1 1116 . 2 1 1 A 95 95 MET H H 95 7.547 8.759 -1.212 1 1 1117 . 2 1 1 A 95 95 MET HA H 95 4.520 5.064 -0.544 1 1 1125 . 2 1 1 A 95 95 MET C C 95 173.400 174.151 -0.751 1 1 1126 . 2 1 1 A 95 95 MET CA C 95 54.701 52.849 1.852 1 1 1127 . 2 1 1 A 95 95 MET CB C 95 37.784 36.941 0.843 1 1 1130 . 2 1 1 A 95 95 MET N N 95 122.392 120.377 2.015 1 1 1131 . 2 1 1 A 96 96 CYS H H 96 7.888 8.539 -0.651 1 1 1132 . 2 1 1 A 96 96 CYS HA H 96 5.465 5.233 0.232 1 1 1135 . 2 1 1 A 96 96 CYS C C 96 173.757 172.757 1.000 1 1 1136 . 2 1 1 A 96 96 CYS CA C 96 57.353 57.196 0.157 1 1 1137 . 2 1 1 A 96 96 CYS CB C 96 29.941 31.044 -1.103 1 1 1138 . 2 1 1 A 96 96 CYS N N 96 117.124 117.516 -0.392 1 1 1139 . 2 1 1 A 97 97 PHE H H 97 9.133 9.134 -0.001 1 1 1140 . 2 1 1 A 97 97 PHE HA H 97 4.879 5.134 -0.255 1 1 1148 . 2 1 1 A 97 97 PHE C C 97 173.309 175.552 -2.243 1 1 1149 . 2 1 1 A 97 97 PHE CA C 97 56.983 56.389 0.594 1 1 1150 . 2 1 1 A 97 97 PHE CB C 97 44.074 41.714 2.360 1 1 1156 . 2 1 1 A 97 97 PHE N N 97 121.239 121.933 -0.694 1 1 1157 . 2 1 1 A 98 98 GLN H H 98 8.884 8.705 0.179 1 1 1158 . 2 1 1 A 98 98 GLN HA H 98 5.809 5.168 0.641 1 1 1165 . 2 1 1 A 98 98 GLN C C 98 176.454 175.856 0.598 1 1 1166 . 2 1 1 A 98 98 GLN CA C 98 54.125 54.901 -0.776 1 1 1167 . 2 1 1 A 98 98 GLN CB C 98 33.444 30.129 3.315 1 1 1169 . 2 1 1 A 98 98 GLN N N 98 120.699 122.473 -1.774 1 1 1171 . 2 1 1 A 99 99 THR H H 99 8.176 8.160 0.016 1 1 1172 . 2 1 1 A 99 99 THR HA H 99 4.324 4.690 -0.366 1 1 1177 . 2 1 1 A 99 99 THR C C 99 175.929 174.280 1.649 1 1 1178 . 2 1 1 A 99 99 THR CA C 99 60.341 60.814 -0.473 1 1 1179 . 2 1 1 A 99 99 THR CB C 99 70.070 71.775 -1.705 1 1 1181 . 2 1 1 A 99 99 THR N N 99 112.214 112.949 -0.735 1 1 1182 . 2 1 1 A 100 100 LEU H H 100 7.368 8.473 -1.105 1 1 1183 . 2 1 1 A 100 100 LEU HA H 100 4.310 4.433 -0.123 1 1 1193 . 2 1 1 A 100 100 LEU C C 100 177.359 176.810 0.549 1 1 1194 . 2 1 1 A 100 100 LEU CA C 100 54.790 54.840 -0.050 1 1 1195 . 2 1 1 A 100 100 LEU CB C 100 42.096 42.178 -0.082 1 1 1199 . 2 1 1 A 100 100 LEU N N 100 117.018 122.346 -5.328 1 1 1200 . 2 1 1 A 101 101 THR H H 101 7.997 8.642 -0.645 1 1 1201 . 2 1 1 A 101 101 THR HA H 101 4.123 4.951 -0.828 1 1 1206 . 2 1 1 A 101 101 THR C C 101 174.014 172.602 1.412 1 1 1207 . 2 1 1 A 101 101 THR CA C 101 61.968 60.763 1.205 1 1 1208 . 2 1 1 A 101 101 THR CB C 101 70.172 69.641 0.531 1 1 1210 . 2 1 1 A 101 101 THR N N 101 110.428 116.876 -6.448 1 1 1211 . 2 1 1 A 102 102 ASP H H 102 8.320 8.871 -0.551 1 1 1212 . 2 1 1 A 102 102 ASP HA H 102 4.853 4.740 0.113 1 1 1215 . 2 1 1 A 102 102 ASP C C 102 176.204 175.744 0.460 1 1 1216 . 2 1 1 A 102 102 ASP CA C 102 53.694 52.622 1.072 1 1 1217 . 2 1 1 A 102 102 ASP CB C 102 41.808 39.981 1.827 1 1 1218 . 2 1 1 A 102 102 ASP N N 102 120.693 127.975 -7.282 1 1 1219 . 2 1 1 A 103 103 SER H H 103 8.294 9.087 -0.793 1 1 1220 . 2 1 1 A 103 103 SER HA H 103 4.486 4.623 -0.137 1 1 1223 . 2 1 1 A 103 103 SER C C 103 174.875 174.322 0.553 1 1 1224 . 2 1 1 A 103 103 SER CA C 103 58.361 59.622 -1.261 1 1 1225 . 2 1 1 A 103 103 SER CB C 103 63.942 65.589 -1.647 1 1 1226 . 2 1 1 A 103 103 SER N N 103 117.442 122.426 -4.984 1 1 1227 . 2 1 1 A 104 104 GLY H H 104 8.393 7.532 0.861 1 1 1228 . 2 1 1 A 104 104 GLY HA2 H 104 4.104 4.097 0.007 1 1 1229 . 2 1 1 A 104 104 GLY HA3 H 104 4.104 4.097 0.007 1 1 1230 . 2 1 1 A 104 104 GLY C C 104 172.016 173.178 -1.162 1 1 1231 . 2 1 1 A 104 104 GLY CA C 104 44.800 45.595 -0.795 1 1 1232 . 2 1 1 A 104 104 GLY N N 104 111.065 108.051 3.014 1 1 1233 . 2 1 1 A 105 105 PRO HA H 105 4.475 4.278 0.197 1 1 1240 . 2 1 1 A 105 105 PRO C C 105 177.464 177.118 0.346 1 1 1241 . 2 1 1 A 105 105 PRO CA C 105 63.329 62.907 0.422 1 1 1242 . 2 1 1 A 105 105 PRO CB C 105 32.249 32.626 -0.377 1 1 1245 . 2 1 1 A 106 106 SER H H 106 8.514 8.891 -0.377 1 1 1246 . 2 1 1 A 106 106 SER HA H 106 4.512 4.076 0.436 1 1 1249 . 2 1 1 A 106 106 SER C C 106 174.735 173.605 1.130 1 1 1250 . 2 1 1 A 106 106 SER CA C 106 58.361 59.380 -1.019 1 1 1251 . 2 1 1 A 106 106 SER CB C 106 63.820 62.000 1.820 1 1 1252 . 2 1 1 A 106 106 SER N N 106 116.429 117.418 -0.989 1 1 1253 . 2 1 1 A 107 107 SER H H 107 8.329 7.805 0.524 1 1 1254 . 2 1 1 A 107 107 SER HA H 107 4.512 4.699 -0.187 1 1 1257 . 2 1 1 A 107 107 SER C C 107 174.004 174.154 -0.150 1 1 1258 . 2 1 1 A 107 107 SER CA C 107 58.414 57.668 0.746 1 1 1259 . 2 1 1 A 107 107 SER CB C 107 64.014 65.068 -1.054 1 1 1260 . 2 1 1 A 107 107 SER N N 107 117.919 112.577 5.342 1 1 1 . 3 1 1 A 6 6 SER HA H 6 4.523 5.139 -0.616 1 1 3 . 3 1 1 A 6 6 SER CA C 6 58.535 56.248 2.287 1 1 4 . 3 1 1 A 6 6 SER CB C 6 64.106 65.784 -1.678 1 1 5 . 3 1 1 A 7 7 GLY H H 7 8.202 8.245 -0.043 1 1 6 . 3 1 1 A 7 7 GLY HA2 H 7 3.881 4.141 -0.260 1 1 7 . 3 1 1 A 7 7 GLY HA3 H 7 3.740 4.143 -0.403 1 1 8 . 3 1 1 A 7 7 GLY CA C 7 44.322 44.538 -0.216 1 1 9 . 3 1 1 A 7 7 GLY N N 7 109.573 107.001 2.572 1 1 10 . 3 1 1 A 8 8 PRO HA H 8 4.641 4.540 0.101 1 1 17 . 3 1 1 A 8 8 PRO C C 8 176.480 176.690 -0.210 1 1 18 . 3 1 1 A 8 8 PRO CA C 8 62.582 62.579 0.003 1 1 19 . 3 1 1 A 8 8 PRO CB C 8 32.331 32.405 -0.074 1 1 22 . 3 1 1 A 9 9 SER H H 9 8.061 8.371 -0.310 1 1 23 . 3 1 1 A 9 9 SER HA H 9 4.374 4.468 -0.094 1 1 26 . 3 1 1 A 9 9 SER C C 9 173.090 173.601 -0.511 1 1 27 . 3 1 1 A 9 9 SER CA C 9 58.754 58.517 0.237 1 1 28 . 3 1 1 A 9 9 SER CB C 9 63.667 64.183 -0.516 1 1 29 . 3 1 1 A 9 9 SER N N 9 115.137 117.301 -2.164 1 1 30 . 3 1 1 A 10 10 THR H H 10 8.359 8.508 -0.149 1 1 31 . 3 1 1 A 10 10 THR HA H 10 4.027 4.951 -0.924 1 1 36 . 3 1 1 A 10 10 THR C C 10 175.380 173.022 2.358 1 1 37 . 3 1 1 A 10 10 THR CA C 10 62.781 60.558 2.223 1 1 38 . 3 1 1 A 10 10 THR CB C 10 69.617 72.101 -2.484 1 1 40 . 3 1 1 A 10 10 THR N N 10 115.079 117.127 -2.048 1 1 41 . 3 1 1 A 11 11 VAL H H 11 9.280 8.633 0.647 1 1 42 . 3 1 1 A 11 11 VAL HA H 11 4.097 4.132 -0.035 1 1 50 . 3 1 1 A 11 11 VAL C C 11 175.706 176.348 -0.642 1 1 51 . 3 1 1 A 11 11 VAL CA C 11 61.518 61.444 0.074 1 1 52 . 3 1 1 A 11 11 VAL CB C 11 33.174 32.261 0.913 1 1 55 . 3 1 1 A 11 11 VAL N N 11 131.182 127.359 3.823 1 1 56 . 3 1 1 A 12 12 PRO HA H 12 4.415 4.500 -0.085 1 1 63 . 3 1 1 A 12 12 PRO C C 12 175.612 176.334 -0.722 1 1 64 . 3 1 1 A 12 12 PRO CA C 12 64.850 64.554 0.296 1 1 65 . 3 1 1 A 12 12 PRO CB C 12 32.578 32.332 0.246 1 1 68 . 3 1 1 A 13 13 ILE H H 13 7.251 7.539 -0.288 1 1 69 . 3 1 1 A 13 13 ILE HA H 13 4.439 4.614 -0.175 1 1 79 . 3 1 1 A 13 13 ILE C C 13 170.969 173.307 -2.338 1 1 80 . 3 1 1 A 13 13 ILE CA C 13 59.973 59.400 0.573 1 1 81 . 3 1 1 A 13 13 ILE CB C 13 40.776 41.377 -0.601 1 1 85 . 3 1 1 A 13 13 ILE N N 13 115.827 115.886 -0.059 1 1 86 . 3 1 1 A 14 14 MET H H 14 6.827 8.694 -1.867 1 1 87 . 3 1 1 A 14 14 MET HA H 14 4.961 5.534 -0.573 1 1 95 . 3 1 1 A 14 14 MET C C 14 173.380 174.694 -1.314 1 1 96 . 3 1 1 A 14 14 MET CA C 14 55.214 54.207 1.007 1 1 97 . 3 1 1 A 14 14 MET CB C 14 38.223 36.156 2.067 1 1 100 . 3 1 1 A 14 14 MET N N 14 116.754 125.814 -9.060 1 1 101 . 3 1 1 A 15 15 HIS H H 15 9.417 9.183 0.234 1 1 102 . 3 1 1 A 15 15 HIS HA H 15 4.958 5.137 -0.179 1 1 107 . 3 1 1 A 15 15 HIS C C 15 173.901 173.657 0.244 1 1 108 . 3 1 1 A 15 15 HIS CA C 15 55.190 54.630 0.560 1 1 109 . 3 1 1 A 15 15 HIS CB C 15 33.361 33.574 -0.213 1 1 112 . 3 1 1 A 15 15 HIS N N 15 118.539 118.032 0.507 1 1 113 . 3 1 1 A 16 16 GLN H H 16 9.164 8.888 0.276 1 1 114 . 3 1 1 A 16 16 GLN HA H 16 4.385 4.385 0.000 1 1 121 . 3 1 1 A 16 16 GLN C C 16 175.463 174.964 0.499 1 1 122 . 3 1 1 A 16 16 GLN CA C 16 55.992 54.919 1.073 1 1 123 . 3 1 1 A 16 16 GLN CB C 16 29.159 30.326 -1.167 1 1 125 . 3 1 1 A 16 16 GLN N N 16 123.267 123.518 -0.251 1 1 127 . 3 1 1 A 17 17 VAL H H 17 8.983 8.533 0.450 1 1 128 . 3 1 1 A 17 17 VAL HA H 17 3.910 4.122 -0.212 1 1 136 . 3 1 1 A 17 17 VAL C C 17 176.328 175.834 0.494 1 1 137 . 3 1 1 A 17 17 VAL CA C 17 63.807 63.492 0.315 1 1 138 . 3 1 1 A 17 17 VAL CB C 17 33.088 32.915 0.173 1 1 141 . 3 1 1 A 17 17 VAL N N 17 128.880 127.495 1.385 1 1 142 . 3 1 1 A 18 18 SER H H 18 7.740 7.246 0.494 1 1 143 . 3 1 1 A 18 18 SER HA H 18 4.589 4.834 -0.245 1 1 146 . 3 1 1 A 18 18 SER C C 18 171.965 172.284 -0.319 1 1 147 . 3 1 1 A 18 18 SER CA C 18 57.441 57.843 -0.402 1 1 148 . 3 1 1 A 18 18 SER CB C 18 64.058 67.396 -3.338 1 1 149 . 3 1 1 A 18 18 SER N N 18 110.447 113.463 -3.016 1 1 150 . 3 1 1 A 19 19 ALA H H 19 8.114 8.445 -0.331 1 1 151 . 3 1 1 A 19 19 ALA HA H 19 5.086 4.808 0.278 1 1 155 . 3 1 1 A 19 19 ALA C C 19 176.404 176.045 0.359 1 1 156 . 3 1 1 A 19 19 ALA CA C 19 52.453 51.570 0.883 1 1 157 . 3 1 1 A 19 19 ALA CB C 19 23.038 23.310 -0.272 1 1 158 . 3 1 1 A 19 19 ALA N N 19 121.116 123.018 -1.902 1 1 159 . 3 1 1 A 20 20 THR H H 20 8.710 8.674 0.036 1 1 160 . 3 1 1 A 20 20 THR HA H 20 4.787 4.989 -0.202 1 1 165 . 3 1 1 A 20 20 THR C C 20 175.596 175.210 0.386 1 1 166 . 3 1 1 A 20 20 THR CA C 20 60.341 59.794 0.547 1 1 167 . 3 1 1 A 20 20 THR CB C 20 71.307 72.222 -0.915 1 1 169 . 3 1 1 A 20 20 THR N N 20 110.762 109.923 0.839 1 1 170 . 3 1 1 A 21 21 MET H H 21 8.686 8.599 0.087 1 1 171 . 3 1 1 A 21 21 MET HA H 21 4.618 4.320 0.298 1 1 179 . 3 1 1 A 21 21 MET C C 21 174.754 176.597 -1.843 1 1 180 . 3 1 1 A 21 21 MET CA C 21 59.272 57.907 1.365 1 1 181 . 3 1 1 A 21 21 MET CB C 21 34.488 32.909 1.579 1 1 184 . 3 1 1 A 21 21 MET N N 21 118.478 120.205 -1.727 1 1 185 . 3 1 1 A 22 22 ARG H H 22 7.296 7.705 -0.409 1 1 186 . 3 1 1 A 22 22 ARG HA H 22 4.453 4.573 -0.120 1 1 193 . 3 1 1 A 22 22 ARG C C 22 174.722 174.728 -0.006 1 1 194 . 3 1 1 A 22 22 ARG CA C 22 54.218 55.215 -0.997 1 1 195 . 3 1 1 A 22 22 ARG CB C 22 32.509 31.030 1.479 1 1 198 . 3 1 1 A 22 22 ARG N N 22 108.176 116.897 -8.721 1 1 199 . 3 1 1 A 23 23 SER H H 23 7.387 7.481 -0.094 1 1 200 . 3 1 1 A 23 23 SER HA H 23 5.353 5.172 0.181 1 1 203 . 3 1 1 A 23 23 SER C C 23 171.910 172.441 -0.531 1 1 204 . 3 1 1 A 23 23 SER CA C 23 57.230 57.563 -0.333 1 1 205 . 3 1 1 A 23 23 SER CB C 23 68.011 67.087 0.924 1 1 206 . 3 1 1 A 23 23 SER N N 23 114.861 113.865 0.996 1 1 207 . 3 1 1 A 24 24 ILE H H 24 8.061 8.295 -0.234 1 1 208 . 3 1 1 A 24 24 ILE HA H 24 4.470 4.651 -0.181 1 1 218 . 3 1 1 A 24 24 ILE C C 24 174.028 174.617 -0.589 1 1 219 . 3 1 1 A 24 24 ILE CA C 24 61.402 60.053 1.349 1 1 220 . 3 1 1 A 24 24 ILE CB C 24 43.249 41.785 1.464 1 1 224 . 3 1 1 A 24 24 ILE N N 24 116.152 121.513 -5.361 1 1 225 . 3 1 1 A 25 25 THR H H 25 8.584 8.853 -0.269 1 1 226 . 3 1 1 A 25 25 THR HA H 25 5.107 4.897 0.210 1 1 231 . 3 1 1 A 25 25 THR C C 25 173.463 173.227 0.236 1 1 232 . 3 1 1 A 25 25 THR CA C 25 62.127 61.802 0.325 1 1 233 . 3 1 1 A 25 25 THR CB C 25 68.954 70.305 -1.351 1 1 235 . 3 1 1 A 25 25 THR N N 25 122.080 123.440 -1.360 1 1 236 . 3 1 1 A 26 26 LEU H H 26 9.093 8.902 0.191 1 1 237 . 3 1 1 A 26 26 LEU HA H 26 5.427 4.991 0.436 1 1 247 . 3 1 1 A 26 26 LEU C C 26 175.180 175.452 -0.272 1 1 248 . 3 1 1 A 26 26 LEU CA C 26 53.181 53.281 -0.100 1 1 249 . 3 1 1 A 26 26 LEU CB C 26 46.902 46.690 0.212 1 1 253 . 3 1 1 A 26 26 LEU N N 26 128.231 126.663 1.568 1 1 254 . 3 1 1 A 27 27 SER H H 27 9.260 8.850 0.410 1 1 255 . 3 1 1 A 27 27 SER HA H 27 4.757 4.755 0.002 1 1 258 . 3 1 1 A 27 27 SER C C 27 172.413 172.773 -0.360 1 1 259 . 3 1 1 A 27 27 SER CA C 27 56.912 57.419 -0.507 1 1 260 . 3 1 1 A 27 27 SER CB C 27 66.220 65.341 0.879 1 1 261 . 3 1 1 A 27 27 SER N N 27 115.325 114.188 1.137 1 1 262 . 3 1 1 A 28 28 TRP H H 28 7.430 7.994 -0.564 1 1 263 . 3 1 1 A 28 28 TRP HA H 28 5.212 5.623 -0.411 1 1 272 . 3 1 1 A 28 28 TRP C C 28 171.555 173.323 -1.768 1 1 273 . 3 1 1 A 28 28 TRP CA C 28 55.143 54.681 0.462 1 1 274 . 3 1 1 A 28 28 TRP CB C 28 28.918 32.239 -3.321 1 1 280 . 3 1 1 A 28 28 TRP N N 28 119.703 121.965 -2.262 1 1 282 . 3 1 1 A 29 29 PRO HA H 29 4.543 4.526 0.017 1 1 289 . 3 1 1 A 29 29 PRO C C 29 175.962 176.287 -0.325 1 1 290 . 3 1 1 A 29 29 PRO CA C 29 61.702 62.947 -1.245 1 1 291 . 3 1 1 A 29 29 PRO CB C 29 32.041 31.887 0.154 1 1 294 . 3 1 1 A 30 30 GLN H H 30 8.248 8.523 -0.275 1 1 295 . 3 1 1 A 30 30 GLN HA H 30 4.654 4.613 0.041 1 1 302 . 3 1 1 A 30 30 GLN C C 30 174.856 175.014 -0.158 1 1 303 . 3 1 1 A 30 30 GLN CA C 30 54.524 54.059 0.465 1 1 304 . 3 1 1 A 30 30 GLN CB C 30 28.623 29.388 -0.765 1 1 306 . 3 1 1 A 30 30 GLN N N 30 117.321 121.590 -4.269 1 1 308 . 3 1 1 A 31 31 PRO HA H 31 4.116 4.811 -0.695 1 1 315 . 3 1 1 A 31 31 PRO C C 31 175.787 176.113 -0.326 1 1 316 . 3 1 1 A 31 31 PRO CA C 31 63.364 63.044 0.320 1 1 317 . 3 1 1 A 31 31 PRO CB C 31 32.503 33.255 -0.752 1 1 320 . 3 1 1 A 32 32 GLU H H 32 8.367 8.362 0.005 1 1 321 . 3 1 1 A 32 32 GLU HA H 32 4.004 4.512 -0.508 1 1 326 . 3 1 1 A 32 32 GLU C C 32 176.748 176.864 -0.116 1 1 327 . 3 1 1 A 32 32 GLU CA C 32 58.644 56.235 2.409 1 1 328 . 3 1 1 A 32 32 GLU CB C 32 30.271 30.854 -0.583 1 1 330 . 3 1 1 A 32 32 GLU N N 32 122.959 117.041 5.918 1 1 331 . 3 1 1 A 33 33 GLN H H 33 8.220 7.739 0.481 1 1 332 . 3 1 1 A 33 33 GLN HA H 33 4.820 4.875 -0.055 1 1 339 . 3 1 1 A 33 33 GLN C C 33 172.938 174.293 -1.355 1 1 340 . 3 1 1 A 33 33 GLN CA C 33 52.544 53.496 -0.952 1 1 341 . 3 1 1 A 33 33 GLN CB C 33 29.077 29.169 -0.092 1 1 343 . 3 1 1 A 33 33 GLN N N 33 116.413 119.160 -2.747 1 1 345 . 3 1 1 A 34 34 PRO HA H 34 4.039 4.397 -0.358 1 1 352 . 3 1 1 A 34 34 PRO C C 34 175.293 176.541 -1.248 1 1 353 . 3 1 1 A 34 34 PRO CA C 34 64.248 63.647 0.601 1 1 354 . 3 1 1 A 34 34 PRO CB C 34 31.974 32.081 -0.107 1 1 357 . 3 1 1 A 35 35 ASN H H 35 8.478 8.109 0.369 1 1 358 . 3 1 1 A 35 35 ASN HA H 35 4.270 4.365 -0.095 1 1 363 . 3 1 1 A 35 35 ASN C C 35 173.982 174.531 -0.549 1 1 364 . 3 1 1 A 35 35 ASN CA C 35 53.655 54.536 -0.881 1 1 365 . 3 1 1 A 35 35 ASN CB C 35 37.151 37.158 -0.007 1 1 366 . 3 1 1 A 35 35 ASN N N 35 111.907 115.439 -3.532 1 1 368 . 3 1 1 A 36 36 GLY H H 36 7.537 8.161 -0.624 1 1 369 . 3 1 1 A 36 36 GLY HA2 H 36 4.247 4.090 0.157 1 1 370 . 3 1 1 A 36 36 GLY HA3 H 36 3.749 4.100 -0.351 1 1 371 . 3 1 1 A 36 36 GLY C C 36 172.062 172.332 -0.270 1 1 372 . 3 1 1 A 36 36 GLY CA C 36 44.147 45.013 -0.866 1 1 373 . 3 1 1 A 36 36 GLY N N 36 105.149 105.679 -0.530 1 1 374 . 3 1 1 A 37 37 ILE H H 37 8.107 8.236 -0.129 1 1 375 . 3 1 1 A 37 37 ILE HA H 37 4.017 4.700 -0.683 1 1 385 . 3 1 1 A 37 37 ILE C C 37 176.534 175.755 0.779 1 1 386 . 3 1 1 A 37 37 ILE CA C 37 60.331 60.252 0.079 1 1 387 . 3 1 1 A 37 37 ILE CB C 37 38.929 39.082 -0.153 1 1 391 . 3 1 1 A 37 37 ILE N N 37 120.104 122.184 -2.080 1 1 392 . 3 1 1 A 38 38 ILE H H 38 8.678 8.732 -0.054 1 1 393 . 3 1 1 A 38 38 ILE HA H 38 3.695 3.905 -0.210 1 1 403 . 3 1 1 A 38 38 ILE C C 38 176.027 175.228 0.799 1 1 404 . 3 1 1 A 38 38 ILE CA C 38 61.811 61.924 -0.113 1 1 405 . 3 1 1 A 38 38 ILE CB C 38 37.028 36.557 0.471 1 1 409 . 3 1 1 A 38 38 ILE N N 38 127.591 128.936 -1.345 1 1 410 . 3 1 1 A 39 39 LEU H H 39 9.054 8.527 0.527 1 1 411 . 3 1 1 A 39 39 LEU HA H 39 4.188 4.067 0.121 1 1 421 . 3 1 1 A 39 39 LEU C C 39 176.826 176.819 0.007 1 1 422 . 3 1 1 A 39 39 LEU CA C 39 56.416 57.281 -0.865 1 1 423 . 3 1 1 A 39 39 LEU CB C 39 42.664 42.354 0.310 1 1 427 . 3 1 1 A 39 39 LEU N N 39 130.577 129.907 0.670 1 1 428 . 3 1 1 A 40 40 ASP H H 40 7.502 7.599 -0.097 1 1 429 . 3 1 1 A 40 40 ASP HA H 40 4.392 5.097 -0.705 1 1 432 . 3 1 1 A 40 40 ASP C C 40 171.781 174.295 -2.514 1 1 433 . 3 1 1 A 40 40 ASP CA C 40 52.884 52.426 0.458 1 1 434 . 3 1 1 A 40 40 ASP CB C 40 41.985 45.999 -4.014 1 1 435 . 3 1 1 A 40 40 ASP N N 40 112.731 116.125 -3.394 1 1 436 . 3 1 1 A 41 41 TYR H H 41 8.974 8.707 0.267 1 1 437 . 3 1 1 A 41 41 TYR HA H 41 5.379 5.258 0.121 1 1 444 . 3 1 1 A 41 41 TYR C C 41 175.555 174.672 0.883 1 1 445 . 3 1 1 A 41 41 TYR CA C 41 56.574 56.928 -0.354 1 1 446 . 3 1 1 A 41 41 TYR CB C 41 42.213 41.417 0.796 1 1 449 . 3 1 1 A 41 41 TYR N N 41 111.324 117.687 -6.363 1 1 450 . 3 1 1 A 42 42 GLU H H 42 9.184 8.737 0.447 1 1 451 . 3 1 1 A 42 42 GLU HA H 42 5.066 4.959 0.107 1 1 456 . 3 1 1 A 42 42 GLU C C 42 174.368 175.319 -0.951 1 1 457 . 3 1 1 A 42 42 GLU CA C 42 55.126 56.074 -0.948 1 1 458 . 3 1 1 A 42 42 GLU CB C 42 33.471 31.141 2.330 1 1 460 . 3 1 1 A 42 42 GLU N N 42 120.875 124.841 -3.966 1 1 461 . 3 1 1 A 43 43 ILE H H 43 9.355 8.880 0.475 1 1 462 . 3 1 1 A 43 43 ILE HA H 43 4.853 5.208 -0.355 1 1 472 . 3 1 1 A 43 43 ILE C C 43 174.430 174.508 -0.078 1 1 473 . 3 1 1 A 43 43 ILE CA C 43 60.323 60.521 -0.198 1 1 474 . 3 1 1 A 43 43 ILE CB C 43 40.297 40.828 -0.531 1 1 478 . 3 1 1 A 43 43 ILE N N 43 126.045 126.456 -0.411 1 1 479 . 3 1 1 A 44 44 ARG H H 44 9.097 9.184 -0.087 1 1 480 . 3 1 1 A 44 44 ARG HA H 44 5.545 5.179 0.366 1 1 487 . 3 1 1 A 44 44 ARG C C 44 175.523 174.465 1.058 1 1 488 . 3 1 1 A 44 44 ARG CA C 44 54.386 54.413 -0.027 1 1 489 . 3 1 1 A 44 44 ARG CB C 44 34.638 32.734 1.904 1 1 492 . 3 1 1 A 44 44 ARG N N 44 127.831 129.509 -1.678 1 1 493 . 3 1 1 A 45 45 TYR H H 45 8.893 8.773 0.120 1 1 494 . 3 1 1 A 45 45 TYR HA H 45 6.272 6.042 0.230 1 1 501 . 3 1 1 A 45 45 TYR C C 45 173.560 172.954 0.606 1 1 502 . 3 1 1 A 45 45 TYR CA C 45 54.767 55.497 -0.730 1 1 503 . 3 1 1 A 45 45 TYR CB C 45 43.168 42.533 0.635 1 1 508 . 3 1 1 A 45 45 TYR N N 45 123.683 123.067 0.616 1 1 509 . 3 1 1 A 46 46 TYR H H 46 8.479 8.782 -0.303 1 1 510 . 3 1 1 A 46 46 TYR HA H 46 5.048 5.273 -0.225 1 1 517 . 3 1 1 A 46 46 TYR C C 46 173.870 174.416 -0.546 1 1 518 . 3 1 1 A 46 46 TYR CA C 46 55.485 55.533 -0.048 1 1 519 . 3 1 1 A 46 46 TYR CB C 46 39.975 41.320 -1.345 1 1 524 . 3 1 1 A 46 46 TYR N N 46 114.778 117.687 -2.909 1 1 525 . 3 1 1 A 47 47 GLU H H 47 9.111 8.747 0.364 1 1 526 . 3 1 1 A 47 47 GLU HA H 47 3.819 3.904 -0.085 1 1 531 . 3 1 1 A 47 47 GLU C C 47 177.764 177.787 -0.023 1 1 532 . 3 1 1 A 47 47 GLU CA C 47 57.123 56.982 0.141 1 1 533 . 3 1 1 A 47 47 GLU CB C 47 29.773 29.626 0.147 1 1 535 . 3 1 1 A 47 47 GLU N N 47 122.069 120.885 1.184 1 1 536 . 3 1 1 A 48 48 LYS H H 48 8.246 8.428 -0.182 1 1 537 . 3 1 1 A 48 48 LYS HA H 48 3.722 3.980 -0.258 1 1 546 . 3 1 1 A 48 48 LYS C C 48 176.588 177.679 -1.091 1 1 547 . 3 1 1 A 48 48 LYS CA C 48 59.774 59.035 0.739 1 1 548 . 3 1 1 A 48 48 LYS CB C 48 33.032 32.292 0.740 1 1 552 . 3 1 1 A 48 48 LYS N N 48 122.857 125.349 -2.492 1 1 553 . 3 1 1 A 49 49 GLU H H 49 8.192 7.536 0.656 1 1 554 . 3 1 1 A 49 49 GLU HA H 49 4.216 4.392 -0.176 1 1 559 . 3 1 1 A 49 49 GLU C C 49 176.987 176.954 0.033 1 1 560 . 3 1 1 A 49 49 GLU CA C 49 57.447 57.370 0.077 1 1 561 . 3 1 1 A 49 49 GLU CB C 49 28.987 30.884 -1.897 1 1 563 . 3 1 1 A 49 49 GLU N N 49 114.305 116.474 -2.169 1 1 564 . 3 1 1 A 50 50 HIS H H 50 8.329 8.061 0.268 1 1 565 . 3 1 1 A 50 50 HIS HA H 50 4.928 4.721 0.207 1 1 570 . 3 1 1 A 50 50 HIS C C 50 173.255 174.804 -1.549 1 1 571 . 3 1 1 A 50 50 HIS CA C 50 54.372 56.546 -2.174 1 1 572 . 3 1 1 A 50 50 HIS CB C 50 31.082 30.688 0.394 1 1 575 . 3 1 1 A 50 50 HIS N N 50 120.021 118.616 1.405 1 1 576 . 3 1 1 A 51 51 ASN H H 51 7.687 8.468 -0.781 1 1 577 . 3 1 1 A 51 51 ASN HA H 51 4.259 4.753 -0.494 1 1 582 . 3 1 1 A 51 51 ASN C C 51 174.779 175.292 -0.513 1 1 583 . 3 1 1 A 51 51 ASN CA C 51 52.561 50.639 1.922 1 1 584 . 3 1 1 A 51 51 ASN CB C 51 39.474 41.483 -2.009 1 1 585 . 3 1 1 A 51 51 ASN N N 51 114.158 120.010 -5.852 1 1 587 . 3 1 1 A 52 52 GLU H H 52 8.551 8.660 -0.109 1 1 588 . 3 1 1 A 52 52 GLU HA H 52 2.797 3.976 -1.179 1 1 593 . 3 1 1 A 52 52 GLU C C 52 177.117 178.838 -1.721 1 1 594 . 3 1 1 A 52 52 GLU CA C 52 58.155 59.133 -0.978 1 1 595 . 3 1 1 A 52 52 GLU CB C 52 28.912 28.974 -0.062 1 1 597 . 3 1 1 A 52 52 GLU N N 52 117.019 123.327 -6.308 1 1 598 . 3 1 1 A 53 53 PHE H H 53 7.855 7.973 -0.118 1 1 599 . 3 1 1 A 53 53 PHE HA H 53 4.371 4.104 0.267 1 1 607 . 3 1 1 A 53 53 PHE C C 53 175.783 177.627 -1.844 1 1 608 . 3 1 1 A 53 53 PHE CA C 53 58.785 61.435 -2.650 1 1 609 . 3 1 1 A 53 53 PHE CB C 53 37.747 39.544 -1.797 1 1 615 . 3 1 1 A 53 53 PHE N N 53 119.462 121.455 -1.993 1 1 616 . 3 1 1 A 54 54 ASN H H 54 7.744 7.887 -0.143 1 1 617 . 3 1 1 A 54 54 ASN HA H 54 4.948 4.564 0.384 1 1 622 . 3 1 1 A 54 54 ASN C C 54 173.922 174.272 -0.350 1 1 623 . 3 1 1 A 54 54 ASN CA C 54 52.102 51.721 0.381 1 1 624 . 3 1 1 A 54 54 ASN CB C 54 38.637 36.265 2.372 1 1 625 . 3 1 1 A 54 54 ASN N N 54 120.451 117.561 2.890 1 1 627 . 3 1 1 A 55 55 SER H H 55 7.469 7.693 -0.224 1 1 628 . 3 1 1 A 55 55 SER HA H 55 4.710 5.059 -0.349 1 1 631 . 3 1 1 A 55 55 SER C C 55 173.922 172.666 1.256 1 1 632 . 3 1 1 A 55 55 SER CA C 55 57.883 57.000 0.883 1 1 633 . 3 1 1 A 55 55 SER CB C 55 66.064 66.258 -0.194 1 1 634 . 3 1 1 A 55 55 SER N N 55 113.429 117.278 -3.849 1 1 635 . 3 1 1 A 56 56 SER H H 56 8.458 8.589 -0.131 1 1 636 . 3 1 1 A 56 56 SER HA H 56 4.632 5.121 -0.489 1 1 639 . 3 1 1 A 56 56 SER C C 56 171.119 173.124 -2.005 1 1 640 . 3 1 1 A 56 56 SER CA C 56 57.866 56.853 1.013 1 1 641 . 3 1 1 A 56 56 SER CB C 56 65.164 65.260 -0.096 1 1 642 . 3 1 1 A 56 56 SER N N 56 116.653 117.631 -0.978 1 1 643 . 3 1 1 A 57 57 MET H H 57 8.355 8.890 -0.535 1 1 644 . 3 1 1 A 57 57 MET HA H 57 5.776 5.805 -0.029 1 1 652 . 3 1 1 A 57 57 MET C C 57 175.771 175.218 0.553 1 1 653 . 3 1 1 A 57 57 MET CA C 57 53.913 53.549 0.364 1 1 654 . 3 1 1 A 57 57 MET CB C 57 36.115 35.991 0.124 1 1 657 . 3 1 1 A 57 57 MET N N 57 119.463 123.403 -3.940 1 1 658 . 3 1 1 A 58 58 ALA H H 58 9.547 8.695 0.852 1 1 659 . 3 1 1 A 58 58 ALA HA H 58 4.890 5.021 -0.131 1 1 663 . 3 1 1 A 58 58 ALA C C 58 175.328 176.003 -0.675 1 1 664 . 3 1 1 A 58 58 ALA CA C 58 50.829 51.766 -0.937 1 1 665 . 3 1 1 A 58 58 ALA CB C 58 22.649 22.807 -0.158 1 1 666 . 3 1 1 A 58 58 ALA N N 58 127.410 121.717 5.693 1 1 667 . 3 1 1 A 59 59 ARG H H 59 8.776 8.996 -0.220 1 1 668 . 3 1 1 A 59 59 ARG HA H 59 5.567 5.187 0.380 1 1 675 . 3 1 1 A 59 59 ARG C C 59 176.336 175.290 1.046 1 1 676 . 3 1 1 A 59 59 ARG CA C 59 54.843 55.374 -0.531 1 1 677 . 3 1 1 A 59 59 ARG CB C 59 33.691 32.628 1.063 1 1 680 . 3 1 1 A 59 59 ARG N N 59 119.945 123.709 -3.764 1 1 681 . 3 1 1 A 60 60 SER H H 60 8.919 8.764 0.155 1 1 682 . 3 1 1 A 60 60 SER HA H 60 5.011 5.296 -0.285 1 1 685 . 3 1 1 A 60 60 SER C C 60 174.614 174.038 0.576 1 1 686 . 3 1 1 A 60 60 SER CA C 60 56.752 56.817 -0.065 1 1 687 . 3 1 1 A 60 60 SER CB C 60 66.198 65.582 0.616 1 1 688 . 3 1 1 A 60 60 SER N N 60 115.274 116.492 -1.218 1 1 689 . 3 1 1 A 61 61 GLN H H 61 9.367 8.591 0.776 1 1 690 . 3 1 1 A 61 61 GLN HA H 61 4.556 4.474 0.082 1 1 697 . 3 1 1 A 61 61 GLN C C 61 175.391 175.398 -0.007 1 1 698 . 3 1 1 A 61 61 GLN CA C 61 57.664 57.072 0.592 1 1 699 . 3 1 1 A 61 61 GLN CB C 61 29.763 29.293 0.470 1 1 701 . 3 1 1 A 61 61 GLN N N 61 124.808 124.015 0.793 1 1 703 . 3 1 1 A 62 62 THR H H 62 8.075 7.612 0.463 1 1 704 . 3 1 1 A 62 62 THR HA H 62 4.918 4.736 0.182 1 1 709 . 3 1 1 A 62 62 THR C C 62 173.106 173.142 -0.036 1 1 710 . 3 1 1 A 62 62 THR CA C 62 59.369 59.363 0.006 1 1 711 . 3 1 1 A 62 62 THR CB C 62 70.607 71.383 -0.776 1 1 713 . 3 1 1 A 62 62 THR N N 62 110.260 113.390 -3.130 1 1 714 . 3 1 1 A 63 63 ASN H H 63 8.575 8.410 0.165 1 1 715 . 3 1 1 A 63 63 ASN HA H 63 3.457 3.948 -0.491 1 1 720 . 3 1 1 A 63 63 ASN C C 63 172.343 173.532 -1.189 1 1 721 . 3 1 1 A 63 63 ASN CA C 63 53.270 52.564 0.706 1 1 722 . 3 1 1 A 63 63 ASN CB C 63 34.441 38.455 -4.014 1 1 723 . 3 1 1 A 63 63 ASN N N 63 119.090 121.004 -1.914 1 1 725 . 3 1 1 A 64 64 THR H H 64 6.850 7.190 -0.340 1 1 726 . 3 1 1 A 64 64 THR HA H 64 4.296 3.950 0.346 1 1 731 . 3 1 1 A 64 64 THR C C 64 172.238 171.972 0.266 1 1 732 . 3 1 1 A 64 64 THR CA C 64 60.501 60.576 -0.075 1 1 733 . 3 1 1 A 64 64 THR CB C 64 71.252 71.211 0.041 1 1 735 . 3 1 1 A 64 64 THR N N 64 111.612 113.713 -2.101 1 1 736 . 3 1 1 A 65 65 ALA H H 65 8.619 8.906 -0.287 1 1 737 . 3 1 1 A 65 65 ALA HA H 65 4.595 5.082 -0.487 1 1 741 . 3 1 1 A 65 65 ALA C C 65 174.046 175.025 -0.979 1 1 742 . 3 1 1 A 65 65 ALA CA C 65 52.102 51.315 0.787 1 1 743 . 3 1 1 A 65 65 ALA CB C 65 22.427 22.826 -0.399 1 1 744 . 3 1 1 A 65 65 ALA N N 65 124.370 130.265 -5.895 1 1 745 . 3 1 1 A 66 66 ARG H H 66 8.533 8.782 -0.249 1 1 746 . 3 1 1 A 66 66 ARG HA H 66 4.973 5.092 -0.119 1 1 753 . 3 1 1 A 66 66 ARG C C 66 175.240 175.135 0.105 1 1 754 . 3 1 1 A 66 66 ARG CA C 66 54.560 54.973 -0.413 1 1 755 . 3 1 1 A 66 66 ARG CB C 66 32.088 31.942 0.146 1 1 758 . 3 1 1 A 66 66 ARG N N 66 122.633 123.461 -0.828 1 1 759 . 3 1 1 A 67 67 ILE H H 67 8.967 8.756 0.211 1 1 760 . 3 1 1 A 67 67 ILE HA H 67 4.013 4.474 -0.461 1 1 770 . 3 1 1 A 67 67 ILE C C 67 174.026 175.112 -1.086 1 1 771 . 3 1 1 A 67 67 ILE CA C 67 60.377 59.817 0.560 1 1 772 . 3 1 1 A 67 67 ILE CB C 67 38.044 37.971 0.073 1 1 776 . 3 1 1 A 67 67 ILE N N 67 128.560 127.248 1.312 1 1 777 . 3 1 1 A 68 68 ASP H H 68 8.117 8.672 -0.555 1 1 778 . 3 1 1 A 68 68 ASP HA H 68 5.060 5.502 -0.442 1 1 781 . 3 1 1 A 68 68 ASP C C 68 175.792 176.268 -0.476 1 1 782 . 3 1 1 A 68 68 ASP CA C 68 52.474 52.214 0.260 1 1 783 . 3 1 1 A 68 68 ASP CB C 68 44.116 43.921 0.195 1 1 784 . 3 1 1 A 68 68 ASP N N 68 125.243 125.726 -0.483 1 1 785 . 3 1 1 A 69 69 GLY H H 69 8.568 8.714 -0.146 1 1 786 . 3 1 1 A 69 69 GLY HA2 H 69 3.951 3.951 0.000 1 1 787 . 3 1 1 A 69 69 GLY HA3 H 69 3.830 3.960 -0.130 1 1 788 . 3 1 1 A 69 69 GLY C C 69 175.359 173.991 1.368 1 1 789 . 3 1 1 A 69 69 GLY CA C 69 46.356 45.976 0.380 1 1 790 . 3 1 1 A 69 69 GLY N N 69 105.736 111.246 -5.510 1 1 791 . 3 1 1 A 70 70 LEU H H 70 7.982 7.480 0.502 1 1 792 . 3 1 1 A 70 70 LEU HA H 70 4.356 4.789 -0.433 1 1 802 . 3 1 1 A 70 70 LEU C C 70 175.151 175.587 -0.436 1 1 803 . 3 1 1 A 70 70 LEU CA C 70 53.110 53.012 0.098 1 1 804 . 3 1 1 A 70 70 LEU CB C 70 40.992 44.849 -3.857 1 1 808 . 3 1 1 A 70 70 LEU N N 70 118.817 119.991 -1.174 1 1 809 . 3 1 1 A 71 71 ARG H H 71 8.148 8.315 -0.167 1 1 810 . 3 1 1 A 71 71 ARG HA H 71 4.922 4.807 0.115 1 1 817 . 3 1 1 A 71 71 ARG C C 71 174.419 174.092 0.327 1 1 818 . 3 1 1 A 71 71 ARG CA C 71 53.534 53.491 0.043 1 1 819 . 3 1 1 A 71 71 ARG CB C 71 32.001 30.261 1.740 1 1 822 . 3 1 1 A 71 71 ARG N N 71 118.182 120.941 -2.759 1 1 823 . 3 1 1 A 72 72 PRO HA H 72 5.168 4.546 0.622 1 1 830 . 3 1 1 A 72 72 PRO C C 72 178.121 177.692 0.429 1 1 831 . 3 1 1 A 72 72 PRO CA C 72 63.416 63.574 -0.158 1 1 832 . 3 1 1 A 72 72 PRO CB C 72 32.908 31.387 1.521 1 1 835 . 3 1 1 A 73 73 GLY H H 73 7.705 8.955 -1.250 1 1 836 . 3 1 1 A 73 73 GLY HA2 H 73 3.856 3.958 -0.102 1 1 837 . 3 1 1 A 73 73 GLY HA3 H 73 3.508 3.966 -0.458 1 1 838 . 3 1 1 A 73 73 GLY C C 73 173.685 174.037 -0.352 1 1 839 . 3 1 1 A 73 73 GLY CA C 73 46.731 46.522 0.209 1 1 840 . 3 1 1 A 73 73 GLY N N 73 112.669 112.113 0.556 1 1 841 . 3 1 1 A 74 74 MET H H 74 7.511 7.380 0.131 1 1 842 . 3 1 1 A 74 74 MET HA H 74 4.742 4.855 -0.113 1 1 850 . 3 1 1 A 74 74 MET C C 74 173.525 174.729 -1.204 1 1 851 . 3 1 1 A 74 74 MET CA C 74 53.216 54.277 -1.061 1 1 852 . 3 1 1 A 74 74 MET CB C 74 33.610 36.525 -2.915 1 1 855 . 3 1 1 A 74 74 MET N N 74 119.820 118.555 1.265 1 1 856 . 3 1 1 A 75 75 VAL H H 75 7.651 8.636 -0.985 1 1 857 . 3 1 1 A 75 75 VAL HA H 75 4.361 4.572 -0.211 1 1 865 . 3 1 1 A 75 75 VAL C C 75 174.677 175.092 -0.415 1 1 866 . 3 1 1 A 75 75 VAL CA C 75 61.581 61.625 -0.044 1 1 867 . 3 1 1 A 75 75 VAL CB C 75 32.345 32.179 0.166 1 1 870 . 3 1 1 A 75 75 VAL N N 75 121.287 123.267 -1.980 1 1 871 . 3 1 1 A 76 76 TYR H H 76 9.405 9.031 0.374 1 1 872 . 3 1 1 A 76 76 TYR HA H 76 4.743 5.011 -0.268 1 1 879 . 3 1 1 A 76 76 TYR C C 76 174.740 175.338 -0.598 1 1 880 . 3 1 1 A 76 76 TYR CA C 76 57.424 56.392 1.032 1 1 881 . 3 1 1 A 76 76 TYR CB C 76 41.151 40.673 0.478 1 1 886 . 3 1 1 A 76 76 TYR N N 76 126.231 126.589 -0.358 1 1 887 . 3 1 1 A 77 77 VAL H H 77 8.867 8.203 0.664 1 1 888 . 3 1 1 A 77 77 VAL HA H 77 4.318 4.411 -0.093 1 1 896 . 3 1 1 A 77 77 VAL C C 77 175.773 175.514 0.259 1 1 897 . 3 1 1 A 77 77 VAL CA C 77 61.473 62.954 -1.481 1 1 898 . 3 1 1 A 77 77 VAL CB C 77 31.218 30.361 0.857 1 1 901 . 3 1 1 A 77 77 VAL N N 77 123.699 124.685 -0.986 1 1 902 . 3 1 1 A 78 78 VAL H H 78 8.683 8.518 0.165 1 1 903 . 3 1 1 A 78 78 VAL HA H 78 4.995 4.685 0.310 1 1 911 . 3 1 1 A 78 78 VAL C C 78 175.275 175.393 -0.118 1 1 912 . 3 1 1 A 78 78 VAL CA C 78 60.942 61.619 -0.677 1 1 913 . 3 1 1 A 78 78 VAL CB C 78 34.790 32.817 1.973 1 1 916 . 3 1 1 A 78 78 VAL N N 78 124.155 128.599 -4.444 1 1 917 . 3 1 1 A 79 79 GLN H H 79 8.613 8.408 0.205 1 1 918 . 3 1 1 A 79 79 GLN HA H 79 4.511 5.001 -0.490 1 1 925 . 3 1 1 A 79 79 GLN C C 79 173.361 174.153 -0.792 1 1 926 . 3 1 1 A 79 79 GLN CA C 79 54.666 54.166 0.500 1 1 927 . 3 1 1 A 79 79 GLN CB C 79 36.751 33.131 3.620 1 1 929 . 3 1 1 A 79 79 GLN N N 79 121.693 125.472 -3.779 1 1 931 . 3 1 1 A 80 80 VAL H H 80 9.019 8.318 0.701 1 1 932 . 3 1 1 A 80 80 VAL HA H 80 5.801 5.038 0.763 1 1 940 . 3 1 1 A 80 80 VAL C C 80 174.526 173.705 0.821 1 1 941 . 3 1 1 A 80 80 VAL CA C 80 58.750 59.506 -0.756 1 1 942 . 3 1 1 A 80 80 VAL CB C 80 35.479 34.858 0.621 1 1 945 . 3 1 1 A 80 80 VAL N N 80 118.559 119.899 -1.340 1 1 946 . 3 1 1 A 81 81 ARG H H 81 9.199 8.796 0.403 1 1 947 . 3 1 1 A 81 81 ARG HA H 81 4.951 4.969 -0.018 1 1 955 . 3 1 1 A 81 81 ARG C C 81 172.660 174.066 -1.406 1 1 956 . 3 1 1 A 81 81 ARG CA C 81 54.295 53.753 0.542 1 1 957 . 3 1 1 A 81 81 ARG CB C 81 33.750 33.544 0.206 1 1 960 . 3 1 1 A 81 81 ARG N N 81 125.225 126.072 -0.847 1 1 962 . 3 1 1 A 82 82 ALA H H 82 8.762 8.733 0.029 1 1 963 . 3 1 1 A 82 82 ALA HA H 82 4.820 5.335 -0.515 1 1 967 . 3 1 1 A 82 82 ALA C C 82 174.783 175.451 -0.668 1 1 968 . 3 1 1 A 82 82 ALA CA C 82 50.741 49.960 0.781 1 1 969 . 3 1 1 A 82 82 ALA CB C 82 22.383 22.272 0.111 1 1 970 . 3 1 1 A 82 82 ALA N N 82 124.292 122.630 1.662 1 1 971 . 3 1 1 A 83 83 ARG H H 83 8.336 8.257 0.079 1 1 972 . 3 1 1 A 83 83 ARG HA H 83 4.737 5.005 -0.268 1 1 980 . 3 1 1 A 83 83 ARG C C 83 175.290 174.486 0.804 1 1 981 . 3 1 1 A 83 83 ARG CA C 83 55.727 54.078 1.649 1 1 982 . 3 1 1 A 83 83 ARG CB C 83 34.562 33.497 1.065 1 1 985 . 3 1 1 A 83 83 ARG N N 83 121.023 122.727 -1.704 1 1 987 . 3 1 1 A 84 84 THR H H 84 8.485 8.610 -0.125 1 1 988 . 3 1 1 A 84 84 THR HA H 84 4.875 4.912 -0.037 1 1 993 . 3 1 1 A 84 84 THR C C 84 176.218 175.317 0.901 1 1 994 . 3 1 1 A 84 84 THR CA C 84 59.475 59.266 0.209 1 1 995 . 3 1 1 A 84 84 THR CB C 84 72.440 72.333 0.107 1 1 997 . 3 1 1 A 84 84 THR N N 84 116.374 117.701 -1.327 1 1 998 . 3 1 1 A 85 85 VAL H H 85 9.283 8.817 0.466 1 1 999 . 3 1 1 A 85 85 VAL HA H 85 3.794 3.820 -0.026 1 1 1007 . 3 1 1 A 85 85 VAL C C 85 175.930 177.205 -1.275 1 1 1008 . 3 1 1 A 85 85 VAL CA C 85 64.934 64.999 -0.065 1 1 1009 . 3 1 1 A 85 85 VAL CB C 85 31.621 31.751 -0.130 1 1 1012 . 3 1 1 A 85 85 VAL N N 85 119.099 122.327 -3.228 1 1 1013 . 3 1 1 A 86 86 ALA H H 86 7.840 7.769 0.071 1 1 1014 . 3 1 1 A 86 86 ALA HA H 86 4.242 4.122 0.120 1 1 1018 . 3 1 1 A 86 86 ALA C C 86 177.467 177.547 -0.080 1 1 1019 . 3 1 1 A 86 86 ALA CA C 86 52.774 54.455 -1.681 1 1 1020 . 3 1 1 A 86 86 ALA CB C 86 19.733 19.943 -0.210 1 1 1021 . 3 1 1 A 86 86 ALA N N 86 121.263 122.732 -1.469 1 1 1022 . 3 1 1 A 87 87 GLY H H 87 7.365 6.971 0.394 1 1 1023 . 3 1 1 A 87 87 GLY HA2 H 87 4.402 4.047 0.355 1 1 1024 . 3 1 1 A 87 87 GLY HA3 H 87 3.588 4.082 -0.494 1 1 1025 . 3 1 1 A 87 87 GLY C C 87 171.960 171.150 0.810 1 1 1026 . 3 1 1 A 87 87 GLY CA C 87 44.170 46.094 -1.924 1 1 1027 . 3 1 1 A 87 87 GLY N N 87 105.736 102.117 3.619 1 1 1028 . 3 1 1 A 88 88 TYR H H 88 8.444 8.579 -0.135 1 1 1029 . 3 1 1 A 88 88 TYR HA H 88 5.063 4.821 0.242 1 1 1036 . 3 1 1 A 88 88 TYR C C 88 179.239 175.457 3.782 1 1 1037 . 3 1 1 A 88 88 TYR CA C 88 58.308 56.394 1.914 1 1 1038 . 3 1 1 A 88 88 TYR CB C 88 41.442 40.348 1.094 1 1 1043 . 3 1 1 A 88 88 TYR N N 88 116.996 120.052 -3.056 1 1 1044 . 3 1 1 A 89 89 GLY H H 89 8.676 8.315 0.361 1 1 1045 . 3 1 1 A 89 89 GLY HA2 H 89 4.324 4.193 0.131 1 1 1046 . 3 1 1 A 89 89 GLY HA3 H 89 3.973 4.217 -0.244 1 1 1047 . 3 1 1 A 89 89 GLY C C 89 173.844 173.386 0.458 1 1 1048 . 3 1 1 A 89 89 GLY CA C 89 43.916 44.147 -0.231 1 1 1049 . 3 1 1 A 89 89 GLY N N 89 107.850 110.375 -2.525 1 1 1050 . 3 1 1 A 90 90 LYS H H 90 8.711 8.230 0.481 1 1 1051 . 3 1 1 A 90 90 LYS HA H 90 4.166 4.109 0.057 1 1 1060 . 3 1 1 A 90 90 LYS C C 90 177.819 175.850 1.969 1 1 1061 . 3 1 1 A 90 90 LYS CA C 90 56.162 56.307 -0.145 1 1 1062 . 3 1 1 A 90 90 LYS CB C 90 32.730 32.615 0.115 1 1 1066 . 3 1 1 A 90 90 LYS N N 90 119.382 118.903 0.479 1 1 1067 . 3 1 1 A 91 91 PHE H H 91 8.698 8.891 -0.193 1 1 1068 . 3 1 1 A 91 91 PHE HA H 91 4.241 4.764 -0.523 1 1 1076 . 3 1 1 A 91 91 PHE C C 91 176.805 175.852 0.953 1 1 1077 . 3 1 1 A 91 91 PHE CA C 91 61.027 57.819 3.208 1 1 1078 . 3 1 1 A 91 91 PHE CB C 91 39.995 40.161 -0.166 1 1 1084 . 3 1 1 A 91 91 PHE N N 91 120.691 120.941 -0.250 1 1 1085 . 3 1 1 A 92 92 SER H H 92 8.311 8.882 -0.571 1 1 1086 . 3 1 1 A 92 92 SER HA H 92 4.259 4.530 -0.271 1 1 1089 . 3 1 1 A 92 92 SER C C 92 173.499 174.761 -1.262 1 1 1090 . 3 1 1 A 92 92 SER CA C 92 58.146 57.833 0.313 1 1 1091 . 3 1 1 A 92 92 SER CB C 92 65.329 64.048 1.281 1 1 1092 . 3 1 1 A 92 92 SER N N 92 115.098 117.033 -1.935 1 1 1093 . 3 1 1 A 93 93 GLY H H 93 8.869 8.559 0.310 1 1 1094 . 3 1 1 A 93 93 GLY HA2 H 93 4.071 3.974 0.097 1 1 1095 . 3 1 1 A 93 93 GLY HA3 H 93 3.780 3.987 -0.207 1 1 1096 . 3 1 1 A 93 93 GLY C C 93 174.375 174.111 0.264 1 1 1097 . 3 1 1 A 93 93 GLY CA C 93 45.331 45.755 -0.424 1 1 1098 . 3 1 1 A 93 93 GLY N N 93 106.252 108.144 -1.892 1 1 1099 . 3 1 1 A 94 94 LYS H H 94 8.619 8.355 0.264 1 1 1100 . 3 1 1 A 94 94 LYS HA H 94 3.633 4.099 -0.466 1 1 1109 . 3 1 1 A 94 94 LYS C C 94 176.004 176.289 -0.285 1 1 1110 . 3 1 1 A 94 94 LYS CA C 94 59.068 57.309 1.759 1 1 1111 . 3 1 1 A 94 94 LYS CB C 94 33.072 33.229 -0.157 1 1 1115 . 3 1 1 A 94 94 LYS N N 94 122.645 122.297 0.348 1 1 1116 . 3 1 1 A 95 95 MET H H 95 7.547 8.583 -1.036 1 1 1117 . 3 1 1 A 95 95 MET HA H 95 4.520 4.950 -0.430 1 1 1125 . 3 1 1 A 95 95 MET C C 95 173.400 173.957 -0.557 1 1 1126 . 3 1 1 A 95 95 MET CA C 95 54.701 53.975 0.726 1 1 1127 . 3 1 1 A 95 95 MET CB C 95 37.784 35.964 1.820 1 1 1130 . 3 1 1 A 95 95 MET N N 95 122.392 120.390 2.002 1 1 1131 . 3 1 1 A 96 96 CYS H H 96 7.888 8.500 -0.612 1 1 1132 . 3 1 1 A 96 96 CYS HA H 96 5.465 5.070 0.395 1 1 1135 . 3 1 1 A 96 96 CYS C C 96 173.757 172.951 0.806 1 1 1136 . 3 1 1 A 96 96 CYS CA C 96 57.353 57.577 -0.224 1 1 1137 . 3 1 1 A 96 96 CYS CB C 96 29.941 29.414 0.527 1 1 1138 . 3 1 1 A 96 96 CYS N N 96 117.124 120.133 -3.009 1 1 1139 . 3 1 1 A 97 97 PHE H H 97 9.133 8.572 0.561 1 1 1140 . 3 1 1 A 97 97 PHE HA H 97 4.879 5.105 -0.226 1 1 1148 . 3 1 1 A 97 97 PHE C C 97 173.309 175.238 -1.929 1 1 1149 . 3 1 1 A 97 97 PHE CA C 97 56.983 56.506 0.477 1 1 1150 . 3 1 1 A 97 97 PHE CB C 97 44.074 41.455 2.619 1 1 1156 . 3 1 1 A 97 97 PHE N N 97 121.239 123.963 -2.724 1 1 1157 . 3 1 1 A 98 98 GLN H H 98 8.884 8.674 0.210 1 1 1158 . 3 1 1 A 98 98 GLN HA H 98 5.809 5.285 0.524 1 1 1165 . 3 1 1 A 98 98 GLN C C 98 176.454 175.901 0.553 1 1 1166 . 3 1 1 A 98 98 GLN CA C 98 54.125 54.718 -0.593 1 1 1167 . 3 1 1 A 98 98 GLN CB C 98 33.444 30.570 2.874 1 1 1169 . 3 1 1 A 98 98 GLN N N 98 120.699 121.709 -1.010 1 1 1171 . 3 1 1 A 99 99 THR H H 99 8.176 8.164 0.012 1 1 1172 . 3 1 1 A 99 99 THR HA H 99 4.324 4.631 -0.307 1 1 1177 . 3 1 1 A 99 99 THR C C 99 175.929 174.189 1.740 1 1 1178 . 3 1 1 A 99 99 THR CA C 99 60.341 61.247 -0.906 1 1 1179 . 3 1 1 A 99 99 THR CB C 99 70.070 71.520 -1.450 1 1 1181 . 3 1 1 A 99 99 THR N N 99 112.214 112.726 -0.512 1 1 1182 . 3 1 1 A 100 100 LEU H H 100 7.368 8.496 -1.128 1 1 1183 . 3 1 1 A 100 100 LEU HA H 100 4.310 4.395 -0.085 1 1 1193 . 3 1 1 A 100 100 LEU C C 100 177.359 176.399 0.960 1 1 1194 . 3 1 1 A 100 100 LEU CA C 100 54.790 55.245 -0.455 1 1 1195 . 3 1 1 A 100 100 LEU CB C 100 42.096 41.396 0.700 1 1 1199 . 3 1 1 A 100 100 LEU N N 100 117.018 122.280 -5.262 1 1 1200 . 3 1 1 A 101 101 THR H H 101 7.997 8.576 -0.579 1 1 1201 . 3 1 1 A 101 101 THR HA H 101 4.123 4.864 -0.741 1 1 1206 . 3 1 1 A 101 101 THR C C 101 174.014 172.571 1.443 1 1 1207 . 3 1 1 A 101 101 THR CA C 101 61.968 60.929 1.039 1 1 1208 . 3 1 1 A 101 101 THR CB C 101 70.172 69.053 1.119 1 1 1210 . 3 1 1 A 101 101 THR N N 101 110.428 116.896 -6.468 1 1 1211 . 3 1 1 A 102 102 ASP H H 102 8.320 9.051 -0.731 1 1 1212 . 3 1 1 A 102 102 ASP HA H 102 4.853 4.710 0.143 1 1 1215 . 3 1 1 A 102 102 ASP C C 102 176.204 174.655 1.549 1 1 1216 . 3 1 1 A 102 102 ASP CA C 102 53.694 53.383 0.311 1 1 1217 . 3 1 1 A 102 102 ASP CB C 102 41.808 39.825 1.983 1 1 1218 . 3 1 1 A 102 102 ASP N N 102 120.693 128.873 -8.180 1 1 1219 . 3 1 1 A 103 103 SER H H 103 8.294 8.280 0.014 1 1 1220 . 3 1 1 A 103 103 SER HA H 103 4.486 4.996 -0.510 1 1 1223 . 3 1 1 A 103 103 SER C C 103 174.875 174.731 0.144 1 1 1224 . 3 1 1 A 103 103 SER CA C 103 58.361 57.435 0.926 1 1 1225 . 3 1 1 A 103 103 SER CB C 103 63.942 65.457 -1.515 1 1 1226 . 3 1 1 A 103 103 SER N N 103 117.442 121.261 -3.819 1 1 1227 . 3 1 1 A 104 104 GLY H H 104 8.393 8.716 -0.323 1 1 1228 . 3 1 1 A 104 104 GLY HA2 H 104 4.104 3.876 0.228 1 1 1229 . 3 1 1 A 104 104 GLY HA3 H 104 4.104 3.876 0.228 1 1 1230 . 3 1 1 A 104 104 GLY C C 104 172.016 174.585 -2.569 1 1 1231 . 3 1 1 A 104 104 GLY CA C 104 44.800 47.989 -3.189 1 1 1232 . 3 1 1 A 104 104 GLY N N 104 111.065 112.532 -1.467 1 1 1233 . 3 1 1 A 105 105 PRO HA H 105 4.475 4.662 -0.187 1 1 1240 . 3 1 1 A 105 105 PRO C C 105 177.464 175.299 2.165 1 1 1241 . 3 1 1 A 105 105 PRO CA C 105 63.329 62.913 0.416 1 1 1242 . 3 1 1 A 105 105 PRO CB C 105 32.249 31.607 0.642 1 1 1245 . 3 1 1 A 106 106 SER H H 106 8.514 8.959 -0.445 1 1 1246 . 3 1 1 A 106 106 SER HA H 106 4.512 4.941 -0.429 1 1 1249 . 3 1 1 A 106 106 SER C C 106 174.735 172.700 2.035 1 1 1250 . 3 1 1 A 106 106 SER CA C 106 58.361 57.413 0.948 1 1 1251 . 3 1 1 A 106 106 SER CB C 106 63.820 65.592 -1.772 1 1 1252 . 3 1 1 A 106 106 SER N N 106 116.429 118.614 -2.185 1 1 1253 . 3 1 1 A 107 107 SER H H 107 8.329 8.683 -0.354 1 1 1254 . 3 1 1 A 107 107 SER HA H 107 4.512 5.287 -0.775 1 1 1257 . 3 1 1 A 107 107 SER C C 107 174.004 174.814 -0.810 1 1 1258 . 3 1 1 A 107 107 SER CA C 107 58.414 56.574 1.840 1 1 1259 . 3 1 1 A 107 107 SER CB C 107 64.014 66.298 -2.284 1 1 1260 . 3 1 1 A 107 107 SER N N 107 117.919 117.760 0.159 1 1 1 . 4 1 1 A 6 6 SER HA H 6 4.523 5.093 -0.570 1 1 3 . 4 1 1 A 6 6 SER CA C 6 58.535 56.785 1.750 1 1 4 . 4 1 1 A 6 6 SER CB C 6 64.106 64.362 -0.256 1 1 5 . 4 1 1 A 7 7 GLY H H 7 8.202 8.714 -0.512 1 1 6 . 4 1 1 A 7 7 GLY HA2 H 7 3.881 4.016 -0.135 1 1 7 . 4 1 1 A 7 7 GLY HA3 H 7 3.740 4.017 -0.277 1 1 8 . 4 1 1 A 7 7 GLY CA C 7 44.322 44.315 0.007 1 1 9 . 4 1 1 A 7 7 GLY N N 7 109.573 109.452 0.121 1 1 10 . 4 1 1 A 8 8 PRO HA H 8 4.641 4.477 0.164 1 1 17 . 4 1 1 A 8 8 PRO C C 8 176.480 176.723 -0.243 1 1 18 . 4 1 1 A 8 8 PRO CA C 8 62.582 62.818 -0.236 1 1 19 . 4 1 1 A 8 8 PRO CB C 8 32.331 31.918 0.413 1 1 22 . 4 1 1 A 9 9 SER H H 9 8.061 8.614 -0.553 1 1 23 . 4 1 1 A 9 9 SER HA H 9 4.374 4.481 -0.107 1 1 26 . 4 1 1 A 9 9 SER C C 9 173.090 173.585 -0.495 1 1 27 . 4 1 1 A 9 9 SER CA C 9 58.754 58.801 -0.047 1 1 28 . 4 1 1 A 9 9 SER CB C 9 63.667 64.077 -0.410 1 1 29 . 4 1 1 A 9 9 SER N N 9 115.137 117.852 -2.715 1 1 30 . 4 1 1 A 10 10 THR H H 10 8.359 8.381 -0.022 1 1 31 . 4 1 1 A 10 10 THR HA H 10 4.027 4.792 -0.765 1 1 36 . 4 1 1 A 10 10 THR C C 10 175.380 173.199 2.181 1 1 37 . 4 1 1 A 10 10 THR CA C 10 62.781 59.702 3.079 1 1 38 . 4 1 1 A 10 10 THR CB C 10 69.617 70.990 -1.373 1 1 40 . 4 1 1 A 10 10 THR N N 10 115.079 118.055 -2.976 1 1 41 . 4 1 1 A 11 11 VAL H H 11 9.280 8.698 0.582 1 1 42 . 4 1 1 A 11 11 VAL HA H 11 4.097 4.493 -0.396 1 1 50 . 4 1 1 A 11 11 VAL C C 11 175.706 176.211 -0.505 1 1 51 . 4 1 1 A 11 11 VAL CA C 11 61.518 59.497 2.021 1 1 52 . 4 1 1 A 11 11 VAL CB C 11 33.174 31.924 1.250 1 1 55 . 4 1 1 A 11 11 VAL N N 11 131.182 123.251 7.931 1 1 56 . 4 1 1 A 12 12 PRO HA H 12 4.415 4.505 -0.090 1 1 63 . 4 1 1 A 12 12 PRO C C 12 175.612 176.417 -0.805 1 1 64 . 4 1 1 A 12 12 PRO CA C 12 64.850 64.894 -0.044 1 1 65 . 4 1 1 A 12 12 PRO CB C 12 32.578 32.239 0.339 1 1 68 . 4 1 1 A 13 13 ILE H H 13 7.251 7.635 -0.384 1 1 69 . 4 1 1 A 13 13 ILE HA H 13 4.439 4.669 -0.230 1 1 79 . 4 1 1 A 13 13 ILE C C 13 170.969 173.333 -2.364 1 1 80 . 4 1 1 A 13 13 ILE CA C 13 59.973 59.436 0.537 1 1 81 . 4 1 1 A 13 13 ILE CB C 13 40.776 41.833 -1.057 1 1 85 . 4 1 1 A 13 13 ILE N N 13 115.827 116.040 -0.213 1 1 86 . 4 1 1 A 14 14 MET H H 14 6.827 8.628 -1.801 1 1 87 . 4 1 1 A 14 14 MET HA H 14 4.961 5.321 -0.360 1 1 95 . 4 1 1 A 14 14 MET C C 14 173.380 175.324 -1.944 1 1 96 . 4 1 1 A 14 14 MET CA C 14 55.214 53.917 1.297 1 1 97 . 4 1 1 A 14 14 MET CB C 14 38.223 34.684 3.539 1 1 100 . 4 1 1 A 14 14 MET N N 14 116.754 126.211 -9.457 1 1 101 . 4 1 1 A 15 15 HIS H H 15 9.417 9.480 -0.063 1 1 102 . 4 1 1 A 15 15 HIS HA H 15 4.958 5.220 -0.262 1 1 107 . 4 1 1 A 15 15 HIS C C 15 173.901 173.803 0.098 1 1 108 . 4 1 1 A 15 15 HIS CA C 15 55.190 53.901 1.289 1 1 109 . 4 1 1 A 15 15 HIS CB C 15 33.361 33.743 -0.382 1 1 112 . 4 1 1 A 15 15 HIS N N 15 118.539 118.670 -0.131 1 1 113 . 4 1 1 A 16 16 GLN H H 16 9.164 8.897 0.267 1 1 114 . 4 1 1 A 16 16 GLN HA H 16 4.385 4.649 -0.264 1 1 121 . 4 1 1 A 16 16 GLN C C 16 175.463 174.800 0.663 1 1 122 . 4 1 1 A 16 16 GLN CA C 16 55.992 54.697 1.295 1 1 123 . 4 1 1 A 16 16 GLN CB C 16 29.159 30.873 -1.714 1 1 125 . 4 1 1 A 16 16 GLN N N 16 123.267 123.710 -0.443 1 1 127 . 4 1 1 A 17 17 VAL H H 17 8.983 9.001 -0.018 1 1 128 . 4 1 1 A 17 17 VAL HA H 17 3.910 4.110 -0.200 1 1 136 . 4 1 1 A 17 17 VAL C C 17 176.328 175.913 0.415 1 1 137 . 4 1 1 A 17 17 VAL CA C 17 63.807 63.590 0.217 1 1 138 . 4 1 1 A 17 17 VAL CB C 17 33.088 32.705 0.383 1 1 141 . 4 1 1 A 17 17 VAL N N 17 128.880 127.605 1.275 1 1 142 . 4 1 1 A 18 18 SER H H 18 7.740 7.672 0.068 1 1 143 . 4 1 1 A 18 18 SER HA H 18 4.589 4.870 -0.281 1 1 146 . 4 1 1 A 18 18 SER C C 18 171.965 172.112 -0.147 1 1 147 . 4 1 1 A 18 18 SER CA C 18 57.441 57.851 -0.410 1 1 148 . 4 1 1 A 18 18 SER CB C 18 64.058 67.559 -3.501 1 1 149 . 4 1 1 A 18 18 SER N N 18 110.447 113.300 -2.853 1 1 150 . 4 1 1 A 19 19 ALA H H 19 8.114 8.452 -0.338 1 1 151 . 4 1 1 A 19 19 ALA HA H 19 5.086 4.800 0.286 1 1 155 . 4 1 1 A 19 19 ALA C C 19 176.404 176.090 0.314 1 1 156 . 4 1 1 A 19 19 ALA CA C 19 52.453 51.632 0.821 1 1 157 . 4 1 1 A 19 19 ALA CB C 19 23.038 23.049 -0.011 1 1 158 . 4 1 1 A 19 19 ALA N N 19 121.116 123.055 -1.939 1 1 159 . 4 1 1 A 20 20 THR H H 20 8.710 8.262 0.448 1 1 160 . 4 1 1 A 20 20 THR HA H 20 4.787 4.855 -0.068 1 1 165 . 4 1 1 A 20 20 THR C C 20 175.596 174.747 0.849 1 1 166 . 4 1 1 A 20 20 THR CA C 20 60.341 60.121 0.220 1 1 167 . 4 1 1 A 20 20 THR CB C 20 71.307 70.948 0.359 1 1 169 . 4 1 1 A 20 20 THR N N 20 110.762 111.269 -0.507 1 1 170 . 4 1 1 A 21 21 MET H H 21 8.686 8.774 -0.088 1 1 171 . 4 1 1 A 21 21 MET HA H 21 4.618 4.361 0.257 1 1 179 . 4 1 1 A 21 21 MET C C 21 174.754 176.528 -1.774 1 1 180 . 4 1 1 A 21 21 MET CA C 21 59.272 57.167 2.105 1 1 181 . 4 1 1 A 21 21 MET CB C 21 34.488 32.598 1.890 1 1 184 . 4 1 1 A 21 21 MET N N 21 118.478 119.921 -1.443 1 1 185 . 4 1 1 A 22 22 ARG H H 22 7.296 7.881 -0.585 1 1 186 . 4 1 1 A 22 22 ARG HA H 22 4.453 4.683 -0.230 1 1 193 . 4 1 1 A 22 22 ARG C C 22 174.722 174.672 0.050 1 1 194 . 4 1 1 A 22 22 ARG CA C 22 54.218 55.277 -1.059 1 1 195 . 4 1 1 A 22 22 ARG CB C 22 32.509 31.968 0.541 1 1 198 . 4 1 1 A 22 22 ARG N N 22 108.176 117.394 -9.218 1 1 199 . 4 1 1 A 23 23 SER H H 23 7.387 7.707 -0.320 1 1 200 . 4 1 1 A 23 23 SER HA H 23 5.353 5.054 0.299 1 1 203 . 4 1 1 A 23 23 SER C C 23 171.910 172.017 -0.107 1 1 204 . 4 1 1 A 23 23 SER CA C 23 57.230 56.755 0.475 1 1 205 . 4 1 1 A 23 23 SER CB C 23 68.011 65.131 2.880 1 1 206 . 4 1 1 A 23 23 SER N N 23 114.861 113.418 1.443 1 1 207 . 4 1 1 A 24 24 ILE H H 24 8.061 8.515 -0.454 1 1 208 . 4 1 1 A 24 24 ILE HA H 24 4.470 4.704 -0.234 1 1 218 . 4 1 1 A 24 24 ILE C C 24 174.028 174.375 -0.347 1 1 219 . 4 1 1 A 24 24 ILE CA C 24 61.402 60.211 1.191 1 1 220 . 4 1 1 A 24 24 ILE CB C 24 43.249 41.171 2.078 1 1 224 . 4 1 1 A 24 24 ILE N N 24 116.152 122.184 -6.032 1 1 225 . 4 1 1 A 25 25 THR H H 25 8.584 9.004 -0.420 1 1 226 . 4 1 1 A 25 25 THR HA H 25 5.107 4.918 0.189 1 1 231 . 4 1 1 A 25 25 THR C C 25 173.463 173.549 -0.086 1 1 232 . 4 1 1 A 25 25 THR CA C 25 62.127 61.934 0.193 1 1 233 . 4 1 1 A 25 25 THR CB C 25 68.954 70.165 -1.211 1 1 235 . 4 1 1 A 25 25 THR N N 25 122.080 123.209 -1.129 1 1 236 . 4 1 1 A 26 26 LEU H H 26 9.093 8.746 0.347 1 1 237 . 4 1 1 A 26 26 LEU HA H 26 5.427 5.041 0.386 1 1 247 . 4 1 1 A 26 26 LEU C C 26 175.180 175.156 0.024 1 1 248 . 4 1 1 A 26 26 LEU CA C 26 53.181 53.375 -0.194 1 1 249 . 4 1 1 A 26 26 LEU CB C 26 46.902 46.896 0.006 1 1 253 . 4 1 1 A 26 26 LEU N N 26 128.231 126.488 1.743 1 1 254 . 4 1 1 A 27 27 SER H H 27 9.260 9.036 0.224 1 1 255 . 4 1 1 A 27 27 SER HA H 27 4.757 5.010 -0.253 1 1 258 . 4 1 1 A 27 27 SER C C 27 172.413 173.318 -0.905 1 1 259 . 4 1 1 A 27 27 SER CA C 27 56.912 57.384 -0.472 1 1 260 . 4 1 1 A 27 27 SER CB C 27 66.220 66.179 0.041 1 1 261 . 4 1 1 A 27 27 SER N N 27 115.325 113.086 2.239 1 1 262 . 4 1 1 A 28 28 TRP H H 28 7.430 7.936 -0.506 1 1 263 . 4 1 1 A 28 28 TRP HA H 28 5.212 5.502 -0.290 1 1 272 . 4 1 1 A 28 28 TRP C C 28 171.555 173.243 -1.688 1 1 273 . 4 1 1 A 28 28 TRP CA C 28 55.143 54.831 0.312 1 1 274 . 4 1 1 A 28 28 TRP CB C 28 28.918 31.929 -3.011 1 1 280 . 4 1 1 A 28 28 TRP N N 28 119.703 119.500 0.203 1 1 282 . 4 1 1 A 29 29 PRO HA H 29 4.543 4.537 0.006 1 1 289 . 4 1 1 A 29 29 PRO C C 29 175.962 176.270 -0.308 1 1 290 . 4 1 1 A 29 29 PRO CA C 29 61.702 62.922 -1.220 1 1 291 . 4 1 1 A 29 29 PRO CB C 29 32.041 32.131 -0.090 1 1 294 . 4 1 1 A 30 30 GLN H H 30 8.248 8.514 -0.266 1 1 295 . 4 1 1 A 30 30 GLN HA H 30 4.654 4.606 0.048 1 1 302 . 4 1 1 A 30 30 GLN C C 30 174.856 174.962 -0.106 1 1 303 . 4 1 1 A 30 30 GLN CA C 30 54.524 54.028 0.496 1 1 304 . 4 1 1 A 30 30 GLN CB C 30 28.623 29.390 -0.767 1 1 306 . 4 1 1 A 30 30 GLN N N 30 117.321 121.494 -4.173 1 1 308 . 4 1 1 A 31 31 PRO HA H 31 4.116 4.822 -0.706 1 1 315 . 4 1 1 A 31 31 PRO C C 31 175.787 176.084 -0.297 1 1 316 . 4 1 1 A 31 31 PRO CA C 31 63.364 63.032 0.332 1 1 317 . 4 1 1 A 31 31 PRO CB C 31 32.503 33.351 -0.848 1 1 320 . 4 1 1 A 32 32 GLU H H 32 8.367 8.372 -0.005 1 1 321 . 4 1 1 A 32 32 GLU HA H 32 4.004 4.545 -0.541 1 1 326 . 4 1 1 A 32 32 GLU C C 32 176.748 176.891 -0.143 1 1 327 . 4 1 1 A 32 32 GLU CA C 32 58.644 56.133 2.511 1 1 328 . 4 1 1 A 32 32 GLU CB C 32 30.271 30.754 -0.483 1 1 330 . 4 1 1 A 32 32 GLU N N 32 122.959 117.052 5.907 1 1 331 . 4 1 1 A 33 33 GLN H H 33 8.220 7.750 0.470 1 1 332 . 4 1 1 A 33 33 GLN HA H 33 4.820 4.864 -0.044 1 1 339 . 4 1 1 A 33 33 GLN C C 33 172.938 174.335 -1.397 1 1 340 . 4 1 1 A 33 33 GLN CA C 33 52.544 53.524 -0.980 1 1 341 . 4 1 1 A 33 33 GLN CB C 33 29.077 29.196 -0.119 1 1 343 . 4 1 1 A 33 33 GLN N N 33 116.413 119.657 -3.244 1 1 345 . 4 1 1 A 34 34 PRO HA H 34 4.039 4.420 -0.381 1 1 352 . 4 1 1 A 34 34 PRO C C 34 175.293 176.701 -1.408 1 1 353 . 4 1 1 A 34 34 PRO CA C 34 64.248 63.633 0.615 1 1 354 . 4 1 1 A 34 34 PRO CB C 34 31.974 32.142 -0.168 1 1 357 . 4 1 1 A 35 35 ASN H H 35 8.478 8.105 0.373 1 1 358 . 4 1 1 A 35 35 ASN HA H 35 4.270 4.384 -0.114 1 1 363 . 4 1 1 A 35 35 ASN C C 35 173.982 174.408 -0.426 1 1 364 . 4 1 1 A 35 35 ASN CA C 35 53.655 54.544 -0.889 1 1 365 . 4 1 1 A 35 35 ASN CB C 35 37.151 37.053 0.098 1 1 366 . 4 1 1 A 35 35 ASN N N 35 111.907 114.816 -2.909 1 1 368 . 4 1 1 A 36 36 GLY H H 36 7.537 7.699 -0.162 1 1 369 . 4 1 1 A 36 36 GLY HA2 H 36 4.247 4.006 0.241 1 1 370 . 4 1 1 A 36 36 GLY HA3 H 36 3.749 4.016 -0.267 1 1 371 . 4 1 1 A 36 36 GLY C C 36 172.062 172.461 -0.399 1 1 372 . 4 1 1 A 36 36 GLY CA C 36 44.147 45.323 -1.176 1 1 373 . 4 1 1 A 36 36 GLY N N 36 105.149 106.836 -1.687 1 1 374 . 4 1 1 A 37 37 ILE H H 37 8.107 8.574 -0.467 1 1 375 . 4 1 1 A 37 37 ILE HA H 37 4.017 3.962 0.055 1 1 385 . 4 1 1 A 37 37 ILE C C 37 176.534 175.442 1.092 1 1 386 . 4 1 1 A 37 37 ILE CA C 37 60.331 62.376 -2.045 1 1 387 . 4 1 1 A 37 37 ILE CB C 37 38.929 37.845 1.084 1 1 391 . 4 1 1 A 37 37 ILE N N 37 120.104 121.699 -1.595 1 1 392 . 4 1 1 A 38 38 ILE H H 38 8.678 8.835 -0.157 1 1 393 . 4 1 1 A 38 38 ILE HA H 38 3.695 4.280 -0.585 1 1 403 . 4 1 1 A 38 38 ILE C C 38 176.027 175.399 0.628 1 1 404 . 4 1 1 A 38 38 ILE CA C 38 61.811 60.734 1.077 1 1 405 . 4 1 1 A 38 38 ILE CB C 38 37.028 37.345 -0.317 1 1 409 . 4 1 1 A 38 38 ILE N N 38 127.591 126.849 0.742 1 1 410 . 4 1 1 A 39 39 LEU H H 39 9.054 8.699 0.355 1 1 411 . 4 1 1 A 39 39 LEU HA H 39 4.188 3.976 0.212 1 1 421 . 4 1 1 A 39 39 LEU C C 39 176.826 176.518 0.308 1 1 422 . 4 1 1 A 39 39 LEU CA C 39 56.416 57.805 -1.389 1 1 423 . 4 1 1 A 39 39 LEU CB C 39 42.664 42.113 0.551 1 1 427 . 4 1 1 A 39 39 LEU N N 39 130.577 129.577 1.000 1 1 428 . 4 1 1 A 40 40 ASP H H 40 7.502 7.507 -0.005 1 1 429 . 4 1 1 A 40 40 ASP HA H 40 4.392 4.936 -0.544 1 1 432 . 4 1 1 A 40 40 ASP C C 40 171.781 172.774 -0.993 1 1 433 . 4 1 1 A 40 40 ASP CA C 40 52.884 52.931 -0.047 1 1 434 . 4 1 1 A 40 40 ASP CB C 40 41.985 42.519 -0.534 1 1 435 . 4 1 1 A 40 40 ASP N N 40 112.731 113.390 -0.659 1 1 436 . 4 1 1 A 41 41 TYR H H 41 8.974 8.839 0.135 1 1 437 . 4 1 1 A 41 41 TYR HA H 41 5.379 5.247 0.132 1 1 444 . 4 1 1 A 41 41 TYR C C 41 175.555 174.539 1.016 1 1 445 . 4 1 1 A 41 41 TYR CA C 41 56.574 56.687 -0.113 1 1 446 . 4 1 1 A 41 41 TYR CB C 41 42.213 41.314 0.899 1 1 449 . 4 1 1 A 41 41 TYR N N 41 111.324 116.178 -4.854 1 1 450 . 4 1 1 A 42 42 GLU H H 42 9.184 9.200 -0.016 1 1 451 . 4 1 1 A 42 42 GLU HA H 42 5.066 4.899 0.167 1 1 456 . 4 1 1 A 42 42 GLU C C 42 174.368 175.354 -0.986 1 1 457 . 4 1 1 A 42 42 GLU CA C 42 55.126 56.069 -0.943 1 1 458 . 4 1 1 A 42 42 GLU CB C 42 33.471 31.180 2.291 1 1 460 . 4 1 1 A 42 42 GLU N N 42 120.875 124.846 -3.971 1 1 461 . 4 1 1 A 43 43 ILE H H 43 9.355 8.676 0.679 1 1 462 . 4 1 1 A 43 43 ILE HA H 43 4.853 5.288 -0.435 1 1 472 . 4 1 1 A 43 43 ILE C C 43 174.430 174.222 0.208 1 1 473 . 4 1 1 A 43 43 ILE CA C 43 60.323 60.266 0.057 1 1 474 . 4 1 1 A 43 43 ILE CB C 43 40.297 41.298 -1.001 1 1 478 . 4 1 1 A 43 43 ILE N N 43 126.045 126.538 -0.493 1 1 479 . 4 1 1 A 44 44 ARG H H 44 9.097 9.343 -0.246 1 1 480 . 4 1 1 A 44 44 ARG HA H 44 5.545 5.174 0.371 1 1 487 . 4 1 1 A 44 44 ARG C C 44 175.523 174.567 0.956 1 1 488 . 4 1 1 A 44 44 ARG CA C 44 54.386 54.362 0.024 1 1 489 . 4 1 1 A 44 44 ARG CB C 44 34.638 32.968 1.670 1 1 492 . 4 1 1 A 44 44 ARG N N 44 127.831 129.279 -1.448 1 1 493 . 4 1 1 A 45 45 TYR H H 45 8.893 8.326 0.567 1 1 494 . 4 1 1 A 45 45 TYR HA H 45 6.272 5.916 0.356 1 1 501 . 4 1 1 A 45 45 TYR C C 45 173.560 172.999 0.561 1 1 502 . 4 1 1 A 45 45 TYR CA C 45 54.767 55.613 -0.846 1 1 503 . 4 1 1 A 45 45 TYR CB C 45 43.168 42.179 0.989 1 1 508 . 4 1 1 A 45 45 TYR N N 45 123.683 122.404 1.279 1 1 509 . 4 1 1 A 46 46 TYR H H 46 8.479 8.285 0.194 1 1 510 . 4 1 1 A 46 46 TYR HA H 46 5.048 5.469 -0.421 1 1 517 . 4 1 1 A 46 46 TYR C C 46 173.870 174.845 -0.975 1 1 518 . 4 1 1 A 46 46 TYR CA C 46 55.485 55.280 0.205 1 1 519 . 4 1 1 A 46 46 TYR CB C 46 39.975 41.942 -1.967 1 1 524 . 4 1 1 A 46 46 TYR N N 46 114.778 118.168 -3.390 1 1 525 . 4 1 1 A 47 47 GLU H H 47 9.111 8.751 0.360 1 1 526 . 4 1 1 A 47 47 GLU HA H 47 3.819 3.893 -0.074 1 1 531 . 4 1 1 A 47 47 GLU C C 47 177.764 177.632 0.132 1 1 532 . 4 1 1 A 47 47 GLU CA C 47 57.123 57.030 0.093 1 1 533 . 4 1 1 A 47 47 GLU CB C 47 29.773 29.642 0.131 1 1 535 . 4 1 1 A 47 47 GLU N N 47 122.069 121.404 0.665 1 1 536 . 4 1 1 A 48 48 LYS H H 48 8.246 8.531 -0.285 1 1 537 . 4 1 1 A 48 48 LYS HA H 48 3.722 4.080 -0.358 1 1 546 . 4 1 1 A 48 48 LYS C C 48 176.588 177.941 -1.353 1 1 547 . 4 1 1 A 48 48 LYS CA C 48 59.774 58.828 0.946 1 1 548 . 4 1 1 A 48 48 LYS CB C 48 33.032 32.371 0.661 1 1 552 . 4 1 1 A 48 48 LYS N N 48 122.857 125.099 -2.242 1 1 553 . 4 1 1 A 49 49 GLU H H 49 8.192 7.506 0.686 1 1 554 . 4 1 1 A 49 49 GLU HA H 49 4.216 4.382 -0.166 1 1 559 . 4 1 1 A 49 49 GLU C C 49 176.987 176.933 0.054 1 1 560 . 4 1 1 A 49 49 GLU CA C 49 57.447 57.139 0.308 1 1 561 . 4 1 1 A 49 49 GLU CB C 49 28.987 30.697 -1.710 1 1 563 . 4 1 1 A 49 49 GLU N N 49 114.305 116.467 -2.162 1 1 564 . 4 1 1 A 50 50 HIS H H 50 8.329 8.043 0.286 1 1 565 . 4 1 1 A 50 50 HIS HA H 50 4.928 4.867 0.061 1 1 570 . 4 1 1 A 50 50 HIS C C 50 173.255 174.555 -1.300 1 1 571 . 4 1 1 A 50 50 HIS CA C 50 54.372 55.938 -1.566 1 1 572 . 4 1 1 A 50 50 HIS CB C 50 31.082 32.122 -1.040 1 1 575 . 4 1 1 A 50 50 HIS N N 50 120.021 118.261 1.760 1 1 576 . 4 1 1 A 51 51 ASN H H 51 7.687 8.756 -1.069 1 1 577 . 4 1 1 A 51 51 ASN HA H 51 4.259 4.633 -0.374 1 1 582 . 4 1 1 A 51 51 ASN C C 51 174.779 175.788 -1.009 1 1 583 . 4 1 1 A 51 51 ASN CA C 51 52.561 51.408 1.153 1 1 584 . 4 1 1 A 51 51 ASN CB C 51 39.474 40.715 -1.241 1 1 585 . 4 1 1 A 51 51 ASN N N 51 114.158 118.051 -3.893 1 1 587 . 4 1 1 A 52 52 GLU H H 52 8.551 8.542 0.009 1 1 588 . 4 1 1 A 52 52 GLU HA H 52 2.797 3.825 -1.028 1 1 593 . 4 1 1 A 52 52 GLU C C 52 177.117 178.624 -1.507 1 1 594 . 4 1 1 A 52 52 GLU CA C 52 58.155 59.225 -1.070 1 1 595 . 4 1 1 A 52 52 GLU CB C 52 28.912 29.266 -0.354 1 1 597 . 4 1 1 A 52 52 GLU N N 52 117.019 120.751 -3.732 1 1 598 . 4 1 1 A 53 53 PHE H H 53 7.855 8.273 -0.418 1 1 599 . 4 1 1 A 53 53 PHE HA H 53 4.371 4.010 0.361 1 1 607 . 4 1 1 A 53 53 PHE C C 53 175.783 177.896 -2.113 1 1 608 . 4 1 1 A 53 53 PHE CA C 53 58.785 62.084 -3.299 1 1 609 . 4 1 1 A 53 53 PHE CB C 53 37.747 39.296 -1.549 1 1 615 . 4 1 1 A 53 53 PHE N N 53 119.462 120.971 -1.509 1 1 616 . 4 1 1 A 54 54 ASN H H 54 7.744 8.072 -0.328 1 1 617 . 4 1 1 A 54 54 ASN HA H 54 4.948 4.879 0.069 1 1 622 . 4 1 1 A 54 54 ASN C C 54 173.922 174.486 -0.564 1 1 623 . 4 1 1 A 54 54 ASN CA C 54 52.102 51.961 0.141 1 1 624 . 4 1 1 A 54 54 ASN CB C 54 38.637 36.437 2.200 1 1 625 . 4 1 1 A 54 54 ASN N N 54 120.451 118.192 2.259 1 1 627 . 4 1 1 A 55 55 SER H H 55 7.469 7.905 -0.436 1 1 628 . 4 1 1 A 55 55 SER HA H 55 4.710 5.125 -0.415 1 1 631 . 4 1 1 A 55 55 SER C C 55 173.922 172.623 1.299 1 1 632 . 4 1 1 A 55 55 SER CA C 55 57.883 55.474 2.409 1 1 633 . 4 1 1 A 55 55 SER CB C 55 66.064 65.762 0.302 1 1 634 . 4 1 1 A 55 55 SER N N 55 113.429 117.912 -4.483 1 1 635 . 4 1 1 A 56 56 SER H H 56 8.458 8.125 0.333 1 1 636 . 4 1 1 A 56 56 SER HA H 56 4.632 4.922 -0.290 1 1 639 . 4 1 1 A 56 56 SER C C 56 171.119 173.095 -1.976 1 1 640 . 4 1 1 A 56 56 SER CA C 56 57.866 57.259 0.607 1 1 641 . 4 1 1 A 56 56 SER CB C 56 65.164 65.871 -0.707 1 1 642 . 4 1 1 A 56 56 SER N N 56 116.653 118.422 -1.769 1 1 643 . 4 1 1 A 57 57 MET H H 57 8.355 8.882 -0.527 1 1 644 . 4 1 1 A 57 57 MET HA H 57 5.776 5.695 0.081 1 1 652 . 4 1 1 A 57 57 MET C C 57 175.771 175.356 0.415 1 1 653 . 4 1 1 A 57 57 MET CA C 57 53.913 53.777 0.136 1 1 654 . 4 1 1 A 57 57 MET CB C 57 36.115 35.031 1.084 1 1 657 . 4 1 1 A 57 57 MET N N 57 119.463 124.001 -4.538 1 1 658 . 4 1 1 A 58 58 ALA H H 58 9.547 8.862 0.685 1 1 659 . 4 1 1 A 58 58 ALA HA H 58 4.890 5.319 -0.429 1 1 663 . 4 1 1 A 58 58 ALA C C 58 175.328 175.641 -0.313 1 1 664 . 4 1 1 A 58 58 ALA CA C 58 50.829 50.813 0.016 1 1 665 . 4 1 1 A 58 58 ALA CB C 58 22.649 22.794 -0.145 1 1 666 . 4 1 1 A 58 58 ALA N N 58 127.410 123.608 3.802 1 1 667 . 4 1 1 A 59 59 ARG H H 59 8.776 8.779 -0.003 1 1 668 . 4 1 1 A 59 59 ARG HA H 59 5.567 4.953 0.614 1 1 675 . 4 1 1 A 59 59 ARG C C 59 176.336 175.288 1.048 1 1 676 . 4 1 1 A 59 59 ARG CA C 59 54.843 55.908 -1.065 1 1 677 . 4 1 1 A 59 59 ARG CB C 59 33.691 31.968 1.723 1 1 680 . 4 1 1 A 59 59 ARG N N 59 119.945 123.258 -3.313 1 1 681 . 4 1 1 A 60 60 SER H H 60 8.919 8.420 0.499 1 1 682 . 4 1 1 A 60 60 SER HA H 60 5.011 5.297 -0.286 1 1 685 . 4 1 1 A 60 60 SER C C 60 174.614 173.752 0.862 1 1 686 . 4 1 1 A 60 60 SER CA C 60 56.752 56.922 -0.170 1 1 687 . 4 1 1 A 60 60 SER CB C 60 66.198 65.409 0.789 1 1 688 . 4 1 1 A 60 60 SER N N 60 115.274 116.566 -1.292 1 1 689 . 4 1 1 A 61 61 GLN H H 61 9.367 8.797 0.570 1 1 690 . 4 1 1 A 61 61 GLN HA H 61 4.556 4.588 -0.032 1 1 697 . 4 1 1 A 61 61 GLN C C 61 175.391 175.110 0.281 1 1 698 . 4 1 1 A 61 61 GLN CA C 61 57.664 56.391 1.273 1 1 699 . 4 1 1 A 61 61 GLN CB C 61 29.763 29.363 0.400 1 1 701 . 4 1 1 A 61 61 GLN N N 61 124.808 123.359 1.449 1 1 703 . 4 1 1 A 62 62 THR H H 62 8.075 7.532 0.543 1 1 704 . 4 1 1 A 62 62 THR HA H 62 4.918 4.470 0.448 1 1 709 . 4 1 1 A 62 62 THR C C 62 173.106 172.972 0.134 1 1 710 . 4 1 1 A 62 62 THR CA C 62 59.369 60.283 -0.914 1 1 711 . 4 1 1 A 62 62 THR CB C 62 70.607 69.333 1.274 1 1 713 . 4 1 1 A 62 62 THR N N 62 110.260 113.721 -3.461 1 1 714 . 4 1 1 A 63 63 ASN H H 63 8.575 8.245 0.330 1 1 715 . 4 1 1 A 63 63 ASN HA H 63 3.457 3.815 -0.358 1 1 720 . 4 1 1 A 63 63 ASN C C 63 172.343 173.457 -1.114 1 1 721 . 4 1 1 A 63 63 ASN CA C 63 53.270 52.707 0.563 1 1 722 . 4 1 1 A 63 63 ASN CB C 63 34.441 37.987 -3.546 1 1 723 . 4 1 1 A 63 63 ASN N N 63 119.090 121.087 -1.997 1 1 725 . 4 1 1 A 64 64 THR H H 64 6.850 7.170 -0.320 1 1 726 . 4 1 1 A 64 64 THR HA H 64 4.296 4.246 0.050 1 1 731 . 4 1 1 A 64 64 THR C C 64 172.238 172.623 -0.385 1 1 732 . 4 1 1 A 64 64 THR CA C 64 60.501 60.283 0.218 1 1 733 . 4 1 1 A 64 64 THR CB C 64 71.252 70.992 0.260 1 1 735 . 4 1 1 A 64 64 THR N N 64 111.612 114.055 -2.443 1 1 736 . 4 1 1 A 65 65 ALA H H 65 8.619 8.905 -0.286 1 1 737 . 4 1 1 A 65 65 ALA HA H 65 4.595 5.033 -0.438 1 1 741 . 4 1 1 A 65 65 ALA C C 65 174.046 174.881 -0.835 1 1 742 . 4 1 1 A 65 65 ALA CA C 65 52.102 51.203 0.899 1 1 743 . 4 1 1 A 65 65 ALA CB C 65 22.427 23.075 -0.648 1 1 744 . 4 1 1 A 65 65 ALA N N 65 124.370 130.281 -5.911 1 1 745 . 4 1 1 A 66 66 ARG H H 66 8.533 8.680 -0.147 1 1 746 . 4 1 1 A 66 66 ARG HA H 66 4.973 4.902 0.071 1 1 753 . 4 1 1 A 66 66 ARG C C 66 175.240 174.827 0.413 1 1 754 . 4 1 1 A 66 66 ARG CA C 66 54.560 54.990 -0.430 1 1 755 . 4 1 1 A 66 66 ARG CB C 66 32.088 31.835 0.253 1 1 758 . 4 1 1 A 66 66 ARG N N 66 122.633 122.383 0.250 1 1 759 . 4 1 1 A 67 67 ILE H H 67 8.967 8.982 -0.015 1 1 760 . 4 1 1 A 67 67 ILE HA H 67 4.013 4.467 -0.454 1 1 770 . 4 1 1 A 67 67 ILE C C 67 174.026 174.575 -0.549 1 1 771 . 4 1 1 A 67 67 ILE CA C 67 60.377 59.712 0.665 1 1 772 . 4 1 1 A 67 67 ILE CB C 67 38.044 38.601 -0.557 1 1 776 . 4 1 1 A 67 67 ILE N N 67 128.560 125.518 3.042 1 1 777 . 4 1 1 A 68 68 ASP H H 68 8.117 8.580 -0.463 1 1 778 . 4 1 1 A 68 68 ASP HA H 68 5.060 5.240 -0.180 1 1 781 . 4 1 1 A 68 68 ASP C C 68 175.792 175.862 -0.070 1 1 782 . 4 1 1 A 68 68 ASP CA C 68 52.474 52.181 0.293 1 1 783 . 4 1 1 A 68 68 ASP CB C 68 44.116 43.998 0.118 1 1 784 . 4 1 1 A 68 68 ASP N N 68 125.243 124.935 0.308 1 1 785 . 4 1 1 A 69 69 GLY H H 69 8.568 8.468 0.100 1 1 786 . 4 1 1 A 69 69 GLY HA2 H 69 3.951 3.942 0.009 1 1 787 . 4 1 1 A 69 69 GLY HA3 H 69 3.830 3.956 -0.126 1 1 788 . 4 1 1 A 69 69 GLY C C 69 175.359 173.981 1.378 1 1 789 . 4 1 1 A 69 69 GLY CA C 69 46.356 46.140 0.216 1 1 790 . 4 1 1 A 69 69 GLY N N 69 105.736 110.879 -5.143 1 1 791 . 4 1 1 A 70 70 LEU H H 70 7.982 7.459 0.523 1 1 792 . 4 1 1 A 70 70 LEU HA H 70 4.356 4.830 -0.474 1 1 802 . 4 1 1 A 70 70 LEU C C 70 175.151 175.554 -0.403 1 1 803 . 4 1 1 A 70 70 LEU CA C 70 53.110 53.017 0.093 1 1 804 . 4 1 1 A 70 70 LEU CB C 70 40.992 45.635 -4.643 1 1 808 . 4 1 1 A 70 70 LEU N N 70 118.817 120.082 -1.265 1 1 809 . 4 1 1 A 71 71 ARG H H 71 8.148 8.493 -0.345 1 1 810 . 4 1 1 A 71 71 ARG HA H 71 4.922 4.815 0.107 1 1 817 . 4 1 1 A 71 71 ARG C C 71 174.419 174.169 0.250 1 1 818 . 4 1 1 A 71 71 ARG CA C 71 53.534 53.501 0.033 1 1 819 . 4 1 1 A 71 71 ARG CB C 71 32.001 30.278 1.723 1 1 822 . 4 1 1 A 71 71 ARG N N 71 118.182 121.934 -3.752 1 1 823 . 4 1 1 A 72 72 PRO HA H 72 5.168 4.513 0.655 1 1 830 . 4 1 1 A 72 72 PRO C C 72 178.121 177.612 0.509 1 1 831 . 4 1 1 A 72 72 PRO CA C 72 63.416 63.758 -0.342 1 1 832 . 4 1 1 A 72 72 PRO CB C 72 32.908 31.279 1.629 1 1 835 . 4 1 1 A 73 73 GLY H H 73 7.705 9.029 -1.324 1 1 836 . 4 1 1 A 73 73 GLY HA2 H 73 3.856 4.001 -0.145 1 1 837 . 4 1 1 A 73 73 GLY HA3 H 73 3.508 4.007 -0.499 1 1 838 . 4 1 1 A 73 73 GLY C C 73 173.685 173.866 -0.181 1 1 839 . 4 1 1 A 73 73 GLY CA C 73 46.731 46.395 0.336 1 1 840 . 4 1 1 A 73 73 GLY N N 73 112.669 112.324 0.345 1 1 841 . 4 1 1 A 74 74 MET H H 74 7.511 7.434 0.077 1 1 842 . 4 1 1 A 74 74 MET HA H 74 4.742 5.066 -0.324 1 1 850 . 4 1 1 A 74 74 MET C C 74 173.525 174.170 -0.645 1 1 851 . 4 1 1 A 74 74 MET CA C 74 53.216 54.159 -0.943 1 1 852 . 4 1 1 A 74 74 MET CB C 74 33.610 38.028 -4.418 1 1 855 . 4 1 1 A 74 74 MET N N 74 119.820 118.389 1.431 1 1 856 . 4 1 1 A 75 75 VAL H H 75 7.651 8.365 -0.714 1 1 857 . 4 1 1 A 75 75 VAL HA H 75 4.361 4.899 -0.538 1 1 865 . 4 1 1 A 75 75 VAL C C 75 174.677 174.631 0.046 1 1 866 . 4 1 1 A 75 75 VAL CA C 75 61.581 61.226 0.355 1 1 867 . 4 1 1 A 75 75 VAL CB C 75 32.345 33.705 -1.360 1 1 870 . 4 1 1 A 75 75 VAL N N 75 121.287 120.869 0.418 1 1 871 . 4 1 1 A 76 76 TYR H H 76 9.405 9.079 0.326 1 1 872 . 4 1 1 A 76 76 TYR HA H 76 4.743 4.974 -0.231 1 1 879 . 4 1 1 A 76 76 TYR C C 76 174.740 174.678 0.062 1 1 880 . 4 1 1 A 76 76 TYR CA C 76 57.424 56.572 0.852 1 1 881 . 4 1 1 A 76 76 TYR CB C 76 41.151 42.674 -1.523 1 1 886 . 4 1 1 A 76 76 TYR N N 76 126.231 125.683 0.548 1 1 887 . 4 1 1 A 77 77 VAL H H 77 8.867 8.585 0.282 1 1 888 . 4 1 1 A 77 77 VAL HA H 77 4.318 4.457 -0.139 1 1 896 . 4 1 1 A 77 77 VAL C C 77 175.773 175.103 0.670 1 1 897 . 4 1 1 A 77 77 VAL CA C 77 61.473 62.227 -0.754 1 1 898 . 4 1 1 A 77 77 VAL CB C 77 31.218 30.960 0.258 1 1 901 . 4 1 1 A 77 77 VAL N N 77 123.699 123.809 -0.110 1 1 902 . 4 1 1 A 78 78 VAL H H 78 8.683 8.543 0.140 1 1 903 . 4 1 1 A 78 78 VAL HA H 78 4.995 5.082 -0.087 1 1 911 . 4 1 1 A 78 78 VAL C C 78 175.275 175.197 0.078 1 1 912 . 4 1 1 A 78 78 VAL CA C 78 60.942 61.198 -0.256 1 1 913 . 4 1 1 A 78 78 VAL CB C 78 34.790 33.352 1.438 1 1 916 . 4 1 1 A 78 78 VAL N N 78 124.155 128.851 -4.696 1 1 917 . 4 1 1 A 79 79 GLN H H 79 8.613 8.974 -0.361 1 1 918 . 4 1 1 A 79 79 GLN HA H 79 4.511 4.993 -0.482 1 1 925 . 4 1 1 A 79 79 GLN C C 79 173.361 174.108 -0.747 1 1 926 . 4 1 1 A 79 79 GLN CA C 79 54.666 54.279 0.387 1 1 927 . 4 1 1 A 79 79 GLN CB C 79 36.751 32.868 3.883 1 1 929 . 4 1 1 A 79 79 GLN N N 79 121.693 125.302 -3.609 1 1 931 . 4 1 1 A 80 80 VAL H H 80 9.019 8.532 0.487 1 1 932 . 4 1 1 A 80 80 VAL HA H 80 5.801 5.126 0.675 1 1 940 . 4 1 1 A 80 80 VAL C C 80 174.526 174.633 -0.107 1 1 941 . 4 1 1 A 80 80 VAL CA C 80 58.750 59.443 -0.693 1 1 942 . 4 1 1 A 80 80 VAL CB C 80 35.479 34.454 1.025 1 1 945 . 4 1 1 A 80 80 VAL N N 80 118.559 122.127 -3.568 1 1 946 . 4 1 1 A 81 81 ARG H H 81 9.199 8.793 0.406 1 1 947 . 4 1 1 A 81 81 ARG HA H 81 4.951 4.954 -0.003 1 1 955 . 4 1 1 A 81 81 ARG C C 81 172.660 174.196 -1.536 1 1 956 . 4 1 1 A 81 81 ARG CA C 81 54.295 53.628 0.667 1 1 957 . 4 1 1 A 81 81 ARG CB C 81 33.750 33.545 0.205 1 1 960 . 4 1 1 A 81 81 ARG N N 81 125.225 125.699 -0.474 1 1 962 . 4 1 1 A 82 82 ALA H H 82 8.762 8.699 0.063 1 1 963 . 4 1 1 A 82 82 ALA HA H 82 4.820 5.138 -0.318 1 1 967 . 4 1 1 A 82 82 ALA C C 82 174.783 175.415 -0.632 1 1 968 . 4 1 1 A 82 82 ALA CA C 82 50.741 50.361 0.380 1 1 969 . 4 1 1 A 82 82 ALA CB C 82 22.383 20.848 1.535 1 1 970 . 4 1 1 A 82 82 ALA N N 82 124.292 122.659 1.633 1 1 971 . 4 1 1 A 83 83 ARG H H 83 8.336 8.263 0.073 1 1 972 . 4 1 1 A 83 83 ARG HA H 83 4.737 4.972 -0.235 1 1 980 . 4 1 1 A 83 83 ARG C C 83 175.290 174.909 0.381 1 1 981 . 4 1 1 A 83 83 ARG CA C 83 55.727 54.290 1.437 1 1 982 . 4 1 1 A 83 83 ARG CB C 83 34.562 33.138 1.424 1 1 985 . 4 1 1 A 83 83 ARG N N 83 121.023 124.080 -3.057 1 1 987 . 4 1 1 A 84 84 THR H H 84 8.485 8.783 -0.298 1 1 988 . 4 1 1 A 84 84 THR HA H 84 4.875 4.944 -0.069 1 1 993 . 4 1 1 A 84 84 THR C C 84 176.218 175.356 0.862 1 1 994 . 4 1 1 A 84 84 THR CA C 84 59.475 58.988 0.487 1 1 995 . 4 1 1 A 84 84 THR CB C 84 72.440 72.184 0.256 1 1 997 . 4 1 1 A 84 84 THR N N 84 116.374 117.638 -1.264 1 1 998 . 4 1 1 A 85 85 VAL H H 85 9.283 8.934 0.349 1 1 999 . 4 1 1 A 85 85 VAL HA H 85 3.794 3.733 0.061 1 1 1007 . 4 1 1 A 85 85 VAL C C 85 175.930 177.376 -1.446 1 1 1008 . 4 1 1 A 85 85 VAL CA C 85 64.934 65.062 -0.128 1 1 1009 . 4 1 1 A 85 85 VAL CB C 85 31.621 31.250 0.371 1 1 1012 . 4 1 1 A 85 85 VAL N N 85 119.099 119.931 -0.832 1 1 1013 . 4 1 1 A 86 86 ALA H H 86 7.840 7.787 0.053 1 1 1014 . 4 1 1 A 86 86 ALA HA H 86 4.242 4.100 0.142 1 1 1018 . 4 1 1 A 86 86 ALA C C 86 177.467 177.525 -0.058 1 1 1019 . 4 1 1 A 86 86 ALA CA C 86 52.774 54.470 -1.696 1 1 1020 . 4 1 1 A 86 86 ALA CB C 86 19.733 19.997 -0.264 1 1 1021 . 4 1 1 A 86 86 ALA N N 86 121.263 123.737 -2.474 1 1 1022 . 4 1 1 A 87 87 GLY H H 87 7.365 7.171 0.194 1 1 1023 . 4 1 1 A 87 87 GLY HA2 H 87 4.402 3.966 0.436 1 1 1024 . 4 1 1 A 87 87 GLY HA3 H 87 3.588 4.049 -0.461 1 1 1025 . 4 1 1 A 87 87 GLY C C 87 171.960 171.114 0.846 1 1 1026 . 4 1 1 A 87 87 GLY CA C 87 44.170 46.068 -1.898 1 1 1027 . 4 1 1 A 87 87 GLY N N 87 105.736 102.101 3.635 1 1 1028 . 4 1 1 A 88 88 TYR H H 88 8.444 8.556 -0.112 1 1 1029 . 4 1 1 A 88 88 TYR HA H 88 5.063 4.767 0.296 1 1 1036 . 4 1 1 A 88 88 TYR C C 88 179.239 175.728 3.511 1 1 1037 . 4 1 1 A 88 88 TYR CA C 88 58.308 56.252 2.056 1 1 1038 . 4 1 1 A 88 88 TYR CB C 88 41.442 39.838 1.604 1 1 1043 . 4 1 1 A 88 88 TYR N N 88 116.996 120.283 -3.287 1 1 1044 . 4 1 1 A 89 89 GLY H H 89 8.676 8.451 0.225 1 1 1045 . 4 1 1 A 89 89 GLY HA2 H 89 4.324 4.169 0.155 1 1 1046 . 4 1 1 A 89 89 GLY HA3 H 89 3.973 4.194 -0.221 1 1 1047 . 4 1 1 A 89 89 GLY C C 89 173.844 172.887 0.957 1 1 1048 . 4 1 1 A 89 89 GLY CA C 89 43.916 44.158 -0.242 1 1 1049 . 4 1 1 A 89 89 GLY N N 89 107.850 111.335 -3.485 1 1 1050 . 4 1 1 A 90 90 LYS H H 90 8.711 8.320 0.391 1 1 1051 . 4 1 1 A 90 90 LYS HA H 90 4.166 4.187 -0.021 1 1 1060 . 4 1 1 A 90 90 LYS C C 90 177.819 176.951 0.868 1 1 1061 . 4 1 1 A 90 90 LYS CA C 90 56.162 56.248 -0.086 1 1 1062 . 4 1 1 A 90 90 LYS CB C 90 32.730 32.825 -0.095 1 1 1066 . 4 1 1 A 90 90 LYS N N 90 119.382 119.825 -0.443 1 1 1067 . 4 1 1 A 91 91 PHE H H 91 8.698 8.795 -0.097 1 1 1068 . 4 1 1 A 91 91 PHE HA H 91 4.241 4.749 -0.508 1 1 1076 . 4 1 1 A 91 91 PHE C C 91 176.805 176.034 0.771 1 1 1077 . 4 1 1 A 91 91 PHE CA C 91 61.027 58.258 2.769 1 1 1078 . 4 1 1 A 91 91 PHE CB C 91 39.995 39.981 0.014 1 1 1084 . 4 1 1 A 91 91 PHE N N 91 120.691 121.744 -1.053 1 1 1085 . 4 1 1 A 92 92 SER H H 92 8.311 8.593 -0.282 1 1 1086 . 4 1 1 A 92 92 SER HA H 92 4.259 4.709 -0.450 1 1 1089 . 4 1 1 A 92 92 SER C C 92 173.499 175.093 -1.594 1 1 1090 . 4 1 1 A 92 92 SER CA C 92 58.146 57.639 0.507 1 1 1091 . 4 1 1 A 92 92 SER CB C 92 65.329 65.041 0.288 1 1 1092 . 4 1 1 A 92 92 SER N N 92 115.098 115.645 -0.547 1 1 1093 . 4 1 1 A 93 93 GLY H H 93 8.869 8.504 0.365 1 1 1094 . 4 1 1 A 93 93 GLY HA2 H 93 4.071 3.991 0.080 1 1 1095 . 4 1 1 A 93 93 GLY HA3 H 93 3.780 4.000 -0.220 1 1 1096 . 4 1 1 A 93 93 GLY C C 93 174.375 173.952 0.423 1 1 1097 . 4 1 1 A 93 93 GLY CA C 93 45.331 45.775 -0.444 1 1 1098 . 4 1 1 A 93 93 GLY N N 93 106.252 108.137 -1.885 1 1 1099 . 4 1 1 A 94 94 LYS H H 94 8.619 8.379 0.240 1 1 1100 . 4 1 1 A 94 94 LYS HA H 94 3.633 4.085 -0.452 1 1 1109 . 4 1 1 A 94 94 LYS C C 94 176.004 175.971 0.033 1 1 1110 . 4 1 1 A 94 94 LYS CA C 94 59.068 57.422 1.646 1 1 1111 . 4 1 1 A 94 94 LYS CB C 94 33.072 32.668 0.404 1 1 1115 . 4 1 1 A 94 94 LYS N N 94 122.645 122.825 -0.180 1 1 1116 . 4 1 1 A 95 95 MET H H 95 7.547 8.636 -1.089 1 1 1117 . 4 1 1 A 95 95 MET HA H 95 4.520 4.958 -0.438 1 1 1125 . 4 1 1 A 95 95 MET C C 95 173.400 174.510 -1.110 1 1 1126 . 4 1 1 A 95 95 MET CA C 95 54.701 53.832 0.869 1 1 1127 . 4 1 1 A 95 95 MET CB C 95 37.784 35.712 2.072 1 1 1130 . 4 1 1 A 95 95 MET N N 95 122.392 122.954 -0.562 1 1 1131 . 4 1 1 A 96 96 CYS H H 96 7.888 8.434 -0.546 1 1 1132 . 4 1 1 A 96 96 CYS HA H 96 5.465 5.090 0.375 1 1 1135 . 4 1 1 A 96 96 CYS C C 96 173.757 173.115 0.642 1 1 1136 . 4 1 1 A 96 96 CYS CA C 96 57.353 57.133 0.220 1 1 1137 . 4 1 1 A 96 96 CYS CB C 96 29.941 29.398 0.543 1 1 1138 . 4 1 1 A 96 96 CYS N N 96 117.124 121.901 -4.777 1 1 1139 . 4 1 1 A 97 97 PHE H H 97 9.133 9.087 0.046 1 1 1140 . 4 1 1 A 97 97 PHE HA H 97 4.879 5.230 -0.351 1 1 1148 . 4 1 1 A 97 97 PHE C C 97 173.309 175.460 -2.151 1 1 1149 . 4 1 1 A 97 97 PHE CA C 97 56.983 56.471 0.512 1 1 1150 . 4 1 1 A 97 97 PHE CB C 97 44.074 41.093 2.981 1 1 1156 . 4 1 1 A 97 97 PHE N N 97 121.239 123.781 -2.542 1 1 1157 . 4 1 1 A 98 98 GLN H H 98 8.884 8.923 -0.039 1 1 1158 . 4 1 1 A 98 98 GLN HA H 98 5.809 5.428 0.381 1 1 1165 . 4 1 1 A 98 98 GLN C C 98 176.454 175.718 0.736 1 1 1166 . 4 1 1 A 98 98 GLN CA C 98 54.125 54.710 -0.585 1 1 1167 . 4 1 1 A 98 98 GLN CB C 98 33.444 30.848 2.596 1 1 1169 . 4 1 1 A 98 98 GLN N N 98 120.699 121.739 -1.040 1 1 1171 . 4 1 1 A 99 99 THR H H 99 8.176 8.609 -0.433 1 1 1172 . 4 1 1 A 99 99 THR HA H 99 4.324 4.644 -0.320 1 1 1177 . 4 1 1 A 99 99 THR C C 99 175.929 174.427 1.502 1 1 1178 . 4 1 1 A 99 99 THR CA C 99 60.341 61.021 -0.680 1 1 1179 . 4 1 1 A 99 99 THR CB C 99 70.070 71.779 -1.709 1 1 1181 . 4 1 1 A 99 99 THR N N 99 112.214 113.026 -0.812 1 1 1182 . 4 1 1 A 100 100 LEU H H 100 7.368 8.390 -1.022 1 1 1183 . 4 1 1 A 100 100 LEU HA H 100 4.310 4.477 -0.167 1 1 1193 . 4 1 1 A 100 100 LEU C C 100 177.359 176.211 1.148 1 1 1194 . 4 1 1 A 100 100 LEU CA C 100 54.790 54.596 0.194 1 1 1195 . 4 1 1 A 100 100 LEU CB C 100 42.096 42.734 -0.638 1 1 1199 . 4 1 1 A 100 100 LEU N N 100 117.018 122.567 -5.549 1 1 1200 . 4 1 1 A 101 101 THR H H 101 7.997 8.662 -0.665 1 1 1201 . 4 1 1 A 101 101 THR HA H 101 4.123 5.060 -0.937 1 1 1206 . 4 1 1 A 101 101 THR C C 101 174.014 171.852 2.162 1 1 1207 . 4 1 1 A 101 101 THR CA C 101 61.968 60.304 1.664 1 1 1208 . 4 1 1 A 101 101 THR CB C 101 70.172 71.393 -1.221 1 1 1210 . 4 1 1 A 101 101 THR N N 101 110.428 115.018 -4.590 1 1 1211 . 4 1 1 A 102 102 ASP H H 102 8.320 9.047 -0.727 1 1 1212 . 4 1 1 A 102 102 ASP HA H 102 4.853 4.883 -0.030 1 1 1215 . 4 1 1 A 102 102 ASP C C 102 176.204 174.842 1.362 1 1 1216 . 4 1 1 A 102 102 ASP CA C 102 53.694 53.345 0.349 1 1 1217 . 4 1 1 A 102 102 ASP CB C 102 41.808 40.929 0.879 1 1 1218 . 4 1 1 A 102 102 ASP N N 102 120.693 129.916 -9.223 1 1 1219 . 4 1 1 A 103 103 SER H H 103 8.294 8.374 -0.080 1 1 1220 . 4 1 1 A 103 103 SER HA H 103 4.486 4.934 -0.448 1 1 1223 . 4 1 1 A 103 103 SER C C 103 174.875 173.585 1.290 1 1 1224 . 4 1 1 A 103 103 SER CA C 103 58.361 57.330 1.031 1 1 1225 . 4 1 1 A 103 103 SER CB C 103 63.942 65.607 -1.665 1 1 1226 . 4 1 1 A 103 103 SER N N 103 117.442 119.113 -1.671 1 1 1227 . 4 1 1 A 104 104 GLY H H 104 8.393 8.777 -0.384 1 1 1228 . 4 1 1 A 104 104 GLY HA2 H 104 4.104 4.039 0.065 1 1 1229 . 4 1 1 A 104 104 GLY HA3 H 104 4.104 4.039 0.065 1 1 1230 . 4 1 1 A 104 104 GLY C C 104 172.016 173.123 -1.107 1 1 1231 . 4 1 1 A 104 104 GLY CA C 104 44.800 44.967 -0.167 1 1 1232 . 4 1 1 A 104 104 GLY N N 104 111.065 113.312 -2.247 1 1 1233 . 4 1 1 A 105 105 PRO HA H 105 4.475 4.350 0.125 1 1 1240 . 4 1 1 A 105 105 PRO C C 105 177.464 177.425 0.039 1 1 1241 . 4 1 1 A 105 105 PRO CA C 105 63.329 63.387 -0.058 1 1 1242 . 4 1 1 A 105 105 PRO CB C 105 32.249 32.159 0.090 1 1 1245 . 4 1 1 A 106 106 SER H H 106 8.514 8.938 -0.424 1 1 1246 . 4 1 1 A 106 106 SER HA H 106 4.512 4.087 0.425 1 1 1249 . 4 1 1 A 106 106 SER C C 106 174.735 173.258 1.477 1 1 1250 . 4 1 1 A 106 106 SER CA C 106 58.361 59.160 -0.799 1 1 1251 . 4 1 1 A 106 106 SER CB C 106 63.820 61.377 2.443 1 1 1252 . 4 1 1 A 106 106 SER N N 106 116.429 118.023 -1.594 1 1 1253 . 4 1 1 A 107 107 SER H H 107 8.329 8.069 0.260 1 1 1254 . 4 1 1 A 107 107 SER HA H 107 4.512 4.498 0.014 1 1 1257 . 4 1 1 A 107 107 SER C C 107 174.004 174.988 -0.984 1 1 1258 . 4 1 1 A 107 107 SER CA C 107 58.414 59.645 -1.231 1 1 1259 . 4 1 1 A 107 107 SER CB C 107 64.014 62.564 1.450 1 1 1260 . 4 1 1 A 107 107 SER N N 107 117.919 115.835 2.084 1 1 1 . 5 1 1 A 6 6 SER HA H 6 4.523 4.811 -0.288 1 1 3 . 5 1 1 A 6 6 SER CA C 6 58.535 57.900 0.635 1 1 4 . 5 1 1 A 6 6 SER CB C 6 64.106 63.854 0.252 1 1 5 . 5 1 1 A 7 7 GLY H H 7 8.202 8.795 -0.593 1 1 6 . 5 1 1 A 7 7 GLY HA2 H 7 3.881 4.168 -0.287 1 1 7 . 5 1 1 A 7 7 GLY HA3 H 7 3.740 4.172 -0.432 1 1 8 . 5 1 1 A 7 7 GLY CA C 7 44.322 43.908 0.414 1 1 9 . 5 1 1 A 7 7 GLY N N 7 109.573 114.105 -4.532 1 1 10 . 5 1 1 A 8 8 PRO HA H 8 4.641 4.511 0.130 1 1 17 . 5 1 1 A 8 8 PRO C C 8 176.480 176.490 -0.010 1 1 18 . 5 1 1 A 8 8 PRO CA C 8 62.582 62.547 0.035 1 1 19 . 5 1 1 A 8 8 PRO CB C 8 32.331 32.240 0.091 1 1 22 . 5 1 1 A 9 9 SER H H 9 8.061 8.251 -0.190 1 1 23 . 5 1 1 A 9 9 SER HA H 9 4.374 4.545 -0.171 1 1 26 . 5 1 1 A 9 9 SER C C 9 173.090 173.466 -0.376 1 1 27 . 5 1 1 A 9 9 SER CA C 9 58.754 58.258 0.496 1 1 28 . 5 1 1 A 9 9 SER CB C 9 63.667 64.154 -0.487 1 1 29 . 5 1 1 A 9 9 SER N N 9 115.137 117.216 -2.079 1 1 30 . 5 1 1 A 10 10 THR H H 10 8.359 8.491 -0.132 1 1 31 . 5 1 1 A 10 10 THR HA H 10 4.027 4.882 -0.855 1 1 36 . 5 1 1 A 10 10 THR C C 10 175.380 173.115 2.265 1 1 37 . 5 1 1 A 10 10 THR CA C 10 62.781 60.295 2.486 1 1 38 . 5 1 1 A 10 10 THR CB C 10 69.617 71.878 -2.261 1 1 40 . 5 1 1 A 10 10 THR N N 10 115.079 117.474 -2.395 1 1 41 . 5 1 1 A 11 11 VAL H H 11 9.280 8.682 0.598 1 1 42 . 5 1 1 A 11 11 VAL HA H 11 4.097 4.189 -0.092 1 1 50 . 5 1 1 A 11 11 VAL C C 11 175.706 176.240 -0.534 1 1 51 . 5 1 1 A 11 11 VAL CA C 11 61.518 61.079 0.439 1 1 52 . 5 1 1 A 11 11 VAL CB C 11 33.174 32.107 1.067 1 1 55 . 5 1 1 A 11 11 VAL N N 11 131.182 126.052 5.130 1 1 56 . 5 1 1 A 12 12 PRO HA H 12 4.415 4.477 -0.062 1 1 63 . 5 1 1 A 12 12 PRO C C 12 175.612 176.336 -0.724 1 1 64 . 5 1 1 A 12 12 PRO CA C 12 64.850 64.780 0.070 1 1 65 . 5 1 1 A 12 12 PRO CB C 12 32.578 32.279 0.299 1 1 68 . 5 1 1 A 13 13 ILE H H 13 7.251 7.545 -0.294 1 1 69 . 5 1 1 A 13 13 ILE HA H 13 4.439 4.593 -0.154 1 1 79 . 5 1 1 A 13 13 ILE C C 13 170.969 173.177 -2.208 1 1 80 . 5 1 1 A 13 13 ILE CA C 13 59.973 59.444 0.529 1 1 81 . 5 1 1 A 13 13 ILE CB C 13 40.776 41.410 -0.634 1 1 85 . 5 1 1 A 13 13 ILE N N 13 115.827 115.889 -0.062 1 1 86 . 5 1 1 A 14 14 MET H H 14 6.827 8.729 -1.902 1 1 87 . 5 1 1 A 14 14 MET HA H 14 4.961 5.490 -0.529 1 1 95 . 5 1 1 A 14 14 MET C C 14 173.380 174.881 -1.501 1 1 96 . 5 1 1 A 14 14 MET CA C 14 55.214 54.192 1.022 1 1 97 . 5 1 1 A 14 14 MET CB C 14 38.223 36.115 2.108 1 1 100 . 5 1 1 A 14 14 MET N N 14 116.754 125.705 -8.951 1 1 101 . 5 1 1 A 15 15 HIS H H 15 9.417 8.831 0.586 1 1 102 . 5 1 1 A 15 15 HIS HA H 15 4.958 5.185 -0.227 1 1 107 . 5 1 1 A 15 15 HIS C C 15 173.901 173.917 -0.016 1 1 108 . 5 1 1 A 15 15 HIS CA C 15 55.190 54.432 0.758 1 1 109 . 5 1 1 A 15 15 HIS CB C 15 33.361 33.929 -0.568 1 1 112 . 5 1 1 A 15 15 HIS N N 15 118.539 118.088 0.451 1 1 113 . 5 1 1 A 16 16 GLN H H 16 9.164 8.948 0.216 1 1 114 . 5 1 1 A 16 16 GLN HA H 16 4.385 4.418 -0.033 1 1 121 . 5 1 1 A 16 16 GLN C C 16 175.463 174.536 0.927 1 1 122 . 5 1 1 A 16 16 GLN CA C 16 55.992 54.792 1.200 1 1 123 . 5 1 1 A 16 16 GLN CB C 16 29.159 30.685 -1.526 1 1 125 . 5 1 1 A 16 16 GLN N N 16 123.267 122.865 0.402 1 1 127 . 5 1 1 A 17 17 VAL H H 17 8.983 8.831 0.152 1 1 128 . 5 1 1 A 17 17 VAL HA H 17 3.910 4.065 -0.155 1 1 136 . 5 1 1 A 17 17 VAL C C 17 176.328 175.847 0.481 1 1 137 . 5 1 1 A 17 17 VAL CA C 17 63.807 63.732 0.075 1 1 138 . 5 1 1 A 17 17 VAL CB C 17 33.088 32.571 0.517 1 1 141 . 5 1 1 A 17 17 VAL N N 17 128.880 128.245 0.635 1 1 142 . 5 1 1 A 18 18 SER H H 18 7.740 7.679 0.061 1 1 143 . 5 1 1 A 18 18 SER HA H 18 4.589 4.893 -0.304 1 1 146 . 5 1 1 A 18 18 SER C C 18 171.965 172.063 -0.098 1 1 147 . 5 1 1 A 18 18 SER CA C 18 57.441 57.678 -0.237 1 1 148 . 5 1 1 A 18 18 SER CB C 18 64.058 67.352 -3.294 1 1 149 . 5 1 1 A 18 18 SER N N 18 110.447 113.136 -2.689 1 1 150 . 5 1 1 A 19 19 ALA H H 19 8.114 8.346 -0.232 1 1 151 . 5 1 1 A 19 19 ALA HA H 19 5.086 4.841 0.245 1 1 155 . 5 1 1 A 19 19 ALA C C 19 176.404 176.174 0.230 1 1 156 . 5 1 1 A 19 19 ALA CA C 19 52.453 51.502 0.951 1 1 157 . 5 1 1 A 19 19 ALA CB C 19 23.038 23.224 -0.186 1 1 158 . 5 1 1 A 19 19 ALA N N 19 121.116 123.143 -2.027 1 1 159 . 5 1 1 A 20 20 THR H H 20 8.710 8.404 0.306 1 1 160 . 5 1 1 A 20 20 THR HA H 20 4.787 4.858 -0.071 1 1 165 . 5 1 1 A 20 20 THR C C 20 175.596 174.890 0.706 1 1 166 . 5 1 1 A 20 20 THR CA C 20 60.341 59.935 0.406 1 1 167 . 5 1 1 A 20 20 THR CB C 20 71.307 71.052 0.255 1 1 169 . 5 1 1 A 20 20 THR N N 20 110.762 110.900 -0.138 1 1 170 . 5 1 1 A 21 21 MET H H 21 8.686 8.725 -0.039 1 1 171 . 5 1 1 A 21 21 MET HA H 21 4.618 4.331 0.287 1 1 179 . 5 1 1 A 21 21 MET C C 21 174.754 176.658 -1.904 1 1 180 . 5 1 1 A 21 21 MET CA C 21 59.272 57.314 1.958 1 1 181 . 5 1 1 A 21 21 MET CB C 21 34.488 32.692 1.796 1 1 184 . 5 1 1 A 21 21 MET N N 21 118.478 120.012 -1.534 1 1 185 . 5 1 1 A 22 22 ARG H H 22 7.296 7.921 -0.625 1 1 186 . 5 1 1 A 22 22 ARG HA H 22 4.453 4.487 -0.034 1 1 193 . 5 1 1 A 22 22 ARG C C 22 174.722 175.030 -0.308 1 1 194 . 5 1 1 A 22 22 ARG CA C 22 54.218 55.327 -1.109 1 1 195 . 5 1 1 A 22 22 ARG CB C 22 32.509 32.209 0.300 1 1 198 . 5 1 1 A 22 22 ARG N N 22 108.176 117.526 -9.350 1 1 199 . 5 1 1 A 23 23 SER H H 23 7.387 8.043 -0.656 1 1 200 . 5 1 1 A 23 23 SER HA H 23 5.353 5.347 0.006 1 1 203 . 5 1 1 A 23 23 SER C C 23 171.910 172.713 -0.803 1 1 204 . 5 1 1 A 23 23 SER CA C 23 57.230 57.437 -0.207 1 1 205 . 5 1 1 A 23 23 SER CB C 23 68.011 68.294 -0.283 1 1 206 . 5 1 1 A 23 23 SER N N 23 114.861 115.306 -0.445 1 1 207 . 5 1 1 A 24 24 ILE H H 24 8.061 8.745 -0.684 1 1 208 . 5 1 1 A 24 24 ILE HA H 24 4.470 4.717 -0.247 1 1 218 . 5 1 1 A 24 24 ILE C C 24 174.028 174.139 -0.111 1 1 219 . 5 1 1 A 24 24 ILE CA C 24 61.402 60.280 1.122 1 1 220 . 5 1 1 A 24 24 ILE CB C 24 43.249 41.011 2.238 1 1 224 . 5 1 1 A 24 24 ILE N N 24 116.152 121.492 -5.340 1 1 225 . 5 1 1 A 25 25 THR H H 25 8.584 9.295 -0.711 1 1 226 . 5 1 1 A 25 25 THR HA H 25 5.107 4.928 0.179 1 1 231 . 5 1 1 A 25 25 THR C C 25 173.463 173.480 -0.017 1 1 232 . 5 1 1 A 25 25 THR CA C 25 62.127 61.389 0.738 1 1 233 . 5 1 1 A 25 25 THR CB C 25 68.954 70.414 -1.460 1 1 235 . 5 1 1 A 25 25 THR N N 25 122.080 123.598 -1.518 1 1 236 . 5 1 1 A 26 26 LEU H H 26 9.093 8.253 0.840 1 1 237 . 5 1 1 A 26 26 LEU HA H 26 5.427 4.949 0.478 1 1 247 . 5 1 1 A 26 26 LEU C C 26 175.180 175.237 -0.057 1 1 248 . 5 1 1 A 26 26 LEU CA C 26 53.181 53.332 -0.151 1 1 249 . 5 1 1 A 26 26 LEU CB C 26 46.902 46.912 -0.010 1 1 253 . 5 1 1 A 26 26 LEU N N 26 128.231 126.291 1.940 1 1 254 . 5 1 1 A 27 27 SER H H 27 9.260 8.744 0.516 1 1 255 . 5 1 1 A 27 27 SER HA H 27 4.757 4.839 -0.082 1 1 258 . 5 1 1 A 27 27 SER C C 27 172.413 172.704 -0.291 1 1 259 . 5 1 1 A 27 27 SER CA C 27 56.912 56.875 0.037 1 1 260 . 5 1 1 A 27 27 SER CB C 27 66.220 65.715 0.505 1 1 261 . 5 1 1 A 27 27 SER N N 27 115.325 114.828 0.497 1 1 262 . 5 1 1 A 28 28 TRP H H 28 7.430 7.854 -0.424 1 1 263 . 5 1 1 A 28 28 TRP HA H 28 5.212 5.688 -0.476 1 1 272 . 5 1 1 A 28 28 TRP C C 28 171.555 173.494 -1.939 1 1 273 . 5 1 1 A 28 28 TRP CA C 28 55.143 54.464 0.679 1 1 274 . 5 1 1 A 28 28 TRP CB C 28 28.918 32.433 -3.515 1 1 280 . 5 1 1 A 28 28 TRP N N 28 119.703 123.074 -3.371 1 1 282 . 5 1 1 A 29 29 PRO HA H 29 4.543 4.555 -0.012 1 1 289 . 5 1 1 A 29 29 PRO C C 29 175.962 176.437 -0.475 1 1 290 . 5 1 1 A 29 29 PRO CA C 29 61.702 63.051 -1.349 1 1 291 . 5 1 1 A 29 29 PRO CB C 29 32.041 31.975 0.066 1 1 294 . 5 1 1 A 30 30 GLN H H 30 8.248 8.526 -0.278 1 1 295 . 5 1 1 A 30 30 GLN HA H 30 4.654 4.607 0.047 1 1 302 . 5 1 1 A 30 30 GLN C C 30 174.856 174.897 -0.041 1 1 303 . 5 1 1 A 30 30 GLN CA C 30 54.524 54.094 0.430 1 1 304 . 5 1 1 A 30 30 GLN CB C 30 28.623 29.514 -0.891 1 1 306 . 5 1 1 A 30 30 GLN N N 30 117.321 121.602 -4.281 1 1 308 . 5 1 1 A 31 31 PRO HA H 31 4.116 4.779 -0.663 1 1 315 . 5 1 1 A 31 31 PRO C C 31 175.787 176.990 -1.203 1 1 316 . 5 1 1 A 31 31 PRO CA C 31 63.364 63.084 0.280 1 1 317 . 5 1 1 A 31 31 PRO CB C 31 32.503 33.064 -0.561 1 1 320 . 5 1 1 A 32 32 GLU H H 32 8.367 9.070 -0.703 1 1 321 . 5 1 1 A 32 32 GLU HA H 32 4.004 4.572 -0.568 1 1 326 . 5 1 1 A 32 32 GLU C C 32 176.748 176.906 -0.158 1 1 327 . 5 1 1 A 32 32 GLU CA C 32 58.644 56.866 1.778 1 1 328 . 5 1 1 A 32 32 GLU CB C 32 30.271 31.160 -0.889 1 1 330 . 5 1 1 A 32 32 GLU N N 32 122.959 119.781 3.178 1 1 331 . 5 1 1 A 33 33 GLN H H 33 8.220 7.751 0.469 1 1 332 . 5 1 1 A 33 33 GLN HA H 33 4.820 4.842 -0.022 1 1 339 . 5 1 1 A 33 33 GLN C C 33 172.938 174.350 -1.412 1 1 340 . 5 1 1 A 33 33 GLN CA C 33 52.544 53.545 -1.001 1 1 341 . 5 1 1 A 33 33 GLN CB C 33 29.077 29.145 -0.068 1 1 343 . 5 1 1 A 33 33 GLN N N 33 116.413 118.770 -2.357 1 1 345 . 5 1 1 A 34 34 PRO HA H 34 4.039 4.429 -0.390 1 1 352 . 5 1 1 A 34 34 PRO C C 34 175.293 176.651 -1.358 1 1 353 . 5 1 1 A 34 34 PRO CA C 34 64.248 63.675 0.573 1 1 354 . 5 1 1 A 34 34 PRO CB C 34 31.974 32.140 -0.166 1 1 357 . 5 1 1 A 35 35 ASN H H 35 8.478 8.101 0.377 1 1 358 . 5 1 1 A 35 35 ASN HA H 35 4.270 4.402 -0.132 1 1 363 . 5 1 1 A 35 35 ASN C C 35 173.982 174.524 -0.542 1 1 364 . 5 1 1 A 35 35 ASN CA C 35 53.655 54.537 -0.882 1 1 365 . 5 1 1 A 35 35 ASN CB C 35 37.151 37.101 0.050 1 1 366 . 5 1 1 A 35 35 ASN N N 35 111.907 115.136 -3.229 1 1 368 . 5 1 1 A 36 36 GLY H H 36 7.537 7.651 -0.114 1 1 369 . 5 1 1 A 36 36 GLY HA2 H 36 4.247 3.995 0.252 1 1 370 . 5 1 1 A 36 36 GLY HA3 H 36 3.749 4.004 -0.255 1 1 371 . 5 1 1 A 36 36 GLY C C 36 172.062 172.447 -0.385 1 1 372 . 5 1 1 A 36 36 GLY CA C 36 44.147 44.726 -0.579 1 1 373 . 5 1 1 A 36 36 GLY N N 36 105.149 107.067 -1.918 1 1 374 . 5 1 1 A 37 37 ILE H H 37 8.107 8.563 -0.456 1 1 375 . 5 1 1 A 37 37 ILE HA H 37 4.017 3.993 0.024 1 1 385 . 5 1 1 A 37 37 ILE C C 37 176.534 175.578 0.956 1 1 386 . 5 1 1 A 37 37 ILE CA C 37 60.331 62.109 -1.778 1 1 387 . 5 1 1 A 37 37 ILE CB C 37 38.929 37.743 1.186 1 1 391 . 5 1 1 A 37 37 ILE N N 37 120.104 121.458 -1.354 1 1 392 . 5 1 1 A 38 38 ILE H H 38 8.678 8.811 -0.133 1 1 393 . 5 1 1 A 38 38 ILE HA H 38 3.695 4.302 -0.607 1 1 403 . 5 1 1 A 38 38 ILE C C 38 176.027 175.344 0.683 1 1 404 . 5 1 1 A 38 38 ILE CA C 38 61.811 60.661 1.150 1 1 405 . 5 1 1 A 38 38 ILE CB C 38 37.028 37.072 -0.044 1 1 409 . 5 1 1 A 38 38 ILE N N 38 127.591 126.835 0.756 1 1 410 . 5 1 1 A 39 39 LEU H H 39 9.054 8.728 0.326 1 1 411 . 5 1 1 A 39 39 LEU HA H 39 4.188 3.941 0.247 1 1 421 . 5 1 1 A 39 39 LEU C C 39 176.826 176.495 0.331 1 1 422 . 5 1 1 A 39 39 LEU CA C 39 56.416 57.752 -1.336 1 1 423 . 5 1 1 A 39 39 LEU CB C 39 42.664 42.084 0.580 1 1 427 . 5 1 1 A 39 39 LEU N N 39 130.577 129.621 0.956 1 1 428 . 5 1 1 A 40 40 ASP H H 40 7.502 7.501 0.001 1 1 429 . 5 1 1 A 40 40 ASP HA H 40 4.392 4.788 -0.396 1 1 432 . 5 1 1 A 40 40 ASP C C 40 171.781 172.353 -0.572 1 1 433 . 5 1 1 A 40 40 ASP CA C 40 52.884 52.724 0.160 1 1 434 . 5 1 1 A 40 40 ASP CB C 40 41.985 42.176 -0.191 1 1 435 . 5 1 1 A 40 40 ASP N N 40 112.731 113.132 -0.401 1 1 436 . 5 1 1 A 41 41 TYR H H 41 8.974 8.638 0.336 1 1 437 . 5 1 1 A 41 41 TYR HA H 41 5.379 5.343 0.036 1 1 444 . 5 1 1 A 41 41 TYR C C 41 175.555 174.551 1.004 1 1 445 . 5 1 1 A 41 41 TYR CA C 41 56.574 56.623 -0.049 1 1 446 . 5 1 1 A 41 41 TYR CB C 41 42.213 42.053 0.160 1 1 449 . 5 1 1 A 41 41 TYR N N 41 111.324 116.209 -4.885 1 1 450 . 5 1 1 A 42 42 GLU H H 42 9.184 9.211 -0.027 1 1 451 . 5 1 1 A 42 42 GLU HA H 42 5.066 5.148 -0.082 1 1 456 . 5 1 1 A 42 42 GLU C C 42 174.368 175.221 -0.853 1 1 457 . 5 1 1 A 42 42 GLU CA C 42 55.126 55.400 -0.274 1 1 458 . 5 1 1 A 42 42 GLU CB C 42 33.471 32.004 1.467 1 1 460 . 5 1 1 A 42 42 GLU N N 42 120.875 124.365 -3.490 1 1 461 . 5 1 1 A 43 43 ILE H H 43 9.355 8.985 0.370 1 1 462 . 5 1 1 A 43 43 ILE HA H 43 4.853 5.359 -0.506 1 1 472 . 5 1 1 A 43 43 ILE C C 43 174.430 174.456 -0.026 1 1 473 . 5 1 1 A 43 43 ILE CA C 43 60.323 60.532 -0.209 1 1 474 . 5 1 1 A 43 43 ILE CB C 43 40.297 40.879 -0.582 1 1 478 . 5 1 1 A 43 43 ILE N N 43 126.045 126.271 -0.226 1 1 479 . 5 1 1 A 44 44 ARG H H 44 9.097 8.803 0.294 1 1 480 . 5 1 1 A 44 44 ARG HA H 44 5.545 5.007 0.538 1 1 487 . 5 1 1 A 44 44 ARG C C 44 175.523 174.525 0.998 1 1 488 . 5 1 1 A 44 44 ARG CA C 44 54.386 54.407 -0.021 1 1 489 . 5 1 1 A 44 44 ARG CB C 44 34.638 32.689 1.949 1 1 492 . 5 1 1 A 44 44 ARG N N 44 127.831 129.587 -1.756 1 1 493 . 5 1 1 A 45 45 TYR H H 45 8.893 8.317 0.576 1 1 494 . 5 1 1 A 45 45 TYR HA H 45 6.272 5.937 0.335 1 1 501 . 5 1 1 A 45 45 TYR C C 45 173.560 173.603 -0.043 1 1 502 . 5 1 1 A 45 45 TYR CA C 45 54.767 55.334 -0.567 1 1 503 . 5 1 1 A 45 45 TYR CB C 45 43.168 41.971 1.197 1 1 508 . 5 1 1 A 45 45 TYR N N 45 123.683 123.858 -0.175 1 1 509 . 5 1 1 A 46 46 TYR H H 46 8.479 8.787 -0.308 1 1 510 . 5 1 1 A 46 46 TYR HA H 46 5.048 5.208 -0.160 1 1 517 . 5 1 1 A 46 46 TYR C C 46 173.870 174.428 -0.558 1 1 518 . 5 1 1 A 46 46 TYR CA C 46 55.485 55.901 -0.416 1 1 519 . 5 1 1 A 46 46 TYR CB C 46 39.975 41.427 -1.452 1 1 524 . 5 1 1 A 46 46 TYR N N 46 114.778 117.759 -2.981 1 1 525 . 5 1 1 A 47 47 GLU H H 47 9.111 8.506 0.605 1 1 526 . 5 1 1 A 47 47 GLU HA H 47 3.819 3.567 0.252 1 1 531 . 5 1 1 A 47 47 GLU C C 47 177.764 177.443 0.321 1 1 532 . 5 1 1 A 47 47 GLU CA C 47 57.123 56.851 0.272 1 1 533 . 5 1 1 A 47 47 GLU CB C 47 29.773 29.555 0.218 1 1 535 . 5 1 1 A 47 47 GLU N N 47 122.069 122.450 -0.381 1 1 536 . 5 1 1 A 48 48 LYS H H 48 8.246 8.260 -0.014 1 1 537 . 5 1 1 A 48 48 LYS HA H 48 3.722 3.991 -0.269 1 1 546 . 5 1 1 A 48 48 LYS C C 48 176.588 177.687 -1.099 1 1 547 . 5 1 1 A 48 48 LYS CA C 48 59.774 58.901 0.873 1 1 548 . 5 1 1 A 48 48 LYS CB C 48 33.032 32.447 0.585 1 1 552 . 5 1 1 A 48 48 LYS N N 48 122.857 124.584 -1.727 1 1 553 . 5 1 1 A 49 49 GLU H H 49 8.192 7.777 0.415 1 1 554 . 5 1 1 A 49 49 GLU HA H 49 4.216 4.430 -0.214 1 1 559 . 5 1 1 A 49 49 GLU C C 49 176.987 176.026 0.961 1 1 560 . 5 1 1 A 49 49 GLU CA C 49 57.447 56.518 0.929 1 1 561 . 5 1 1 A 49 49 GLU CB C 49 28.987 30.046 -1.059 1 1 563 . 5 1 1 A 49 49 GLU N N 49 114.305 116.395 -2.090 1 1 564 . 5 1 1 A 50 50 HIS H H 50 8.329 7.999 0.330 1 1 565 . 5 1 1 A 50 50 HIS HA H 50 4.928 5.005 -0.077 1 1 570 . 5 1 1 A 50 50 HIS C C 50 173.255 174.181 -0.926 1 1 571 . 5 1 1 A 50 50 HIS CA C 50 54.372 54.859 -0.487 1 1 572 . 5 1 1 A 50 50 HIS CB C 50 31.082 34.182 -3.100 1 1 575 . 5 1 1 A 50 50 HIS N N 50 120.021 118.009 2.012 1 1 576 . 5 1 1 A 51 51 ASN H H 51 7.687 8.297 -0.610 1 1 577 . 5 1 1 A 51 51 ASN HA H 51 4.259 4.727 -0.468 1 1 582 . 5 1 1 A 51 51 ASN C C 51 174.779 176.047 -1.268 1 1 583 . 5 1 1 A 51 51 ASN CA C 51 52.561 50.542 2.019 1 1 584 . 5 1 1 A 51 51 ASN CB C 51 39.474 40.218 -0.744 1 1 585 . 5 1 1 A 51 51 ASN N N 51 114.158 117.040 -2.882 1 1 587 . 5 1 1 A 52 52 GLU H H 52 8.551 8.700 -0.149 1 1 588 . 5 1 1 A 52 52 GLU HA H 52 2.797 3.601 -0.804 1 1 593 . 5 1 1 A 52 52 GLU C C 52 177.117 178.646 -1.529 1 1 594 . 5 1 1 A 52 52 GLU CA C 52 58.155 59.146 -0.991 1 1 595 . 5 1 1 A 52 52 GLU CB C 52 28.912 29.455 -0.543 1 1 597 . 5 1 1 A 52 52 GLU N N 52 117.019 119.060 -2.041 1 1 598 . 5 1 1 A 53 53 PHE H H 53 7.855 8.354 -0.499 1 1 599 . 5 1 1 A 53 53 PHE HA H 53 4.371 4.006 0.365 1 1 607 . 5 1 1 A 53 53 PHE C C 53 175.783 177.073 -1.290 1 1 608 . 5 1 1 A 53 53 PHE CA C 53 58.785 61.865 -3.080 1 1 609 . 5 1 1 A 53 53 PHE CB C 53 37.747 39.065 -1.318 1 1 615 . 5 1 1 A 53 53 PHE N N 53 119.462 121.034 -1.572 1 1 616 . 5 1 1 A 54 54 ASN H H 54 7.744 7.941 -0.197 1 1 617 . 5 1 1 A 54 54 ASN HA H 54 4.948 4.818 0.130 1 1 622 . 5 1 1 A 54 54 ASN C C 54 173.922 173.803 0.119 1 1 623 . 5 1 1 A 54 54 ASN CA C 54 52.102 52.460 -0.358 1 1 624 . 5 1 1 A 54 54 ASN CB C 54 38.637 36.777 1.860 1 1 625 . 5 1 1 A 54 54 ASN N N 54 120.451 116.069 4.382 1 1 627 . 5 1 1 A 55 55 SER H H 55 7.469 8.091 -0.622 1 1 628 . 5 1 1 A 55 55 SER HA H 55 4.710 5.072 -0.362 1 1 631 . 5 1 1 A 55 55 SER C C 55 173.922 172.214 1.708 1 1 632 . 5 1 1 A 55 55 SER CA C 55 57.883 56.813 1.070 1 1 633 . 5 1 1 A 55 55 SER CB C 55 66.064 66.958 -0.894 1 1 634 . 5 1 1 A 55 55 SER N N 55 113.429 114.138 -0.709 1 1 635 . 5 1 1 A 56 56 SER H H 56 8.458 8.160 0.298 1 1 636 . 5 1 1 A 56 56 SER HA H 56 4.632 5.053 -0.421 1 1 639 . 5 1 1 A 56 56 SER C C 56 171.119 173.067 -1.948 1 1 640 . 5 1 1 A 56 56 SER CA C 56 57.866 57.163 0.703 1 1 641 . 5 1 1 A 56 56 SER CB C 56 65.164 64.728 0.436 1 1 642 . 5 1 1 A 56 56 SER N N 56 116.653 117.241 -0.588 1 1 643 . 5 1 1 A 57 57 MET H H 57 8.355 8.940 -0.585 1 1 644 . 5 1 1 A 57 57 MET HA H 57 5.776 5.488 0.288 1 1 652 . 5 1 1 A 57 57 MET C C 57 175.771 175.529 0.242 1 1 653 . 5 1 1 A 57 57 MET CA C 57 53.913 53.864 0.049 1 1 654 . 5 1 1 A 57 57 MET CB C 57 36.115 34.159 1.956 1 1 657 . 5 1 1 A 57 57 MET N N 57 119.463 124.274 -4.811 1 1 658 . 5 1 1 A 58 58 ALA H H 58 9.547 9.292 0.255 1 1 659 . 5 1 1 A 58 58 ALA HA H 58 4.890 5.256 -0.366 1 1 663 . 5 1 1 A 58 58 ALA C C 58 175.328 175.973 -0.645 1 1 664 . 5 1 1 A 58 58 ALA CA C 58 50.829 50.973 -0.144 1 1 665 . 5 1 1 A 58 58 ALA CB C 58 22.649 22.586 0.063 1 1 666 . 5 1 1 A 58 58 ALA N N 58 127.410 122.984 4.426 1 1 667 . 5 1 1 A 59 59 ARG H H 59 8.776 8.799 -0.023 1 1 668 . 5 1 1 A 59 59 ARG HA H 59 5.567 5.269 0.298 1 1 675 . 5 1 1 A 59 59 ARG C C 59 176.336 175.322 1.014 1 1 676 . 5 1 1 A 59 59 ARG CA C 59 54.843 55.319 -0.476 1 1 677 . 5 1 1 A 59 59 ARG CB C 59 33.691 32.494 1.197 1 1 680 . 5 1 1 A 59 59 ARG N N 59 119.945 123.776 -3.831 1 1 681 . 5 1 1 A 60 60 SER H H 60 8.919 8.600 0.319 1 1 682 . 5 1 1 A 60 60 SER HA H 60 5.011 5.266 -0.255 1 1 685 . 5 1 1 A 60 60 SER C C 60 174.614 173.619 0.995 1 1 686 . 5 1 1 A 60 60 SER CA C 60 56.752 56.847 -0.095 1 1 687 . 5 1 1 A 60 60 SER CB C 60 66.198 65.769 0.429 1 1 688 . 5 1 1 A 60 60 SER N N 60 115.274 115.301 -0.027 1 1 689 . 5 1 1 A 61 61 GLN H H 61 9.367 8.685 0.682 1 1 690 . 5 1 1 A 61 61 GLN HA H 61 4.556 4.579 -0.023 1 1 697 . 5 1 1 A 61 61 GLN C C 61 175.391 175.215 0.176 1 1 698 . 5 1 1 A 61 61 GLN CA C 61 57.664 56.578 1.086 1 1 699 . 5 1 1 A 61 61 GLN CB C 61 29.763 29.233 0.530 1 1 701 . 5 1 1 A 61 61 GLN N N 61 124.808 123.681 1.127 1 1 703 . 5 1 1 A 62 62 THR H H 62 8.075 7.585 0.490 1 1 704 . 5 1 1 A 62 62 THR HA H 62 4.918 4.621 0.297 1 1 709 . 5 1 1 A 62 62 THR C C 62 173.106 173.038 0.068 1 1 710 . 5 1 1 A 62 62 THR CA C 62 59.369 60.423 -1.054 1 1 711 . 5 1 1 A 62 62 THR CB C 62 70.607 69.561 1.046 1 1 713 . 5 1 1 A 62 62 THR N N 62 110.260 113.806 -3.546 1 1 714 . 5 1 1 A 63 63 ASN H H 63 8.575 8.448 0.127 1 1 715 . 5 1 1 A 63 63 ASN HA H 63 3.457 4.009 -0.552 1 1 720 . 5 1 1 A 63 63 ASN C C 63 172.343 173.545 -1.202 1 1 721 . 5 1 1 A 63 63 ASN CA C 63 53.270 52.965 0.305 1 1 722 . 5 1 1 A 63 63 ASN CB C 63 34.441 38.384 -3.943 1 1 723 . 5 1 1 A 63 63 ASN N N 63 119.090 121.189 -2.099 1 1 725 . 5 1 1 A 64 64 THR H H 64 6.850 7.265 -0.415 1 1 726 . 5 1 1 A 64 64 THR HA H 64 4.296 4.152 0.144 1 1 731 . 5 1 1 A 64 64 THR C C 64 172.238 172.464 -0.226 1 1 732 . 5 1 1 A 64 64 THR CA C 64 60.501 60.210 0.291 1 1 733 . 5 1 1 A 64 64 THR CB C 64 71.252 70.892 0.360 1 1 735 . 5 1 1 A 64 64 THR N N 64 111.612 114.062 -2.450 1 1 736 . 5 1 1 A 65 65 ALA H H 65 8.619 8.809 -0.190 1 1 737 . 5 1 1 A 65 65 ALA HA H 65 4.595 5.090 -0.495 1 1 741 . 5 1 1 A 65 65 ALA C C 65 174.046 174.578 -0.532 1 1 742 . 5 1 1 A 65 65 ALA CA C 65 52.102 51.239 0.863 1 1 743 . 5 1 1 A 65 65 ALA CB C 65 22.427 22.963 -0.536 1 1 744 . 5 1 1 A 65 65 ALA N N 65 124.370 130.343 -5.973 1 1 745 . 5 1 1 A 66 66 ARG H H 66 8.533 8.790 -0.257 1 1 746 . 5 1 1 A 66 66 ARG HA H 66 4.973 5.117 -0.144 1 1 753 . 5 1 1 A 66 66 ARG C C 66 175.240 174.868 0.372 1 1 754 . 5 1 1 A 66 66 ARG CA C 66 54.560 54.789 -0.229 1 1 755 . 5 1 1 A 66 66 ARG CB C 66 32.088 32.346 -0.258 1 1 758 . 5 1 1 A 66 66 ARG N N 66 122.633 122.951 -0.318 1 1 759 . 5 1 1 A 67 67 ILE H H 67 8.967 9.076 -0.109 1 1 760 . 5 1 1 A 67 67 ILE HA H 67 4.013 4.548 -0.535 1 1 770 . 5 1 1 A 67 67 ILE C C 67 174.026 174.946 -0.920 1 1 771 . 5 1 1 A 67 67 ILE CA C 67 60.377 59.716 0.661 1 1 772 . 5 1 1 A 67 67 ILE CB C 67 38.044 38.334 -0.290 1 1 776 . 5 1 1 A 67 67 ILE N N 67 128.560 126.988 1.572 1 1 777 . 5 1 1 A 68 68 ASP H H 68 8.117 8.567 -0.450 1 1 778 . 5 1 1 A 68 68 ASP HA H 68 5.060 5.219 -0.159 1 1 781 . 5 1 1 A 68 68 ASP C C 68 175.792 175.862 -0.070 1 1 782 . 5 1 1 A 68 68 ASP CA C 68 52.474 52.124 0.350 1 1 783 . 5 1 1 A 68 68 ASP CB C 68 44.116 44.137 -0.021 1 1 784 . 5 1 1 A 68 68 ASP N N 68 125.243 125.157 0.086 1 1 785 . 5 1 1 A 69 69 GLY H H 69 8.568 8.440 0.128 1 1 786 . 5 1 1 A 69 69 GLY HA2 H 69 3.951 3.904 0.047 1 1 787 . 5 1 1 A 69 69 GLY HA3 H 69 3.830 3.915 -0.085 1 1 788 . 5 1 1 A 69 69 GLY C C 69 175.359 173.890 1.469 1 1 789 . 5 1 1 A 69 69 GLY CA C 69 46.356 46.230 0.126 1 1 790 . 5 1 1 A 69 69 GLY N N 69 105.736 110.992 -5.256 1 1 791 . 5 1 1 A 70 70 LEU H H 70 7.982 7.936 0.046 1 1 792 . 5 1 1 A 70 70 LEU HA H 70 4.356 4.763 -0.407 1 1 802 . 5 1 1 A 70 70 LEU C C 70 175.151 175.323 -0.172 1 1 803 . 5 1 1 A 70 70 LEU CA C 70 53.110 52.845 0.265 1 1 804 . 5 1 1 A 70 70 LEU CB C 70 40.992 44.092 -3.100 1 1 808 . 5 1 1 A 70 70 LEU N N 70 118.817 119.609 -0.792 1 1 809 . 5 1 1 A 71 71 ARG H H 71 8.148 8.160 -0.012 1 1 810 . 5 1 1 A 71 71 ARG HA H 71 4.922 4.821 0.101 1 1 817 . 5 1 1 A 71 71 ARG C C 71 174.419 173.776 0.643 1 1 818 . 5 1 1 A 71 71 ARG CA C 71 53.534 52.790 0.744 1 1 819 . 5 1 1 A 71 71 ARG CB C 71 32.001 31.552 0.449 1 1 822 . 5 1 1 A 71 71 ARG N N 71 118.182 119.464 -1.282 1 1 823 . 5 1 1 A 72 72 PRO HA H 72 5.168 4.655 0.513 1 1 830 . 5 1 1 A 72 72 PRO C C 72 178.121 177.596 0.525 1 1 831 . 5 1 1 A 72 72 PRO CA C 72 63.416 63.604 -0.188 1 1 832 . 5 1 1 A 72 72 PRO CB C 72 32.908 31.614 1.294 1 1 835 . 5 1 1 A 73 73 GLY H H 73 7.705 8.650 -0.945 1 1 836 . 5 1 1 A 73 73 GLY HA2 H 73 3.856 3.956 -0.100 1 1 837 . 5 1 1 A 73 73 GLY HA3 H 73 3.508 3.960 -0.452 1 1 838 . 5 1 1 A 73 73 GLY C C 73 173.685 174.039 -0.354 1 1 839 . 5 1 1 A 73 73 GLY CA C 73 46.731 46.389 0.342 1 1 840 . 5 1 1 A 73 73 GLY N N 73 112.669 111.879 0.790 1 1 841 . 5 1 1 A 74 74 MET H H 74 7.511 7.381 0.130 1 1 842 . 5 1 1 A 74 74 MET HA H 74 4.742 5.006 -0.264 1 1 850 . 5 1 1 A 74 74 MET C C 74 173.525 174.776 -1.251 1 1 851 . 5 1 1 A 74 74 MET CA C 74 53.216 54.438 -1.222 1 1 852 . 5 1 1 A 74 74 MET CB C 74 33.610 37.021 -3.411 1 1 855 . 5 1 1 A 74 74 MET N N 74 119.820 118.570 1.250 1 1 856 . 5 1 1 A 75 75 VAL H H 75 7.651 8.532 -0.881 1 1 857 . 5 1 1 A 75 75 VAL HA H 75 4.361 4.843 -0.482 1 1 865 . 5 1 1 A 75 75 VAL C C 75 174.677 174.968 -0.291 1 1 866 . 5 1 1 A 75 75 VAL CA C 75 61.581 61.733 -0.152 1 1 867 . 5 1 1 A 75 75 VAL CB C 75 32.345 33.025 -0.680 1 1 870 . 5 1 1 A 75 75 VAL N N 75 121.287 122.092 -0.805 1 1 871 . 5 1 1 A 76 76 TYR H H 76 9.405 9.026 0.379 1 1 872 . 5 1 1 A 76 76 TYR HA H 76 4.743 5.012 -0.269 1 1 879 . 5 1 1 A 76 76 TYR C C 76 174.740 175.084 -0.344 1 1 880 . 5 1 1 A 76 76 TYR CA C 76 57.424 56.468 0.956 1 1 881 . 5 1 1 A 76 76 TYR CB C 76 41.151 41.434 -0.283 1 1 886 . 5 1 1 A 76 76 TYR N N 76 126.231 125.517 0.714 1 1 887 . 5 1 1 A 77 77 VAL H H 77 8.867 8.176 0.691 1 1 888 . 5 1 1 A 77 77 VAL HA H 77 4.318 4.254 0.064 1 1 896 . 5 1 1 A 77 77 VAL C C 77 175.773 175.255 0.518 1 1 897 . 5 1 1 A 77 77 VAL CA C 77 61.473 62.827 -1.354 1 1 898 . 5 1 1 A 77 77 VAL CB C 77 31.218 30.488 0.730 1 1 901 . 5 1 1 A 77 77 VAL N N 77 123.699 124.601 -0.902 1 1 902 . 5 1 1 A 78 78 VAL H H 78 8.683 8.512 0.171 1 1 903 . 5 1 1 A 78 78 VAL HA H 78 4.995 4.912 0.083 1 1 911 . 5 1 1 A 78 78 VAL C C 78 175.275 175.018 0.257 1 1 912 . 5 1 1 A 78 78 VAL CA C 78 60.942 61.132 -0.190 1 1 913 . 5 1 1 A 78 78 VAL CB C 78 34.790 33.285 1.505 1 1 916 . 5 1 1 A 78 78 VAL N N 78 124.155 128.585 -4.430 1 1 917 . 5 1 1 A 79 79 GLN H H 79 8.613 8.238 0.375 1 1 918 . 5 1 1 A 79 79 GLN HA H 79 4.511 5.052 -0.541 1 1 925 . 5 1 1 A 79 79 GLN C C 79 173.361 174.335 -0.974 1 1 926 . 5 1 1 A 79 79 GLN CA C 79 54.666 54.375 0.291 1 1 927 . 5 1 1 A 79 79 GLN CB C 79 36.751 33.220 3.531 1 1 929 . 5 1 1 A 79 79 GLN N N 79 121.693 124.230 -2.537 1 1 931 . 5 1 1 A 80 80 VAL H H 80 9.019 8.776 0.243 1 1 932 . 5 1 1 A 80 80 VAL HA H 80 5.801 5.315 0.486 1 1 940 . 5 1 1 A 80 80 VAL C C 80 174.526 173.912 0.614 1 1 941 . 5 1 1 A 80 80 VAL CA C 80 58.750 59.348 -0.598 1 1 942 . 5 1 1 A 80 80 VAL CB C 80 35.479 35.148 0.331 1 1 945 . 5 1 1 A 80 80 VAL N N 80 118.559 119.811 -1.252 1 1 946 . 5 1 1 A 81 81 ARG H H 81 9.199 8.643 0.556 1 1 947 . 5 1 1 A 81 81 ARG HA H 81 4.951 5.018 -0.067 1 1 955 . 5 1 1 A 81 81 ARG C C 81 172.660 174.201 -1.541 1 1 956 . 5 1 1 A 81 81 ARG CA C 81 54.295 53.724 0.571 1 1 957 . 5 1 1 A 81 81 ARG CB C 81 33.750 33.896 -0.146 1 1 960 . 5 1 1 A 81 81 ARG N N 81 125.225 125.712 -0.487 1 1 962 . 5 1 1 A 82 82 ALA H H 82 8.762 8.825 -0.063 1 1 963 . 5 1 1 A 82 82 ALA HA H 82 4.820 5.175 -0.355 1 1 967 . 5 1 1 A 82 82 ALA C C 82 174.783 175.331 -0.548 1 1 968 . 5 1 1 A 82 82 ALA CA C 82 50.741 50.276 0.465 1 1 969 . 5 1 1 A 82 82 ALA CB C 82 22.383 20.854 1.529 1 1 970 . 5 1 1 A 82 82 ALA N N 82 124.292 122.844 1.448 1 1 971 . 5 1 1 A 83 83 ARG H H 83 8.336 8.362 -0.026 1 1 972 . 5 1 1 A 83 83 ARG HA H 83 4.737 4.810 -0.073 1 1 980 . 5 1 1 A 83 83 ARG C C 83 175.290 175.389 -0.099 1 1 981 . 5 1 1 A 83 83 ARG CA C 83 55.727 54.661 1.066 1 1 982 . 5 1 1 A 83 83 ARG CB C 83 34.562 31.436 3.126 1 1 985 . 5 1 1 A 83 83 ARG N N 83 121.023 124.790 -3.767 1 1 987 . 5 1 1 A 84 84 THR H H 84 8.485 9.026 -0.541 1 1 988 . 5 1 1 A 84 84 THR HA H 84 4.875 4.907 -0.032 1 1 993 . 5 1 1 A 84 84 THR C C 84 176.218 175.335 0.883 1 1 994 . 5 1 1 A 84 84 THR CA C 84 59.475 59.399 0.076 1 1 995 . 5 1 1 A 84 84 THR CB C 84 72.440 72.204 0.236 1 1 997 . 5 1 1 A 84 84 THR N N 84 116.374 117.181 -0.807 1 1 998 . 5 1 1 A 85 85 VAL H H 85 9.283 8.674 0.609 1 1 999 . 5 1 1 A 85 85 VAL HA H 85 3.794 3.860 -0.066 1 1 1007 . 5 1 1 A 85 85 VAL C C 85 175.930 177.074 -1.144 1 1 1008 . 5 1 1 A 85 85 VAL CA C 85 64.934 64.475 0.459 1 1 1009 . 5 1 1 A 85 85 VAL CB C 85 31.621 31.650 -0.029 1 1 1012 . 5 1 1 A 85 85 VAL N N 85 119.099 122.201 -3.102 1 1 1013 . 5 1 1 A 86 86 ALA H H 86 7.840 7.472 0.368 1 1 1014 . 5 1 1 A 86 86 ALA HA H 86 4.242 4.221 0.021 1 1 1018 . 5 1 1 A 86 86 ALA C C 86 177.467 177.250 0.217 1 1 1019 . 5 1 1 A 86 86 ALA CA C 86 52.774 53.535 -0.761 1 1 1020 . 5 1 1 A 86 86 ALA CB C 86 19.733 20.064 -0.331 1 1 1021 . 5 1 1 A 86 86 ALA N N 86 121.263 122.368 -1.105 1 1 1022 . 5 1 1 A 87 87 GLY H H 87 7.365 6.766 0.599 1 1 1023 . 5 1 1 A 87 87 GLY HA2 H 87 4.402 4.048 0.354 1 1 1024 . 5 1 1 A 87 87 GLY HA3 H 87 3.588 4.087 -0.499 1 1 1025 . 5 1 1 A 87 87 GLY C C 87 171.960 170.839 1.121 1 1 1026 . 5 1 1 A 87 87 GLY CA C 87 44.170 46.168 -1.998 1 1 1027 . 5 1 1 A 87 87 GLY N N 87 105.736 102.026 3.710 1 1 1028 . 5 1 1 A 88 88 TYR H H 88 8.444 8.580 -0.136 1 1 1029 . 5 1 1 A 88 88 TYR HA H 88 5.063 5.127 -0.064 1 1 1036 . 5 1 1 A 88 88 TYR C C 88 179.239 176.189 3.050 1 1 1037 . 5 1 1 A 88 88 TYR CA C 88 58.308 56.062 2.246 1 1 1038 . 5 1 1 A 88 88 TYR CB C 88 41.442 40.470 0.972 1 1 1043 . 5 1 1 A 88 88 TYR N N 88 116.996 120.441 -3.445 1 1 1044 . 5 1 1 A 89 89 GLY H H 89 8.676 8.682 -0.006 1 1 1045 . 5 1 1 A 89 89 GLY HA2 H 89 4.324 4.054 0.270 1 1 1046 . 5 1 1 A 89 89 GLY HA3 H 89 3.973 4.067 -0.094 1 1 1047 . 5 1 1 A 89 89 GLY C C 89 173.844 172.864 0.980 1 1 1048 . 5 1 1 A 89 89 GLY CA C 89 43.916 44.435 -0.519 1 1 1049 . 5 1 1 A 89 89 GLY N N 89 107.850 112.323 -4.473 1 1 1050 . 5 1 1 A 90 90 LYS H H 90 8.711 8.364 0.347 1 1 1051 . 5 1 1 A 90 90 LYS HA H 90 4.166 4.157 0.009 1 1 1060 . 5 1 1 A 90 90 LYS C C 90 177.819 177.245 0.574 1 1 1061 . 5 1 1 A 90 90 LYS CA C 90 56.162 56.139 0.023 1 1 1062 . 5 1 1 A 90 90 LYS CB C 90 32.730 32.867 -0.137 1 1 1066 . 5 1 1 A 90 90 LYS N N 90 119.382 119.616 -0.234 1 1 1067 . 5 1 1 A 91 91 PHE H H 91 8.698 8.750 -0.052 1 1 1068 . 5 1 1 A 91 91 PHE HA H 91 4.241 4.832 -0.591 1 1 1076 . 5 1 1 A 91 91 PHE C C 91 176.805 176.041 0.764 1 1 1077 . 5 1 1 A 91 91 PHE CA C 91 61.027 58.618 2.409 1 1 1078 . 5 1 1 A 91 91 PHE CB C 91 39.995 39.489 0.506 1 1 1084 . 5 1 1 A 91 91 PHE N N 91 120.691 121.654 -0.963 1 1 1085 . 5 1 1 A 92 92 SER H H 92 8.311 8.849 -0.538 1 1 1086 . 5 1 1 A 92 92 SER HA H 92 4.259 4.609 -0.350 1 1 1089 . 5 1 1 A 92 92 SER C C 92 173.499 174.809 -1.310 1 1 1090 . 5 1 1 A 92 92 SER CA C 92 58.146 57.699 0.447 1 1 1091 . 5 1 1 A 92 92 SER CB C 92 65.329 64.969 0.360 1 1 1092 . 5 1 1 A 92 92 SER N N 92 115.098 116.570 -1.472 1 1 1093 . 5 1 1 A 93 93 GLY H H 93 8.869 8.533 0.336 1 1 1094 . 5 1 1 A 93 93 GLY HA2 H 93 4.071 3.976 0.095 1 1 1095 . 5 1 1 A 93 93 GLY HA3 H 93 3.780 3.988 -0.208 1 1 1096 . 5 1 1 A 93 93 GLY C C 93 174.375 174.097 0.278 1 1 1097 . 5 1 1 A 93 93 GLY CA C 93 45.331 45.986 -0.655 1 1 1098 . 5 1 1 A 93 93 GLY N N 93 106.252 108.361 -2.109 1 1 1099 . 5 1 1 A 94 94 LYS H H 94 8.619 8.448 0.171 1 1 1100 . 5 1 1 A 94 94 LYS HA H 94 3.633 4.113 -0.480 1 1 1109 . 5 1 1 A 94 94 LYS C C 94 176.004 176.283 -0.279 1 1 1110 . 5 1 1 A 94 94 LYS CA C 94 59.068 57.566 1.502 1 1 1111 . 5 1 1 A 94 94 LYS CB C 94 33.072 33.060 0.012 1 1 1115 . 5 1 1 A 94 94 LYS N N 94 122.645 124.430 -1.785 1 1 1116 . 5 1 1 A 95 95 MET H H 95 7.547 8.653 -1.106 1 1 1117 . 5 1 1 A 95 95 MET HA H 95 4.520 4.883 -0.363 1 1 1125 . 5 1 1 A 95 95 MET C C 95 173.400 173.838 -0.438 1 1 1126 . 5 1 1 A 95 95 MET CA C 95 54.701 54.019 0.682 1 1 1127 . 5 1 1 A 95 95 MET CB C 95 37.784 36.057 1.727 1 1 1130 . 5 1 1 A 95 95 MET N N 95 122.392 121.772 0.620 1 1 1131 . 5 1 1 A 96 96 CYS H H 96 7.888 8.717 -0.829 1 1 1132 . 5 1 1 A 96 96 CYS HA H 96 5.465 5.127 0.338 1 1 1135 . 5 1 1 A 96 96 CYS C C 96 173.757 172.984 0.773 1 1 1136 . 5 1 1 A 96 96 CYS CA C 96 57.353 57.109 0.244 1 1 1137 . 5 1 1 A 96 96 CYS CB C 96 29.941 29.432 0.509 1 1 1138 . 5 1 1 A 96 96 CYS N N 96 117.124 121.666 -4.542 1 1 1139 . 5 1 1 A 97 97 PHE H H 97 9.133 8.740 0.393 1 1 1140 . 5 1 1 A 97 97 PHE HA H 97 4.879 5.162 -0.283 1 1 1148 . 5 1 1 A 97 97 PHE C C 97 173.309 174.322 -1.013 1 1 1149 . 5 1 1 A 97 97 PHE CA C 97 56.983 56.444 0.539 1 1 1150 . 5 1 1 A 97 97 PHE CB C 97 44.074 42.060 2.014 1 1 1156 . 5 1 1 A 97 97 PHE N N 97 121.239 122.885 -1.646 1 1 1157 . 5 1 1 A 98 98 GLN H H 98 8.884 9.066 -0.182 1 1 1158 . 5 1 1 A 98 98 GLN HA H 98 5.809 5.457 0.352 1 1 1165 . 5 1 1 A 98 98 GLN C C 98 176.454 176.209 0.245 1 1 1166 . 5 1 1 A 98 98 GLN CA C 98 54.125 54.124 0.001 1 1 1167 . 5 1 1 A 98 98 GLN CB C 98 33.444 30.877 2.567 1 1 1169 . 5 1 1 A 98 98 GLN N N 98 120.699 124.267 -3.568 1 1 1171 . 5 1 1 A 99 99 THR H H 99 8.176 8.280 -0.104 1 1 1172 . 5 1 1 A 99 99 THR HA H 99 4.324 4.652 -0.328 1 1 1177 . 5 1 1 A 99 99 THR C C 99 175.929 174.427 1.502 1 1 1178 . 5 1 1 A 99 99 THR CA C 99 60.341 60.749 -0.408 1 1 1179 . 5 1 1 A 99 99 THR CB C 99 70.070 71.467 -1.397 1 1 1181 . 5 1 1 A 99 99 THR N N 99 112.214 116.271 -4.057 1 1 1182 . 5 1 1 A 100 100 LEU H H 100 7.368 8.213 -0.845 1 1 1183 . 5 1 1 A 100 100 LEU HA H 100 4.310 4.227 0.083 1 1 1193 . 5 1 1 A 100 100 LEU C C 100 177.359 176.922 0.437 1 1 1194 . 5 1 1 A 100 100 LEU CA C 100 54.790 55.665 -0.875 1 1 1195 . 5 1 1 A 100 100 LEU CB C 100 42.096 41.913 0.183 1 1 1199 . 5 1 1 A 100 100 LEU N N 100 117.018 122.768 -5.750 1 1 1200 . 5 1 1 A 101 101 THR H H 101 7.997 8.453 -0.456 1 1 1201 . 5 1 1 A 101 101 THR HA H 101 4.123 4.951 -0.828 1 1 1206 . 5 1 1 A 101 101 THR C C 101 174.014 174.347 -0.333 1 1 1207 . 5 1 1 A 101 101 THR CA C 101 61.968 60.745 1.223 1 1 1208 . 5 1 1 A 101 101 THR CB C 101 70.172 70.060 0.112 1 1 1210 . 5 1 1 A 101 101 THR N N 101 110.428 115.294 -4.866 1 1 1211 . 5 1 1 A 102 102 ASP H H 102 8.320 9.002 -0.682 1 1 1212 . 5 1 1 A 102 102 ASP HA H 102 4.853 4.297 0.556 1 1 1215 . 5 1 1 A 102 102 ASP C C 102 176.204 177.551 -1.347 1 1 1216 . 5 1 1 A 102 102 ASP CA C 102 53.694 57.173 -3.479 1 1 1217 . 5 1 1 A 102 102 ASP CB C 102 41.808 40.819 0.989 1 1 1218 . 5 1 1 A 102 102 ASP N N 102 120.693 126.815 -6.122 1 1 1219 . 5 1 1 A 103 103 SER H H 103 8.294 8.252 0.042 1 1 1220 . 5 1 1 A 103 103 SER HA H 103 4.486 4.230 0.256 1 1 1223 . 5 1 1 A 103 103 SER C C 103 174.875 175.881 -1.006 1 1 1224 . 5 1 1 A 103 103 SER CA C 103 58.361 61.774 -3.413 1 1 1225 . 5 1 1 A 103 103 SER CB C 103 63.942 62.886 1.056 1 1 1226 . 5 1 1 A 103 103 SER N N 103 117.442 113.712 3.730 1 1 1227 . 5 1 1 A 104 104 GLY H H 104 8.393 7.832 0.561 1 1 1228 . 5 1 1 A 104 104 GLY HA2 H 104 4.104 4.029 0.075 1 1 1229 . 5 1 1 A 104 104 GLY HA3 H 104 4.104 4.031 0.073 1 1 1230 . 5 1 1 A 104 104 GLY C C 104 172.016 173.151 -1.135 1 1 1231 . 5 1 1 A 104 104 GLY CA C 104 44.800 44.892 -0.092 1 1 1232 . 5 1 1 A 104 104 GLY N N 104 111.065 109.201 1.864 1 1 1233 . 5 1 1 A 105 105 PRO HA H 105 4.475 4.588 -0.113 1 1 1240 . 5 1 1 A 105 105 PRO C C 105 177.464 176.098 1.366 1 1 1241 . 5 1 1 A 105 105 PRO CA C 105 63.329 62.658 0.671 1 1 1242 . 5 1 1 A 105 105 PRO CB C 105 32.249 32.532 -0.283 1 1 1245 . 5 1 1 A 106 106 SER H H 106 8.514 8.475 0.039 1 1 1246 . 5 1 1 A 106 106 SER HA H 106 4.512 5.041 -0.529 1 1 1249 . 5 1 1 A 106 106 SER C C 106 174.735 172.799 1.936 1 1 1250 . 5 1 1 A 106 106 SER CA C 106 58.361 56.709 1.652 1 1 1251 . 5 1 1 A 106 106 SER CB C 106 63.820 66.114 -2.294 1 1 1252 . 5 1 1 A 106 106 SER N N 106 116.429 114.276 2.153 1 1 1253 . 5 1 1 A 107 107 SER H H 107 8.329 9.081 -0.752 1 1 1254 . 5 1 1 A 107 107 SER HA H 107 4.512 5.370 -0.858 1 1 1257 . 5 1 1 A 107 107 SER C C 107 174.004 173.553 0.451 1 1 1258 . 5 1 1 A 107 107 SER CA C 107 58.414 56.319 2.095 1 1 1259 . 5 1 1 A 107 107 SER CB C 107 64.014 66.127 -2.113 1 1 1260 . 5 1 1 A 107 107 SER N N 107 117.919 117.275 0.644 1 1 1 . 6 1 1 A 6 6 SER HA H 6 4.523 4.738 -0.215 1 1 3 . 6 1 1 A 6 6 SER CA C 6 58.535 59.618 -1.083 1 1 4 . 6 1 1 A 6 6 SER CB C 6 64.106 63.206 0.900 1 1 5 . 6 1 1 A 7 7 GLY H H 7 8.202 8.518 -0.316 1 1 6 . 6 1 1 A 7 7 GLY HA2 H 7 3.881 4.130 -0.249 1 1 7 . 6 1 1 A 7 7 GLY HA3 H 7 3.740 4.137 -0.397 1 1 8 . 6 1 1 A 7 7 GLY CA C 7 44.322 44.597 -0.275 1 1 9 . 6 1 1 A 7 7 GLY N N 7 109.573 111.183 -1.610 1 1 10 . 6 1 1 A 8 8 PRO HA H 8 4.641 4.540 0.101 1 1 17 . 6 1 1 A 8 8 PRO C C 8 176.480 176.650 -0.170 1 1 18 . 6 1 1 A 8 8 PRO CA C 8 62.582 62.509 0.073 1 1 19 . 6 1 1 A 8 8 PRO CB C 8 32.331 32.396 -0.065 1 1 22 . 6 1 1 A 9 9 SER H H 9 8.061 8.340 -0.279 1 1 23 . 6 1 1 A 9 9 SER HA H 9 4.374 4.579 -0.205 1 1 26 . 6 1 1 A 9 9 SER C C 9 173.090 173.719 -0.629 1 1 27 . 6 1 1 A 9 9 SER CA C 9 58.754 57.727 1.027 1 1 28 . 6 1 1 A 9 9 SER CB C 9 63.667 64.783 -1.116 1 1 29 . 6 1 1 A 9 9 SER N N 9 115.137 114.543 0.594 1 1 30 . 6 1 1 A 10 10 THR H H 10 8.359 8.518 -0.159 1 1 31 . 6 1 1 A 10 10 THR HA H 10 4.027 4.901 -0.874 1 1 36 . 6 1 1 A 10 10 THR C C 10 175.380 173.121 2.259 1 1 37 . 6 1 1 A 10 10 THR CA C 10 62.781 60.199 2.582 1 1 38 . 6 1 1 A 10 10 THR CB C 10 69.617 71.963 -2.346 1 1 40 . 6 1 1 A 10 10 THR N N 10 115.079 115.134 -0.055 1 1 41 . 6 1 1 A 11 11 VAL H H 11 9.280 8.775 0.505 1 1 42 . 6 1 1 A 11 11 VAL HA H 11 4.097 4.198 -0.101 1 1 50 . 6 1 1 A 11 11 VAL C C 11 175.706 176.389 -0.683 1 1 51 . 6 1 1 A 11 11 VAL CA C 11 61.518 61.088 0.430 1 1 52 . 6 1 1 A 11 11 VAL CB C 11 33.174 32.047 1.127 1 1 55 . 6 1 1 A 11 11 VAL N N 11 131.182 126.298 4.884 1 1 56 . 6 1 1 A 12 12 PRO HA H 12 4.415 4.508 -0.093 1 1 63 . 6 1 1 A 12 12 PRO C C 12 175.612 176.381 -0.769 1 1 64 . 6 1 1 A 12 12 PRO CA C 12 64.850 64.906 -0.056 1 1 65 . 6 1 1 A 12 12 PRO CB C 12 32.578 32.244 0.334 1 1 68 . 6 1 1 A 13 13 ILE H H 13 7.251 7.580 -0.329 1 1 69 . 6 1 1 A 13 13 ILE HA H 13 4.439 4.661 -0.222 1 1 79 . 6 1 1 A 13 13 ILE C C 13 170.969 173.365 -2.396 1 1 80 . 6 1 1 A 13 13 ILE CA C 13 59.973 59.443 0.530 1 1 81 . 6 1 1 A 13 13 ILE CB C 13 40.776 41.867 -1.091 1 1 85 . 6 1 1 A 13 13 ILE N N 13 115.827 116.052 -0.225 1 1 86 . 6 1 1 A 14 14 MET H H 14 6.827 8.770 -1.943 1 1 87 . 6 1 1 A 14 14 MET HA H 14 4.961 5.591 -0.630 1 1 95 . 6 1 1 A 14 14 MET C C 14 173.380 174.918 -1.538 1 1 96 . 6 1 1 A 14 14 MET CA C 14 55.214 54.272 0.942 1 1 97 . 6 1 1 A 14 14 MET CB C 14 38.223 35.967 2.256 1 1 100 . 6 1 1 A 14 14 MET N N 14 116.754 125.600 -8.846 1 1 101 . 6 1 1 A 15 15 HIS H H 15 9.417 9.271 0.146 1 1 102 . 6 1 1 A 15 15 HIS HA H 15 4.958 5.178 -0.220 1 1 107 . 6 1 1 A 15 15 HIS C C 15 173.901 173.814 0.087 1 1 108 . 6 1 1 A 15 15 HIS CA C 15 55.190 54.386 0.804 1 1 109 . 6 1 1 A 15 15 HIS CB C 15 33.361 33.981 -0.620 1 1 112 . 6 1 1 A 15 15 HIS N N 15 118.539 118.356 0.183 1 1 113 . 6 1 1 A 16 16 GLN H H 16 9.164 8.933 0.231 1 1 114 . 6 1 1 A 16 16 GLN HA H 16 4.385 4.863 -0.478 1 1 121 . 6 1 1 A 16 16 GLN C C 16 175.463 174.962 0.501 1 1 122 . 6 1 1 A 16 16 GLN CA C 16 55.992 54.416 1.576 1 1 123 . 6 1 1 A 16 16 GLN CB C 16 29.159 31.172 -2.013 1 1 125 . 6 1 1 A 16 16 GLN N N 16 123.267 122.800 0.467 1 1 127 . 6 1 1 A 17 17 VAL H H 17 8.983 8.376 0.607 1 1 128 . 6 1 1 A 17 17 VAL HA H 17 3.910 4.139 -0.229 1 1 136 . 6 1 1 A 17 17 VAL C C 17 176.328 175.677 0.651 1 1 137 . 6 1 1 A 17 17 VAL CA C 17 63.807 63.428 0.379 1 1 138 . 6 1 1 A 17 17 VAL CB C 17 33.088 33.079 0.009 1 1 141 . 6 1 1 A 17 17 VAL N N 17 128.880 126.959 1.921 1 1 142 . 6 1 1 A 18 18 SER H H 18 7.740 7.571 0.169 1 1 143 . 6 1 1 A 18 18 SER HA H 18 4.589 4.613 -0.024 1 1 146 . 6 1 1 A 18 18 SER C C 18 171.965 172.170 -0.205 1 1 147 . 6 1 1 A 18 18 SER CA C 18 57.441 56.630 0.811 1 1 148 . 6 1 1 A 18 18 SER CB C 18 64.058 64.709 -0.651 1 1 149 . 6 1 1 A 18 18 SER N N 18 110.447 111.480 -1.033 1 1 150 . 6 1 1 A 19 19 ALA H H 19 8.114 8.510 -0.396 1 1 151 . 6 1 1 A 19 19 ALA HA H 19 5.086 4.853 0.233 1 1 155 . 6 1 1 A 19 19 ALA C C 19 176.404 175.882 0.522 1 1 156 . 6 1 1 A 19 19 ALA CA C 19 52.453 51.600 0.853 1 1 157 . 6 1 1 A 19 19 ALA CB C 19 23.038 23.194 -0.156 1 1 158 . 6 1 1 A 19 19 ALA N N 19 121.116 124.084 -2.968 1 1 159 . 6 1 1 A 20 20 THR H H 20 8.710 8.804 -0.094 1 1 160 . 6 1 1 A 20 20 THR HA H 20 4.787 4.937 -0.150 1 1 165 . 6 1 1 A 20 20 THR C C 20 175.596 175.054 0.542 1 1 166 . 6 1 1 A 20 20 THR CA C 20 60.341 60.046 0.295 1 1 167 . 6 1 1 A 20 20 THR CB C 20 71.307 72.253 -0.946 1 1 169 . 6 1 1 A 20 20 THR N N 20 110.762 109.893 0.869 1 1 170 . 6 1 1 A 21 21 MET H H 21 8.686 8.643 0.043 1 1 171 . 6 1 1 A 21 21 MET HA H 21 4.618 4.331 0.287 1 1 179 . 6 1 1 A 21 21 MET C C 21 174.754 176.678 -1.924 1 1 180 . 6 1 1 A 21 21 MET CA C 21 59.272 57.643 1.629 1 1 181 . 6 1 1 A 21 21 MET CB C 21 34.488 32.917 1.571 1 1 184 . 6 1 1 A 21 21 MET N N 21 118.478 120.060 -1.582 1 1 185 . 6 1 1 A 22 22 ARG H H 22 7.296 7.527 -0.231 1 1 186 . 6 1 1 A 22 22 ARG HA H 22 4.453 4.651 -0.198 1 1 193 . 6 1 1 A 22 22 ARG C C 22 174.722 174.922 -0.200 1 1 194 . 6 1 1 A 22 22 ARG CA C 22 54.218 55.303 -1.085 1 1 195 . 6 1 1 A 22 22 ARG CB C 22 32.509 31.244 1.265 1 1 198 . 6 1 1 A 22 22 ARG N N 22 108.176 116.611 -8.435 1 1 199 . 6 1 1 A 23 23 SER H H 23 7.387 7.542 -0.155 1 1 200 . 6 1 1 A 23 23 SER HA H 23 5.353 5.213 0.140 1 1 203 . 6 1 1 A 23 23 SER C C 23 171.910 172.341 -0.431 1 1 204 . 6 1 1 A 23 23 SER CA C 23 57.230 57.497 -0.267 1 1 205 . 6 1 1 A 23 23 SER CB C 23 68.011 67.423 0.588 1 1 206 . 6 1 1 A 23 23 SER N N 23 114.861 113.898 0.963 1 1 207 . 6 1 1 A 24 24 ILE H H 24 8.061 8.408 -0.347 1 1 208 . 6 1 1 A 24 24 ILE HA H 24 4.470 4.720 -0.250 1 1 218 . 6 1 1 A 24 24 ILE C C 24 174.028 174.310 -0.282 1 1 219 . 6 1 1 A 24 24 ILE CA C 24 61.402 60.269 1.133 1 1 220 . 6 1 1 A 24 24 ILE CB C 24 43.249 41.498 1.751 1 1 224 . 6 1 1 A 24 24 ILE N N 24 116.152 121.574 -5.422 1 1 225 . 6 1 1 A 25 25 THR H H 25 8.584 8.864 -0.280 1 1 226 . 6 1 1 A 25 25 THR HA H 25 5.107 4.870 0.237 1 1 231 . 6 1 1 A 25 25 THR C C 25 173.463 173.486 -0.023 1 1 232 . 6 1 1 A 25 25 THR CA C 25 62.127 61.940 0.187 1 1 233 . 6 1 1 A 25 25 THR CB C 25 68.954 70.023 -1.069 1 1 235 . 6 1 1 A 25 25 THR N N 25 122.080 123.680 -1.600 1 1 236 . 6 1 1 A 26 26 LEU H H 26 9.093 8.533 0.560 1 1 237 . 6 1 1 A 26 26 LEU HA H 26 5.427 4.971 0.456 1 1 247 . 6 1 1 A 26 26 LEU C C 26 175.180 175.307 -0.127 1 1 248 . 6 1 1 A 26 26 LEU CA C 26 53.181 53.328 -0.147 1 1 249 . 6 1 1 A 26 26 LEU CB C 26 46.902 46.424 0.478 1 1 253 . 6 1 1 A 26 26 LEU N N 26 128.231 126.550 1.681 1 1 254 . 6 1 1 A 27 27 SER H H 27 9.260 8.903 0.357 1 1 255 . 6 1 1 A 27 27 SER HA H 27 4.757 4.753 0.004 1 1 258 . 6 1 1 A 27 27 SER C C 27 172.413 172.622 -0.209 1 1 259 . 6 1 1 A 27 27 SER CA C 27 56.912 57.544 -0.632 1 1 260 . 6 1 1 A 27 27 SER CB C 27 66.220 65.495 0.725 1 1 261 . 6 1 1 A 27 27 SER N N 27 115.325 114.315 1.010 1 1 262 . 6 1 1 A 28 28 TRP H H 28 7.430 7.969 -0.539 1 1 263 . 6 1 1 A 28 28 TRP HA H 28 5.212 5.308 -0.096 1 1 272 . 6 1 1 A 28 28 TRP C C 28 171.555 173.052 -1.497 1 1 273 . 6 1 1 A 28 28 TRP CA C 28 55.143 55.109 0.034 1 1 274 . 6 1 1 A 28 28 TRP CB C 28 28.918 31.130 -2.212 1 1 280 . 6 1 1 A 28 28 TRP N N 28 119.703 121.123 -1.420 1 1 282 . 6 1 1 A 29 29 PRO HA H 29 4.543 4.510 0.033 1 1 289 . 6 1 1 A 29 29 PRO C C 29 175.962 176.500 -0.538 1 1 290 . 6 1 1 A 29 29 PRO CA C 29 61.702 62.913 -1.211 1 1 291 . 6 1 1 A 29 29 PRO CB C 29 32.041 31.892 0.149 1 1 294 . 6 1 1 A 30 30 GLN H H 30 8.248 8.517 -0.269 1 1 295 . 6 1 1 A 30 30 GLN HA H 30 4.654 4.653 0.001 1 1 302 . 6 1 1 A 30 30 GLN C C 30 174.856 175.026 -0.170 1 1 303 . 6 1 1 A 30 30 GLN CA C 30 54.524 54.058 0.466 1 1 304 . 6 1 1 A 30 30 GLN CB C 30 28.623 29.473 -0.850 1 1 306 . 6 1 1 A 30 30 GLN N N 30 117.321 121.596 -4.275 1 1 308 . 6 1 1 A 31 31 PRO HA H 31 4.116 4.799 -0.683 1 1 315 . 6 1 1 A 31 31 PRO C C 31 175.787 176.986 -1.199 1 1 316 . 6 1 1 A 31 31 PRO CA C 31 63.364 63.056 0.308 1 1 317 . 6 1 1 A 31 31 PRO CB C 31 32.503 33.371 -0.868 1 1 320 . 6 1 1 A 32 32 GLU H H 32 8.367 9.063 -0.696 1 1 321 . 6 1 1 A 32 32 GLU HA H 32 4.004 4.587 -0.583 1 1 326 . 6 1 1 A 32 32 GLU C C 32 176.748 176.916 -0.168 1 1 327 . 6 1 1 A 32 32 GLU CA C 32 58.644 57.027 1.617 1 1 328 . 6 1 1 A 32 32 GLU CB C 32 30.271 31.203 -0.932 1 1 330 . 6 1 1 A 32 32 GLU N N 32 122.959 119.452 3.507 1 1 331 . 6 1 1 A 33 33 GLN H H 33 8.220 7.691 0.529 1 1 332 . 6 1 1 A 33 33 GLN HA H 33 4.820 4.889 -0.069 1 1 339 . 6 1 1 A 33 33 GLN C C 33 172.938 174.287 -1.349 1 1 340 . 6 1 1 A 33 33 GLN CA C 33 52.544 53.489 -0.945 1 1 341 . 6 1 1 A 33 33 GLN CB C 33 29.077 29.091 -0.014 1 1 343 . 6 1 1 A 33 33 GLN N N 33 116.413 119.062 -2.649 1 1 345 . 6 1 1 A 34 34 PRO HA H 34 4.039 4.630 -0.591 1 1 352 . 6 1 1 A 34 34 PRO C C 34 175.293 176.675 -1.382 1 1 353 . 6 1 1 A 34 34 PRO CA C 34 64.248 63.629 0.619 1 1 354 . 6 1 1 A 34 34 PRO CB C 34 31.974 32.129 -0.155 1 1 357 . 6 1 1 A 35 35 ASN H H 35 8.478 8.105 0.373 1 1 358 . 6 1 1 A 35 35 ASN HA H 35 4.270 4.396 -0.126 1 1 363 . 6 1 1 A 35 35 ASN C C 35 173.982 174.478 -0.496 1 1 364 . 6 1 1 A 35 35 ASN CA C 35 53.655 54.439 -0.784 1 1 365 . 6 1 1 A 35 35 ASN CB C 35 37.151 37.029 0.122 1 1 366 . 6 1 1 A 35 35 ASN N N 35 111.907 114.821 -2.914 1 1 368 . 6 1 1 A 36 36 GLY H H 36 7.537 7.918 -0.381 1 1 369 . 6 1 1 A 36 36 GLY HA2 H 36 4.247 4.012 0.235 1 1 370 . 6 1 1 A 36 36 GLY HA3 H 36 3.749 4.023 -0.274 1 1 371 . 6 1 1 A 36 36 GLY C C 36 172.062 172.676 -0.614 1 1 372 . 6 1 1 A 36 36 GLY CA C 36 44.147 44.779 -0.632 1 1 373 . 6 1 1 A 36 36 GLY N N 36 105.149 106.032 -0.883 1 1 374 . 6 1 1 A 37 37 ILE H H 37 8.107 8.568 -0.461 1 1 375 . 6 1 1 A 37 37 ILE HA H 37 4.017 3.958 0.059 1 1 385 . 6 1 1 A 37 37 ILE C C 37 176.534 175.790 0.744 1 1 386 . 6 1 1 A 37 37 ILE CA C 37 60.331 62.039 -1.708 1 1 387 . 6 1 1 A 37 37 ILE CB C 37 38.929 37.379 1.550 1 1 391 . 6 1 1 A 37 37 ILE N N 37 120.104 121.458 -1.354 1 1 392 . 6 1 1 A 38 38 ILE H H 38 8.678 8.578 0.100 1 1 393 . 6 1 1 A 38 38 ILE HA H 38 3.695 4.259 -0.564 1 1 403 . 6 1 1 A 38 38 ILE C C 38 176.027 175.538 0.489 1 1 404 . 6 1 1 A 38 38 ILE CA C 38 61.811 61.699 0.112 1 1 405 . 6 1 1 A 38 38 ILE CB C 38 37.028 36.419 0.609 1 1 409 . 6 1 1 A 38 38 ILE N N 38 127.591 129.759 -2.168 1 1 410 . 6 1 1 A 39 39 LEU H H 39 9.054 8.768 0.286 1 1 411 . 6 1 1 A 39 39 LEU HA H 39 4.188 3.951 0.237 1 1 421 . 6 1 1 A 39 39 LEU C C 39 176.826 176.936 -0.110 1 1 422 . 6 1 1 A 39 39 LEU CA C 39 56.416 57.749 -1.333 1 1 423 . 6 1 1 A 39 39 LEU CB C 39 42.664 41.970 0.694 1 1 427 . 6 1 1 A 39 39 LEU N N 39 130.577 130.025 0.552 1 1 428 . 6 1 1 A 40 40 ASP H H 40 7.502 7.676 -0.174 1 1 429 . 6 1 1 A 40 40 ASP HA H 40 4.392 5.178 -0.786 1 1 432 . 6 1 1 A 40 40 ASP C C 40 171.781 173.850 -2.069 1 1 433 . 6 1 1 A 40 40 ASP CA C 40 52.884 52.781 0.103 1 1 434 . 6 1 1 A 40 40 ASP CB C 40 41.985 45.544 -3.559 1 1 435 . 6 1 1 A 40 40 ASP N N 40 112.731 116.150 -3.419 1 1 436 . 6 1 1 A 41 41 TYR H H 41 8.974 8.915 0.059 1 1 437 . 6 1 1 A 41 41 TYR HA H 41 5.379 5.292 0.087 1 1 444 . 6 1 1 A 41 41 TYR C C 41 175.555 174.741 0.814 1 1 445 . 6 1 1 A 41 41 TYR CA C 41 56.574 57.036 -0.462 1 1 446 . 6 1 1 A 41 41 TYR CB C 41 42.213 41.186 1.027 1 1 449 . 6 1 1 A 41 41 TYR N N 41 111.324 118.489 -7.165 1 1 450 . 6 1 1 A 42 42 GLU H H 42 9.184 9.165 0.019 1 1 451 . 6 1 1 A 42 42 GLU HA H 42 5.066 4.836 0.230 1 1 456 . 6 1 1 A 42 42 GLU C C 42 174.368 175.197 -0.829 1 1 457 . 6 1 1 A 42 42 GLU CA C 42 55.126 56.250 -1.124 1 1 458 . 6 1 1 A 42 42 GLU CB C 42 33.471 31.189 2.282 1 1 460 . 6 1 1 A 42 42 GLU N N 42 120.875 124.759 -3.884 1 1 461 . 6 1 1 A 43 43 ILE H H 43 9.355 8.806 0.549 1 1 462 . 6 1 1 A 43 43 ILE HA H 43 4.853 5.190 -0.337 1 1 472 . 6 1 1 A 43 43 ILE C C 43 174.430 174.386 0.044 1 1 473 . 6 1 1 A 43 43 ILE CA C 43 60.323 60.571 -0.248 1 1 474 . 6 1 1 A 43 43 ILE CB C 43 40.297 40.339 -0.042 1 1 478 . 6 1 1 A 43 43 ILE N N 43 126.045 126.891 -0.846 1 1 479 . 6 1 1 A 44 44 ARG H H 44 9.097 9.410 -0.313 1 1 480 . 6 1 1 A 44 44 ARG HA H 44 5.545 5.303 0.242 1 1 487 . 6 1 1 A 44 44 ARG C C 44 175.523 174.665 0.858 1 1 488 . 6 1 1 A 44 44 ARG CA C 44 54.386 54.501 -0.115 1 1 489 . 6 1 1 A 44 44 ARG CB C 44 34.638 32.399 2.239 1 1 492 . 6 1 1 A 44 44 ARG N N 44 127.831 129.869 -2.038 1 1 493 . 6 1 1 A 45 45 TYR H H 45 8.893 8.647 0.246 1 1 494 . 6 1 1 A 45 45 TYR HA H 45 6.272 5.911 0.361 1 1 501 . 6 1 1 A 45 45 TYR C C 45 173.560 173.076 0.484 1 1 502 . 6 1 1 A 45 45 TYR CA C 45 54.767 55.574 -0.807 1 1 503 . 6 1 1 A 45 45 TYR CB C 45 43.168 42.300 0.868 1 1 508 . 6 1 1 A 45 45 TYR N N 45 123.683 122.283 1.400 1 1 509 . 6 1 1 A 46 46 TYR H H 46 8.479 8.147 0.332 1 1 510 . 6 1 1 A 46 46 TYR HA H 46 5.048 5.411 -0.363 1 1 517 . 6 1 1 A 46 46 TYR C C 46 173.870 174.333 -0.463 1 1 518 . 6 1 1 A 46 46 TYR CA C 46 55.485 55.346 0.139 1 1 519 . 6 1 1 A 46 46 TYR CB C 46 39.975 41.125 -1.150 1 1 524 . 6 1 1 A 46 46 TYR N N 46 114.778 118.019 -3.241 1 1 525 . 6 1 1 A 47 47 GLU H H 47 9.111 8.811 0.300 1 1 526 . 6 1 1 A 47 47 GLU HA H 47 3.819 4.117 -0.298 1 1 531 . 6 1 1 A 47 47 GLU C C 47 177.764 177.863 -0.099 1 1 532 . 6 1 1 A 47 47 GLU CA C 47 57.123 56.872 0.251 1 1 533 . 6 1 1 A 47 47 GLU CB C 47 29.773 29.754 0.019 1 1 535 . 6 1 1 A 47 47 GLU N N 47 122.069 120.232 1.837 1 1 536 . 6 1 1 A 48 48 LYS H H 48 8.246 8.524 -0.278 1 1 537 . 6 1 1 A 48 48 LYS HA H 48 3.722 4.030 -0.308 1 1 546 . 6 1 1 A 48 48 LYS C C 48 176.588 177.937 -1.349 1 1 547 . 6 1 1 A 48 48 LYS CA C 48 59.774 59.142 0.632 1 1 548 . 6 1 1 A 48 48 LYS CB C 48 33.032 32.221 0.811 1 1 552 . 6 1 1 A 48 48 LYS N N 48 122.857 125.487 -2.630 1 1 553 . 6 1 1 A 49 49 GLU H H 49 8.192 7.688 0.504 1 1 554 . 6 1 1 A 49 49 GLU HA H 49 4.216 4.340 -0.124 1 1 559 . 6 1 1 A 49 49 GLU C C 49 176.987 176.982 0.005 1 1 560 . 6 1 1 A 49 49 GLU CA C 49 57.447 58.035 -0.588 1 1 561 . 6 1 1 A 49 49 GLU CB C 49 28.987 30.763 -1.776 1 1 563 . 6 1 1 A 49 49 GLU N N 49 114.305 116.640 -2.335 1 1 564 . 6 1 1 A 50 50 HIS H H 50 8.329 8.092 0.237 1 1 565 . 6 1 1 A 50 50 HIS HA H 50 4.928 4.768 0.160 1 1 570 . 6 1 1 A 50 50 HIS C C 50 173.255 174.438 -1.183 1 1 571 . 6 1 1 A 50 50 HIS CA C 50 54.372 56.362 -1.990 1 1 572 . 6 1 1 A 50 50 HIS CB C 50 31.082 31.964 -0.882 1 1 575 . 6 1 1 A 50 50 HIS N N 50 120.021 117.714 2.307 1 1 576 . 6 1 1 A 51 51 ASN H H 51 7.687 8.435 -0.748 1 1 577 . 6 1 1 A 51 51 ASN HA H 51 4.259 4.239 0.020 1 1 582 . 6 1 1 A 51 51 ASN C C 51 174.779 176.354 -1.575 1 1 583 . 6 1 1 A 51 51 ASN CA C 51 52.561 50.429 2.132 1 1 584 . 6 1 1 A 51 51 ASN CB C 51 39.474 41.311 -1.837 1 1 585 . 6 1 1 A 51 51 ASN N N 51 114.158 119.691 -5.533 1 1 587 . 6 1 1 A 52 52 GLU H H 52 8.551 8.655 -0.104 1 1 588 . 6 1 1 A 52 52 GLU HA H 52 2.797 4.160 -1.363 1 1 593 . 6 1 1 A 52 52 GLU C C 52 177.117 178.752 -1.635 1 1 594 . 6 1 1 A 52 52 GLU CA C 52 58.155 59.247 -1.092 1 1 595 . 6 1 1 A 52 52 GLU CB C 52 28.912 29.022 -0.110 1 1 597 . 6 1 1 A 52 52 GLU N N 52 117.019 122.149 -5.130 1 1 598 . 6 1 1 A 53 53 PHE H H 53 7.855 8.314 -0.459 1 1 599 . 6 1 1 A 53 53 PHE HA H 53 4.371 4.041 0.330 1 1 607 . 6 1 1 A 53 53 PHE C C 53 175.783 176.762 -0.979 1 1 608 . 6 1 1 A 53 53 PHE CA C 53 58.785 61.802 -3.017 1 1 609 . 6 1 1 A 53 53 PHE CB C 53 37.747 39.186 -1.439 1 1 615 . 6 1 1 A 53 53 PHE N N 53 119.462 121.411 -1.949 1 1 616 . 6 1 1 A 54 54 ASN H H 54 7.744 8.256 -0.512 1 1 617 . 6 1 1 A 54 54 ASN HA H 54 4.948 4.908 0.040 1 1 622 . 6 1 1 A 54 54 ASN C C 54 173.922 174.204 -0.282 1 1 623 . 6 1 1 A 54 54 ASN CA C 54 52.102 52.480 -0.378 1 1 624 . 6 1 1 A 54 54 ASN CB C 54 38.637 37.106 1.531 1 1 625 . 6 1 1 A 54 54 ASN N N 54 120.451 116.275 4.176 1 1 627 . 6 1 1 A 55 55 SER H H 55 7.469 8.187 -0.718 1 1 628 . 6 1 1 A 55 55 SER HA H 55 4.710 5.021 -0.311 1 1 631 . 6 1 1 A 55 55 SER C C 55 173.922 172.928 0.994 1 1 632 . 6 1 1 A 55 55 SER CA C 55 57.883 55.575 2.308 1 1 633 . 6 1 1 A 55 55 SER CB C 55 66.064 65.641 0.423 1 1 634 . 6 1 1 A 55 55 SER N N 55 113.429 117.324 -3.895 1 1 635 . 6 1 1 A 56 56 SER H H 56 8.458 8.398 0.060 1 1 636 . 6 1 1 A 56 56 SER HA H 56 4.632 5.004 -0.372 1 1 639 . 6 1 1 A 56 56 SER C C 56 171.119 173.181 -2.062 1 1 640 . 6 1 1 A 56 56 SER CA C 56 57.866 57.181 0.685 1 1 641 . 6 1 1 A 56 56 SER CB C 56 65.164 64.319 0.845 1 1 642 . 6 1 1 A 56 56 SER N N 56 116.653 119.306 -2.653 1 1 643 . 6 1 1 A 57 57 MET H H 57 8.355 8.981 -0.626 1 1 644 . 6 1 1 A 57 57 MET HA H 57 5.776 5.688 0.088 1 1 652 . 6 1 1 A 57 57 MET C C 57 175.771 175.605 0.166 1 1 653 . 6 1 1 A 57 57 MET CA C 57 53.913 53.672 0.241 1 1 654 . 6 1 1 A 57 57 MET CB C 57 36.115 34.279 1.836 1 1 657 . 6 1 1 A 57 57 MET N N 57 119.463 124.818 -5.355 1 1 658 . 6 1 1 A 58 58 ALA H H 58 9.547 8.936 0.611 1 1 659 . 6 1 1 A 58 58 ALA HA H 58 4.890 5.314 -0.424 1 1 663 . 6 1 1 A 58 58 ALA C C 58 175.328 175.832 -0.504 1 1 664 . 6 1 1 A 58 58 ALA CA C 58 50.829 50.815 0.014 1 1 665 . 6 1 1 A 58 58 ALA CB C 58 22.649 22.823 -0.174 1 1 666 . 6 1 1 A 58 58 ALA N N 58 127.410 123.716 3.694 1 1 667 . 6 1 1 A 59 59 ARG H H 59 8.776 8.798 -0.022 1 1 668 . 6 1 1 A 59 59 ARG HA H 59 5.567 4.891 0.676 1 1 675 . 6 1 1 A 59 59 ARG C C 59 176.336 174.922 1.414 1 1 676 . 6 1 1 A 59 59 ARG CA C 59 54.843 55.672 -0.829 1 1 677 . 6 1 1 A 59 59 ARG CB C 59 33.691 31.688 2.003 1 1 680 . 6 1 1 A 59 59 ARG N N 59 119.945 123.637 -3.692 1 1 681 . 6 1 1 A 60 60 SER H H 60 8.919 8.444 0.475 1 1 682 . 6 1 1 A 60 60 SER HA H 60 5.011 5.227 -0.216 1 1 685 . 6 1 1 A 60 60 SER C C 60 174.614 174.463 0.151 1 1 686 . 6 1 1 A 60 60 SER CA C 60 56.752 56.550 0.202 1 1 687 . 6 1 1 A 60 60 SER CB C 60 66.198 65.257 0.941 1 1 688 . 6 1 1 A 60 60 SER N N 60 115.274 117.549 -2.275 1 1 689 . 6 1 1 A 61 61 GLN H H 61 9.367 8.699 0.668 1 1 690 . 6 1 1 A 61 61 GLN HA H 61 4.556 4.579 -0.023 1 1 697 . 6 1 1 A 61 61 GLN C C 61 175.391 175.336 0.055 1 1 698 . 6 1 1 A 61 61 GLN CA C 61 57.664 56.406 1.258 1 1 699 . 6 1 1 A 61 61 GLN CB C 61 29.763 29.313 0.450 1 1 701 . 6 1 1 A 61 61 GLN N N 61 124.808 124.164 0.644 1 1 703 . 6 1 1 A 62 62 THR H H 62 8.075 7.349 0.726 1 1 704 . 6 1 1 A 62 62 THR HA H 62 4.918 4.520 0.398 1 1 709 . 6 1 1 A 62 62 THR C C 62 173.106 172.679 0.427 1 1 710 . 6 1 1 A 62 62 THR CA C 62 59.369 60.356 -0.987 1 1 711 . 6 1 1 A 62 62 THR CB C 62 70.607 69.436 1.171 1 1 713 . 6 1 1 A 62 62 THR N N 62 110.260 113.656 -3.396 1 1 714 . 6 1 1 A 63 63 ASN H H 63 8.575 8.290 0.285 1 1 715 . 6 1 1 A 63 63 ASN HA H 63 3.457 3.851 -0.394 1 1 720 . 6 1 1 A 63 63 ASN C C 63 172.343 173.377 -1.034 1 1 721 . 6 1 1 A 63 63 ASN CA C 63 53.270 52.748 0.522 1 1 722 . 6 1 1 A 63 63 ASN CB C 63 34.441 38.283 -3.842 1 1 723 . 6 1 1 A 63 63 ASN N N 63 119.090 120.780 -1.690 1 1 725 . 6 1 1 A 64 64 THR H H 64 6.850 7.207 -0.357 1 1 726 . 6 1 1 A 64 64 THR HA H 64 4.296 4.182 0.114 1 1 731 . 6 1 1 A 64 64 THR C C 64 172.238 172.233 0.005 1 1 732 . 6 1 1 A 64 64 THR CA C 64 60.501 60.276 0.225 1 1 733 . 6 1 1 A 64 64 THR CB C 64 71.252 71.122 0.130 1 1 735 . 6 1 1 A 64 64 THR N N 64 111.612 113.961 -2.349 1 1 736 . 6 1 1 A 65 65 ALA H H 65 8.619 8.735 -0.116 1 1 737 . 6 1 1 A 65 65 ALA HA H 65 4.595 4.971 -0.376 1 1 741 . 6 1 1 A 65 65 ALA C C 65 174.046 174.955 -0.909 1 1 742 . 6 1 1 A 65 65 ALA CA C 65 52.102 51.238 0.864 1 1 743 . 6 1 1 A 65 65 ALA CB C 65 22.427 23.750 -1.323 1 1 744 . 6 1 1 A 65 65 ALA N N 65 124.370 129.477 -5.107 1 1 745 . 6 1 1 A 66 66 ARG H H 66 8.533 8.772 -0.239 1 1 746 . 6 1 1 A 66 66 ARG HA H 66 4.973 5.108 -0.135 1 1 753 . 6 1 1 A 66 66 ARG C C 66 175.240 174.611 0.629 1 1 754 . 6 1 1 A 66 66 ARG CA C 66 54.560 54.267 0.293 1 1 755 . 6 1 1 A 66 66 ARG CB C 66 32.088 33.578 -1.490 1 1 758 . 6 1 1 A 66 66 ARG N N 66 122.633 122.014 0.619 1 1 759 . 6 1 1 A 67 67 ILE H H 67 8.967 8.626 0.341 1 1 760 . 6 1 1 A 67 67 ILE HA H 67 4.013 4.194 -0.181 1 1 770 . 6 1 1 A 67 67 ILE C C 67 174.026 175.198 -1.172 1 1 771 . 6 1 1 A 67 67 ILE CA C 67 60.377 60.154 0.223 1 1 772 . 6 1 1 A 67 67 ILE CB C 67 38.044 37.251 0.793 1 1 776 . 6 1 1 A 67 67 ILE N N 67 128.560 127.950 0.610 1 1 777 . 6 1 1 A 68 68 ASP H H 68 8.117 8.500 -0.383 1 1 778 . 6 1 1 A 68 68 ASP HA H 68 5.060 5.258 -0.198 1 1 781 . 6 1 1 A 68 68 ASP C C 68 175.792 176.306 -0.514 1 1 782 . 6 1 1 A 68 68 ASP CA C 68 52.474 52.395 0.079 1 1 783 . 6 1 1 A 68 68 ASP CB C 68 44.116 43.917 0.199 1 1 784 . 6 1 1 A 68 68 ASP N N 68 125.243 126.204 -0.961 1 1 785 . 6 1 1 A 69 69 GLY H H 69 8.568 8.704 -0.136 1 1 786 . 6 1 1 A 69 69 GLY HA2 H 69 3.951 3.927 0.024 1 1 787 . 6 1 1 A 69 69 GLY HA3 H 69 3.830 3.940 -0.110 1 1 788 . 6 1 1 A 69 69 GLY C C 69 175.359 174.009 1.350 1 1 789 . 6 1 1 A 69 69 GLY CA C 69 46.356 46.302 0.054 1 1 790 . 6 1 1 A 69 69 GLY N N 69 105.736 111.156 -5.420 1 1 791 . 6 1 1 A 70 70 LEU H H 70 7.982 7.754 0.228 1 1 792 . 6 1 1 A 70 70 LEU HA H 70 4.356 4.742 -0.386 1 1 802 . 6 1 1 A 70 70 LEU C C 70 175.151 175.576 -0.425 1 1 803 . 6 1 1 A 70 70 LEU CA C 70 53.110 52.789 0.321 1 1 804 . 6 1 1 A 70 70 LEU CB C 70 40.992 44.300 -3.308 1 1 808 . 6 1 1 A 70 70 LEU N N 70 118.817 119.728 -0.911 1 1 809 . 6 1 1 A 71 71 ARG H H 71 8.148 8.619 -0.471 1 1 810 . 6 1 1 A 71 71 ARG HA H 71 4.922 4.809 0.113 1 1 817 . 6 1 1 A 71 71 ARG C C 71 174.419 174.124 0.295 1 1 818 . 6 1 1 A 71 71 ARG CA C 71 53.534 53.630 -0.096 1 1 819 . 6 1 1 A 71 71 ARG CB C 71 32.001 30.124 1.877 1 1 822 . 6 1 1 A 71 71 ARG N N 71 118.182 120.967 -2.785 1 1 823 . 6 1 1 A 72 72 PRO HA H 72 5.168 4.434 0.734 1 1 830 . 6 1 1 A 72 72 PRO C C 72 178.121 177.659 0.462 1 1 831 . 6 1 1 A 72 72 PRO CA C 72 63.416 63.589 -0.173 1 1 832 . 6 1 1 A 72 72 PRO CB C 72 32.908 31.485 1.423 1 1 835 . 6 1 1 A 73 73 GLY H H 73 7.705 8.778 -1.073 1 1 836 . 6 1 1 A 73 73 GLY HA2 H 73 3.856 3.945 -0.089 1 1 837 . 6 1 1 A 73 73 GLY HA3 H 73 3.508 3.954 -0.446 1 1 838 . 6 1 1 A 73 73 GLY C C 73 173.685 173.776 -0.091 1 1 839 . 6 1 1 A 73 73 GLY CA C 73 46.731 46.825 -0.094 1 1 840 . 6 1 1 A 73 73 GLY N N 73 112.669 112.207 0.462 1 1 841 . 6 1 1 A 74 74 MET H H 74 7.511 7.547 -0.036 1 1 842 . 6 1 1 A 74 74 MET HA H 74 4.742 4.994 -0.252 1 1 850 . 6 1 1 A 74 74 MET C C 74 173.525 174.087 -0.562 1 1 851 . 6 1 1 A 74 74 MET CA C 74 53.216 54.442 -1.226 1 1 852 . 6 1 1 A 74 74 MET CB C 74 33.610 35.906 -2.296 1 1 855 . 6 1 1 A 74 74 MET N N 74 119.820 119.203 0.617 1 1 856 . 6 1 1 A 75 75 VAL H H 75 7.651 8.543 -0.892 1 1 857 . 6 1 1 A 75 75 VAL HA H 75 4.361 4.674 -0.313 1 1 865 . 6 1 1 A 75 75 VAL C C 75 174.677 174.935 -0.258 1 1 866 . 6 1 1 A 75 75 VAL CA C 75 61.581 61.590 -0.009 1 1 867 . 6 1 1 A 75 75 VAL CB C 75 32.345 32.405 -0.060 1 1 870 . 6 1 1 A 75 75 VAL N N 75 121.287 125.478 -4.191 1 1 871 . 6 1 1 A 76 76 TYR H H 76 9.405 8.914 0.491 1 1 872 . 6 1 1 A 76 76 TYR HA H 76 4.743 5.139 -0.396 1 1 879 . 6 1 1 A 76 76 TYR C C 76 174.740 174.959 -0.219 1 1 880 . 6 1 1 A 76 76 TYR CA C 76 57.424 56.547 0.877 1 1 881 . 6 1 1 A 76 76 TYR CB C 76 41.151 41.796 -0.645 1 1 886 . 6 1 1 A 76 76 TYR N N 76 126.231 126.241 -0.010 1 1 887 . 6 1 1 A 77 77 VAL H H 77 8.867 8.717 0.150 1 1 888 . 6 1 1 A 77 77 VAL HA H 77 4.318 4.477 -0.159 1 1 896 . 6 1 1 A 77 77 VAL C C 77 175.773 175.196 0.577 1 1 897 . 6 1 1 A 77 77 VAL CA C 77 61.473 62.478 -1.005 1 1 898 . 6 1 1 A 77 77 VAL CB C 77 31.218 30.537 0.681 1 1 901 . 6 1 1 A 77 77 VAL N N 77 123.699 124.202 -0.503 1 1 902 . 6 1 1 A 78 78 VAL H H 78 8.683 8.973 -0.290 1 1 903 . 6 1 1 A 78 78 VAL HA H 78 4.995 4.886 0.109 1 1 911 . 6 1 1 A 78 78 VAL C C 78 175.275 175.282 -0.007 1 1 912 . 6 1 1 A 78 78 VAL CA C 78 60.942 61.451 -0.509 1 1 913 . 6 1 1 A 78 78 VAL CB C 78 34.790 32.931 1.859 1 1 916 . 6 1 1 A 78 78 VAL N N 78 124.155 128.590 -4.435 1 1 917 . 6 1 1 A 79 79 GLN H H 79 8.613 9.082 -0.469 1 1 918 . 6 1 1 A 79 79 GLN HA H 79 4.511 5.065 -0.554 1 1 925 . 6 1 1 A 79 79 GLN C C 79 173.361 174.206 -0.845 1 1 926 . 6 1 1 A 79 79 GLN CA C 79 54.666 53.996 0.670 1 1 927 . 6 1 1 A 79 79 GLN CB C 79 36.751 32.724 4.027 1 1 929 . 6 1 1 A 79 79 GLN N N 79 121.693 125.617 -3.924 1 1 931 . 6 1 1 A 80 80 VAL H H 80 9.019 8.493 0.526 1 1 932 . 6 1 1 A 80 80 VAL HA H 80 5.801 5.311 0.490 1 1 940 . 6 1 1 A 80 80 VAL C C 80 174.526 174.414 0.112 1 1 941 . 6 1 1 A 80 80 VAL CA C 80 58.750 59.365 -0.615 1 1 942 . 6 1 1 A 80 80 VAL CB C 80 35.479 34.652 0.827 1 1 945 . 6 1 1 A 80 80 VAL N N 80 118.559 121.573 -3.014 1 1 946 . 6 1 1 A 81 81 ARG H H 81 9.199 8.881 0.318 1 1 947 . 6 1 1 A 81 81 ARG HA H 81 4.951 5.019 -0.068 1 1 955 . 6 1 1 A 81 81 ARG C C 81 172.660 174.299 -1.639 1 1 956 . 6 1 1 A 81 81 ARG CA C 81 54.295 53.507 0.788 1 1 957 . 6 1 1 A 81 81 ARG CB C 81 33.750 33.844 -0.094 1 1 960 . 6 1 1 A 81 81 ARG N N 81 125.225 126.692 -1.467 1 1 962 . 6 1 1 A 82 82 ALA H H 82 8.762 8.674 0.088 1 1 963 . 6 1 1 A 82 82 ALA HA H 82 4.820 5.222 -0.402 1 1 967 . 6 1 1 A 82 82 ALA C C 82 174.783 175.643 -0.860 1 1 968 . 6 1 1 A 82 82 ALA CA C 82 50.741 50.210 0.531 1 1 969 . 6 1 1 A 82 82 ALA CB C 82 22.383 20.985 1.398 1 1 970 . 6 1 1 A 82 82 ALA N N 82 124.292 122.594 1.698 1 1 971 . 6 1 1 A 83 83 ARG H H 83 8.336 8.281 0.055 1 1 972 . 6 1 1 A 83 83 ARG HA H 83 4.737 5.061 -0.324 1 1 980 . 6 1 1 A 83 83 ARG C C 83 175.290 174.673 0.617 1 1 981 . 6 1 1 A 83 83 ARG CA C 83 55.727 53.993 1.734 1 1 982 . 6 1 1 A 83 83 ARG CB C 83 34.562 33.619 0.943 1 1 985 . 6 1 1 A 83 83 ARG N N 83 121.023 123.474 -2.451 1 1 987 . 6 1 1 A 84 84 THR H H 84 8.485 8.475 0.010 1 1 988 . 6 1 1 A 84 84 THR HA H 84 4.875 4.697 0.178 1 1 993 . 6 1 1 A 84 84 THR C C 84 176.218 174.852 1.366 1 1 994 . 6 1 1 A 84 84 THR CA C 84 59.475 59.761 -0.286 1 1 995 . 6 1 1 A 84 84 THR CB C 84 72.440 72.020 0.420 1 1 997 . 6 1 1 A 84 84 THR N N 84 116.374 115.949 0.425 1 1 998 . 6 1 1 A 85 85 VAL H H 85 9.283 8.711 0.572 1 1 999 . 6 1 1 A 85 85 VAL HA H 85 3.794 3.845 -0.051 1 1 1007 . 6 1 1 A 85 85 VAL C C 85 175.930 177.059 -1.129 1 1 1008 . 6 1 1 A 85 85 VAL CA C 85 64.934 64.473 0.461 1 1 1009 . 6 1 1 A 85 85 VAL CB C 85 31.621 31.639 -0.018 1 1 1012 . 6 1 1 A 85 85 VAL N N 85 119.099 121.533 -2.434 1 1 1013 . 6 1 1 A 86 86 ALA H H 86 7.840 7.567 0.273 1 1 1014 . 6 1 1 A 86 86 ALA HA H 86 4.242 4.180 0.062 1 1 1018 . 6 1 1 A 86 86 ALA C C 86 177.467 177.276 0.191 1 1 1019 . 6 1 1 A 86 86 ALA CA C 86 52.774 53.904 -1.130 1 1 1020 . 6 1 1 A 86 86 ALA CB C 86 19.733 19.963 -0.230 1 1 1021 . 6 1 1 A 86 86 ALA N N 86 121.263 122.132 -0.869 1 1 1022 . 6 1 1 A 87 87 GLY H H 87 7.365 7.238 0.127 1 1 1023 . 6 1 1 A 87 87 GLY HA2 H 87 4.402 3.971 0.431 1 1 1024 . 6 1 1 A 87 87 GLY HA3 H 87 3.588 4.056 -0.468 1 1 1025 . 6 1 1 A 87 87 GLY C C 87 171.960 171.133 0.827 1 1 1026 . 6 1 1 A 87 87 GLY CA C 87 44.170 46.015 -1.845 1 1 1027 . 6 1 1 A 87 87 GLY N N 87 105.736 102.033 3.703 1 1 1028 . 6 1 1 A 88 88 TYR H H 88 8.444 8.541 -0.097 1 1 1029 . 6 1 1 A 88 88 TYR HA H 88 5.063 4.796 0.267 1 1 1036 . 6 1 1 A 88 88 TYR C C 88 179.239 175.386 3.853 1 1 1037 . 6 1 1 A 88 88 TYR CA C 88 58.308 56.293 2.015 1 1 1038 . 6 1 1 A 88 88 TYR CB C 88 41.442 40.228 1.214 1 1 1043 . 6 1 1 A 88 88 TYR N N 88 116.996 120.574 -3.578 1 1 1044 . 6 1 1 A 89 89 GLY H H 89 8.676 8.217 0.459 1 1 1045 . 6 1 1 A 89 89 GLY HA2 H 89 4.324 4.194 0.130 1 1 1046 . 6 1 1 A 89 89 GLY HA3 H 89 3.973 4.215 -0.242 1 1 1047 . 6 1 1 A 89 89 GLY C C 89 173.844 172.919 0.925 1 1 1048 . 6 1 1 A 89 89 GLY CA C 89 43.916 44.065 -0.149 1 1 1049 . 6 1 1 A 89 89 GLY N N 89 107.850 110.458 -2.608 1 1 1050 . 6 1 1 A 90 90 LYS H H 90 8.711 8.243 0.468 1 1 1051 . 6 1 1 A 90 90 LYS HA H 90 4.166 4.181 -0.015 1 1 1060 . 6 1 1 A 90 90 LYS C C 90 177.819 176.949 0.870 1 1 1061 . 6 1 1 A 90 90 LYS CA C 90 56.162 56.270 -0.108 1 1 1062 . 6 1 1 A 90 90 LYS CB C 90 32.730 32.838 -0.108 1 1 1066 . 6 1 1 A 90 90 LYS N N 90 119.382 119.826 -0.444 1 1 1067 . 6 1 1 A 91 91 PHE H H 91 8.698 8.840 -0.142 1 1 1068 . 6 1 1 A 91 91 PHE HA H 91 4.241 4.720 -0.479 1 1 1076 . 6 1 1 A 91 91 PHE C C 91 176.805 175.846 0.959 1 1 1077 . 6 1 1 A 91 91 PHE CA C 91 61.027 57.947 3.080 1 1 1078 . 6 1 1 A 91 91 PHE CB C 91 39.995 39.569 0.426 1 1 1084 . 6 1 1 A 91 91 PHE N N 91 120.691 121.710 -1.019 1 1 1085 . 6 1 1 A 92 92 SER H H 92 8.311 8.693 -0.382 1 1 1086 . 6 1 1 A 92 92 SER HA H 92 4.259 4.604 -0.345 1 1 1089 . 6 1 1 A 92 92 SER C C 92 173.499 174.863 -1.364 1 1 1090 . 6 1 1 A 92 92 SER CA C 92 58.146 57.724 0.422 1 1 1091 . 6 1 1 A 92 92 SER CB C 92 65.329 64.973 0.356 1 1 1092 . 6 1 1 A 92 92 SER N N 92 115.098 116.459 -1.361 1 1 1093 . 6 1 1 A 93 93 GLY H H 93 8.869 8.595 0.274 1 1 1094 . 6 1 1 A 93 93 GLY HA2 H 93 4.071 3.942 0.129 1 1 1095 . 6 1 1 A 93 93 GLY HA3 H 93 3.780 3.951 -0.171 1 1 1096 . 6 1 1 A 93 93 GLY C C 93 174.375 174.203 0.172 1 1 1097 . 6 1 1 A 93 93 GLY CA C 93 45.331 46.043 -0.712 1 1 1098 . 6 1 1 A 93 93 GLY N N 93 106.252 108.201 -1.949 1 1 1099 . 6 1 1 A 94 94 LYS H H 94 8.619 8.424 0.195 1 1 1100 . 6 1 1 A 94 94 LYS HA H 94 3.633 4.051 -0.418 1 1 1109 . 6 1 1 A 94 94 LYS C C 94 176.004 176.036 -0.032 1 1 1110 . 6 1 1 A 94 94 LYS CA C 94 59.068 57.477 1.591 1 1 1111 . 6 1 1 A 94 94 LYS CB C 94 33.072 32.689 0.383 1 1 1115 . 6 1 1 A 94 94 LYS N N 94 122.645 124.872 -2.227 1 1 1116 . 6 1 1 A 95 95 MET H H 95 7.547 8.734 -1.187 1 1 1117 . 6 1 1 A 95 95 MET HA H 95 4.520 5.180 -0.660 1 1 1125 . 6 1 1 A 95 95 MET C C 95 173.400 174.155 -0.755 1 1 1126 . 6 1 1 A 95 95 MET CA C 95 54.701 53.885 0.816 1 1 1127 . 6 1 1 A 95 95 MET CB C 95 37.784 35.597 2.187 1 1 1130 . 6 1 1 A 95 95 MET N N 95 122.392 123.205 -0.813 1 1 1131 . 6 1 1 A 96 96 CYS H H 96 7.888 8.747 -0.859 1 1 1132 . 6 1 1 A 96 96 CYS HA H 96 5.465 5.219 0.246 1 1 1135 . 6 1 1 A 96 96 CYS C C 96 173.757 172.788 0.969 1 1 1136 . 6 1 1 A 96 96 CYS CA C 96 57.353 57.598 -0.245 1 1 1137 . 6 1 1 A 96 96 CYS CB C 96 29.941 30.103 -0.162 1 1 1138 . 6 1 1 A 96 96 CYS N N 96 117.124 120.527 -3.403 1 1 1139 . 6 1 1 A 97 97 PHE H H 97 9.133 9.011 0.122 1 1 1140 . 6 1 1 A 97 97 PHE HA H 97 4.879 5.182 -0.303 1 1 1148 . 6 1 1 A 97 97 PHE C C 97 173.309 174.367 -1.058 1 1 1149 . 6 1 1 A 97 97 PHE CA C 97 56.983 56.472 0.511 1 1 1150 . 6 1 1 A 97 97 PHE CB C 97 44.074 42.054 2.020 1 1 1156 . 6 1 1 A 97 97 PHE N N 97 121.239 123.910 -2.671 1 1 1157 . 6 1 1 A 98 98 GLN H H 98 8.884 9.028 -0.144 1 1 1158 . 6 1 1 A 98 98 GLN HA H 98 5.809 5.339 0.470 1 1 1165 . 6 1 1 A 98 98 GLN C C 98 176.454 176.062 0.392 1 1 1166 . 6 1 1 A 98 98 GLN CA C 98 54.125 54.241 -0.116 1 1 1167 . 6 1 1 A 98 98 GLN CB C 98 33.444 30.933 2.511 1 1 1169 . 6 1 1 A 98 98 GLN N N 98 120.699 124.082 -3.383 1 1 1171 . 6 1 1 A 99 99 THR H H 99 8.176 8.635 -0.459 1 1 1172 . 6 1 1 A 99 99 THR HA H 99 4.324 4.577 -0.253 1 1 1177 . 6 1 1 A 99 99 THR C C 99 175.929 174.075 1.854 1 1 1178 . 6 1 1 A 99 99 THR CA C 99 60.341 61.776 -1.435 1 1 1179 . 6 1 1 A 99 99 THR CB C 99 70.070 71.258 -1.188 1 1 1181 . 6 1 1 A 99 99 THR N N 99 112.214 117.002 -4.788 1 1 1182 . 6 1 1 A 100 100 LEU H H 100 7.368 8.249 -0.881 1 1 1183 . 6 1 1 A 100 100 LEU HA H 100 4.310 4.534 -0.224 1 1 1193 . 6 1 1 A 100 100 LEU C C 100 177.359 176.480 0.879 1 1 1194 . 6 1 1 A 100 100 LEU CA C 100 54.790 54.815 -0.025 1 1 1195 . 6 1 1 A 100 100 LEU CB C 100 42.096 42.340 -0.244 1 1 1199 . 6 1 1 A 100 100 LEU N N 100 117.018 122.586 -5.568 1 1 1200 . 6 1 1 A 101 101 THR H H 101 7.997 8.470 -0.473 1 1 1201 . 6 1 1 A 101 101 THR HA H 101 4.123 4.983 -0.860 1 1 1206 . 6 1 1 A 101 101 THR C C 101 174.014 174.583 -0.569 1 1 1207 . 6 1 1 A 101 101 THR CA C 101 61.968 60.766 1.202 1 1 1208 . 6 1 1 A 101 101 THR CB C 101 70.172 70.001 0.171 1 1 1210 . 6 1 1 A 101 101 THR N N 101 110.428 114.740 -4.312 1 1 1211 . 6 1 1 A 102 102 ASP H H 102 8.320 8.736 -0.416 1 1 1212 . 6 1 1 A 102 102 ASP HA H 102 4.853 4.312 0.541 1 1 1215 . 6 1 1 A 102 102 ASP C C 102 176.204 175.121 1.083 1 1 1216 . 6 1 1 A 102 102 ASP CA C 102 53.694 57.352 -3.658 1 1 1217 . 6 1 1 A 102 102 ASP CB C 102 41.808 41.440 0.368 1 1 1218 . 6 1 1 A 102 102 ASP N N 102 120.693 126.078 -5.385 1 1 1219 . 6 1 1 A 103 103 SER H H 103 8.294 7.963 0.331 1 1 1220 . 6 1 1 A 103 103 SER HA H 103 4.486 4.968 -0.482 1 1 1223 . 6 1 1 A 103 103 SER C C 103 174.875 173.904 0.971 1 1 1224 . 6 1 1 A 103 103 SER CA C 103 58.361 57.392 0.969 1 1 1225 . 6 1 1 A 103 103 SER CB C 103 63.942 65.172 -1.230 1 1 1226 . 6 1 1 A 103 103 SER N N 103 117.442 110.939 6.503 1 1 1227 . 6 1 1 A 104 104 GLY H H 104 8.393 8.692 -0.299 1 1 1228 . 6 1 1 A 104 104 GLY HA2 H 104 4.104 4.036 0.068 1 1 1229 . 6 1 1 A 104 104 GLY HA3 H 104 4.104 4.036 0.068 1 1 1230 . 6 1 1 A 104 104 GLY C C 104 172.016 173.995 -1.979 1 1 1231 . 6 1 1 A 104 104 GLY CA C 104 44.800 46.099 -1.299 1 1 1232 . 6 1 1 A 104 104 GLY N N 104 111.065 113.518 -2.453 1 1 1233 . 6 1 1 A 105 105 PRO HA H 105 4.475 4.577 -0.102 1 1 1240 . 6 1 1 A 105 105 PRO C C 105 177.464 177.376 0.088 1 1 1241 . 6 1 1 A 105 105 PRO CA C 105 63.329 62.628 0.701 1 1 1242 . 6 1 1 A 105 105 PRO CB C 105 32.249 31.419 0.830 1 1 1245 . 6 1 1 A 106 106 SER H H 106 8.514 8.676 -0.162 1 1 1246 . 6 1 1 A 106 106 SER HA H 106 4.512 4.165 0.347 1 1 1249 . 6 1 1 A 106 106 SER C C 106 174.735 175.550 -0.815 1 1 1250 . 6 1 1 A 106 106 SER CA C 106 58.361 61.299 -2.938 1 1 1251 . 6 1 1 A 106 106 SER CB C 106 63.820 62.811 1.009 1 1 1252 . 6 1 1 A 106 106 SER N N 106 116.429 120.565 -4.136 1 1 1253 . 6 1 1 A 107 107 SER H H 107 8.329 7.767 0.562 1 1 1254 . 6 1 1 A 107 107 SER HA H 107 4.512 4.313 0.199 1 1 1257 . 6 1 1 A 107 107 SER C C 107 174.004 175.591 -1.587 1 1 1258 . 6 1 1 A 107 107 SER CA C 107 58.414 59.686 -1.272 1 1 1259 . 6 1 1 A 107 107 SER CB C 107 64.014 64.146 -0.132 1 1 1260 . 6 1 1 A 107 107 SER N N 107 117.919 117.338 0.581 1 1 1 . 7 1 1 A 6 6 SER HA H 6 4.523 5.115 -0.592 1 1 3 . 7 1 1 A 6 6 SER CA C 6 58.535 56.234 2.301 1 1 4 . 7 1 1 A 6 6 SER CB C 6 64.106 66.127 -2.021 1 1 5 . 7 1 1 A 7 7 GLY H H 7 8.202 8.593 -0.391 1 1 6 . 7 1 1 A 7 7 GLY HA2 H 7 3.881 4.107 -0.226 1 1 7 . 7 1 1 A 7 7 GLY HA3 H 7 3.740 4.109 -0.369 1 1 8 . 7 1 1 A 7 7 GLY CA C 7 44.322 44.512 -0.190 1 1 9 . 7 1 1 A 7 7 GLY N N 7 109.573 110.889 -1.316 1 1 10 . 7 1 1 A 8 8 PRO HA H 8 4.641 4.460 0.181 1 1 17 . 7 1 1 A 8 8 PRO C C 8 176.480 176.692 -0.212 1 1 18 . 7 1 1 A 8 8 PRO CA C 8 62.582 62.545 0.037 1 1 19 . 7 1 1 A 8 8 PRO CB C 8 32.331 31.895 0.436 1 1 22 . 7 1 1 A 9 9 SER H H 9 8.061 8.259 -0.198 1 1 23 . 7 1 1 A 9 9 SER HA H 9 4.374 4.468 -0.094 1 1 26 . 7 1 1 A 9 9 SER C C 9 173.090 173.647 -0.557 1 1 27 . 7 1 1 A 9 9 SER CA C 9 58.754 58.780 -0.026 1 1 28 . 7 1 1 A 9 9 SER CB C 9 63.667 64.118 -0.451 1 1 29 . 7 1 1 A 9 9 SER N N 9 115.137 117.427 -2.290 1 1 30 . 7 1 1 A 10 10 THR H H 10 8.359 8.514 -0.155 1 1 31 . 7 1 1 A 10 10 THR HA H 10 4.027 4.957 -0.930 1 1 36 . 7 1 1 A 10 10 THR C C 10 175.380 173.310 2.070 1 1 37 . 7 1 1 A 10 10 THR CA C 10 62.781 60.129 2.652 1 1 38 . 7 1 1 A 10 10 THR CB C 10 69.617 72.036 -2.419 1 1 40 . 7 1 1 A 10 10 THR N N 10 115.079 117.748 -2.669 1 1 41 . 7 1 1 A 11 11 VAL H H 11 9.280 8.669 0.611 1 1 42 . 7 1 1 A 11 11 VAL HA H 11 4.097 4.146 -0.049 1 1 50 . 7 1 1 A 11 11 VAL C C 11 175.706 176.355 -0.649 1 1 51 . 7 1 1 A 11 11 VAL CA C 11 61.518 61.075 0.443 1 1 52 . 7 1 1 A 11 11 VAL CB C 11 33.174 32.072 1.102 1 1 55 . 7 1 1 A 11 11 VAL N N 11 131.182 126.683 4.499 1 1 56 . 7 1 1 A 12 12 PRO HA H 12 4.415 4.451 -0.036 1 1 63 . 7 1 1 A 12 12 PRO C C 12 175.612 176.366 -0.754 1 1 64 . 7 1 1 A 12 12 PRO CA C 12 64.850 64.957 -0.107 1 1 65 . 7 1 1 A 12 12 PRO CB C 12 32.578 32.163 0.415 1 1 68 . 7 1 1 A 13 13 ILE H H 13 7.251 7.536 -0.285 1 1 69 . 7 1 1 A 13 13 ILE HA H 13 4.439 4.596 -0.157 1 1 79 . 7 1 1 A 13 13 ILE C C 13 170.969 173.308 -2.339 1 1 80 . 7 1 1 A 13 13 ILE CA C 13 59.973 59.157 0.816 1 1 81 . 7 1 1 A 13 13 ILE CB C 13 40.776 41.239 -0.463 1 1 85 . 7 1 1 A 13 13 ILE N N 13 115.827 116.177 -0.350 1 1 86 . 7 1 1 A 14 14 MET H H 14 6.827 8.763 -1.936 1 1 87 . 7 1 1 A 14 14 MET HA H 14 4.961 5.376 -0.415 1 1 95 . 7 1 1 A 14 14 MET C C 14 173.380 174.426 -1.046 1 1 96 . 7 1 1 A 14 14 MET CA C 14 55.214 53.943 1.271 1 1 97 . 7 1 1 A 14 14 MET CB C 14 38.223 36.038 2.185 1 1 100 . 7 1 1 A 14 14 MET N N 14 116.754 124.791 -8.037 1 1 101 . 7 1 1 A 15 15 HIS H H 15 9.417 9.432 -0.015 1 1 102 . 7 1 1 A 15 15 HIS HA H 15 4.958 5.227 -0.269 1 1 107 . 7 1 1 A 15 15 HIS C C 15 173.901 174.113 -0.212 1 1 108 . 7 1 1 A 15 15 HIS CA C 15 55.190 54.137 1.053 1 1 109 . 7 1 1 A 15 15 HIS CB C 15 33.361 33.619 -0.258 1 1 112 . 7 1 1 A 15 15 HIS N N 15 118.539 118.632 -0.093 1 1 113 . 7 1 1 A 16 16 GLN H H 16 9.164 8.965 0.199 1 1 114 . 7 1 1 A 16 16 GLN HA H 16 4.385 4.486 -0.101 1 1 121 . 7 1 1 A 16 16 GLN C C 16 175.463 175.171 0.292 1 1 122 . 7 1 1 A 16 16 GLN CA C 16 55.992 55.374 0.618 1 1 123 . 7 1 1 A 16 16 GLN CB C 16 29.159 30.394 -1.235 1 1 125 . 7 1 1 A 16 16 GLN N N 16 123.267 124.424 -1.157 1 1 127 . 7 1 1 A 17 17 VAL H H 17 8.983 8.961 0.022 1 1 128 . 7 1 1 A 17 17 VAL HA H 17 3.910 4.112 -0.202 1 1 136 . 7 1 1 A 17 17 VAL C C 17 176.328 175.611 0.717 1 1 137 . 7 1 1 A 17 17 VAL CA C 17 63.807 63.453 0.354 1 1 138 . 7 1 1 A 17 17 VAL CB C 17 33.088 32.910 0.178 1 1 141 . 7 1 1 A 17 17 VAL N N 17 128.880 127.336 1.544 1 1 142 . 7 1 1 A 18 18 SER H H 18 7.740 7.505 0.235 1 1 143 . 7 1 1 A 18 18 SER HA H 18 4.589 4.596 -0.007 1 1 146 . 7 1 1 A 18 18 SER C C 18 171.965 172.224 -0.259 1 1 147 . 7 1 1 A 18 18 SER CA C 18 57.441 56.783 0.658 1 1 148 . 7 1 1 A 18 18 SER CB C 18 64.058 64.661 -0.603 1 1 149 . 7 1 1 A 18 18 SER N N 18 110.447 111.358 -0.911 1 1 150 . 7 1 1 A 19 19 ALA H H 19 8.114 8.445 -0.331 1 1 151 . 7 1 1 A 19 19 ALA HA H 19 5.086 4.835 0.251 1 1 155 . 7 1 1 A 19 19 ALA C C 19 176.404 175.964 0.440 1 1 156 . 7 1 1 A 19 19 ALA CA C 19 52.453 51.543 0.910 1 1 157 . 7 1 1 A 19 19 ALA CB C 19 23.038 23.118 -0.080 1 1 158 . 7 1 1 A 19 19 ALA N N 19 121.116 124.034 -2.918 1 1 159 . 7 1 1 A 20 20 THR H H 20 8.710 8.566 0.144 1 1 160 . 7 1 1 A 20 20 THR HA H 20 4.787 4.868 -0.081 1 1 165 . 7 1 1 A 20 20 THR C C 20 175.596 174.706 0.890 1 1 166 . 7 1 1 A 20 20 THR CA C 20 60.341 59.861 0.480 1 1 167 . 7 1 1 A 20 20 THR CB C 20 71.307 71.793 -0.486 1 1 169 . 7 1 1 A 20 20 THR N N 20 110.762 109.718 1.044 1 1 170 . 7 1 1 A 21 21 MET H H 21 8.686 8.685 0.001 1 1 171 . 7 1 1 A 21 21 MET HA H 21 4.618 4.387 0.231 1 1 179 . 7 1 1 A 21 21 MET C C 21 174.754 176.536 -1.782 1 1 180 . 7 1 1 A 21 21 MET CA C 21 59.272 57.306 1.966 1 1 181 . 7 1 1 A 21 21 MET CB C 21 34.488 32.806 1.682 1 1 184 . 7 1 1 A 21 21 MET N N 21 118.478 119.784 -1.306 1 1 185 . 7 1 1 A 22 22 ARG H H 22 7.296 7.471 -0.175 1 1 186 . 7 1 1 A 22 22 ARG HA H 22 4.453 4.715 -0.262 1 1 193 . 7 1 1 A 22 22 ARG C C 22 174.722 175.243 -0.521 1 1 194 . 7 1 1 A 22 22 ARG CA C 22 54.218 55.328 -1.110 1 1 195 . 7 1 1 A 22 22 ARG CB C 22 32.509 31.380 1.129 1 1 198 . 7 1 1 A 22 22 ARG N N 22 108.176 117.218 -9.042 1 1 199 . 7 1 1 A 23 23 SER H H 23 7.387 7.618 -0.231 1 1 200 . 7 1 1 A 23 23 SER HA H 23 5.353 4.925 0.428 1 1 203 . 7 1 1 A 23 23 SER C C 23 171.910 172.482 -0.572 1 1 204 . 7 1 1 A 23 23 SER CA C 23 57.230 57.646 -0.416 1 1 205 . 7 1 1 A 23 23 SER CB C 23 68.011 67.367 0.644 1 1 206 . 7 1 1 A 23 23 SER N N 23 114.861 113.929 0.932 1 1 207 . 7 1 1 A 24 24 ILE H H 24 8.061 8.266 -0.205 1 1 208 . 7 1 1 A 24 24 ILE HA H 24 4.470 4.663 -0.193 1 1 218 . 7 1 1 A 24 24 ILE C C 24 174.028 174.709 -0.681 1 1 219 . 7 1 1 A 24 24 ILE CA C 24 61.402 59.859 1.543 1 1 220 . 7 1 1 A 24 24 ILE CB C 24 43.249 42.270 0.979 1 1 224 . 7 1 1 A 24 24 ILE N N 24 116.152 121.056 -4.904 1 1 225 . 7 1 1 A 25 25 THR H H 25 8.584 8.730 -0.146 1 1 226 . 7 1 1 A 25 25 THR HA H 25 5.107 5.115 -0.008 1 1 231 . 7 1 1 A 25 25 THR C C 25 173.463 173.173 0.290 1 1 232 . 7 1 1 A 25 25 THR CA C 25 62.127 61.589 0.538 1 1 233 . 7 1 1 A 25 25 THR CB C 25 68.954 70.504 -1.550 1 1 235 . 7 1 1 A 25 25 THR N N 25 122.080 121.175 0.905 1 1 236 . 7 1 1 A 26 26 LEU H H 26 9.093 8.548 0.545 1 1 237 . 7 1 1 A 26 26 LEU HA H 26 5.427 4.981 0.446 1 1 247 . 7 1 1 A 26 26 LEU C C 26 175.180 175.385 -0.205 1 1 248 . 7 1 1 A 26 26 LEU CA C 26 53.181 53.268 -0.087 1 1 249 . 7 1 1 A 26 26 LEU CB C 26 46.902 46.520 0.382 1 1 253 . 7 1 1 A 26 26 LEU N N 26 128.231 126.732 1.499 1 1 254 . 7 1 1 A 27 27 SER H H 27 9.260 8.726 0.534 1 1 255 . 7 1 1 A 27 27 SER HA H 27 4.757 4.711 0.046 1 1 258 . 7 1 1 A 27 27 SER C C 27 172.413 172.608 -0.195 1 1 259 . 7 1 1 A 27 27 SER CA C 27 56.912 57.337 -0.425 1 1 260 . 7 1 1 A 27 27 SER CB C 27 66.220 66.025 0.195 1 1 261 . 7 1 1 A 27 27 SER N N 27 115.325 114.419 0.906 1 1 262 . 7 1 1 A 28 28 TRP H H 28 7.430 7.916 -0.486 1 1 263 . 7 1 1 A 28 28 TRP HA H 28 5.212 5.623 -0.411 1 1 272 . 7 1 1 A 28 28 TRP C C 28 171.555 173.476 -1.921 1 1 273 . 7 1 1 A 28 28 TRP CA C 28 55.143 54.531 0.612 1 1 274 . 7 1 1 A 28 28 TRP CB C 28 28.918 32.323 -3.405 1 1 280 . 7 1 1 A 28 28 TRP N N 28 119.703 122.818 -3.115 1 1 282 . 7 1 1 A 29 29 PRO HA H 29 4.543 4.546 -0.003 1 1 289 . 7 1 1 A 29 29 PRO C C 29 175.962 176.484 -0.522 1 1 290 . 7 1 1 A 29 29 PRO CA C 29 61.702 62.991 -1.289 1 1 291 . 7 1 1 A 29 29 PRO CB C 29 32.041 31.922 0.119 1 1 294 . 7 1 1 A 30 30 GLN H H 30 8.248 8.520 -0.272 1 1 295 . 7 1 1 A 30 30 GLN HA H 30 4.654 4.592 0.062 1 1 302 . 7 1 1 A 30 30 GLN C C 30 174.856 175.109 -0.253 1 1 303 . 7 1 1 A 30 30 GLN CA C 30 54.524 54.097 0.427 1 1 304 . 7 1 1 A 30 30 GLN CB C 30 28.623 29.576 -0.953 1 1 306 . 7 1 1 A 30 30 GLN N N 30 117.321 121.519 -4.198 1 1 308 . 7 1 1 A 31 31 PRO HA H 31 4.116 4.793 -0.677 1 1 315 . 7 1 1 A 31 31 PRO C C 31 175.787 176.022 -0.235 1 1 316 . 7 1 1 A 31 31 PRO CA C 31 63.364 62.791 0.573 1 1 317 . 7 1 1 A 31 31 PRO CB C 31 32.503 33.563 -1.060 1 1 320 . 7 1 1 A 32 32 GLU H H 32 8.367 8.385 -0.018 1 1 321 . 7 1 1 A 32 32 GLU HA H 32 4.004 4.603 -0.599 1 1 326 . 7 1 1 A 32 32 GLU C C 32 176.748 176.941 -0.193 1 1 327 . 7 1 1 A 32 32 GLU CA C 32 58.644 56.050 2.594 1 1 328 . 7 1 1 A 32 32 GLU CB C 32 30.271 31.199 -0.928 1 1 330 . 7 1 1 A 32 32 GLU N N 32 122.959 116.344 6.615 1 1 331 . 7 1 1 A 33 33 GLN H H 33 8.220 7.729 0.491 1 1 332 . 7 1 1 A 33 33 GLN HA H 33 4.820 4.855 -0.035 1 1 339 . 7 1 1 A 33 33 GLN C C 33 172.938 174.294 -1.356 1 1 340 . 7 1 1 A 33 33 GLN CA C 33 52.544 53.593 -1.049 1 1 341 . 7 1 1 A 33 33 GLN CB C 33 29.077 29.180 -0.103 1 1 343 . 7 1 1 A 33 33 GLN N N 33 116.413 119.299 -2.886 1 1 345 . 7 1 1 A 34 34 PRO HA H 34 4.039 4.424 -0.385 1 1 352 . 7 1 1 A 34 34 PRO C C 34 175.293 176.725 -1.432 1 1 353 . 7 1 1 A 34 34 PRO CA C 34 64.248 63.735 0.513 1 1 354 . 7 1 1 A 34 34 PRO CB C 34 31.974 31.964 0.010 1 1 357 . 7 1 1 A 35 35 ASN H H 35 8.478 8.097 0.381 1 1 358 . 7 1 1 A 35 35 ASN HA H 35 4.270 4.374 -0.104 1 1 363 . 7 1 1 A 35 35 ASN C C 35 173.982 174.599 -0.617 1 1 364 . 7 1 1 A 35 35 ASN CA C 35 53.655 54.515 -0.860 1 1 365 . 7 1 1 A 35 35 ASN CB C 35 37.151 36.990 0.161 1 1 366 . 7 1 1 A 35 35 ASN N N 35 111.907 115.359 -3.452 1 1 368 . 7 1 1 A 36 36 GLY H H 36 7.537 8.176 -0.639 1 1 369 . 7 1 1 A 36 36 GLY HA2 H 36 4.247 4.080 0.167 1 1 370 . 7 1 1 A 36 36 GLY HA3 H 36 3.749 4.089 -0.340 1 1 371 . 7 1 1 A 36 36 GLY C C 36 172.062 172.206 -0.144 1 1 372 . 7 1 1 A 36 36 GLY CA C 36 44.147 44.617 -0.470 1 1 373 . 7 1 1 A 36 36 GLY N N 36 105.149 105.245 -0.096 1 1 374 . 7 1 1 A 37 37 ILE H H 37 8.107 8.232 -0.125 1 1 375 . 7 1 1 A 37 37 ILE HA H 37 4.017 4.770 -0.753 1 1 385 . 7 1 1 A 37 37 ILE C C 37 176.534 175.025 1.509 1 1 386 . 7 1 1 A 37 37 ILE CA C 37 60.331 59.900 0.431 1 1 387 . 7 1 1 A 37 37 ILE CB C 37 38.929 40.007 -1.078 1 1 391 . 7 1 1 A 37 37 ILE N N 37 120.104 122.105 -2.001 1 1 392 . 7 1 1 A 38 38 ILE H H 38 8.678 8.942 -0.264 1 1 393 . 7 1 1 A 38 38 ILE HA H 38 3.695 4.176 -0.481 1 1 403 . 7 1 1 A 38 38 ILE C C 38 176.027 175.269 0.758 1 1 404 . 7 1 1 A 38 38 ILE CA C 38 61.811 60.870 0.941 1 1 405 . 7 1 1 A 38 38 ILE CB C 38 37.028 36.889 0.139 1 1 409 . 7 1 1 A 38 38 ILE N N 38 127.591 127.200 0.391 1 1 410 . 7 1 1 A 39 39 LEU H H 39 9.054 8.270 0.784 1 1 411 . 7 1 1 A 39 39 LEU HA H 39 4.188 3.948 0.240 1 1 421 . 7 1 1 A 39 39 LEU C C 39 176.826 176.526 0.300 1 1 422 . 7 1 1 A 39 39 LEU CA C 39 56.416 57.419 -1.003 1 1 423 . 7 1 1 A 39 39 LEU CB C 39 42.664 42.078 0.586 1 1 427 . 7 1 1 A 39 39 LEU N N 39 130.577 129.615 0.962 1 1 428 . 7 1 1 A 40 40 ASP H H 40 7.502 7.449 0.053 1 1 429 . 7 1 1 A 40 40 ASP HA H 40 4.392 4.777 -0.385 1 1 432 . 7 1 1 A 40 40 ASP C C 40 171.781 172.569 -0.788 1 1 433 . 7 1 1 A 40 40 ASP CA C 40 52.884 52.703 0.181 1 1 434 . 7 1 1 A 40 40 ASP CB C 40 41.985 42.150 -0.165 1 1 435 . 7 1 1 A 40 40 ASP N N 40 112.731 113.215 -0.484 1 1 436 . 7 1 1 A 41 41 TYR H H 41 8.974 8.860 0.114 1 1 437 . 7 1 1 A 41 41 TYR HA H 41 5.379 5.248 0.131 1 1 444 . 7 1 1 A 41 41 TYR C C 41 175.555 175.121 0.434 1 1 445 . 7 1 1 A 41 41 TYR CA C 41 56.574 56.827 -0.253 1 1 446 . 7 1 1 A 41 41 TYR CB C 41 42.213 41.319 0.894 1 1 449 . 7 1 1 A 41 41 TYR N N 41 111.324 116.338 -5.014 1 1 450 . 7 1 1 A 42 42 GLU H H 42 9.184 8.982 0.202 1 1 451 . 7 1 1 A 42 42 GLU HA H 42 5.066 4.985 0.081 1 1 456 . 7 1 1 A 42 42 GLU C C 42 174.368 175.728 -1.360 1 1 457 . 7 1 1 A 42 42 GLU CA C 42 55.126 56.439 -1.313 1 1 458 . 7 1 1 A 42 42 GLU CB C 42 33.471 31.375 2.096 1 1 460 . 7 1 1 A 42 42 GLU N N 42 120.875 123.850 -2.975 1 1 461 . 7 1 1 A 43 43 ILE H H 43 9.355 9.207 0.148 1 1 462 . 7 1 1 A 43 43 ILE HA H 43 4.853 5.309 -0.456 1 1 472 . 7 1 1 A 43 43 ILE C C 43 174.430 174.307 0.123 1 1 473 . 7 1 1 A 43 43 ILE CA C 43 60.323 60.281 0.042 1 1 474 . 7 1 1 A 43 43 ILE CB C 43 40.297 40.572 -0.275 1 1 478 . 7 1 1 A 43 43 ILE N N 43 126.045 124.728 1.317 1 1 479 . 7 1 1 A 44 44 ARG H H 44 9.097 9.041 0.056 1 1 480 . 7 1 1 A 44 44 ARG HA H 44 5.545 5.191 0.354 1 1 487 . 7 1 1 A 44 44 ARG C C 44 175.523 174.450 1.073 1 1 488 . 7 1 1 A 44 44 ARG CA C 44 54.386 54.374 0.012 1 1 489 . 7 1 1 A 44 44 ARG CB C 44 34.638 33.057 1.581 1 1 492 . 7 1 1 A 44 44 ARG N N 44 127.831 129.000 -1.169 1 1 493 . 7 1 1 A 45 45 TYR H H 45 8.893 8.319 0.574 1 1 494 . 7 1 1 A 45 45 TYR HA H 45 6.272 5.955 0.317 1 1 501 . 7 1 1 A 45 45 TYR C C 45 173.560 173.215 0.345 1 1 502 . 7 1 1 A 45 45 TYR CA C 45 54.767 55.512 -0.745 1 1 503 . 7 1 1 A 45 45 TYR CB C 45 43.168 41.844 1.324 1 1 508 . 7 1 1 A 45 45 TYR N N 45 123.683 123.167 0.516 1 1 509 . 7 1 1 A 46 46 TYR H H 46 8.479 8.189 0.290 1 1 510 . 7 1 1 A 46 46 TYR HA H 46 5.048 5.520 -0.472 1 1 517 . 7 1 1 A 46 46 TYR C C 46 173.870 174.671 -0.801 1 1 518 . 7 1 1 A 46 46 TYR CA C 46 55.485 55.181 0.304 1 1 519 . 7 1 1 A 46 46 TYR CB C 46 39.975 41.919 -1.944 1 1 524 . 7 1 1 A 46 46 TYR N N 46 114.778 118.318 -3.540 1 1 525 . 7 1 1 A 47 47 GLU H H 47 9.111 8.739 0.372 1 1 526 . 7 1 1 A 47 47 GLU HA H 47 3.819 3.932 -0.113 1 1 531 . 7 1 1 A 47 47 GLU C C 47 177.764 177.812 -0.048 1 1 532 . 7 1 1 A 47 47 GLU CA C 47 57.123 56.987 0.136 1 1 533 . 7 1 1 A 47 47 GLU CB C 47 29.773 29.595 0.178 1 1 535 . 7 1 1 A 47 47 GLU N N 47 122.069 121.156 0.913 1 1 536 . 7 1 1 A 48 48 LYS H H 48 8.246 8.493 -0.247 1 1 537 . 7 1 1 A 48 48 LYS HA H 48 3.722 3.905 -0.183 1 1 546 . 7 1 1 A 48 48 LYS C C 48 176.588 178.263 -1.675 1 1 547 . 7 1 1 A 48 48 LYS CA C 48 59.774 59.737 0.037 1 1 548 . 7 1 1 A 48 48 LYS CB C 48 33.032 32.153 0.879 1 1 552 . 7 1 1 A 48 48 LYS N N 48 122.857 125.503 -2.646 1 1 553 . 7 1 1 A 49 49 GLU H H 49 8.192 7.768 0.424 1 1 554 . 7 1 1 A 49 49 GLU HA H 49 4.216 4.300 -0.084 1 1 559 . 7 1 1 A 49 49 GLU C C 49 176.987 177.562 -0.575 1 1 560 . 7 1 1 A 49 49 GLU CA C 49 57.447 58.727 -1.280 1 1 561 . 7 1 1 A 49 49 GLU CB C 49 28.987 30.201 -1.214 1 1 563 . 7 1 1 A 49 49 GLU N N 49 114.305 117.232 -2.927 1 1 564 . 7 1 1 A 50 50 HIS H H 50 8.329 8.140 0.189 1 1 565 . 7 1 1 A 50 50 HIS HA H 50 4.928 4.728 0.200 1 1 570 . 7 1 1 A 50 50 HIS C C 50 173.255 175.082 -1.827 1 1 571 . 7 1 1 A 50 50 HIS CA C 50 54.372 56.531 -2.159 1 1 572 . 7 1 1 A 50 50 HIS CB C 50 31.082 31.002 0.080 1 1 575 . 7 1 1 A 50 50 HIS N N 50 120.021 118.267 1.754 1 1 576 . 7 1 1 A 51 51 ASN H H 51 7.687 8.810 -1.123 1 1 577 . 7 1 1 A 51 51 ASN HA H 51 4.259 4.412 -0.153 1 1 582 . 7 1 1 A 51 51 ASN C C 51 174.779 175.266 -0.487 1 1 583 . 7 1 1 A 51 51 ASN CA C 51 52.561 51.215 1.346 1 1 584 . 7 1 1 A 51 51 ASN CB C 51 39.474 41.266 -1.792 1 1 585 . 7 1 1 A 51 51 ASN N N 51 114.158 118.055 -3.897 1 1 587 . 7 1 1 A 52 52 GLU H H 52 8.551 8.398 0.153 1 1 588 . 7 1 1 A 52 52 GLU HA H 52 2.797 3.698 -0.901 1 1 593 . 7 1 1 A 52 52 GLU C C 52 177.117 178.853 -1.736 1 1 594 . 7 1 1 A 52 52 GLU CA C 52 58.155 59.105 -0.950 1 1 595 . 7 1 1 A 52 52 GLU CB C 52 28.912 28.773 0.139 1 1 597 . 7 1 1 A 52 52 GLU N N 52 117.019 120.343 -3.324 1 1 598 . 7 1 1 A 53 53 PHE H H 53 7.855 7.643 0.212 1 1 599 . 7 1 1 A 53 53 PHE HA H 53 4.371 4.297 0.074 1 1 607 . 7 1 1 A 53 53 PHE C C 53 175.783 176.640 -0.857 1 1 608 . 7 1 1 A 53 53 PHE CA C 53 58.785 60.508 -1.723 1 1 609 . 7 1 1 A 53 53 PHE CB C 53 37.747 38.791 -1.044 1 1 615 . 7 1 1 A 53 53 PHE N N 53 119.462 119.052 0.410 1 1 616 . 7 1 1 A 54 54 ASN H H 54 7.744 8.013 -0.269 1 1 617 . 7 1 1 A 54 54 ASN HA H 54 4.948 4.965 -0.017 1 1 622 . 7 1 1 A 54 54 ASN C C 54 173.922 173.879 0.043 1 1 623 . 7 1 1 A 54 54 ASN CA C 54 52.102 52.546 -0.444 1 1 624 . 7 1 1 A 54 54 ASN CB C 54 38.637 36.659 1.978 1 1 625 . 7 1 1 A 54 54 ASN N N 54 120.451 115.391 5.060 1 1 627 . 7 1 1 A 55 55 SER H H 55 7.469 8.184 -0.715 1 1 628 . 7 1 1 A 55 55 SER HA H 55 4.710 5.096 -0.386 1 1 631 . 7 1 1 A 55 55 SER C C 55 173.922 172.430 1.492 1 1 632 . 7 1 1 A 55 55 SER CA C 55 57.883 55.912 1.971 1 1 633 . 7 1 1 A 55 55 SER CB C 55 66.064 66.157 -0.093 1 1 634 . 7 1 1 A 55 55 SER N N 55 113.429 118.919 -5.490 1 1 635 . 7 1 1 A 56 56 SER H H 56 8.458 8.205 0.253 1 1 636 . 7 1 1 A 56 56 SER HA H 56 4.632 5.022 -0.390 1 1 639 . 7 1 1 A 56 56 SER C C 56 171.119 172.948 -1.829 1 1 640 . 7 1 1 A 56 56 SER CA C 56 57.866 57.371 0.495 1 1 641 . 7 1 1 A 56 56 SER CB C 56 65.164 65.252 -0.088 1 1 642 . 7 1 1 A 56 56 SER N N 56 116.653 118.770 -2.117 1 1 643 . 7 1 1 A 57 57 MET H H 57 8.355 8.998 -0.643 1 1 644 . 7 1 1 A 57 57 MET HA H 57 5.776 5.605 0.171 1 1 652 . 7 1 1 A 57 57 MET C C 57 175.771 175.611 0.160 1 1 653 . 7 1 1 A 57 57 MET CA C 57 53.913 53.469 0.444 1 1 654 . 7 1 1 A 57 57 MET CB C 57 36.115 34.068 2.047 1 1 657 . 7 1 1 A 57 57 MET N N 57 119.463 124.778 -5.315 1 1 658 . 7 1 1 A 58 58 ALA H H 58 9.547 9.289 0.258 1 1 659 . 7 1 1 A 58 58 ALA HA H 58 4.890 5.315 -0.425 1 1 663 . 7 1 1 A 58 58 ALA C C 58 175.328 175.829 -0.501 1 1 664 . 7 1 1 A 58 58 ALA CA C 58 50.829 50.780 0.049 1 1 665 . 7 1 1 A 58 58 ALA CB C 58 22.649 22.673 -0.024 1 1 666 . 7 1 1 A 58 58 ALA N N 58 127.410 123.992 3.418 1 1 667 . 7 1 1 A 59 59 ARG H H 59 8.776 8.772 0.004 1 1 668 . 7 1 1 A 59 59 ARG HA H 59 5.567 4.907 0.660 1 1 675 . 7 1 1 A 59 59 ARG C C 59 176.336 175.201 1.135 1 1 676 . 7 1 1 A 59 59 ARG CA C 59 54.843 55.907 -1.064 1 1 677 . 7 1 1 A 59 59 ARG CB C 59 33.691 31.728 1.963 1 1 680 . 7 1 1 A 59 59 ARG N N 59 119.945 123.548 -3.603 1 1 681 . 7 1 1 A 60 60 SER H H 60 8.919 8.273 0.646 1 1 682 . 7 1 1 A 60 60 SER HA H 60 5.011 5.216 -0.205 1 1 685 . 7 1 1 A 60 60 SER C C 60 174.614 174.403 0.211 1 1 686 . 7 1 1 A 60 60 SER CA C 60 56.752 56.741 0.011 1 1 687 . 7 1 1 A 60 60 SER CB C 60 66.198 65.549 0.649 1 1 688 . 7 1 1 A 60 60 SER N N 60 115.274 116.097 -0.823 1 1 689 . 7 1 1 A 61 61 GLN H H 61 9.367 8.558 0.809 1 1 690 . 7 1 1 A 61 61 GLN HA H 61 4.556 4.423 0.133 1 1 697 . 7 1 1 A 61 61 GLN C C 61 175.391 175.435 -0.044 1 1 698 . 7 1 1 A 61 61 GLN CA C 61 57.664 57.224 0.440 1 1 699 . 7 1 1 A 61 61 GLN CB C 61 29.763 29.290 0.473 1 1 701 . 7 1 1 A 61 61 GLN N N 61 124.808 124.367 0.441 1 1 703 . 7 1 1 A 62 62 THR H H 62 8.075 7.618 0.457 1 1 704 . 7 1 1 A 62 62 THR HA H 62 4.918 4.821 0.097 1 1 709 . 7 1 1 A 62 62 THR C C 62 173.106 173.210 -0.104 1 1 710 . 7 1 1 A 62 62 THR CA C 62 59.369 59.544 -0.175 1 1 711 . 7 1 1 A 62 62 THR CB C 62 70.607 71.365 -0.758 1 1 713 . 7 1 1 A 62 62 THR N N 62 110.260 113.262 -3.002 1 1 714 . 7 1 1 A 63 63 ASN H H 63 8.575 8.459 0.116 1 1 715 . 7 1 1 A 63 63 ASN HA H 63 3.457 4.023 -0.566 1 1 720 . 7 1 1 A 63 63 ASN C C 63 172.343 173.651 -1.308 1 1 721 . 7 1 1 A 63 63 ASN CA C 63 53.270 52.681 0.589 1 1 722 . 7 1 1 A 63 63 ASN CB C 63 34.441 38.449 -4.008 1 1 723 . 7 1 1 A 63 63 ASN N N 63 119.090 121.091 -2.001 1 1 725 . 7 1 1 A 64 64 THR H H 64 6.850 7.221 -0.371 1 1 726 . 7 1 1 A 64 64 THR HA H 64 4.296 4.047 0.249 1 1 731 . 7 1 1 A 64 64 THR C C 64 172.238 171.722 0.516 1 1 732 . 7 1 1 A 64 64 THR CA C 64 60.501 60.615 -0.114 1 1 733 . 7 1 1 A 64 64 THR CB C 64 71.252 71.370 -0.118 1 1 735 . 7 1 1 A 64 64 THR N N 64 111.612 113.812 -2.200 1 1 736 . 7 1 1 A 65 65 ALA H H 65 8.619 8.805 -0.186 1 1 737 . 7 1 1 A 65 65 ALA HA H 65 4.595 5.093 -0.498 1 1 741 . 7 1 1 A 65 65 ALA C C 65 174.046 174.747 -0.701 1 1 742 . 7 1 1 A 65 65 ALA CA C 65 52.102 51.027 1.075 1 1 743 . 7 1 1 A 65 65 ALA CB C 65 22.427 23.407 -0.980 1 1 744 . 7 1 1 A 65 65 ALA N N 65 124.370 130.334 -5.964 1 1 745 . 7 1 1 A 66 66 ARG H H 66 8.533 8.805 -0.272 1 1 746 . 7 1 1 A 66 66 ARG HA H 66 4.973 5.206 -0.233 1 1 753 . 7 1 1 A 66 66 ARG C C 66 175.240 174.614 0.626 1 1 754 . 7 1 1 A 66 66 ARG CA C 66 54.560 54.385 0.175 1 1 755 . 7 1 1 A 66 66 ARG CB C 66 32.088 33.551 -1.463 1 1 758 . 7 1 1 A 66 66 ARG N N 66 122.633 121.670 0.963 1 1 759 . 7 1 1 A 67 67 ILE H H 67 8.967 8.704 0.263 1 1 760 . 7 1 1 A 67 67 ILE HA H 67 4.013 4.460 -0.447 1 1 770 . 7 1 1 A 67 67 ILE C C 67 174.026 175.150 -1.124 1 1 771 . 7 1 1 A 67 67 ILE CA C 67 60.377 59.770 0.607 1 1 772 . 7 1 1 A 67 67 ILE CB C 67 38.044 38.223 -0.179 1 1 776 . 7 1 1 A 67 67 ILE N N 67 128.560 127.910 0.650 1 1 777 . 7 1 1 A 68 68 ASP H H 68 8.117 8.526 -0.409 1 1 778 . 7 1 1 A 68 68 ASP HA H 68 5.060 5.239 -0.179 1 1 781 . 7 1 1 A 68 68 ASP C C 68 175.792 176.221 -0.429 1 1 782 . 7 1 1 A 68 68 ASP CA C 68 52.474 52.208 0.266 1 1 783 . 7 1 1 A 68 68 ASP CB C 68 44.116 43.981 0.135 1 1 784 . 7 1 1 A 68 68 ASP N N 68 125.243 125.297 -0.054 1 1 785 . 7 1 1 A 69 69 GLY H H 69 8.568 8.324 0.244 1 1 786 . 7 1 1 A 69 69 GLY HA2 H 69 3.951 3.935 0.016 1 1 787 . 7 1 1 A 69 69 GLY HA3 H 69 3.830 3.947 -0.117 1 1 788 . 7 1 1 A 69 69 GLY C C 69 175.359 173.966 1.393 1 1 789 . 7 1 1 A 69 69 GLY CA C 69 46.356 45.874 0.482 1 1 790 . 7 1 1 A 69 69 GLY N N 69 105.736 111.131 -5.395 1 1 791 . 7 1 1 A 70 70 LEU H H 70 7.982 7.464 0.518 1 1 792 . 7 1 1 A 70 70 LEU HA H 70 4.356 4.776 -0.420 1 1 802 . 7 1 1 A 70 70 LEU C C 70 175.151 175.574 -0.423 1 1 803 . 7 1 1 A 70 70 LEU CA C 70 53.110 53.014 0.096 1 1 804 . 7 1 1 A 70 70 LEU CB C 70 40.992 44.791 -3.799 1 1 808 . 7 1 1 A 70 70 LEU N N 70 118.817 120.136 -1.319 1 1 809 . 7 1 1 A 71 71 ARG H H 71 8.148 8.157 -0.009 1 1 810 . 7 1 1 A 71 71 ARG HA H 71 4.922 4.795 0.127 1 1 817 . 7 1 1 A 71 71 ARG C C 71 174.419 173.902 0.517 1 1 818 . 7 1 1 A 71 71 ARG CA C 71 53.534 53.087 0.447 1 1 819 . 7 1 1 A 71 71 ARG CB C 71 32.001 31.094 0.907 1 1 822 . 7 1 1 A 71 71 ARG N N 71 118.182 121.059 -2.877 1 1 823 . 7 1 1 A 72 72 PRO HA H 72 5.168 4.340 0.828 1 1 830 . 7 1 1 A 72 72 PRO C C 72 178.121 177.659 0.462 1 1 831 . 7 1 1 A 72 72 PRO CA C 72 63.416 63.761 -0.345 1 1 832 . 7 1 1 A 72 72 PRO CB C 72 32.908 31.305 1.603 1 1 835 . 7 1 1 A 73 73 GLY H H 73 7.705 8.758 -1.053 1 1 836 . 7 1 1 A 73 73 GLY HA2 H 73 3.856 3.988 -0.132 1 1 837 . 7 1 1 A 73 73 GLY HA3 H 73 3.508 3.994 -0.486 1 1 838 . 7 1 1 A 73 73 GLY C C 73 173.685 173.902 -0.217 1 1 839 . 7 1 1 A 73 73 GLY CA C 73 46.731 46.546 0.185 1 1 840 . 7 1 1 A 73 73 GLY N N 73 112.669 112.219 0.450 1 1 841 . 7 1 1 A 74 74 MET H H 74 7.511 7.569 -0.058 1 1 842 . 7 1 1 A 74 74 MET HA H 74 4.742 5.027 -0.285 1 1 850 . 7 1 1 A 74 74 MET C C 74 173.525 174.468 -0.943 1 1 851 . 7 1 1 A 74 74 MET CA C 74 53.216 54.360 -1.144 1 1 852 . 7 1 1 A 74 74 MET CB C 74 33.610 37.094 -3.484 1 1 855 . 7 1 1 A 74 74 MET N N 74 119.820 118.465 1.355 1 1 856 . 7 1 1 A 75 75 VAL H H 75 7.651 8.576 -0.925 1 1 857 . 7 1 1 A 75 75 VAL HA H 75 4.361 4.807 -0.446 1 1 865 . 7 1 1 A 75 75 VAL C C 75 174.677 174.945 -0.268 1 1 866 . 7 1 1 A 75 75 VAL CA C 75 61.581 61.605 -0.024 1 1 867 . 7 1 1 A 75 75 VAL CB C 75 32.345 32.865 -0.520 1 1 870 . 7 1 1 A 75 75 VAL N N 75 121.287 122.070 -0.783 1 1 871 . 7 1 1 A 76 76 TYR H H 76 9.405 8.766 0.639 1 1 872 . 7 1 1 A 76 76 TYR HA H 76 4.743 4.972 -0.229 1 1 879 . 7 1 1 A 76 76 TYR C C 76 174.740 174.934 -0.194 1 1 880 . 7 1 1 A 76 76 TYR CA C 76 57.424 56.598 0.826 1 1 881 . 7 1 1 A 76 76 TYR CB C 76 41.151 41.742 -0.591 1 1 886 . 7 1 1 A 76 76 TYR N N 76 126.231 125.768 0.463 1 1 887 . 7 1 1 A 77 77 VAL H H 77 8.867 8.361 0.506 1 1 888 . 7 1 1 A 77 77 VAL HA H 77 4.318 4.367 -0.049 1 1 896 . 7 1 1 A 77 77 VAL C C 77 175.773 175.286 0.487 1 1 897 . 7 1 1 A 77 77 VAL CA C 77 61.473 62.502 -1.029 1 1 898 . 7 1 1 A 77 77 VAL CB C 77 31.218 30.767 0.451 1 1 901 . 7 1 1 A 77 77 VAL N N 77 123.699 124.181 -0.482 1 1 902 . 7 1 1 A 78 78 VAL H H 78 8.683 8.923 -0.240 1 1 903 . 7 1 1 A 78 78 VAL HA H 78 4.995 4.816 0.179 1 1 911 . 7 1 1 A 78 78 VAL C C 78 175.275 175.496 -0.221 1 1 912 . 7 1 1 A 78 78 VAL CA C 78 60.942 61.384 -0.442 1 1 913 . 7 1 1 A 78 78 VAL CB C 78 34.790 32.959 1.831 1 1 916 . 7 1 1 A 78 78 VAL N N 78 124.155 128.701 -4.546 1 1 917 . 7 1 1 A 79 79 GLN H H 79 8.613 8.907 -0.294 1 1 918 . 7 1 1 A 79 79 GLN HA H 79 4.511 5.094 -0.583 1 1 925 . 7 1 1 A 79 79 GLN C C 79 173.361 174.248 -0.887 1 1 926 . 7 1 1 A 79 79 GLN CA C 79 54.666 54.032 0.634 1 1 927 . 7 1 1 A 79 79 GLN CB C 79 36.751 32.557 4.194 1 1 929 . 7 1 1 A 79 79 GLN N N 79 121.693 125.344 -3.651 1 1 931 . 7 1 1 A 80 80 VAL H H 80 9.019 8.470 0.549 1 1 932 . 7 1 1 A 80 80 VAL HA H 80 5.801 5.035 0.766 1 1 940 . 7 1 1 A 80 80 VAL C C 80 174.526 174.574 -0.048 1 1 941 . 7 1 1 A 80 80 VAL CA C 80 58.750 59.408 -0.658 1 1 942 . 7 1 1 A 80 80 VAL CB C 80 35.479 34.697 0.782 1 1 945 . 7 1 1 A 80 80 VAL N N 80 118.559 121.285 -2.726 1 1 946 . 7 1 1 A 81 81 ARG H H 81 9.199 8.683 0.516 1 1 947 . 7 1 1 A 81 81 ARG HA H 81 4.951 4.986 -0.035 1 1 955 . 7 1 1 A 81 81 ARG C C 81 172.660 174.218 -1.558 1 1 956 . 7 1 1 A 81 81 ARG CA C 81 54.295 53.784 0.511 1 1 957 . 7 1 1 A 81 81 ARG CB C 81 33.750 33.507 0.243 1 1 960 . 7 1 1 A 81 81 ARG N N 81 125.225 125.893 -0.668 1 1 962 . 7 1 1 A 82 82 ALA H H 82 8.762 8.753 0.009 1 1 963 . 7 1 1 A 82 82 ALA HA H 82 4.820 5.339 -0.519 1 1 967 . 7 1 1 A 82 82 ALA C C 82 174.783 175.463 -0.680 1 1 968 . 7 1 1 A 82 82 ALA CA C 82 50.741 50.104 0.637 1 1 969 . 7 1 1 A 82 82 ALA CB C 82 22.383 21.306 1.077 1 1 970 . 7 1 1 A 82 82 ALA N N 82 124.292 122.804 1.488 1 1 971 . 7 1 1 A 83 83 ARG H H 83 8.336 8.276 0.060 1 1 972 . 7 1 1 A 83 83 ARG HA H 83 4.737 4.847 -0.110 1 1 980 . 7 1 1 A 83 83 ARG C C 83 175.290 174.576 0.714 1 1 981 . 7 1 1 A 83 83 ARG CA C 83 55.727 54.093 1.634 1 1 982 . 7 1 1 A 83 83 ARG CB C 83 34.562 33.236 1.326 1 1 985 . 7 1 1 A 83 83 ARG N N 83 121.023 123.165 -2.142 1 1 987 . 7 1 1 A 84 84 THR H H 84 8.485 8.898 -0.413 1 1 988 . 7 1 1 A 84 84 THR HA H 84 4.875 4.867 0.008 1 1 993 . 7 1 1 A 84 84 THR C C 84 176.218 175.220 0.998 1 1 994 . 7 1 1 A 84 84 THR CA C 84 59.475 59.149 0.326 1 1 995 . 7 1 1 A 84 84 THR CB C 84 72.440 72.212 0.228 1 1 997 . 7 1 1 A 84 84 THR N N 84 116.374 116.287 0.087 1 1 998 . 7 1 1 A 85 85 VAL H H 85 9.283 8.711 0.572 1 1 999 . 7 1 1 A 85 85 VAL HA H 85 3.794 3.875 -0.081 1 1 1007 . 7 1 1 A 85 85 VAL C C 85 175.930 177.182 -1.252 1 1 1008 . 7 1 1 A 85 85 VAL CA C 85 64.934 64.587 0.347 1 1 1009 . 7 1 1 A 85 85 VAL CB C 85 31.621 31.672 -0.051 1 1 1012 . 7 1 1 A 85 85 VAL N N 85 119.099 122.391 -3.292 1 1 1013 . 7 1 1 A 86 86 ALA H H 86 7.840 7.798 0.042 1 1 1014 . 7 1 1 A 86 86 ALA HA H 86 4.242 4.192 0.050 1 1 1018 . 7 1 1 A 86 86 ALA C C 86 177.467 177.341 0.126 1 1 1019 . 7 1 1 A 86 86 ALA CA C 86 52.774 53.296 -0.522 1 1 1020 . 7 1 1 A 86 86 ALA CB C 86 19.733 19.806 -0.073 1 1 1021 . 7 1 1 A 86 86 ALA N N 86 121.263 122.113 -0.850 1 1 1022 . 7 1 1 A 87 87 GLY H H 87 7.365 7.085 0.280 1 1 1023 . 7 1 1 A 87 87 GLY HA2 H 87 4.402 4.070 0.332 1 1 1024 . 7 1 1 A 87 87 GLY HA3 H 87 3.588 4.087 -0.499 1 1 1025 . 7 1 1 A 87 87 GLY C C 87 171.960 170.908 1.052 1 1 1026 . 7 1 1 A 87 87 GLY CA C 87 44.170 46.117 -1.947 1 1 1027 . 7 1 1 A 87 87 GLY N N 87 105.736 102.113 3.623 1 1 1028 . 7 1 1 A 88 88 TYR H H 88 8.444 8.598 -0.154 1 1 1029 . 7 1 1 A 88 88 TYR HA H 88 5.063 5.131 -0.068 1 1 1036 . 7 1 1 A 88 88 TYR C C 88 179.239 175.258 3.981 1 1 1037 . 7 1 1 A 88 88 TYR CA C 88 58.308 55.705 2.603 1 1 1038 . 7 1 1 A 88 88 TYR CB C 88 41.442 41.121 0.321 1 1 1043 . 7 1 1 A 88 88 TYR N N 88 116.996 120.099 -3.103 1 1 1044 . 7 1 1 A 89 89 GLY H H 89 8.676 8.351 0.325 1 1 1045 . 7 1 1 A 89 89 GLY HA2 H 89 4.324 4.216 0.108 1 1 1046 . 7 1 1 A 89 89 GLY HA3 H 89 3.973 4.237 -0.264 1 1 1047 . 7 1 1 A 89 89 GLY C C 89 173.844 172.849 0.995 1 1 1048 . 7 1 1 A 89 89 GLY CA C 89 43.916 44.144 -0.228 1 1 1049 . 7 1 1 A 89 89 GLY N N 89 107.850 110.394 -2.544 1 1 1050 . 7 1 1 A 90 90 LYS H H 90 8.711 8.311 0.400 1 1 1051 . 7 1 1 A 90 90 LYS HA H 90 4.166 4.242 -0.076 1 1 1060 . 7 1 1 A 90 90 LYS C C 90 177.819 176.427 1.392 1 1 1061 . 7 1 1 A 90 90 LYS CA C 90 56.162 56.272 -0.110 1 1 1062 . 7 1 1 A 90 90 LYS CB C 90 32.730 33.283 -0.553 1 1 1066 . 7 1 1 A 90 90 LYS N N 90 119.382 119.866 -0.484 1 1 1067 . 7 1 1 A 91 91 PHE H H 91 8.698 8.882 -0.184 1 1 1068 . 7 1 1 A 91 91 PHE HA H 91 4.241 5.039 -0.798 1 1 1076 . 7 1 1 A 91 91 PHE C C 91 176.805 176.007 0.798 1 1 1077 . 7 1 1 A 91 91 PHE CA C 91 61.027 57.627 3.400 1 1 1078 . 7 1 1 A 91 91 PHE CB C 91 39.995 40.436 -0.441 1 1 1084 . 7 1 1 A 91 91 PHE N N 91 120.691 120.434 0.257 1 1 1085 . 7 1 1 A 92 92 SER H H 92 8.311 9.055 -0.744 1 1 1086 . 7 1 1 A 92 92 SER HA H 92 4.259 4.522 -0.263 1 1 1089 . 7 1 1 A 92 92 SER C C 92 173.499 174.885 -1.386 1 1 1090 . 7 1 1 A 92 92 SER CA C 92 58.146 57.958 0.188 1 1 1091 . 7 1 1 A 92 92 SER CB C 92 65.329 64.562 0.767 1 1 1092 . 7 1 1 A 92 92 SER N N 92 115.098 118.752 -3.654 1 1 1093 . 7 1 1 A 93 93 GLY H H 93 8.869 8.489 0.380 1 1 1094 . 7 1 1 A 93 93 GLY HA2 H 93 4.071 4.027 0.044 1 1 1095 . 7 1 1 A 93 93 GLY HA3 H 93 3.780 4.039 -0.259 1 1 1096 . 7 1 1 A 93 93 GLY C C 93 174.375 172.963 1.412 1 1 1097 . 7 1 1 A 93 93 GLY CA C 93 45.331 45.326 0.005 1 1 1098 . 7 1 1 A 93 93 GLY N N 93 106.252 107.882 -1.630 1 1 1099 . 7 1 1 A 94 94 LYS H H 94 8.619 8.429 0.190 1 1 1100 . 7 1 1 A 94 94 LYS HA H 94 3.633 4.620 -0.987 1 1 1109 . 7 1 1 A 94 94 LYS C C 94 176.004 174.898 1.106 1 1 1110 . 7 1 1 A 94 94 LYS CA C 94 59.068 55.426 3.642 1 1 1111 . 7 1 1 A 94 94 LYS CB C 94 33.072 33.470 -0.398 1 1 1115 . 7 1 1 A 94 94 LYS N N 94 122.645 122.502 0.143 1 1 1116 . 7 1 1 A 95 95 MET H H 95 7.547 8.988 -1.441 1 1 1117 . 7 1 1 A 95 95 MET HA H 95 4.520 5.005 -0.485 1 1 1125 . 7 1 1 A 95 95 MET C C 95 173.400 174.035 -0.635 1 1 1126 . 7 1 1 A 95 95 MET CA C 95 54.701 53.795 0.906 1 1 1127 . 7 1 1 A 95 95 MET CB C 95 37.784 35.401 2.383 1 1 1130 . 7 1 1 A 95 95 MET N N 95 122.392 126.995 -4.603 1 1 1131 . 7 1 1 A 96 96 CYS H H 96 7.888 8.711 -0.823 1 1 1132 . 7 1 1 A 96 96 CYS HA H 96 5.465 5.119 0.346 1 1 1135 . 7 1 1 A 96 96 CYS C C 96 173.757 172.744 1.013 1 1 1136 . 7 1 1 A 96 96 CYS CA C 96 57.353 57.255 0.098 1 1 1137 . 7 1 1 A 96 96 CYS CB C 96 29.941 29.047 0.894 1 1 1138 . 7 1 1 A 96 96 CYS N N 96 117.124 122.447 -5.323 1 1 1139 . 7 1 1 A 97 97 PHE H H 97 9.133 8.768 0.365 1 1 1140 . 7 1 1 A 97 97 PHE HA H 97 4.879 5.179 -0.300 1 1 1148 . 7 1 1 A 97 97 PHE C C 97 173.309 174.592 -1.283 1 1 1149 . 7 1 1 A 97 97 PHE CA C 97 56.983 56.458 0.525 1 1 1150 . 7 1 1 A 97 97 PHE CB C 97 44.074 40.883 3.191 1 1 1156 . 7 1 1 A 97 97 PHE N N 97 121.239 124.748 -3.509 1 1 1157 . 7 1 1 A 98 98 GLN H H 98 8.884 9.012 -0.128 1 1 1158 . 7 1 1 A 98 98 GLN HA H 98 5.809 5.307 0.502 1 1 1165 . 7 1 1 A 98 98 GLN C C 98 176.454 176.005 0.449 1 1 1166 . 7 1 1 A 98 98 GLN CA C 98 54.125 54.138 -0.013 1 1 1167 . 7 1 1 A 98 98 GLN CB C 98 33.444 30.907 2.537 1 1 1169 . 7 1 1 A 98 98 GLN N N 98 120.699 124.577 -3.878 1 1 1171 . 7 1 1 A 99 99 THR H H 99 8.176 8.510 -0.334 1 1 1172 . 7 1 1 A 99 99 THR HA H 99 4.324 4.516 -0.192 1 1 1177 . 7 1 1 A 99 99 THR C C 99 175.929 174.129 1.800 1 1 1178 . 7 1 1 A 99 99 THR CA C 99 60.341 61.622 -1.281 1 1 1179 . 7 1 1 A 99 99 THR CB C 99 70.070 71.347 -1.277 1 1 1181 . 7 1 1 A 99 99 THR N N 99 112.214 116.968 -4.754 1 1 1182 . 7 1 1 A 100 100 LEU H H 100 7.368 8.193 -0.825 1 1 1183 . 7 1 1 A 100 100 LEU HA H 100 4.310 4.526 -0.216 1 1 1193 . 7 1 1 A 100 100 LEU C C 100 177.359 176.340 1.019 1 1 1194 . 7 1 1 A 100 100 LEU CA C 100 54.790 54.871 -0.081 1 1 1195 . 7 1 1 A 100 100 LEU CB C 100 42.096 42.076 0.020 1 1 1199 . 7 1 1 A 100 100 LEU N N 100 117.018 122.821 -5.803 1 1 1200 . 7 1 1 A 101 101 THR H H 101 7.997 8.575 -0.578 1 1 1201 . 7 1 1 A 101 101 THR HA H 101 4.123 4.865 -0.742 1 1 1206 . 7 1 1 A 101 101 THR C C 101 174.014 173.115 0.899 1 1 1207 . 7 1 1 A 101 101 THR CA C 101 61.968 60.930 1.038 1 1 1208 . 7 1 1 A 101 101 THR CB C 101 70.172 69.362 0.810 1 1 1210 . 7 1 1 A 101 101 THR N N 101 110.428 117.628 -7.200 1 1 1211 . 7 1 1 A 102 102 ASP H H 102 8.320 9.021 -0.701 1 1 1212 . 7 1 1 A 102 102 ASP HA H 102 4.853 4.829 0.024 1 1 1215 . 7 1 1 A 102 102 ASP C C 102 176.204 175.512 0.692 1 1 1216 . 7 1 1 A 102 102 ASP CA C 102 53.694 54.328 -0.634 1 1 1217 . 7 1 1 A 102 102 ASP CB C 102 41.808 41.739 0.069 1 1 1218 . 7 1 1 A 102 102 ASP N N 102 120.693 128.025 -7.332 1 1 1219 . 7 1 1 A 103 103 SER H H 103 8.294 9.053 -0.759 1 1 1220 . 7 1 1 A 103 103 SER HA H 103 4.486 4.925 -0.439 1 1 1223 . 7 1 1 A 103 103 SER C C 103 174.875 173.305 1.570 1 1 1224 . 7 1 1 A 103 103 SER CA C 103 58.361 57.548 0.813 1 1 1225 . 7 1 1 A 103 103 SER CB C 103 63.942 67.559 -3.617 1 1 1226 . 7 1 1 A 103 103 SER N N 103 117.442 122.033 -4.591 1 1 1227 . 7 1 1 A 104 104 GLY H H 104 8.393 8.401 -0.008 1 1 1228 . 7 1 1 A 104 104 GLY HA2 H 104 4.104 4.193 -0.089 1 1 1229 . 7 1 1 A 104 104 GLY HA3 H 104 4.104 4.193 -0.089 1 1 1230 . 7 1 1 A 104 104 GLY C C 104 172.016 172.664 -0.648 1 1 1231 . 7 1 1 A 104 104 GLY CA C 104 44.800 44.125 0.675 1 1 1232 . 7 1 1 A 104 104 GLY N N 104 111.065 108.450 2.615 1 1 1233 . 7 1 1 A 105 105 PRO HA H 105 4.475 4.746 -0.271 1 1 1240 . 7 1 1 A 105 105 PRO C C 105 177.464 175.793 1.671 1 1 1241 . 7 1 1 A 105 105 PRO CA C 105 63.329 62.772 0.557 1 1 1242 . 7 1 1 A 105 105 PRO CB C 105 32.249 32.297 -0.048 1 1 1245 . 7 1 1 A 106 106 SER H H 106 8.514 8.374 0.140 1 1 1246 . 7 1 1 A 106 106 SER HA H 106 4.512 4.815 -0.303 1 1 1249 . 7 1 1 A 106 106 SER C C 106 174.735 172.630 2.105 1 1 1250 . 7 1 1 A 106 106 SER CA C 106 58.361 57.777 0.584 1 1 1251 . 7 1 1 A 106 106 SER CB C 106 63.820 67.366 -3.546 1 1 1252 . 7 1 1 A 106 106 SER N N 106 116.429 117.715 -1.286 1 1 1253 . 7 1 1 A 107 107 SER H H 107 8.329 8.487 -0.158 1 1 1254 . 7 1 1 A 107 107 SER HA H 107 4.512 4.339 0.173 1 1 1257 . 7 1 1 A 107 107 SER C C 107 174.004 174.150 -0.146 1 1 1258 . 7 1 1 A 107 107 SER CA C 107 58.414 59.368 -0.954 1 1 1259 . 7 1 1 A 107 107 SER CB C 107 64.014 63.475 0.539 1 1 1260 . 7 1 1 A 107 107 SER N N 107 117.919 119.091 -1.172 1 1 1 . 8 1 1 A 6 6 SER HA H 6 4.523 5.193 -0.670 1 1 3 . 8 1 1 A 6 6 SER CA C 6 58.535 57.498 1.037 1 1 4 . 8 1 1 A 6 6 SER CB C 6 64.106 66.070 -1.964 1 1 5 . 8 1 1 A 7 7 GLY H H 7 8.202 8.343 -0.141 1 1 6 . 8 1 1 A 7 7 GLY HA2 H 7 3.881 4.118 -0.237 1 1 7 . 8 1 1 A 7 7 GLY HA3 H 7 3.740 4.123 -0.383 1 1 8 . 8 1 1 A 7 7 GLY CA C 7 44.322 44.291 0.031 1 1 9 . 8 1 1 A 7 7 GLY N N 7 109.573 112.747 -3.174 1 1 10 . 8 1 1 A 8 8 PRO HA H 8 4.641 4.543 0.098 1 1 17 . 8 1 1 A 8 8 PRO C C 8 176.480 176.752 -0.272 1 1 18 . 8 1 1 A 8 8 PRO CA C 8 62.582 62.657 -0.075 1 1 19 . 8 1 1 A 8 8 PRO CB C 8 32.331 31.961 0.370 1 1 22 . 8 1 1 A 9 9 SER H H 9 8.061 8.723 -0.662 1 1 23 . 8 1 1 A 9 9 SER HA H 9 4.374 4.476 -0.102 1 1 26 . 8 1 1 A 9 9 SER C C 9 173.090 173.564 -0.474 1 1 27 . 8 1 1 A 9 9 SER CA C 9 58.754 58.707 0.047 1 1 28 . 8 1 1 A 9 9 SER CB C 9 63.667 64.092 -0.425 1 1 29 . 8 1 1 A 9 9 SER N N 9 115.137 117.472 -2.335 1 1 30 . 8 1 1 A 10 10 THR H H 10 8.359 8.453 -0.094 1 1 31 . 8 1 1 A 10 10 THR HA H 10 4.027 4.857 -0.830 1 1 36 . 8 1 1 A 10 10 THR C C 10 175.380 173.107 2.273 1 1 37 . 8 1 1 A 10 10 THR CA C 10 62.781 59.756 3.025 1 1 38 . 8 1 1 A 10 10 THR CB C 10 69.617 71.831 -2.214 1 1 40 . 8 1 1 A 10 10 THR N N 10 115.079 117.877 -2.798 1 1 41 . 8 1 1 A 11 11 VAL H H 11 9.280 8.769 0.511 1 1 42 . 8 1 1 A 11 11 VAL HA H 11 4.097 4.207 -0.110 1 1 50 . 8 1 1 A 11 11 VAL C C 11 175.706 176.351 -0.645 1 1 51 . 8 1 1 A 11 11 VAL CA C 11 61.518 60.817 0.701 1 1 52 . 8 1 1 A 11 11 VAL CB C 11 33.174 32.054 1.120 1 1 55 . 8 1 1 A 11 11 VAL N N 11 131.182 125.500 5.682 1 1 56 . 8 1 1 A 12 12 PRO HA H 12 4.415 4.478 -0.063 1 1 63 . 8 1 1 A 12 12 PRO C C 12 175.612 176.342 -0.730 1 1 64 . 8 1 1 A 12 12 PRO CA C 12 64.850 64.487 0.363 1 1 65 . 8 1 1 A 12 12 PRO CB C 12 32.578 32.297 0.281 1 1 68 . 8 1 1 A 13 13 ILE H H 13 7.251 7.438 -0.187 1 1 69 . 8 1 1 A 13 13 ILE HA H 13 4.439 4.497 -0.058 1 1 79 . 8 1 1 A 13 13 ILE C C 13 170.969 173.043 -2.074 1 1 80 . 8 1 1 A 13 13 ILE CA C 13 59.973 59.471 0.502 1 1 81 . 8 1 1 A 13 13 ILE CB C 13 40.776 41.114 -0.338 1 1 85 . 8 1 1 A 13 13 ILE N N 13 115.827 115.959 -0.132 1 1 86 . 8 1 1 A 14 14 MET H H 14 6.827 8.689 -1.862 1 1 87 . 8 1 1 A 14 14 MET HA H 14 4.961 5.360 -0.399 1 1 95 . 8 1 1 A 14 14 MET C C 14 173.380 174.873 -1.493 1 1 96 . 8 1 1 A 14 14 MET CA C 14 55.214 53.940 1.274 1 1 97 . 8 1 1 A 14 14 MET CB C 14 38.223 35.483 2.740 1 1 100 . 8 1 1 A 14 14 MET N N 14 116.754 125.917 -9.163 1 1 101 . 8 1 1 A 15 15 HIS H H 15 9.417 9.359 0.058 1 1 102 . 8 1 1 A 15 15 HIS HA H 15 4.958 5.202 -0.244 1 1 107 . 8 1 1 A 15 15 HIS C C 15 173.901 173.914 -0.013 1 1 108 . 8 1 1 A 15 15 HIS CA C 15 55.190 54.530 0.660 1 1 109 . 8 1 1 A 15 15 HIS CB C 15 33.361 33.408 -0.047 1 1 112 . 8 1 1 A 15 15 HIS N N 15 118.539 118.219 0.320 1 1 113 . 8 1 1 A 16 16 GLN H H 16 9.164 8.949 0.215 1 1 114 . 8 1 1 A 16 16 GLN HA H 16 4.385 4.319 0.066 1 1 121 . 8 1 1 A 16 16 GLN C C 16 175.463 174.630 0.833 1 1 122 . 8 1 1 A 16 16 GLN CA C 16 55.992 54.970 1.022 1 1 123 . 8 1 1 A 16 16 GLN CB C 16 29.159 30.030 -0.871 1 1 125 . 8 1 1 A 16 16 GLN N N 16 123.267 123.285 -0.018 1 1 127 . 8 1 1 A 17 17 VAL H H 17 8.983 8.323 0.660 1 1 128 . 8 1 1 A 17 17 VAL HA H 17 3.910 4.036 -0.126 1 1 136 . 8 1 1 A 17 17 VAL C C 17 176.328 176.344 -0.016 1 1 137 . 8 1 1 A 17 17 VAL CA C 17 63.807 63.796 0.011 1 1 138 . 8 1 1 A 17 17 VAL CB C 17 33.088 32.512 0.576 1 1 141 . 8 1 1 A 17 17 VAL N N 17 128.880 128.422 0.458 1 1 142 . 8 1 1 A 18 18 SER H H 18 7.740 7.309 0.431 1 1 143 . 8 1 1 A 18 18 SER HA H 18 4.589 4.836 -0.247 1 1 146 . 8 1 1 A 18 18 SER C C 18 171.965 172.399 -0.434 1 1 147 . 8 1 1 A 18 18 SER CA C 18 57.441 57.519 -0.078 1 1 148 . 8 1 1 A 18 18 SER CB C 18 64.058 65.396 -1.338 1 1 149 . 8 1 1 A 18 18 SER N N 18 110.447 110.907 -0.460 1 1 150 . 8 1 1 A 19 19 ALA H H 19 8.114 8.379 -0.265 1 1 151 . 8 1 1 A 19 19 ALA HA H 19 5.086 5.131 -0.045 1 1 155 . 8 1 1 A 19 19 ALA C C 19 176.404 176.343 0.061 1 1 156 . 8 1 1 A 19 19 ALA CA C 19 52.453 50.931 1.522 1 1 157 . 8 1 1 A 19 19 ALA CB C 19 23.038 22.578 0.460 1 1 158 . 8 1 1 A 19 19 ALA N N 19 121.116 122.535 -1.419 1 1 159 . 8 1 1 A 20 20 THR H H 20 8.710 8.856 -0.146 1 1 160 . 8 1 1 A 20 20 THR HA H 20 4.787 4.802 -0.015 1 1 165 . 8 1 1 A 20 20 THR C C 20 175.596 174.688 0.908 1 1 166 . 8 1 1 A 20 20 THR CA C 20 60.341 60.423 -0.082 1 1 167 . 8 1 1 A 20 20 THR CB C 20 71.307 71.058 0.249 1 1 169 . 8 1 1 A 20 20 THR N N 20 110.762 111.890 -1.128 1 1 170 . 8 1 1 A 21 21 MET H H 21 8.686 8.635 0.051 1 1 171 . 8 1 1 A 21 21 MET HA H 21 4.618 4.439 0.179 1 1 179 . 8 1 1 A 21 21 MET C C 21 174.754 176.775 -2.021 1 1 180 . 8 1 1 A 21 21 MET CA C 21 59.272 56.951 2.321 1 1 181 . 8 1 1 A 21 21 MET CB C 21 34.488 33.163 1.325 1 1 184 . 8 1 1 A 21 21 MET N N 21 118.478 119.552 -1.074 1 1 185 . 8 1 1 A 22 22 ARG H H 22 7.296 7.831 -0.535 1 1 186 . 8 1 1 A 22 22 ARG HA H 22 4.453 4.599 -0.146 1 1 193 . 8 1 1 A 22 22 ARG C C 22 174.722 175.233 -0.511 1 1 194 . 8 1 1 A 22 22 ARG CA C 22 54.218 55.249 -1.031 1 1 195 . 8 1 1 A 22 22 ARG CB C 22 32.509 31.945 0.564 1 1 198 . 8 1 1 A 22 22 ARG N N 22 108.176 117.204 -9.028 1 1 199 . 8 1 1 A 23 23 SER H H 23 7.387 7.735 -0.348 1 1 200 . 8 1 1 A 23 23 SER HA H 23 5.353 4.919 0.434 1 1 203 . 8 1 1 A 23 23 SER C C 23 171.910 172.313 -0.403 1 1 204 . 8 1 1 A 23 23 SER CA C 23 57.230 57.629 -0.399 1 1 205 . 8 1 1 A 23 23 SER CB C 23 68.011 67.029 0.982 1 1 206 . 8 1 1 A 23 23 SER N N 23 114.861 114.350 0.511 1 1 207 . 8 1 1 A 24 24 ILE H H 24 8.061 8.664 -0.603 1 1 208 . 8 1 1 A 24 24 ILE HA H 24 4.470 4.849 -0.379 1 1 218 . 8 1 1 A 24 24 ILE C C 24 174.028 174.712 -0.684 1 1 219 . 8 1 1 A 24 24 ILE CA C 24 61.402 59.787 1.615 1 1 220 . 8 1 1 A 24 24 ILE CB C 24 43.249 42.167 1.082 1 1 224 . 8 1 1 A 24 24 ILE N N 24 116.152 121.363 -5.211 1 1 225 . 8 1 1 A 25 25 THR H H 25 8.584 9.011 -0.427 1 1 226 . 8 1 1 A 25 25 THR HA H 25 5.107 4.904 0.203 1 1 231 . 8 1 1 A 25 25 THR C C 25 173.463 173.615 -0.152 1 1 232 . 8 1 1 A 25 25 THR CA C 25 62.127 61.989 0.138 1 1 233 . 8 1 1 A 25 25 THR CB C 25 68.954 70.112 -1.158 1 1 235 . 8 1 1 A 25 25 THR N N 25 122.080 122.534 -0.454 1 1 236 . 8 1 1 A 26 26 LEU H H 26 9.093 8.841 0.252 1 1 237 . 8 1 1 A 26 26 LEU HA H 26 5.427 5.005 0.422 1 1 247 . 8 1 1 A 26 26 LEU C C 26 175.180 175.549 -0.369 1 1 248 . 8 1 1 A 26 26 LEU CA C 26 53.181 53.239 -0.058 1 1 249 . 8 1 1 A 26 26 LEU CB C 26 46.902 46.377 0.525 1 1 253 . 8 1 1 A 26 26 LEU N N 26 128.231 127.089 1.142 1 1 254 . 8 1 1 A 27 27 SER H H 27 9.260 8.815 0.445 1 1 255 . 8 1 1 A 27 27 SER HA H 27 4.757 4.844 -0.087 1 1 258 . 8 1 1 A 27 27 SER C C 27 172.413 172.668 -0.255 1 1 259 . 8 1 1 A 27 27 SER CA C 27 56.912 57.093 -0.181 1 1 260 . 8 1 1 A 27 27 SER CB C 27 66.220 65.228 0.992 1 1 261 . 8 1 1 A 27 27 SER N N 27 115.325 114.698 0.627 1 1 262 . 8 1 1 A 28 28 TRP H H 28 7.430 7.934 -0.504 1 1 263 . 8 1 1 A 28 28 TRP HA H 28 5.212 5.268 -0.056 1 1 272 . 8 1 1 A 28 28 TRP C C 28 171.555 173.206 -1.651 1 1 273 . 8 1 1 A 28 28 TRP CA C 28 55.143 55.084 0.059 1 1 274 . 8 1 1 A 28 28 TRP CB C 28 28.918 31.280 -2.362 1 1 280 . 8 1 1 A 28 28 TRP N N 28 119.703 121.549 -1.846 1 1 282 . 8 1 1 A 29 29 PRO HA H 29 4.543 4.581 -0.038 1 1 289 . 8 1 1 A 29 29 PRO C C 29 175.962 176.126 -0.164 1 1 290 . 8 1 1 A 29 29 PRO CA C 29 61.702 62.773 -1.071 1 1 291 . 8 1 1 A 29 29 PRO CB C 29 32.041 32.424 -0.383 1 1 294 . 8 1 1 A 30 30 GLN H H 30 8.248 8.527 -0.279 1 1 295 . 8 1 1 A 30 30 GLN HA H 30 4.654 4.608 0.046 1 1 302 . 8 1 1 A 30 30 GLN C C 30 174.856 175.024 -0.168 1 1 303 . 8 1 1 A 30 30 GLN CA C 30 54.524 53.862 0.662 1 1 304 . 8 1 1 A 30 30 GLN CB C 30 28.623 30.002 -1.379 1 1 306 . 8 1 1 A 30 30 GLN N N 30 117.321 121.236 -3.915 1 1 308 . 8 1 1 A 31 31 PRO HA H 31 4.116 4.829 -0.713 1 1 315 . 8 1 1 A 31 31 PRO C C 31 175.787 176.054 -0.267 1 1 316 . 8 1 1 A 31 31 PRO CA C 31 63.364 63.018 0.346 1 1 317 . 8 1 1 A 31 31 PRO CB C 31 32.503 33.441 -0.938 1 1 320 . 8 1 1 A 32 32 GLU H H 32 8.367 8.368 -0.001 1 1 321 . 8 1 1 A 32 32 GLU HA H 32 4.004 4.544 -0.540 1 1 326 . 8 1 1 A 32 32 GLU C C 32 176.748 176.900 -0.152 1 1 327 . 8 1 1 A 32 32 GLU CA C 32 58.644 56.142 2.502 1 1 328 . 8 1 1 A 32 32 GLU CB C 32 30.271 30.705 -0.434 1 1 330 . 8 1 1 A 32 32 GLU N N 32 122.959 116.938 6.021 1 1 331 . 8 1 1 A 33 33 GLN H H 33 8.220 7.726 0.494 1 1 332 . 8 1 1 A 33 33 GLN HA H 33 4.820 4.865 -0.045 1 1 339 . 8 1 1 A 33 33 GLN C C 33 172.938 174.338 -1.400 1 1 340 . 8 1 1 A 33 33 GLN CA C 33 52.544 53.521 -0.977 1 1 341 . 8 1 1 A 33 33 GLN CB C 33 29.077 29.236 -0.159 1 1 343 . 8 1 1 A 33 33 GLN N N 33 116.413 119.361 -2.948 1 1 345 . 8 1 1 A 34 34 PRO HA H 34 4.039 4.426 -0.387 1 1 352 . 8 1 1 A 34 34 PRO C C 34 175.293 176.546 -1.253 1 1 353 . 8 1 1 A 34 34 PRO CA C 34 64.248 63.656 0.592 1 1 354 . 8 1 1 A 34 34 PRO CB C 34 31.974 32.096 -0.122 1 1 357 . 8 1 1 A 35 35 ASN H H 35 8.478 8.111 0.367 1 1 358 . 8 1 1 A 35 35 ASN HA H 35 4.270 4.366 -0.096 1 1 363 . 8 1 1 A 35 35 ASN C C 35 173.982 174.569 -0.587 1 1 364 . 8 1 1 A 35 35 ASN CA C 35 53.655 54.537 -0.882 1 1 365 . 8 1 1 A 35 35 ASN CB C 35 37.151 37.052 0.099 1 1 366 . 8 1 1 A 35 35 ASN N N 35 111.907 115.436 -3.529 1 1 368 . 8 1 1 A 36 36 GLY H H 36 7.537 8.165 -0.628 1 1 369 . 8 1 1 A 36 36 GLY HA2 H 36 4.247 4.096 0.151 1 1 370 . 8 1 1 A 36 36 GLY HA3 H 36 3.749 4.107 -0.358 1 1 371 . 8 1 1 A 36 36 GLY C C 36 172.062 172.338 -0.276 1 1 372 . 8 1 1 A 36 36 GLY CA C 36 44.147 44.891 -0.744 1 1 373 . 8 1 1 A 36 36 GLY N N 36 105.149 105.682 -0.533 1 1 374 . 8 1 1 A 37 37 ILE H H 37 8.107 8.257 -0.150 1 1 375 . 8 1 1 A 37 37 ILE HA H 37 4.017 4.791 -0.774 1 1 385 . 8 1 1 A 37 37 ILE C C 37 176.534 175.883 0.651 1 1 386 . 8 1 1 A 37 37 ILE CA C 37 60.331 60.363 -0.032 1 1 387 . 8 1 1 A 37 37 ILE CB C 37 38.929 39.278 -0.349 1 1 391 . 8 1 1 A 37 37 ILE N N 37 120.104 122.145 -2.041 1 1 392 . 8 1 1 A 38 38 ILE H H 38 8.678 8.783 -0.105 1 1 393 . 8 1 1 A 38 38 ILE HA H 38 3.695 3.939 -0.244 1 1 403 . 8 1 1 A 38 38 ILE C C 38 176.027 175.237 0.790 1 1 404 . 8 1 1 A 38 38 ILE CA C 38 61.811 61.589 0.222 1 1 405 . 8 1 1 A 38 38 ILE CB C 38 37.028 36.850 0.178 1 1 409 . 8 1 1 A 38 38 ILE N N 38 127.591 128.520 -0.929 1 1 410 . 8 1 1 A 39 39 LEU H H 39 9.054 8.289 0.765 1 1 411 . 8 1 1 A 39 39 LEU HA H 39 4.188 4.087 0.101 1 1 421 . 8 1 1 A 39 39 LEU C C 39 176.826 176.592 0.234 1 1 422 . 8 1 1 A 39 39 LEU CA C 39 56.416 56.827 -0.411 1 1 423 . 8 1 1 A 39 39 LEU CB C 39 42.664 42.367 0.297 1 1 427 . 8 1 1 A 39 39 LEU N N 39 130.577 129.626 0.951 1 1 428 . 8 1 1 A 40 40 ASP H H 40 7.502 7.653 -0.151 1 1 429 . 8 1 1 A 40 40 ASP HA H 40 4.392 5.052 -0.660 1 1 432 . 8 1 1 A 40 40 ASP C C 40 171.781 173.632 -1.851 1 1 433 . 8 1 1 A 40 40 ASP CA C 40 52.884 52.815 0.069 1 1 434 . 8 1 1 A 40 40 ASP CB C 40 41.985 44.881 -2.896 1 1 435 . 8 1 1 A 40 40 ASP N N 40 112.731 115.645 -2.914 1 1 436 . 8 1 1 A 41 41 TYR H H 41 8.974 8.639 0.335 1 1 437 . 8 1 1 A 41 41 TYR HA H 41 5.379 5.393 -0.014 1 1 444 . 8 1 1 A 41 41 TYR C C 41 175.555 174.599 0.956 1 1 445 . 8 1 1 A 41 41 TYR CA C 41 56.574 56.740 -0.166 1 1 446 . 8 1 1 A 41 41 TYR CB C 41 42.213 41.728 0.485 1 1 449 . 8 1 1 A 41 41 TYR N N 41 111.324 118.462 -7.138 1 1 450 . 8 1 1 A 42 42 GLU H H 42 9.184 9.210 -0.026 1 1 451 . 8 1 1 A 42 42 GLU HA H 42 5.066 5.156 -0.090 1 1 456 . 8 1 1 A 42 42 GLU C C 42 174.368 175.304 -0.936 1 1 457 . 8 1 1 A 42 42 GLU CA C 42 55.126 55.509 -0.383 1 1 458 . 8 1 1 A 42 42 GLU CB C 42 33.471 31.597 1.874 1 1 460 . 8 1 1 A 42 42 GLU N N 42 120.875 124.259 -3.384 1 1 461 . 8 1 1 A 43 43 ILE H H 43 9.355 9.047 0.308 1 1 462 . 8 1 1 A 43 43 ILE HA H 43 4.853 5.115 -0.262 1 1 472 . 8 1 1 A 43 43 ILE C C 43 174.430 174.455 -0.025 1 1 473 . 8 1 1 A 43 43 ILE CA C 43 60.323 60.510 -0.187 1 1 474 . 8 1 1 A 43 43 ILE CB C 43 40.297 40.737 -0.440 1 1 478 . 8 1 1 A 43 43 ILE N N 43 126.045 126.555 -0.510 1 1 479 . 8 1 1 A 44 44 ARG H H 44 9.097 9.112 -0.015 1 1 480 . 8 1 1 A 44 44 ARG HA H 44 5.545 5.344 0.201 1 1 487 . 8 1 1 A 44 44 ARG C C 44 175.523 174.675 0.848 1 1 488 . 8 1 1 A 44 44 ARG CA C 44 54.386 54.476 -0.090 1 1 489 . 8 1 1 A 44 44 ARG CB C 44 34.638 32.820 1.818 1 1 492 . 8 1 1 A 44 44 ARG N N 44 127.831 129.634 -1.803 1 1 493 . 8 1 1 A 45 45 TYR H H 45 8.893 8.721 0.172 1 1 494 . 8 1 1 A 45 45 TYR HA H 45 6.272 5.934 0.338 1 1 501 . 8 1 1 A 45 45 TYR C C 45 173.560 173.346 0.214 1 1 502 . 8 1 1 A 45 45 TYR CA C 45 54.767 55.331 -0.564 1 1 503 . 8 1 1 A 45 45 TYR CB C 45 43.168 42.292 0.876 1 1 508 . 8 1 1 A 45 45 TYR N N 45 123.683 123.403 0.280 1 1 509 . 8 1 1 A 46 46 TYR H H 46 8.479 8.842 -0.363 1 1 510 . 8 1 1 A 46 46 TYR HA H 46 5.048 5.152 -0.104 1 1 517 . 8 1 1 A 46 46 TYR C C 46 173.870 174.549 -0.679 1 1 518 . 8 1 1 A 46 46 TYR CA C 46 55.485 55.950 -0.465 1 1 519 . 8 1 1 A 46 46 TYR CB C 46 39.975 41.133 -1.158 1 1 524 . 8 1 1 A 46 46 TYR N N 46 114.778 117.513 -2.735 1 1 525 . 8 1 1 A 47 47 GLU H H 47 9.111 8.608 0.503 1 1 526 . 8 1 1 A 47 47 GLU HA H 47 3.819 4.107 -0.288 1 1 531 . 8 1 1 A 47 47 GLU C C 47 177.764 177.636 0.128 1 1 532 . 8 1 1 A 47 47 GLU CA C 47 57.123 57.208 -0.085 1 1 533 . 8 1 1 A 47 47 GLU CB C 47 29.773 30.000 -0.227 1 1 535 . 8 1 1 A 47 47 GLU N N 47 122.069 122.428 -0.359 1 1 536 . 8 1 1 A 48 48 LYS H H 48 8.246 8.475 -0.229 1 1 537 . 8 1 1 A 48 48 LYS HA H 48 3.722 3.811 -0.089 1 1 546 . 8 1 1 A 48 48 LYS C C 48 176.588 178.428 -1.840 1 1 547 . 8 1 1 A 48 48 LYS CA C 48 59.774 59.776 -0.002 1 1 548 . 8 1 1 A 48 48 LYS CB C 48 33.032 32.152 0.880 1 1 552 . 8 1 1 A 48 48 LYS N N 48 122.857 125.018 -2.161 1 1 553 . 8 1 1 A 49 49 GLU H H 49 8.192 7.886 0.306 1 1 554 . 8 1 1 A 49 49 GLU HA H 49 4.216 4.264 -0.048 1 1 559 . 8 1 1 A 49 49 GLU C C 49 176.987 177.717 -0.730 1 1 560 . 8 1 1 A 49 49 GLU CA C 49 57.447 58.936 -1.489 1 1 561 . 8 1 1 A 49 49 GLU CB C 49 28.987 29.872 -0.885 1 1 563 . 8 1 1 A 49 49 GLU N N 49 114.305 117.506 -3.201 1 1 564 . 8 1 1 A 50 50 HIS H H 50 8.329 7.828 0.501 1 1 565 . 8 1 1 A 50 50 HIS HA H 50 4.928 4.628 0.300 1 1 570 . 8 1 1 A 50 50 HIS C C 50 173.255 174.790 -1.535 1 1 571 . 8 1 1 A 50 50 HIS CA C 50 54.372 56.931 -2.559 1 1 572 . 8 1 1 A 50 50 HIS CB C 50 31.082 30.821 0.261 1 1 575 . 8 1 1 A 50 50 HIS N N 50 120.021 118.324 1.697 1 1 576 . 8 1 1 A 51 51 ASN H H 51 7.687 8.395 -0.708 1 1 577 . 8 1 1 A 51 51 ASN HA H 51 4.259 4.740 -0.481 1 1 582 . 8 1 1 A 51 51 ASN C C 51 174.779 176.263 -1.484 1 1 583 . 8 1 1 A 51 51 ASN CA C 51 52.561 50.661 1.900 1 1 584 . 8 1 1 A 51 51 ASN CB C 51 39.474 39.927 -0.453 1 1 585 . 8 1 1 A 51 51 ASN N N 51 114.158 118.264 -4.106 1 1 587 . 8 1 1 A 52 52 GLU H H 52 8.551 8.475 0.076 1 1 588 . 8 1 1 A 52 52 GLU HA H 52 2.797 3.517 -0.720 1 1 593 . 8 1 1 A 52 52 GLU C C 52 177.117 178.746 -1.629 1 1 594 . 8 1 1 A 52 52 GLU CA C 52 58.155 59.331 -1.176 1 1 595 . 8 1 1 A 52 52 GLU CB C 52 28.912 28.927 -0.015 1 1 597 . 8 1 1 A 52 52 GLU N N 52 117.019 118.635 -1.616 1 1 598 . 8 1 1 A 53 53 PHE H H 53 7.855 8.334 -0.479 1 1 599 . 8 1 1 A 53 53 PHE HA H 53 4.371 4.014 0.357 1 1 607 . 8 1 1 A 53 53 PHE C C 53 175.783 177.467 -1.684 1 1 608 . 8 1 1 A 53 53 PHE CA C 53 58.785 61.848 -3.063 1 1 609 . 8 1 1 A 53 53 PHE CB C 53 37.747 39.058 -1.311 1 1 615 . 8 1 1 A 53 53 PHE N N 53 119.462 121.000 -1.538 1 1 616 . 8 1 1 A 54 54 ASN H H 54 7.744 7.831 -0.087 1 1 617 . 8 1 1 A 54 54 ASN HA H 54 4.948 4.810 0.138 1 1 622 . 8 1 1 A 54 54 ASN C C 54 173.922 174.206 -0.284 1 1 623 . 8 1 1 A 54 54 ASN CA C 54 52.102 51.837 0.265 1 1 624 . 8 1 1 A 54 54 ASN CB C 54 38.637 37.736 0.901 1 1 625 . 8 1 1 A 54 54 ASN N N 54 120.451 116.911 3.540 1 1 627 . 8 1 1 A 55 55 SER H H 55 7.469 7.663 -0.194 1 1 628 . 8 1 1 A 55 55 SER HA H 55 4.710 5.247 -0.537 1 1 631 . 8 1 1 A 55 55 SER C C 55 173.922 173.596 0.326 1 1 632 . 8 1 1 A 55 55 SER CA C 55 57.883 55.617 2.266 1 1 633 . 8 1 1 A 55 55 SER CB C 55 66.064 65.969 0.095 1 1 634 . 8 1 1 A 55 55 SER N N 55 113.429 114.416 -0.987 1 1 635 . 8 1 1 A 56 56 SER H H 56 8.458 8.319 0.139 1 1 636 . 8 1 1 A 56 56 SER HA H 56 4.632 5.014 -0.382 1 1 639 . 8 1 1 A 56 56 SER C C 56 171.119 172.885 -1.766 1 1 640 . 8 1 1 A 56 56 SER CA C 56 57.866 56.974 0.892 1 1 641 . 8 1 1 A 56 56 SER CB C 56 65.164 65.511 -0.347 1 1 642 . 8 1 1 A 56 56 SER N N 56 116.653 117.872 -1.219 1 1 643 . 8 1 1 A 57 57 MET H H 57 8.355 8.814 -0.459 1 1 644 . 8 1 1 A 57 57 MET HA H 57 5.776 5.663 0.113 1 1 652 . 8 1 1 A 57 57 MET C C 57 175.771 174.747 1.024 1 1 653 . 8 1 1 A 57 57 MET CA C 57 53.913 54.106 -0.193 1 1 654 . 8 1 1 A 57 57 MET CB C 57 36.115 36.661 -0.546 1 1 657 . 8 1 1 A 57 57 MET N N 57 119.463 123.134 -3.671 1 1 658 . 8 1 1 A 58 58 ALA H H 58 9.547 9.159 0.388 1 1 659 . 8 1 1 A 58 58 ALA HA H 58 4.890 5.283 -0.393 1 1 663 . 8 1 1 A 58 58 ALA C C 58 175.328 175.794 -0.466 1 1 664 . 8 1 1 A 58 58 ALA CA C 58 50.829 50.674 0.155 1 1 665 . 8 1 1 A 58 58 ALA CB C 58 22.649 23.316 -0.667 1 1 666 . 8 1 1 A 58 58 ALA N N 58 127.410 124.661 2.749 1 1 667 . 8 1 1 A 59 59 ARG H H 59 8.776 8.697 0.079 1 1 668 . 8 1 1 A 59 59 ARG HA H 59 5.567 5.078 0.489 1 1 675 . 8 1 1 A 59 59 ARG C C 59 176.336 175.337 0.999 1 1 676 . 8 1 1 A 59 59 ARG CA C 59 54.843 55.629 -0.786 1 1 677 . 8 1 1 A 59 59 ARG CB C 59 33.691 32.719 0.972 1 1 680 . 8 1 1 A 59 59 ARG N N 59 119.945 121.882 -1.937 1 1 681 . 8 1 1 A 60 60 SER H H 60 8.919 8.679 0.240 1 1 682 . 8 1 1 A 60 60 SER HA H 60 5.011 5.302 -0.291 1 1 685 . 8 1 1 A 60 60 SER C C 60 174.614 173.698 0.916 1 1 686 . 8 1 1 A 60 60 SER CA C 60 56.752 56.898 -0.146 1 1 687 . 8 1 1 A 60 60 SER CB C 60 66.198 65.596 0.602 1 1 688 . 8 1 1 A 60 60 SER N N 60 115.274 116.491 -1.217 1 1 689 . 8 1 1 A 61 61 GLN H H 61 9.367 8.838 0.529 1 1 690 . 8 1 1 A 61 61 GLN HA H 61 4.556 4.618 -0.062 1 1 697 . 8 1 1 A 61 61 GLN C C 61 175.391 175.131 0.260 1 1 698 . 8 1 1 A 61 61 GLN CA C 61 57.664 56.311 1.353 1 1 699 . 8 1 1 A 61 61 GLN CB C 61 29.763 29.358 0.405 1 1 701 . 8 1 1 A 61 61 GLN N N 61 124.808 123.381 1.427 1 1 703 . 8 1 1 A 62 62 THR H H 62 8.075 7.606 0.469 1 1 704 . 8 1 1 A 62 62 THR HA H 62 4.918 4.581 0.337 1 1 709 . 8 1 1 A 62 62 THR C C 62 173.106 173.048 0.058 1 1 710 . 8 1 1 A 62 62 THR CA C 62 59.369 60.389 -1.020 1 1 711 . 8 1 1 A 62 62 THR CB C 62 70.607 69.560 1.047 1 1 713 . 8 1 1 A 62 62 THR N N 62 110.260 113.913 -3.653 1 1 714 . 8 1 1 A 63 63 ASN H H 63 8.575 8.338 0.237 1 1 715 . 8 1 1 A 63 63 ASN HA H 63 3.457 3.909 -0.452 1 1 720 . 8 1 1 A 63 63 ASN C C 63 172.343 173.306 -0.963 1 1 721 . 8 1 1 A 63 63 ASN CA C 63 53.270 52.932 0.338 1 1 722 . 8 1 1 A 63 63 ASN CB C 63 34.441 38.031 -3.590 1 1 723 . 8 1 1 A 63 63 ASN N N 63 119.090 121.231 -2.141 1 1 725 . 8 1 1 A 64 64 THR H H 64 6.850 7.138 -0.288 1 1 726 . 8 1 1 A 64 64 THR HA H 64 4.296 4.123 0.173 1 1 731 . 8 1 1 A 64 64 THR C C 64 172.238 172.717 -0.479 1 1 732 . 8 1 1 A 64 64 THR CA C 64 60.501 59.967 0.534 1 1 733 . 8 1 1 A 64 64 THR CB C 64 71.252 71.219 0.033 1 1 735 . 8 1 1 A 64 64 THR N N 64 111.612 114.122 -2.510 1 1 736 . 8 1 1 A 65 65 ALA H H 65 8.619 8.308 0.311 1 1 737 . 8 1 1 A 65 65 ALA HA H 65 4.595 5.071 -0.476 1 1 741 . 8 1 1 A 65 65 ALA C C 65 174.046 174.376 -0.330 1 1 742 . 8 1 1 A 65 65 ALA CA C 65 52.102 51.029 1.073 1 1 743 . 8 1 1 A 65 65 ALA CB C 65 22.427 22.939 -0.512 1 1 744 . 8 1 1 A 65 65 ALA N N 65 124.370 130.678 -6.308 1 1 745 . 8 1 1 A 66 66 ARG H H 66 8.533 8.884 -0.351 1 1 746 . 8 1 1 A 66 66 ARG HA H 66 4.973 5.190 -0.217 1 1 753 . 8 1 1 A 66 66 ARG C C 66 175.240 174.644 0.596 1 1 754 . 8 1 1 A 66 66 ARG CA C 66 54.560 54.520 0.040 1 1 755 . 8 1 1 A 66 66 ARG CB C 66 32.088 33.318 -1.230 1 1 758 . 8 1 1 A 66 66 ARG N N 66 122.633 122.670 -0.037 1 1 759 . 8 1 1 A 67 67 ILE H H 67 8.967 8.818 0.149 1 1 760 . 8 1 1 A 67 67 ILE HA H 67 4.013 4.453 -0.440 1 1 770 . 8 1 1 A 67 67 ILE C C 67 174.026 174.905 -0.879 1 1 771 . 8 1 1 A 67 67 ILE CA C 67 60.377 59.758 0.619 1 1 772 . 8 1 1 A 67 67 ILE CB C 67 38.044 38.112 -0.068 1 1 776 . 8 1 1 A 67 67 ILE N N 67 128.560 127.678 0.882 1 1 777 . 8 1 1 A 68 68 ASP H H 68 8.117 8.649 -0.532 1 1 778 . 8 1 1 A 68 68 ASP HA H 68 5.060 5.067 -0.007 1 1 781 . 8 1 1 A 68 68 ASP C C 68 175.792 176.372 -0.580 1 1 782 . 8 1 1 A 68 68 ASP CA C 68 52.474 52.692 -0.218 1 1 783 . 8 1 1 A 68 68 ASP CB C 68 44.116 43.602 0.514 1 1 784 . 8 1 1 A 68 68 ASP N N 68 125.243 125.972 -0.729 1 1 785 . 8 1 1 A 69 69 GLY H H 69 8.568 8.603 -0.035 1 1 786 . 8 1 1 A 69 69 GLY HA2 H 69 3.951 3.967 -0.016 1 1 787 . 8 1 1 A 69 69 GLY HA3 H 69 3.830 3.968 -0.138 1 1 788 . 8 1 1 A 69 69 GLY C C 69 175.359 173.870 1.489 1 1 789 . 8 1 1 A 69 69 GLY CA C 69 46.356 45.611 0.745 1 1 790 . 8 1 1 A 69 69 GLY N N 69 105.736 111.192 -5.456 1 1 791 . 8 1 1 A 70 70 LEU H H 70 7.982 7.606 0.376 1 1 792 . 8 1 1 A 70 70 LEU HA H 70 4.356 4.800 -0.444 1 1 802 . 8 1 1 A 70 70 LEU C C 70 175.151 175.528 -0.377 1 1 803 . 8 1 1 A 70 70 LEU CA C 70 53.110 52.896 0.214 1 1 804 . 8 1 1 A 70 70 LEU CB C 70 40.992 44.638 -3.646 1 1 808 . 8 1 1 A 70 70 LEU N N 70 118.817 120.122 -1.305 1 1 809 . 8 1 1 A 71 71 ARG H H 71 8.148 8.396 -0.248 1 1 810 . 8 1 1 A 71 71 ARG HA H 71 4.922 4.834 0.088 1 1 817 . 8 1 1 A 71 71 ARG C C 71 174.419 173.879 0.540 1 1 818 . 8 1 1 A 71 71 ARG CA C 71 53.534 52.855 0.679 1 1 819 . 8 1 1 A 71 71 ARG CB C 71 32.001 31.272 0.729 1 1 822 . 8 1 1 A 71 71 ARG N N 71 118.182 120.570 -2.388 1 1 823 . 8 1 1 A 72 72 PRO HA H 72 5.168 4.605 0.563 1 1 830 . 8 1 1 A 72 72 PRO C C 72 178.121 177.695 0.426 1 1 831 . 8 1 1 A 72 72 PRO CA C 72 63.416 63.650 -0.234 1 1 832 . 8 1 1 A 72 72 PRO CB C 72 32.908 31.416 1.492 1 1 835 . 8 1 1 A 73 73 GLY H H 73 7.705 8.764 -1.059 1 1 836 . 8 1 1 A 73 73 GLY HA2 H 73 3.856 3.970 -0.114 1 1 837 . 8 1 1 A 73 73 GLY HA3 H 73 3.508 3.975 -0.467 1 1 838 . 8 1 1 A 73 73 GLY C C 73 173.685 173.874 -0.189 1 1 839 . 8 1 1 A 73 73 GLY CA C 73 46.731 46.441 0.290 1 1 840 . 8 1 1 A 73 73 GLY N N 73 112.669 111.868 0.801 1 1 841 . 8 1 1 A 74 74 MET H H 74 7.511 7.385 0.126 1 1 842 . 8 1 1 A 74 74 MET HA H 74 4.742 4.900 -0.158 1 1 850 . 8 1 1 A 74 74 MET C C 74 173.525 174.462 -0.937 1 1 851 . 8 1 1 A 74 74 MET CA C 74 53.216 54.323 -1.107 1 1 852 . 8 1 1 A 74 74 MET CB C 74 33.610 37.068 -3.458 1 1 855 . 8 1 1 A 74 74 MET N N 74 119.820 118.352 1.468 1 1 856 . 8 1 1 A 75 75 VAL H H 75 7.651 8.457 -0.806 1 1 857 . 8 1 1 A 75 75 VAL HA H 75 4.361 4.658 -0.297 1 1 865 . 8 1 1 A 75 75 VAL C C 75 174.677 174.885 -0.208 1 1 866 . 8 1 1 A 75 75 VAL CA C 75 61.581 61.558 0.023 1 1 867 . 8 1 1 A 75 75 VAL CB C 75 32.345 32.586 -0.241 1 1 870 . 8 1 1 A 75 75 VAL N N 75 121.287 122.321 -1.034 1 1 871 . 8 1 1 A 76 76 TYR H H 76 9.405 9.166 0.239 1 1 872 . 8 1 1 A 76 76 TYR HA H 76 4.743 5.016 -0.273 1 1 879 . 8 1 1 A 76 76 TYR C C 76 174.740 174.871 -0.131 1 1 880 . 8 1 1 A 76 76 TYR CA C 76 57.424 56.606 0.818 1 1 881 . 8 1 1 A 76 76 TYR CB C 76 41.151 41.664 -0.513 1 1 886 . 8 1 1 A 76 76 TYR N N 76 126.231 125.969 0.262 1 1 887 . 8 1 1 A 77 77 VAL H H 77 8.867 8.321 0.546 1 1 888 . 8 1 1 A 77 77 VAL HA H 77 4.318 4.683 -0.365 1 1 896 . 8 1 1 A 77 77 VAL C C 77 175.773 175.251 0.522 1 1 897 . 8 1 1 A 77 77 VAL CA C 77 61.473 62.459 -0.986 1 1 898 . 8 1 1 A 77 77 VAL CB C 77 31.218 30.804 0.414 1 1 901 . 8 1 1 A 77 77 VAL N N 77 123.699 124.249 -0.550 1 1 902 . 8 1 1 A 78 78 VAL H H 78 8.683 8.979 -0.296 1 1 903 . 8 1 1 A 78 78 VAL HA H 78 4.995 4.862 0.133 1 1 911 . 8 1 1 A 78 78 VAL C C 78 175.275 175.074 0.201 1 1 912 . 8 1 1 A 78 78 VAL CA C 78 60.942 61.177 -0.235 1 1 913 . 8 1 1 A 78 78 VAL CB C 78 34.790 33.328 1.462 1 1 916 . 8 1 1 A 78 78 VAL N N 78 124.155 128.749 -4.594 1 1 917 . 8 1 1 A 79 79 GLN H H 79 8.613 8.389 0.224 1 1 918 . 8 1 1 A 79 79 GLN HA H 79 4.511 4.987 -0.476 1 1 925 . 8 1 1 A 79 79 GLN C C 79 173.361 174.201 -0.840 1 1 926 . 8 1 1 A 79 79 GLN CA C 79 54.666 53.923 0.743 1 1 927 . 8 1 1 A 79 79 GLN CB C 79 36.751 33.003 3.748 1 1 929 . 8 1 1 A 79 79 GLN N N 79 121.693 124.396 -2.703 1 1 931 . 8 1 1 A 80 80 VAL H H 80 9.019 8.724 0.295 1 1 932 . 8 1 1 A 80 80 VAL HA H 80 5.801 5.103 0.698 1 1 940 . 8 1 1 A 80 80 VAL C C 80 174.526 174.039 0.487 1 1 941 . 8 1 1 A 80 80 VAL CA C 80 58.750 59.528 -0.778 1 1 942 . 8 1 1 A 80 80 VAL CB C 80 35.479 34.731 0.748 1 1 945 . 8 1 1 A 80 80 VAL N N 80 118.559 119.831 -1.272 1 1 946 . 8 1 1 A 81 81 ARG H H 81 9.199 8.707 0.492 1 1 947 . 8 1 1 A 81 81 ARG HA H 81 4.951 5.074 -0.123 1 1 955 . 8 1 1 A 81 81 ARG C C 81 172.660 174.251 -1.591 1 1 956 . 8 1 1 A 81 81 ARG CA C 81 54.295 53.639 0.656 1 1 957 . 8 1 1 A 81 81 ARG CB C 81 33.750 33.998 -0.248 1 1 960 . 8 1 1 A 81 81 ARG N N 81 125.225 126.153 -0.928 1 1 962 . 8 1 1 A 82 82 ALA H H 82 8.762 8.737 0.025 1 1 963 . 8 1 1 A 82 82 ALA HA H 82 4.820 5.237 -0.417 1 1 967 . 8 1 1 A 82 82 ALA C C 82 174.783 175.394 -0.611 1 1 968 . 8 1 1 A 82 82 ALA CA C 82 50.741 50.431 0.310 1 1 969 . 8 1 1 A 82 82 ALA CB C 82 22.383 20.930 1.453 1 1 970 . 8 1 1 A 82 82 ALA N N 82 124.292 122.731 1.561 1 1 971 . 8 1 1 A 83 83 ARG H H 83 8.336 8.378 -0.042 1 1 972 . 8 1 1 A 83 83 ARG HA H 83 4.737 4.955 -0.218 1 1 980 . 8 1 1 A 83 83 ARG C C 83 175.290 174.959 0.331 1 1 981 . 8 1 1 A 83 83 ARG CA C 83 55.727 54.277 1.450 1 1 982 . 8 1 1 A 83 83 ARG CB C 83 34.562 32.386 2.176 1 1 985 . 8 1 1 A 83 83 ARG N N 83 121.023 123.914 -2.891 1 1 987 . 8 1 1 A 84 84 THR H H 84 8.485 8.797 -0.312 1 1 988 . 8 1 1 A 84 84 THR HA H 84 4.875 4.825 0.050 1 1 993 . 8 1 1 A 84 84 THR C C 84 176.218 175.193 1.025 1 1 994 . 8 1 1 A 84 84 THR CA C 84 59.475 59.098 0.377 1 1 995 . 8 1 1 A 84 84 THR CB C 84 72.440 72.496 -0.056 1 1 997 . 8 1 1 A 84 84 THR N N 84 116.374 116.302 0.072 1 1 998 . 8 1 1 A 85 85 VAL H H 85 9.283 8.725 0.558 1 1 999 . 8 1 1 A 85 85 VAL HA H 85 3.794 3.803 -0.009 1 1 1007 . 8 1 1 A 85 85 VAL C C 85 175.930 177.094 -1.164 1 1 1008 . 8 1 1 A 85 85 VAL CA C 85 64.934 64.732 0.202 1 1 1009 . 8 1 1 A 85 85 VAL CB C 85 31.621 31.812 -0.191 1 1 1012 . 8 1 1 A 85 85 VAL N N 85 119.099 122.550 -3.451 1 1 1013 . 8 1 1 A 86 86 ALA H H 86 7.840 7.776 0.064 1 1 1014 . 8 1 1 A 86 86 ALA HA H 86 4.242 4.141 0.101 1 1 1018 . 8 1 1 A 86 86 ALA C C 86 177.467 177.446 0.021 1 1 1019 . 8 1 1 A 86 86 ALA CA C 86 52.774 54.313 -1.539 1 1 1020 . 8 1 1 A 86 86 ALA CB C 86 19.733 19.863 -0.130 1 1 1021 . 8 1 1 A 86 86 ALA N N 86 121.263 122.404 -1.141 1 1 1022 . 8 1 1 A 87 87 GLY H H 87 7.365 6.968 0.397 1 1 1023 . 8 1 1 A 87 87 GLY HA2 H 87 4.402 3.971 0.431 1 1 1024 . 8 1 1 A 87 87 GLY HA3 H 87 3.588 4.043 -0.455 1 1 1025 . 8 1 1 A 87 87 GLY C C 87 171.960 170.823 1.137 1 1 1026 . 8 1 1 A 87 87 GLY CA C 87 44.170 46.154 -1.984 1 1 1027 . 8 1 1 A 87 87 GLY N N 87 105.736 102.010 3.726 1 1 1028 . 8 1 1 A 88 88 TYR H H 88 8.444 8.552 -0.108 1 1 1029 . 8 1 1 A 88 88 TYR HA H 88 5.063 5.085 -0.022 1 1 1036 . 8 1 1 A 88 88 TYR C C 88 179.239 175.740 3.499 1 1 1037 . 8 1 1 A 88 88 TYR CA C 88 58.308 55.818 2.490 1 1 1038 . 8 1 1 A 88 88 TYR CB C 88 41.442 40.346 1.096 1 1 1043 . 8 1 1 A 88 88 TYR N N 88 116.996 120.204 -3.208 1 1 1044 . 8 1 1 A 89 89 GLY H H 89 8.676 8.760 -0.084 1 1 1045 . 8 1 1 A 89 89 GLY HA2 H 89 4.324 4.082 0.242 1 1 1046 . 8 1 1 A 89 89 GLY HA3 H 89 3.973 4.090 -0.117 1 1 1047 . 8 1 1 A 89 89 GLY C C 89 173.844 172.906 0.938 1 1 1048 . 8 1 1 A 89 89 GLY CA C 89 43.916 44.468 -0.552 1 1 1049 . 8 1 1 A 89 89 GLY N N 89 107.850 112.293 -4.443 1 1 1050 . 8 1 1 A 90 90 LYS H H 90 8.711 8.319 0.392 1 1 1051 . 8 1 1 A 90 90 LYS HA H 90 4.166 4.140 0.026 1 1 1060 . 8 1 1 A 90 90 LYS C C 90 177.819 176.948 0.871 1 1 1061 . 8 1 1 A 90 90 LYS CA C 90 56.162 56.245 -0.083 1 1 1062 . 8 1 1 A 90 90 LYS CB C 90 32.730 32.819 -0.089 1 1 1066 . 8 1 1 A 90 90 LYS N N 90 119.382 119.762 -0.380 1 1 1067 . 8 1 1 A 91 91 PHE H H 91 8.698 8.637 0.061 1 1 1068 . 8 1 1 A 91 91 PHE HA H 91 4.241 4.737 -0.496 1 1 1076 . 8 1 1 A 91 91 PHE C C 91 176.805 175.879 0.926 1 1 1077 . 8 1 1 A 91 91 PHE CA C 91 61.027 58.652 2.375 1 1 1078 . 8 1 1 A 91 91 PHE CB C 91 39.995 39.630 0.365 1 1 1084 . 8 1 1 A 91 91 PHE N N 91 120.691 121.570 -0.879 1 1 1085 . 8 1 1 A 92 92 SER H H 92 8.311 8.653 -0.342 1 1 1086 . 8 1 1 A 92 92 SER HA H 92 4.259 4.792 -0.533 1 1 1089 . 8 1 1 A 92 92 SER C C 92 173.499 174.873 -1.374 1 1 1090 . 8 1 1 A 92 92 SER CA C 92 58.146 57.102 1.044 1 1 1091 . 8 1 1 A 92 92 SER CB C 92 65.329 64.883 0.446 1 1 1092 . 8 1 1 A 92 92 SER N N 92 115.098 115.139 -0.041 1 1 1093 . 8 1 1 A 93 93 GLY H H 93 8.869 8.642 0.227 1 1 1094 . 8 1 1 A 93 93 GLY HA2 H 93 4.071 3.910 0.161 1 1 1095 . 8 1 1 A 93 93 GLY HA3 H 93 3.780 3.920 -0.140 1 1 1096 . 8 1 1 A 93 93 GLY C C 93 174.375 174.220 0.155 1 1 1097 . 8 1 1 A 93 93 GLY CA C 93 45.331 46.702 -1.371 1 1 1098 . 8 1 1 A 93 93 GLY N N 93 106.252 108.939 -2.687 1 1 1099 . 8 1 1 A 94 94 LYS H H 94 8.619 8.370 0.249 1 1 1100 . 8 1 1 A 94 94 LYS HA H 94 3.633 4.171 -0.538 1 1 1109 . 8 1 1 A 94 94 LYS C C 94 176.004 175.570 0.434 1 1 1110 . 8 1 1 A 94 94 LYS CA C 94 59.068 56.533 2.535 1 1 1111 . 8 1 1 A 94 94 LYS CB C 94 33.072 32.668 0.404 1 1 1115 . 8 1 1 A 94 94 LYS N N 94 122.645 123.592 -0.947 1 1 1116 . 8 1 1 A 95 95 MET H H 95 7.547 8.219 -0.672 1 1 1117 . 8 1 1 A 95 95 MET HA H 95 4.520 5.048 -0.528 1 1 1125 . 8 1 1 A 95 95 MET C C 95 173.400 173.800 -0.400 1 1 1126 . 8 1 1 A 95 95 MET CA C 95 54.701 53.847 0.854 1 1 1127 . 8 1 1 A 95 95 MET CB C 95 37.784 35.819 1.965 1 1 1130 . 8 1 1 A 95 95 MET N N 95 122.392 120.811 1.581 1 1 1131 . 8 1 1 A 96 96 CYS H H 96 7.888 8.573 -0.685 1 1 1132 . 8 1 1 A 96 96 CYS HA H 96 5.465 5.138 0.327 1 1 1135 . 8 1 1 A 96 96 CYS C C 96 173.757 172.966 0.791 1 1 1136 . 8 1 1 A 96 96 CYS CA C 96 57.353 56.962 0.391 1 1 1137 . 8 1 1 A 96 96 CYS CB C 96 29.941 28.891 1.050 1 1 1138 . 8 1 1 A 96 96 CYS N N 96 117.124 120.749 -3.625 1 1 1139 . 8 1 1 A 97 97 PHE H H 97 9.133 9.071 0.062 1 1 1140 . 8 1 1 A 97 97 PHE HA H 97 4.879 5.151 -0.272 1 1 1148 . 8 1 1 A 97 97 PHE C C 97 173.309 175.321 -2.012 1 1 1149 . 8 1 1 A 97 97 PHE CA C 97 56.983 56.402 0.581 1 1 1150 . 8 1 1 A 97 97 PHE CB C 97 44.074 41.848 2.226 1 1 1156 . 8 1 1 A 97 97 PHE N N 97 121.239 123.642 -2.403 1 1 1157 . 8 1 1 A 98 98 GLN H H 98 8.884 8.819 0.065 1 1 1158 . 8 1 1 A 98 98 GLN HA H 98 5.809 5.428 0.381 1 1 1165 . 8 1 1 A 98 98 GLN C C 98 176.454 175.770 0.684 1 1 1166 . 8 1 1 A 98 98 GLN CA C 98 54.125 54.707 -0.582 1 1 1167 . 8 1 1 A 98 98 GLN CB C 98 33.444 30.857 2.587 1 1 1169 . 8 1 1 A 98 98 GLN N N 98 120.699 121.766 -1.067 1 1 1171 . 8 1 1 A 99 99 THR H H 99 8.176 8.594 -0.418 1 1 1172 . 8 1 1 A 99 99 THR HA H 99 4.324 4.546 -0.222 1 1 1177 . 8 1 1 A 99 99 THR C C 99 175.929 174.205 1.724 1 1 1178 . 8 1 1 A 99 99 THR CA C 99 60.341 61.820 -1.479 1 1 1179 . 8 1 1 A 99 99 THR CB C 99 70.070 71.264 -1.194 1 1 1181 . 8 1 1 A 99 99 THR N N 99 112.214 112.505 -0.291 1 1 1182 . 8 1 1 A 100 100 LEU H H 100 7.368 8.535 -1.167 1 1 1183 . 8 1 1 A 100 100 LEU HA H 100 4.310 4.446 -0.136 1 1 1193 . 8 1 1 A 100 100 LEU C C 100 177.359 176.371 0.988 1 1 1194 . 8 1 1 A 100 100 LEU CA C 100 54.790 55.062 -0.272 1 1 1195 . 8 1 1 A 100 100 LEU CB C 100 42.096 42.440 -0.344 1 1 1199 . 8 1 1 A 100 100 LEU N N 100 117.018 122.167 -5.149 1 1 1200 . 8 1 1 A 101 101 THR H H 101 7.997 8.324 -0.327 1 1 1201 . 8 1 1 A 101 101 THR HA H 101 4.123 5.077 -0.954 1 1 1206 . 8 1 1 A 101 101 THR C C 101 174.014 174.464 -0.450 1 1 1207 . 8 1 1 A 101 101 THR CA C 101 61.968 60.611 1.357 1 1 1208 . 8 1 1 A 101 101 THR CB C 101 70.172 70.295 -0.123 1 1 1210 . 8 1 1 A 101 101 THR N N 101 110.428 114.453 -4.025 1 1 1211 . 8 1 1 A 102 102 ASP H H 102 8.320 8.955 -0.635 1 1 1212 . 8 1 1 A 102 102 ASP HA H 102 4.853 4.422 0.431 1 1 1215 . 8 1 1 A 102 102 ASP C C 102 176.204 176.749 -0.545 1 1 1216 . 8 1 1 A 102 102 ASP CA C 102 53.694 57.074 -3.380 1 1 1217 . 8 1 1 A 102 102 ASP CB C 102 41.808 41.203 0.605 1 1 1218 . 8 1 1 A 102 102 ASP N N 102 120.693 125.421 -4.728 1 1 1219 . 8 1 1 A 103 103 SER H H 103 8.294 7.884 0.410 1 1 1220 . 8 1 1 A 103 103 SER HA H 103 4.486 4.427 0.059 1 1 1223 . 8 1 1 A 103 103 SER C C 103 174.875 174.252 0.623 1 1 1224 . 8 1 1 A 103 103 SER CA C 103 58.361 58.157 0.204 1 1 1225 . 8 1 1 A 103 103 SER CB C 103 63.942 63.772 0.170 1 1 1226 . 8 1 1 A 103 103 SER N N 103 117.442 114.750 2.692 1 1 1227 . 8 1 1 A 104 104 GLY H H 104 8.393 8.631 -0.238 1 1 1228 . 8 1 1 A 104 104 GLY HA2 H 104 4.104 4.239 -0.135 1 1 1229 . 8 1 1 A 104 104 GLY HA3 H 104 4.104 4.240 -0.136 1 1 1230 . 8 1 1 A 104 104 GLY C C 104 172.016 173.239 -1.223 1 1 1231 . 8 1 1 A 104 104 GLY CA C 104 44.800 43.911 0.889 1 1 1232 . 8 1 1 A 104 104 GLY N N 104 111.065 113.749 -2.684 1 1 1233 . 8 1 1 A 105 105 PRO HA H 105 4.475 4.628 -0.153 1 1 1240 . 8 1 1 A 105 105 PRO C C 105 177.464 175.925 1.539 1 1 1241 . 8 1 1 A 105 105 PRO CA C 105 63.329 62.599 0.730 1 1 1242 . 8 1 1 A 105 105 PRO CB C 105 32.249 33.295 -1.046 1 1 1245 . 8 1 1 A 106 106 SER H H 106 8.514 8.291 0.223 1 1 1246 . 8 1 1 A 106 106 SER HA H 106 4.512 4.838 -0.326 1 1 1249 . 8 1 1 A 106 106 SER C C 106 174.735 173.758 0.977 1 1 1250 . 8 1 1 A 106 106 SER CA C 106 58.361 57.587 0.774 1 1 1251 . 8 1 1 A 106 106 SER CB C 106 63.820 65.680 -1.860 1 1 1252 . 8 1 1 A 106 106 SER N N 106 116.429 113.320 3.109 1 1 1253 . 8 1 1 A 107 107 SER H H 107 8.329 8.930 -0.601 1 1 1254 . 8 1 1 A 107 107 SER HA H 107 4.512 4.617 -0.105 1 1 1257 . 8 1 1 A 107 107 SER C C 107 174.004 174.985 -0.981 1 1 1258 . 8 1 1 A 107 107 SER CA C 107 58.414 59.907 -1.493 1 1 1259 . 8 1 1 A 107 107 SER CB C 107 64.014 63.905 0.109 1 1 1260 . 8 1 1 A 107 107 SER N N 107 117.919 117.344 0.575 1 1 1 . 9 1 1 A 6 6 SER HA H 6 4.523 4.888 -0.365 1 1 3 . 9 1 1 A 6 6 SER CA C 6 58.535 56.660 1.875 1 1 4 . 9 1 1 A 6 6 SER CB C 6 64.106 64.513 -0.407 1 1 5 . 9 1 1 A 7 7 GLY H H 7 8.202 8.341 -0.139 1 1 6 . 9 1 1 A 7 7 GLY HA2 H 7 3.881 4.134 -0.253 1 1 7 . 9 1 1 A 7 7 GLY HA3 H 7 3.740 4.141 -0.401 1 1 8 . 9 1 1 A 7 7 GLY CA C 7 44.322 44.209 0.113 1 1 9 . 9 1 1 A 7 7 GLY N N 7 109.573 114.187 -4.614 1 1 10 . 9 1 1 A 8 8 PRO HA H 8 4.641 4.546 0.095 1 1 17 . 9 1 1 A 8 8 PRO C C 8 176.480 176.767 -0.287 1 1 18 . 9 1 1 A 8 8 PRO CA C 8 62.582 62.554 0.028 1 1 19 . 9 1 1 A 8 8 PRO CB C 8 32.331 32.641 -0.310 1 1 22 . 9 1 1 A 9 9 SER H H 9 8.061 8.319 -0.258 1 1 23 . 9 1 1 A 9 9 SER HA H 9 4.374 4.584 -0.210 1 1 26 . 9 1 1 A 9 9 SER C C 9 173.090 173.809 -0.719 1 1 27 . 9 1 1 A 9 9 SER CA C 9 58.754 57.529 1.225 1 1 28 . 9 1 1 A 9 9 SER CB C 9 63.667 64.839 -1.172 1 1 29 . 9 1 1 A 9 9 SER N N 9 115.137 114.551 0.586 1 1 30 . 9 1 1 A 10 10 THR H H 10 8.359 8.593 -0.234 1 1 31 . 9 1 1 A 10 10 THR HA H 10 4.027 4.924 -0.897 1 1 36 . 9 1 1 A 10 10 THR C C 10 175.380 172.993 2.387 1 1 37 . 9 1 1 A 10 10 THR CA C 10 62.781 59.797 2.984 1 1 38 . 9 1 1 A 10 10 THR CB C 10 69.617 71.891 -2.274 1 1 40 . 9 1 1 A 10 10 THR N N 10 115.079 115.568 -0.489 1 1 41 . 9 1 1 A 11 11 VAL H H 11 9.280 8.767 0.513 1 1 42 . 9 1 1 A 11 11 VAL HA H 11 4.097 4.229 -0.132 1 1 50 . 9 1 1 A 11 11 VAL C C 11 175.706 176.314 -0.608 1 1 51 . 9 1 1 A 11 11 VAL CA C 11 61.518 60.740 0.778 1 1 52 . 9 1 1 A 11 11 VAL CB C 11 33.174 32.095 1.079 1 1 55 . 9 1 1 A 11 11 VAL N N 11 131.182 125.425 5.757 1 1 56 . 9 1 1 A 12 12 PRO HA H 12 4.415 4.498 -0.083 1 1 63 . 9 1 1 A 12 12 PRO C C 12 175.612 176.376 -0.764 1 1 64 . 9 1 1 A 12 12 PRO CA C 12 64.850 64.885 -0.035 1 1 65 . 9 1 1 A 12 12 PRO CB C 12 32.578 32.225 0.353 1 1 68 . 9 1 1 A 13 13 ILE H H 13 7.251 7.544 -0.293 1 1 69 . 9 1 1 A 13 13 ILE HA H 13 4.439 4.646 -0.207 1 1 79 . 9 1 1 A 13 13 ILE C C 13 170.969 173.365 -2.396 1 1 80 . 9 1 1 A 13 13 ILE CA C 13 59.973 59.393 0.580 1 1 81 . 9 1 1 A 13 13 ILE CB C 13 40.776 41.773 -0.997 1 1 85 . 9 1 1 A 13 13 ILE N N 13 115.827 115.997 -0.170 1 1 86 . 9 1 1 A 14 14 MET H H 14 6.827 8.772 -1.945 1 1 87 . 9 1 1 A 14 14 MET HA H 14 4.961 5.514 -0.553 1 1 95 . 9 1 1 A 14 14 MET C C 14 173.380 174.643 -1.263 1 1 96 . 9 1 1 A 14 14 MET CA C 14 55.214 54.225 0.989 1 1 97 . 9 1 1 A 14 14 MET CB C 14 38.223 36.083 2.140 1 1 100 . 9 1 1 A 14 14 MET N N 14 116.754 125.737 -8.983 1 1 101 . 9 1 1 A 15 15 HIS H H 15 9.417 9.074 0.343 1 1 102 . 9 1 1 A 15 15 HIS HA H 15 4.958 5.179 -0.221 1 1 107 . 9 1 1 A 15 15 HIS C C 15 173.901 173.875 0.026 1 1 108 . 9 1 1 A 15 15 HIS CA C 15 55.190 54.386 0.804 1 1 109 . 9 1 1 A 15 15 HIS CB C 15 33.361 33.770 -0.409 1 1 112 . 9 1 1 A 15 15 HIS N N 15 118.539 118.368 0.171 1 1 113 . 9 1 1 A 16 16 GLN H H 16 9.164 9.004 0.160 1 1 114 . 9 1 1 A 16 16 GLN HA H 16 4.385 4.719 -0.334 1 1 121 . 9 1 1 A 16 16 GLN C C 16 175.463 174.913 0.550 1 1 122 . 9 1 1 A 16 16 GLN CA C 16 55.992 54.601 1.391 1 1 123 . 9 1 1 A 16 16 GLN CB C 16 29.159 30.724 -1.565 1 1 125 . 9 1 1 A 16 16 GLN N N 16 123.267 122.993 0.274 1 1 127 . 9 1 1 A 17 17 VAL H H 17 8.983 8.917 0.066 1 1 128 . 9 1 1 A 17 17 VAL HA H 17 3.910 4.153 -0.243 1 1 136 . 9 1 1 A 17 17 VAL C C 17 176.328 175.717 0.611 1 1 137 . 9 1 1 A 17 17 VAL CA C 17 63.807 63.386 0.421 1 1 138 . 9 1 1 A 17 17 VAL CB C 17 33.088 33.047 0.041 1 1 141 . 9 1 1 A 17 17 VAL N N 17 128.880 127.459 1.421 1 1 142 . 9 1 1 A 18 18 SER H H 18 7.740 7.608 0.132 1 1 143 . 9 1 1 A 18 18 SER HA H 18 4.589 4.640 -0.051 1 1 146 . 9 1 1 A 18 18 SER C C 18 171.965 172.090 -0.125 1 1 147 . 9 1 1 A 18 18 SER CA C 18 57.441 56.868 0.573 1 1 148 . 9 1 1 A 18 18 SER CB C 18 64.058 64.903 -0.845 1 1 149 . 9 1 1 A 18 18 SER N N 18 110.447 111.572 -1.125 1 1 150 . 9 1 1 A 19 19 ALA H H 19 8.114 8.434 -0.320 1 1 151 . 9 1 1 A 19 19 ALA HA H 19 5.086 4.814 0.272 1 1 155 . 9 1 1 A 19 19 ALA C C 19 176.404 175.971 0.433 1 1 156 . 9 1 1 A 19 19 ALA CA C 19 52.453 51.640 0.813 1 1 157 . 9 1 1 A 19 19 ALA CB C 19 23.038 22.962 0.076 1 1 158 . 9 1 1 A 19 19 ALA N N 19 121.116 124.295 -3.179 1 1 159 . 9 1 1 A 20 20 THR H H 20 8.710 8.473 0.237 1 1 160 . 9 1 1 A 20 20 THR HA H 20 4.787 4.914 -0.127 1 1 165 . 9 1 1 A 20 20 THR C C 20 175.596 174.944 0.652 1 1 166 . 9 1 1 A 20 20 THR CA C 20 60.341 59.877 0.464 1 1 167 . 9 1 1 A 20 20 THR CB C 20 71.307 71.309 -0.002 1 1 169 . 9 1 1 A 20 20 THR N N 20 110.762 111.027 -0.265 1 1 170 . 9 1 1 A 21 21 MET H H 21 8.686 8.735 -0.049 1 1 171 . 9 1 1 A 21 21 MET HA H 21 4.618 4.347 0.271 1 1 179 . 9 1 1 A 21 21 MET C C 21 174.754 176.489 -1.735 1 1 180 . 9 1 1 A 21 21 MET CA C 21 59.272 57.399 1.873 1 1 181 . 9 1 1 A 21 21 MET CB C 21 34.488 32.889 1.599 1 1 184 . 9 1 1 A 21 21 MET N N 21 118.478 120.117 -1.639 1 1 185 . 9 1 1 A 22 22 ARG H H 22 7.296 7.806 -0.510 1 1 186 . 9 1 1 A 22 22 ARG HA H 22 4.453 4.494 -0.041 1 1 193 . 9 1 1 A 22 22 ARG C C 22 174.722 174.753 -0.031 1 1 194 . 9 1 1 A 22 22 ARG CA C 22 54.218 55.355 -1.137 1 1 195 . 9 1 1 A 22 22 ARG CB C 22 32.509 31.432 1.077 1 1 198 . 9 1 1 A 22 22 ARG N N 22 108.176 117.181 -9.005 1 1 199 . 9 1 1 A 23 23 SER H H 23 7.387 7.481 -0.094 1 1 200 . 9 1 1 A 23 23 SER HA H 23 5.353 4.957 0.396 1 1 203 . 9 1 1 A 23 23 SER C C 23 171.910 172.083 -0.173 1 1 204 . 9 1 1 A 23 23 SER CA C 23 57.230 56.886 0.344 1 1 205 . 9 1 1 A 23 23 SER CB C 23 68.011 64.610 3.401 1 1 206 . 9 1 1 A 23 23 SER N N 23 114.861 113.316 1.545 1 1 207 . 9 1 1 A 24 24 ILE H H 24 8.061 8.479 -0.418 1 1 208 . 9 1 1 A 24 24 ILE HA H 24 4.470 4.736 -0.266 1 1 218 . 9 1 1 A 24 24 ILE C C 24 174.028 174.466 -0.438 1 1 219 . 9 1 1 A 24 24 ILE CA C 24 61.402 60.192 1.210 1 1 220 . 9 1 1 A 24 24 ILE CB C 24 43.249 41.174 2.075 1 1 224 . 9 1 1 A 24 24 ILE N N 24 116.152 122.321 -6.169 1 1 225 . 9 1 1 A 25 25 THR H H 25 8.584 8.764 -0.180 1 1 226 . 9 1 1 A 25 25 THR HA H 25 5.107 4.869 0.238 1 1 231 . 9 1 1 A 25 25 THR C C 25 173.463 173.602 -0.139 1 1 232 . 9 1 1 A 25 25 THR CA C 25 62.127 61.790 0.337 1 1 233 . 9 1 1 A 25 25 THR CB C 25 68.954 70.453 -1.499 1 1 235 . 9 1 1 A 25 25 THR N N 25 122.080 122.721 -0.641 1 1 236 . 9 1 1 A 26 26 LEU H H 26 9.093 8.619 0.474 1 1 237 . 9 1 1 A 26 26 LEU HA H 26 5.427 4.893 0.534 1 1 247 . 9 1 1 A 26 26 LEU C C 26 175.180 175.093 0.087 1 1 248 . 9 1 1 A 26 26 LEU CA C 26 53.181 53.589 -0.408 1 1 249 . 9 1 1 A 26 26 LEU CB C 26 46.902 46.707 0.195 1 1 253 . 9 1 1 A 26 26 LEU N N 26 128.231 125.628 2.603 1 1 254 . 9 1 1 A 27 27 SER H H 27 9.260 8.932 0.328 1 1 255 . 9 1 1 A 27 27 SER HA H 27 4.757 4.856 -0.099 1 1 258 . 9 1 1 A 27 27 SER C C 27 172.413 173.239 -0.826 1 1 259 . 9 1 1 A 27 27 SER CA C 27 56.912 57.461 -0.549 1 1 260 . 9 1 1 A 27 27 SER CB C 27 66.220 66.263 -0.043 1 1 261 . 9 1 1 A 27 27 SER N N 27 115.325 113.504 1.821 1 1 262 . 9 1 1 A 28 28 TRP H H 28 7.430 7.963 -0.533 1 1 263 . 9 1 1 A 28 28 TRP HA H 28 5.212 5.715 -0.503 1 1 272 . 9 1 1 A 28 28 TRP C C 28 171.555 173.928 -2.373 1 1 273 . 9 1 1 A 28 28 TRP CA C 28 55.143 54.453 0.690 1 1 274 . 9 1 1 A 28 28 TRP CB C 28 28.918 32.432 -3.514 1 1 280 . 9 1 1 A 28 28 TRP N N 28 119.703 119.857 -0.154 1 1 282 . 9 1 1 A 29 29 PRO HA H 29 4.543 4.557 -0.014 1 1 289 . 9 1 1 A 29 29 PRO C C 29 175.962 175.980 -0.018 1 1 290 . 9 1 1 A 29 29 PRO CA C 29 61.702 62.657 -0.955 1 1 291 . 9 1 1 A 29 29 PRO CB C 29 32.041 32.519 -0.478 1 1 294 . 9 1 1 A 30 30 GLN H H 30 8.248 8.537 -0.289 1 1 295 . 9 1 1 A 30 30 GLN HA H 30 4.654 4.637 0.017 1 1 302 . 9 1 1 A 30 30 GLN C C 30 174.856 174.974 -0.118 1 1 303 . 9 1 1 A 30 30 GLN CA C 30 54.524 53.775 0.749 1 1 304 . 9 1 1 A 30 30 GLN CB C 30 28.623 30.038 -1.415 1 1 306 . 9 1 1 A 30 30 GLN N N 30 117.321 120.981 -3.660 1 1 308 . 9 1 1 A 31 31 PRO HA H 31 4.116 4.826 -0.710 1 1 315 . 9 1 1 A 31 31 PRO C C 31 175.787 176.887 -1.100 1 1 316 . 9 1 1 A 31 31 PRO CA C 31 63.364 62.773 0.591 1 1 317 . 9 1 1 A 31 31 PRO CB C 31 32.503 33.583 -1.080 1 1 320 . 9 1 1 A 32 32 GLU H H 32 8.367 8.954 -0.587 1 1 321 . 9 1 1 A 32 32 GLU HA H 32 4.004 4.602 -0.598 1 1 326 . 9 1 1 A 32 32 GLU C C 32 176.748 176.889 -0.141 1 1 327 . 9 1 1 A 32 32 GLU CA C 32 58.644 56.576 2.068 1 1 328 . 9 1 1 A 32 32 GLU CB C 32 30.271 31.418 -1.147 1 1 330 . 9 1 1 A 32 32 GLU N N 32 122.959 119.332 3.627 1 1 331 . 9 1 1 A 33 33 GLN H H 33 8.220 7.746 0.474 1 1 332 . 9 1 1 A 33 33 GLN HA H 33 4.820 4.867 -0.047 1 1 339 . 9 1 1 A 33 33 GLN C C 33 172.938 174.392 -1.454 1 1 340 . 9 1 1 A 33 33 GLN CA C 33 52.544 53.515 -0.971 1 1 341 . 9 1 1 A 33 33 GLN CB C 33 29.077 29.307 -0.230 1 1 343 . 9 1 1 A 33 33 GLN N N 33 116.413 118.802 -2.389 1 1 345 . 9 1 1 A 34 34 PRO HA H 34 4.039 4.533 -0.494 1 1 352 . 9 1 1 A 34 34 PRO C C 34 175.293 176.703 -1.410 1 1 353 . 9 1 1 A 34 34 PRO CA C 34 64.248 63.650 0.598 1 1 354 . 9 1 1 A 34 34 PRO CB C 34 31.974 32.150 -0.176 1 1 357 . 9 1 1 A 35 35 ASN H H 35 8.478 8.106 0.372 1 1 358 . 9 1 1 A 35 35 ASN HA H 35 4.270 4.385 -0.115 1 1 363 . 9 1 1 A 35 35 ASN C C 35 173.982 174.404 -0.422 1 1 364 . 9 1 1 A 35 35 ASN CA C 35 53.655 54.545 -0.890 1 1 365 . 9 1 1 A 35 35 ASN CB C 35 37.151 37.055 0.096 1 1 366 . 9 1 1 A 35 35 ASN N N 35 111.907 114.820 -2.913 1 1 368 . 9 1 1 A 36 36 GLY H H 36 7.537 7.694 -0.157 1 1 369 . 9 1 1 A 36 36 GLY HA2 H 36 4.247 3.999 0.248 1 1 370 . 9 1 1 A 36 36 GLY HA3 H 36 3.749 4.009 -0.260 1 1 371 . 9 1 1 A 36 36 GLY C C 36 172.062 172.439 -0.377 1 1 372 . 9 1 1 A 36 36 GLY CA C 36 44.147 45.465 -1.318 1 1 373 . 9 1 1 A 36 36 GLY N N 36 105.149 106.835 -1.686 1 1 374 . 9 1 1 A 37 37 ILE H H 37 8.107 8.574 -0.467 1 1 375 . 9 1 1 A 37 37 ILE HA H 37 4.017 3.955 0.062 1 1 385 . 9 1 1 A 37 37 ILE C C 37 176.534 175.515 1.019 1 1 386 . 9 1 1 A 37 37 ILE CA C 37 60.331 62.149 -1.818 1 1 387 . 9 1 1 A 37 37 ILE CB C 37 38.929 37.802 1.127 1 1 391 . 9 1 1 A 37 37 ILE N N 37 120.104 121.675 -1.571 1 1 392 . 9 1 1 A 38 38 ILE H H 38 8.678 8.739 -0.061 1 1 393 . 9 1 1 A 38 38 ILE HA H 38 3.695 4.219 -0.524 1 1 403 . 9 1 1 A 38 38 ILE C C 38 176.027 175.350 0.677 1 1 404 . 9 1 1 A 38 38 ILE CA C 38 61.811 60.958 0.853 1 1 405 . 9 1 1 A 38 38 ILE CB C 38 37.028 36.739 0.289 1 1 409 . 9 1 1 A 38 38 ILE N N 38 127.591 128.091 -0.500 1 1 410 . 9 1 1 A 39 39 LEU H H 39 9.054 8.262 0.792 1 1 411 . 9 1 1 A 39 39 LEU HA H 39 4.188 3.918 0.270 1 1 421 . 9 1 1 A 39 39 LEU C C 39 176.826 176.526 0.300 1 1 422 . 9 1 1 A 39 39 LEU CA C 39 56.416 57.874 -1.458 1 1 423 . 9 1 1 A 39 39 LEU CB C 39 42.664 42.092 0.572 1 1 427 . 9 1 1 A 39 39 LEU N N 39 130.577 130.006 0.571 1 1 428 . 9 1 1 A 40 40 ASP H H 40 7.502 7.477 0.025 1 1 429 . 9 1 1 A 40 40 ASP HA H 40 4.392 4.781 -0.389 1 1 432 . 9 1 1 A 40 40 ASP C C 40 171.781 172.573 -0.792 1 1 433 . 9 1 1 A 40 40 ASP CA C 40 52.884 52.716 0.168 1 1 434 . 9 1 1 A 40 40 ASP CB C 40 41.985 42.793 -0.808 1 1 435 . 9 1 1 A 40 40 ASP N N 40 112.731 113.369 -0.638 1 1 436 . 9 1 1 A 41 41 TYR H H 41 8.974 8.590 0.384 1 1 437 . 9 1 1 A 41 41 TYR HA H 41 5.379 5.247 0.132 1 1 444 . 9 1 1 A 41 41 TYR C C 41 175.555 174.514 1.041 1 1 445 . 9 1 1 A 41 41 TYR CA C 41 56.574 56.814 -0.240 1 1 446 . 9 1 1 A 41 41 TYR CB C 41 42.213 41.602 0.611 1 1 449 . 9 1 1 A 41 41 TYR N N 41 111.324 116.150 -4.826 1 1 450 . 9 1 1 A 42 42 GLU H H 42 9.184 9.195 -0.011 1 1 451 . 9 1 1 A 42 42 GLU HA H 42 5.066 4.974 0.092 1 1 456 . 9 1 1 A 42 42 GLU C C 42 174.368 175.268 -0.900 1 1 457 . 9 1 1 A 42 42 GLU CA C 42 55.126 55.868 -0.742 1 1 458 . 9 1 1 A 42 42 GLU CB C 42 33.471 31.250 2.221 1 1 460 . 9 1 1 A 42 42 GLU N N 42 120.875 124.804 -3.929 1 1 461 . 9 1 1 A 43 43 ILE H H 43 9.355 8.255 1.100 1 1 462 . 9 1 1 A 43 43 ILE HA H 43 4.853 5.149 -0.296 1 1 472 . 9 1 1 A 43 43 ILE C C 43 174.430 174.245 0.185 1 1 473 . 9 1 1 A 43 43 ILE CA C 43 60.323 60.190 0.133 1 1 474 . 9 1 1 A 43 43 ILE CB C 43 40.297 42.492 -2.195 1 1 478 . 9 1 1 A 43 43 ILE N N 43 126.045 125.915 0.130 1 1 479 . 9 1 1 A 44 44 ARG H H 44 9.097 9.163 -0.066 1 1 480 . 9 1 1 A 44 44 ARG HA H 44 5.545 4.967 0.578 1 1 487 . 9 1 1 A 44 44 ARG C C 44 175.523 174.249 1.274 1 1 488 . 9 1 1 A 44 44 ARG CA C 44 54.386 54.298 0.088 1 1 489 . 9 1 1 A 44 44 ARG CB C 44 34.638 32.737 1.901 1 1 492 . 9 1 1 A 44 44 ARG N N 44 127.831 128.225 -0.394 1 1 493 . 9 1 1 A 45 45 TYR H H 45 8.893 8.108 0.785 1 1 494 . 9 1 1 A 45 45 TYR HA H 45 6.272 6.098 0.174 1 1 501 . 9 1 1 A 45 45 TYR C C 45 173.560 173.361 0.199 1 1 502 . 9 1 1 A 45 45 TYR CA C 45 54.767 55.172 -0.405 1 1 503 . 9 1 1 A 45 45 TYR CB C 45 43.168 42.178 0.990 1 1 508 . 9 1 1 A 45 45 TYR N N 45 123.683 123.751 -0.068 1 1 509 . 9 1 1 A 46 46 TYR H H 46 8.479 8.369 0.110 1 1 510 . 9 1 1 A 46 46 TYR HA H 46 5.048 5.242 -0.194 1 1 517 . 9 1 1 A 46 46 TYR C C 46 173.870 174.249 -0.379 1 1 518 . 9 1 1 A 46 46 TYR CA C 46 55.485 55.930 -0.445 1 1 519 . 9 1 1 A 46 46 TYR CB C 46 39.975 41.055 -1.080 1 1 524 . 9 1 1 A 46 46 TYR N N 46 114.778 117.674 -2.896 1 1 525 . 9 1 1 A 47 47 GLU H H 47 9.111 8.748 0.363 1 1 526 . 9 1 1 A 47 47 GLU HA H 47 3.819 3.878 -0.059 1 1 531 . 9 1 1 A 47 47 GLU C C 47 177.764 177.879 -0.115 1 1 532 . 9 1 1 A 47 47 GLU CA C 47 57.123 56.941 0.182 1 1 533 . 9 1 1 A 47 47 GLU CB C 47 29.773 29.809 -0.036 1 1 535 . 9 1 1 A 47 47 GLU N N 47 122.069 121.312 0.757 1 1 536 . 9 1 1 A 48 48 LYS H H 48 8.246 8.619 -0.373 1 1 537 . 9 1 1 A 48 48 LYS HA H 48 3.722 4.052 -0.330 1 1 546 . 9 1 1 A 48 48 LYS C C 48 176.588 177.986 -1.398 1 1 547 . 9 1 1 A 48 48 LYS CA C 48 59.774 59.065 0.709 1 1 548 . 9 1 1 A 48 48 LYS CB C 48 33.032 32.239 0.793 1 1 552 . 9 1 1 A 48 48 LYS N N 48 122.857 124.512 -1.655 1 1 553 . 9 1 1 A 49 49 GLU H H 49 8.192 7.717 0.475 1 1 554 . 9 1 1 A 49 49 GLU HA H 49 4.216 4.328 -0.112 1 1 559 . 9 1 1 A 49 49 GLU C C 49 176.987 176.938 0.049 1 1 560 . 9 1 1 A 49 49 GLU CA C 49 57.447 57.961 -0.514 1 1 561 . 9 1 1 A 49 49 GLU CB C 49 28.987 30.499 -1.512 1 1 563 . 9 1 1 A 49 49 GLU N N 49 114.305 116.643 -2.338 1 1 564 . 9 1 1 A 50 50 HIS H H 50 8.329 8.142 0.187 1 1 565 . 9 1 1 A 50 50 HIS HA H 50 4.928 4.791 0.137 1 1 570 . 9 1 1 A 50 50 HIS C C 50 173.255 174.572 -1.317 1 1 571 . 9 1 1 A 50 50 HIS CA C 50 54.372 56.295 -1.923 1 1 572 . 9 1 1 A 50 50 HIS CB C 50 31.082 31.782 -0.700 1 1 575 . 9 1 1 A 50 50 HIS N N 50 120.021 118.133 1.888 1 1 576 . 9 1 1 A 51 51 ASN H H 51 7.687 8.528 -0.841 1 1 577 . 9 1 1 A 51 51 ASN HA H 51 4.259 4.258 0.001 1 1 582 . 9 1 1 A 51 51 ASN C C 51 174.779 175.364 -0.585 1 1 583 . 9 1 1 A 51 51 ASN CA C 51 52.561 51.327 1.234 1 1 584 . 9 1 1 A 51 51 ASN CB C 51 39.474 41.252 -1.778 1 1 585 . 9 1 1 A 51 51 ASN N N 51 114.158 118.098 -3.940 1 1 587 . 9 1 1 A 52 52 GLU H H 52 8.551 8.647 -0.096 1 1 588 . 9 1 1 A 52 52 GLU HA H 52 2.797 4.362 -1.565 1 1 593 . 9 1 1 A 52 52 GLU C C 52 177.117 178.802 -1.685 1 1 594 . 9 1 1 A 52 52 GLU CA C 52 58.155 59.302 -1.147 1 1 595 . 9 1 1 A 52 52 GLU CB C 52 28.912 29.114 -0.202 1 1 597 . 9 1 1 A 52 52 GLU N N 52 117.019 121.415 -4.396 1 1 598 . 9 1 1 A 53 53 PHE H H 53 7.855 8.283 -0.428 1 1 599 . 9 1 1 A 53 53 PHE HA H 53 4.371 4.009 0.362 1 1 607 . 9 1 1 A 53 53 PHE C C 53 175.783 176.815 -1.032 1 1 608 . 9 1 1 A 53 53 PHE CA C 53 58.785 62.012 -3.227 1 1 609 . 9 1 1 A 53 53 PHE CB C 53 37.747 39.269 -1.522 1 1 615 . 9 1 1 A 53 53 PHE N N 53 119.462 121.289 -1.827 1 1 616 . 9 1 1 A 54 54 ASN H H 54 7.744 8.062 -0.318 1 1 617 . 9 1 1 A 54 54 ASN HA H 54 4.948 4.803 0.145 1 1 622 . 9 1 1 A 54 54 ASN C C 54 173.922 173.380 0.542 1 1 623 . 9 1 1 A 54 54 ASN CA C 54 52.102 52.357 -0.255 1 1 624 . 9 1 1 A 54 54 ASN CB C 54 38.637 36.685 1.952 1 1 625 . 9 1 1 A 54 54 ASN N N 54 120.451 116.527 3.924 1 1 627 . 9 1 1 A 55 55 SER H H 55 7.469 7.759 -0.290 1 1 628 . 9 1 1 A 55 55 SER HA H 55 4.710 5.375 -0.665 1 1 631 . 9 1 1 A 55 55 SER C C 55 173.922 172.584 1.338 1 1 632 . 9 1 1 A 55 55 SER CA C 55 57.883 57.433 0.450 1 1 633 . 9 1 1 A 55 55 SER CB C 55 66.064 66.910 -0.846 1 1 634 . 9 1 1 A 55 55 SER N N 55 113.429 118.559 -5.130 1 1 635 . 9 1 1 A 56 56 SER H H 56 8.458 8.129 0.329 1 1 636 . 9 1 1 A 56 56 SER HA H 56 4.632 5.065 -0.433 1 1 639 . 9 1 1 A 56 56 SER C C 56 171.119 172.963 -1.844 1 1 640 . 9 1 1 A 56 56 SER CA C 56 57.866 57.254 0.612 1 1 641 . 9 1 1 A 56 56 SER CB C 56 65.164 64.974 0.190 1 1 642 . 9 1 1 A 56 56 SER N N 56 116.653 117.837 -1.184 1 1 643 . 9 1 1 A 57 57 MET H H 57 8.355 8.870 -0.515 1 1 644 . 9 1 1 A 57 57 MET HA H 57 5.776 5.562 0.214 1 1 652 . 9 1 1 A 57 57 MET C C 57 175.771 175.812 -0.041 1 1 653 . 9 1 1 A 57 57 MET CA C 57 53.913 53.650 0.263 1 1 654 . 9 1 1 A 57 57 MET CB C 57 36.115 34.071 2.044 1 1 657 . 9 1 1 A 57 57 MET N N 57 119.463 125.079 -5.616 1 1 658 . 9 1 1 A 58 58 ALA H H 58 9.547 8.679 0.868 1 1 659 . 9 1 1 A 58 58 ALA HA H 58 4.890 5.320 -0.430 1 1 663 . 9 1 1 A 58 58 ALA C C 58 175.328 175.832 -0.504 1 1 664 . 9 1 1 A 58 58 ALA CA C 58 50.829 50.867 -0.038 1 1 665 . 9 1 1 A 58 58 ALA CB C 58 22.649 22.745 -0.096 1 1 666 . 9 1 1 A 58 58 ALA N N 58 127.410 123.267 4.143 1 1 667 . 9 1 1 A 59 59 ARG H H 59 8.776 8.691 0.085 1 1 668 . 9 1 1 A 59 59 ARG HA H 59 5.567 4.964 0.603 1 1 675 . 9 1 1 A 59 59 ARG C C 59 176.336 175.422 0.914 1 1 676 . 9 1 1 A 59 59 ARG CA C 59 54.843 55.593 -0.750 1 1 677 . 9 1 1 A 59 59 ARG CB C 59 33.691 32.342 1.349 1 1 680 . 9 1 1 A 59 59 ARG N N 59 119.945 123.550 -3.605 1 1 681 . 9 1 1 A 60 60 SER H H 60 8.919 8.256 0.663 1 1 682 . 9 1 1 A 60 60 SER HA H 60 5.011 5.252 -0.241 1 1 685 . 9 1 1 A 60 60 SER C C 60 174.614 173.389 1.225 1 1 686 . 9 1 1 A 60 60 SER CA C 60 56.752 56.822 -0.070 1 1 687 . 9 1 1 A 60 60 SER CB C 60 66.198 65.776 0.422 1 1 688 . 9 1 1 A 60 60 SER N N 60 115.274 115.457 -0.183 1 1 689 . 9 1 1 A 61 61 GLN H H 61 9.367 8.804 0.563 1 1 690 . 9 1 1 A 61 61 GLN HA H 61 4.556 4.615 -0.059 1 1 697 . 9 1 1 A 61 61 GLN C C 61 175.391 175.152 0.239 1 1 698 . 9 1 1 A 61 61 GLN CA C 61 57.664 56.493 1.171 1 1 699 . 9 1 1 A 61 61 GLN CB C 61 29.763 29.219 0.544 1 1 701 . 9 1 1 A 61 61 GLN N N 61 124.808 123.645 1.163 1 1 703 . 9 1 1 A 62 62 THR H H 62 8.075 7.183 0.892 1 1 704 . 9 1 1 A 62 62 THR HA H 62 4.918 4.572 0.346 1 1 709 . 9 1 1 A 62 62 THR C C 62 173.106 173.042 0.064 1 1 710 . 9 1 1 A 62 62 THR CA C 62 59.369 60.429 -1.060 1 1 711 . 9 1 1 A 62 62 THR CB C 62 70.607 69.681 0.926 1 1 713 . 9 1 1 A 62 62 THR N N 62 110.260 114.316 -4.056 1 1 714 . 9 1 1 A 63 63 ASN H H 63 8.575 8.347 0.228 1 1 715 . 9 1 1 A 63 63 ASN HA H 63 3.457 3.952 -0.495 1 1 720 . 9 1 1 A 63 63 ASN C C 63 172.343 173.438 -1.095 1 1 721 . 9 1 1 A 63 63 ASN CA C 63 53.270 52.800 0.470 1 1 722 . 9 1 1 A 63 63 ASN CB C 63 34.441 38.313 -3.872 1 1 723 . 9 1 1 A 63 63 ASN N N 63 119.090 120.955 -1.865 1 1 725 . 9 1 1 A 64 64 THR H H 64 6.850 7.216 -0.366 1 1 726 . 9 1 1 A 64 64 THR HA H 64 4.296 4.078 0.218 1 1 731 . 9 1 1 A 64 64 THR C C 64 172.238 172.269 -0.031 1 1 732 . 9 1 1 A 64 64 THR CA C 64 60.501 60.196 0.305 1 1 733 . 9 1 1 A 64 64 THR CB C 64 71.252 71.087 0.165 1 1 735 . 9 1 1 A 64 64 THR N N 64 111.612 114.005 -2.393 1 1 736 . 9 1 1 A 65 65 ALA H H 65 8.619 8.760 -0.141 1 1 737 . 9 1 1 A 65 65 ALA HA H 65 4.595 5.031 -0.436 1 1 741 . 9 1 1 A 65 65 ALA C C 65 174.046 174.632 -0.586 1 1 742 . 9 1 1 A 65 65 ALA CA C 65 52.102 51.194 0.908 1 1 743 . 9 1 1 A 65 65 ALA CB C 65 22.427 23.125 -0.698 1 1 744 . 9 1 1 A 65 65 ALA N N 65 124.370 130.324 -5.954 1 1 745 . 9 1 1 A 66 66 ARG H H 66 8.533 8.678 -0.145 1 1 746 . 9 1 1 A 66 66 ARG HA H 66 4.973 4.969 0.004 1 1 753 . 9 1 1 A 66 66 ARG C C 66 175.240 174.958 0.282 1 1 754 . 9 1 1 A 66 66 ARG CA C 66 54.560 54.996 -0.436 1 1 755 . 9 1 1 A 66 66 ARG CB C 66 32.088 31.921 0.167 1 1 758 . 9 1 1 A 66 66 ARG N N 66 122.633 122.463 0.170 1 1 759 . 9 1 1 A 67 67 ILE H H 67 8.967 8.898 0.069 1 1 760 . 9 1 1 A 67 67 ILE HA H 67 4.013 4.404 -0.391 1 1 770 . 9 1 1 A 67 67 ILE C C 67 174.026 174.371 -0.345 1 1 771 . 9 1 1 A 67 67 ILE CA C 67 60.377 59.622 0.755 1 1 772 . 9 1 1 A 67 67 ILE CB C 67 38.044 38.177 -0.133 1 1 776 . 9 1 1 A 67 67 ILE N N 67 128.560 126.143 2.417 1 1 777 . 9 1 1 A 68 68 ASP H H 68 8.117 8.546 -0.429 1 1 778 . 9 1 1 A 68 68 ASP HA H 68 5.060 5.333 -0.273 1 1 781 . 9 1 1 A 68 68 ASP C C 68 175.792 175.692 0.100 1 1 782 . 9 1 1 A 68 68 ASP CA C 68 52.474 52.170 0.304 1 1 783 . 9 1 1 A 68 68 ASP CB C 68 44.116 44.178 -0.062 1 1 784 . 9 1 1 A 68 68 ASP N N 68 125.243 124.961 0.282 1 1 785 . 9 1 1 A 69 69 GLY H H 69 8.568 8.489 0.079 1 1 786 . 9 1 1 A 69 69 GLY HA2 H 69 3.951 3.929 0.022 1 1 787 . 9 1 1 A 69 69 GLY HA3 H 69 3.830 3.938 -0.108 1 1 788 . 9 1 1 A 69 69 GLY C C 69 175.359 173.831 1.528 1 1 789 . 9 1 1 A 69 69 GLY CA C 69 46.356 45.959 0.397 1 1 790 . 9 1 1 A 69 69 GLY N N 69 105.736 110.898 -5.162 1 1 791 . 9 1 1 A 70 70 LEU H H 70 7.982 7.292 0.690 1 1 792 . 9 1 1 A 70 70 LEU HA H 70 4.356 4.802 -0.446 1 1 802 . 9 1 1 A 70 70 LEU C C 70 175.151 175.511 -0.360 1 1 803 . 9 1 1 A 70 70 LEU CA C 70 53.110 52.931 0.179 1 1 804 . 9 1 1 A 70 70 LEU CB C 70 40.992 44.685 -3.693 1 1 808 . 9 1 1 A 70 70 LEU N N 70 118.817 120.114 -1.297 1 1 809 . 9 1 1 A 71 71 ARG H H 71 8.148 8.717 -0.569 1 1 810 . 9 1 1 A 71 71 ARG HA H 71 4.922 4.837 0.085 1 1 817 . 9 1 1 A 71 71 ARG C C 71 174.419 173.877 0.542 1 1 818 . 9 1 1 A 71 71 ARG CA C 71 53.534 52.852 0.682 1 1 819 . 9 1 1 A 71 71 ARG CB C 71 32.001 31.363 0.638 1 1 822 . 9 1 1 A 71 71 ARG N N 71 118.182 120.465 -2.283 1 1 823 . 9 1 1 A 72 72 PRO HA H 72 5.168 4.545 0.623 1 1 830 . 9 1 1 A 72 72 PRO C C 72 178.121 177.645 0.476 1 1 831 . 9 1 1 A 72 72 PRO CA C 72 63.416 63.649 -0.233 1 1 832 . 9 1 1 A 72 72 PRO CB C 72 32.908 31.445 1.463 1 1 835 . 9 1 1 A 73 73 GLY H H 73 7.705 8.819 -1.114 1 1 836 . 9 1 1 A 73 73 GLY HA2 H 73 3.856 3.964 -0.108 1 1 837 . 9 1 1 A 73 73 GLY HA3 H 73 3.508 3.972 -0.464 1 1 838 . 9 1 1 A 73 73 GLY C C 73 173.685 173.906 -0.221 1 1 839 . 9 1 1 A 73 73 GLY CA C 73 46.731 46.616 0.115 1 1 840 . 9 1 1 A 73 73 GLY N N 73 112.669 112.013 0.656 1 1 841 . 9 1 1 A 74 74 MET H H 74 7.511 7.415 0.096 1 1 842 . 9 1 1 A 74 74 MET HA H 74 4.742 5.059 -0.317 1 1 850 . 9 1 1 A 74 74 MET C C 74 173.525 174.235 -0.710 1 1 851 . 9 1 1 A 74 74 MET CA C 74 53.216 54.229 -1.013 1 1 852 . 9 1 1 A 74 74 MET CB C 74 33.610 37.906 -4.296 1 1 855 . 9 1 1 A 74 74 MET N N 74 119.820 118.341 1.479 1 1 856 . 9 1 1 A 75 75 VAL H H 75 7.651 8.378 -0.727 1 1 857 . 9 1 1 A 75 75 VAL HA H 75 4.361 4.831 -0.470 1 1 865 . 9 1 1 A 75 75 VAL C C 75 174.677 174.759 -0.082 1 1 866 . 9 1 1 A 75 75 VAL CA C 75 61.581 61.300 0.281 1 1 867 . 9 1 1 A 75 75 VAL CB C 75 32.345 33.258 -0.913 1 1 870 . 9 1 1 A 75 75 VAL N N 75 121.287 121.478 -0.191 1 1 871 . 9 1 1 A 76 76 TYR H H 76 9.405 8.806 0.599 1 1 872 . 9 1 1 A 76 76 TYR HA H 76 4.743 5.078 -0.335 1 1 879 . 9 1 1 A 76 76 TYR C C 76 174.740 175.067 -0.327 1 1 880 . 9 1 1 A 76 76 TYR CA C 76 57.424 56.675 0.749 1 1 881 . 9 1 1 A 76 76 TYR CB C 76 41.151 41.676 -0.525 1 1 886 . 9 1 1 A 76 76 TYR N N 76 126.231 125.803 0.428 1 1 887 . 9 1 1 A 77 77 VAL H H 77 8.867 8.537 0.330 1 1 888 . 9 1 1 A 77 77 VAL HA H 77 4.318 4.508 -0.190 1 1 896 . 9 1 1 A 77 77 VAL C C 77 175.773 175.059 0.714 1 1 897 . 9 1 1 A 77 77 VAL CA C 77 61.473 62.651 -1.178 1 1 898 . 9 1 1 A 77 77 VAL CB C 77 31.218 30.894 0.324 1 1 901 . 9 1 1 A 77 77 VAL N N 77 123.699 124.440 -0.741 1 1 902 . 9 1 1 A 78 78 VAL H H 78 8.683 8.702 -0.019 1 1 903 . 9 1 1 A 78 78 VAL HA H 78 4.995 4.933 0.062 1 1 911 . 9 1 1 A 78 78 VAL C C 78 175.275 174.922 0.353 1 1 912 . 9 1 1 A 78 78 VAL CA C 78 60.942 60.853 0.089 1 1 913 . 9 1 1 A 78 78 VAL CB C 78 34.790 33.892 0.898 1 1 916 . 9 1 1 A 78 78 VAL N N 78 124.155 128.775 -4.620 1 1 917 . 9 1 1 A 79 79 GLN H H 79 8.613 8.175 0.438 1 1 918 . 9 1 1 A 79 79 GLN HA H 79 4.511 4.981 -0.470 1 1 925 . 9 1 1 A 79 79 GLN C C 79 173.361 174.200 -0.839 1 1 926 . 9 1 1 A 79 79 GLN CA C 79 54.666 53.855 0.811 1 1 927 . 9 1 1 A 79 79 GLN CB C 79 36.751 32.989 3.762 1 1 929 . 9 1 1 A 79 79 GLN N N 79 121.693 124.739 -3.046 1 1 931 . 9 1 1 A 80 80 VAL H H 80 9.019 8.795 0.224 1 1 932 . 9 1 1 A 80 80 VAL HA H 80 5.801 5.007 0.794 1 1 940 . 9 1 1 A 80 80 VAL C C 80 174.526 173.789 0.737 1 1 941 . 9 1 1 A 80 80 VAL CA C 80 58.750 59.825 -1.075 1 1 942 . 9 1 1 A 80 80 VAL CB C 80 35.479 34.391 1.088 1 1 945 . 9 1 1 A 80 80 VAL N N 80 118.559 119.941 -1.382 1 1 946 . 9 1 1 A 81 81 ARG H H 81 9.199 8.582 0.617 1 1 947 . 9 1 1 A 81 81 ARG HA H 81 4.951 5.031 -0.080 1 1 955 . 9 1 1 A 81 81 ARG C C 81 172.660 174.367 -1.707 1 1 956 . 9 1 1 A 81 81 ARG CA C 81 54.295 53.543 0.752 1 1 957 . 9 1 1 A 81 81 ARG CB C 81 33.750 33.712 0.038 1 1 960 . 9 1 1 A 81 81 ARG N N 81 125.225 126.259 -1.034 1 1 962 . 9 1 1 A 82 82 ALA H H 82 8.762 8.745 0.017 1 1 963 . 9 1 1 A 82 82 ALA HA H 82 4.820 5.265 -0.445 1 1 967 . 9 1 1 A 82 82 ALA C C 82 174.783 175.450 -0.667 1 1 968 . 9 1 1 A 82 82 ALA CA C 82 50.741 50.194 0.547 1 1 969 . 9 1 1 A 82 82 ALA CB C 82 22.383 21.098 1.285 1 1 970 . 9 1 1 A 82 82 ALA N N 82 124.292 123.019 1.273 1 1 971 . 9 1 1 A 83 83 ARG H H 83 8.336 8.291 0.045 1 1 972 . 9 1 1 A 83 83 ARG HA H 83 4.737 4.995 -0.258 1 1 980 . 9 1 1 A 83 83 ARG C C 83 175.290 174.858 0.432 1 1 981 . 9 1 1 A 83 83 ARG CA C 83 55.727 54.037 1.690 1 1 982 . 9 1 1 A 83 83 ARG CB C 83 34.562 33.532 1.030 1 1 985 . 9 1 1 A 83 83 ARG N N 83 121.023 123.778 -2.755 1 1 987 . 9 1 1 A 84 84 THR H H 84 8.485 8.313 0.172 1 1 988 . 9 1 1 A 84 84 THR HA H 84 4.875 4.734 0.141 1 1 993 . 9 1 1 A 84 84 THR C C 84 176.218 174.868 1.350 1 1 994 . 9 1 1 A 84 84 THR CA C 84 59.475 59.214 0.261 1 1 995 . 9 1 1 A 84 84 THR CB C 84 72.440 72.311 0.129 1 1 997 . 9 1 1 A 84 84 THR N N 84 116.374 116.029 0.345 1 1 998 . 9 1 1 A 85 85 VAL H H 85 9.283 8.700 0.583 1 1 999 . 9 1 1 A 85 85 VAL HA H 85 3.794 3.847 -0.053 1 1 1007 . 9 1 1 A 85 85 VAL C C 85 175.930 177.087 -1.157 1 1 1008 . 9 1 1 A 85 85 VAL CA C 85 64.934 64.534 0.400 1 1 1009 . 9 1 1 A 85 85 VAL CB C 85 31.621 31.677 -0.056 1 1 1012 . 9 1 1 A 85 85 VAL N N 85 119.099 121.880 -2.781 1 1 1013 . 9 1 1 A 86 86 ALA H H 86 7.840 7.479 0.361 1 1 1014 . 9 1 1 A 86 86 ALA HA H 86 4.242 4.209 0.033 1 1 1018 . 9 1 1 A 86 86 ALA C C 86 177.467 177.498 -0.031 1 1 1019 . 9 1 1 A 86 86 ALA CA C 86 52.774 54.078 -1.304 1 1 1020 . 9 1 1 A 86 86 ALA CB C 86 19.733 19.829 -0.096 1 1 1021 . 9 1 1 A 86 86 ALA N N 86 121.263 122.643 -1.380 1 1 1022 . 9 1 1 A 87 87 GLY H H 87 7.365 7.299 0.066 1 1 1023 . 9 1 1 A 87 87 GLY HA2 H 87 4.402 4.031 0.371 1 1 1024 . 9 1 1 A 87 87 GLY HA3 H 87 3.588 4.086 -0.498 1 1 1025 . 9 1 1 A 87 87 GLY C C 87 171.960 171.006 0.954 1 1 1026 . 9 1 1 A 87 87 GLY CA C 87 44.170 46.166 -1.996 1 1 1027 . 9 1 1 A 87 87 GLY N N 87 105.736 102.024 3.712 1 1 1028 . 9 1 1 A 88 88 TYR H H 88 8.444 8.503 -0.059 1 1 1029 . 9 1 1 A 88 88 TYR HA H 88 5.063 5.215 -0.152 1 1 1036 . 9 1 1 A 88 88 TYR C C 88 179.239 175.355 3.884 1 1 1037 . 9 1 1 A 88 88 TYR CA C 88 58.308 55.528 2.780 1 1 1038 . 9 1 1 A 88 88 TYR CB C 88 41.442 41.899 -0.457 1 1 1043 . 9 1 1 A 88 88 TYR N N 88 116.996 120.653 -3.657 1 1 1044 . 9 1 1 A 89 89 GLY H H 89 8.676 8.480 0.196 1 1 1045 . 9 1 1 A 89 89 GLY HA2 H 89 4.324 4.173 0.151 1 1 1046 . 9 1 1 A 89 89 GLY HA3 H 89 3.973 4.193 -0.220 1 1 1047 . 9 1 1 A 89 89 GLY C C 89 173.844 172.929 0.915 1 1 1048 . 9 1 1 A 89 89 GLY CA C 89 43.916 44.341 -0.425 1 1 1049 . 9 1 1 A 89 89 GLY N N 89 107.850 110.892 -3.042 1 1 1050 . 9 1 1 A 90 90 LYS H H 90 8.711 8.301 0.410 1 1 1051 . 9 1 1 A 90 90 LYS HA H 90 4.166 4.220 -0.054 1 1 1060 . 9 1 1 A 90 90 LYS C C 90 177.819 176.506 1.313 1 1 1061 . 9 1 1 A 90 90 LYS CA C 90 56.162 56.055 0.107 1 1 1062 . 9 1 1 A 90 90 LYS CB C 90 32.730 33.475 -0.745 1 1 1066 . 9 1 1 A 90 90 LYS N N 90 119.382 119.640 -0.258 1 1 1067 . 9 1 1 A 91 91 PHE H H 91 8.698 8.776 -0.078 1 1 1068 . 9 1 1 A 91 91 PHE HA H 91 4.241 4.784 -0.543 1 1 1076 . 9 1 1 A 91 91 PHE C C 91 176.805 176.101 0.704 1 1 1077 . 9 1 1 A 91 91 PHE CA C 91 61.027 57.862 3.165 1 1 1078 . 9 1 1 A 91 91 PHE CB C 91 39.995 40.242 -0.247 1 1 1084 . 9 1 1 A 91 91 PHE N N 91 120.691 120.296 0.395 1 1 1085 . 9 1 1 A 92 92 SER H H 92 8.311 8.731 -0.420 1 1 1086 . 9 1 1 A 92 92 SER HA H 92 4.259 4.616 -0.357 1 1 1089 . 9 1 1 A 92 92 SER C C 92 173.499 174.841 -1.342 1 1 1090 . 9 1 1 A 92 92 SER CA C 92 58.146 57.920 0.226 1 1 1091 . 9 1 1 A 92 92 SER CB C 92 65.329 65.414 -0.085 1 1 1092 . 9 1 1 A 92 92 SER N N 92 115.098 116.710 -1.612 1 1 1093 . 9 1 1 A 93 93 GLY H H 93 8.869 8.580 0.289 1 1 1094 . 9 1 1 A 93 93 GLY HA2 H 93 4.071 3.983 0.088 1 1 1095 . 9 1 1 A 93 93 GLY HA3 H 93 3.780 3.994 -0.214 1 1 1096 . 9 1 1 A 93 93 GLY C C 93 174.375 173.937 0.438 1 1 1097 . 9 1 1 A 93 93 GLY CA C 93 45.331 45.819 -0.488 1 1 1098 . 9 1 1 A 93 93 GLY N N 93 106.252 108.015 -1.763 1 1 1099 . 9 1 1 A 94 94 LYS H H 94 8.619 8.369 0.250 1 1 1100 . 9 1 1 A 94 94 LYS HA H 94 3.633 4.079 -0.446 1 1 1109 . 9 1 1 A 94 94 LYS C C 94 176.004 176.042 -0.038 1 1 1110 . 9 1 1 A 94 94 LYS CA C 94 59.068 56.980 2.088 1 1 1111 . 9 1 1 A 94 94 LYS CB C 94 33.072 32.275 0.797 1 1 1115 . 9 1 1 A 94 94 LYS N N 94 122.645 124.623 -1.978 1 1 1116 . 9 1 1 A 95 95 MET H H 95 7.547 8.788 -1.241 1 1 1117 . 9 1 1 A 95 95 MET HA H 95 4.520 5.084 -0.564 1 1 1125 . 9 1 1 A 95 95 MET C C 95 173.400 174.379 -0.979 1 1 1126 . 9 1 1 A 95 95 MET CA C 95 54.701 53.826 0.875 1 1 1127 . 9 1 1 A 95 95 MET CB C 95 37.784 35.532 2.252 1 1 1130 . 9 1 1 A 95 95 MET N N 95 122.392 123.868 -1.476 1 1 1131 . 9 1 1 A 96 96 CYS H H 96 7.888 8.714 -0.826 1 1 1132 . 9 1 1 A 96 96 CYS HA H 96 5.465 5.163 0.302 1 1 1135 . 9 1 1 A 96 96 CYS C C 96 173.757 172.849 0.908 1 1 1136 . 9 1 1 A 96 96 CYS CA C 96 57.353 57.315 0.038 1 1 1137 . 9 1 1 A 96 96 CYS CB C 96 29.941 29.266 0.675 1 1 1138 . 9 1 1 A 96 96 CYS N N 96 117.124 121.525 -4.401 1 1 1139 . 9 1 1 A 97 97 PHE H H 97 9.133 9.258 -0.125 1 1 1140 . 9 1 1 A 97 97 PHE HA H 97 4.879 5.155 -0.276 1 1 1148 . 9 1 1 A 97 97 PHE C C 97 173.309 175.760 -2.451 1 1 1149 . 9 1 1 A 97 97 PHE CA C 97 56.983 56.429 0.554 1 1 1150 . 9 1 1 A 97 97 PHE CB C 97 44.074 40.946 3.128 1 1 1156 . 9 1 1 A 97 97 PHE N N 97 121.239 124.316 -3.077 1 1 1157 . 9 1 1 A 98 98 GLN H H 98 8.884 8.869 0.015 1 1 1158 . 9 1 1 A 98 98 GLN HA H 98 5.809 5.222 0.587 1 1 1165 . 9 1 1 A 98 98 GLN C C 98 176.454 175.884 0.570 1 1 1166 . 9 1 1 A 98 98 GLN CA C 98 54.125 54.770 -0.645 1 1 1167 . 9 1 1 A 98 98 GLN CB C 98 33.444 30.165 3.279 1 1 1169 . 9 1 1 A 98 98 GLN N N 98 120.699 122.953 -2.254 1 1 1171 . 9 1 1 A 99 99 THR H H 99 8.176 8.313 -0.137 1 1 1172 . 9 1 1 A 99 99 THR HA H 99 4.324 4.639 -0.315 1 1 1177 . 9 1 1 A 99 99 THR C C 99 175.929 174.296 1.633 1 1 1178 . 9 1 1 A 99 99 THR CA C 99 60.341 61.314 -0.973 1 1 1179 . 9 1 1 A 99 99 THR CB C 99 70.070 71.661 -1.591 1 1 1181 . 9 1 1 A 99 99 THR N N 99 112.214 112.992 -0.778 1 1 1182 . 9 1 1 A 100 100 LEU H H 100 7.368 8.260 -0.892 1 1 1183 . 9 1 1 A 100 100 LEU HA H 100 4.310 4.547 -0.237 1 1 1193 . 9 1 1 A 100 100 LEU C C 100 177.359 176.436 0.923 1 1 1194 . 9 1 1 A 100 100 LEU CA C 100 54.790 54.814 -0.024 1 1 1195 . 9 1 1 A 100 100 LEU CB C 100 42.096 42.514 -0.418 1 1 1199 . 9 1 1 A 100 100 LEU N N 100 117.018 122.493 -5.475 1 1 1200 . 9 1 1 A 101 101 THR H H 101 7.997 8.439 -0.442 1 1 1201 . 9 1 1 A 101 101 THR HA H 101 4.123 5.035 -0.912 1 1 1206 . 9 1 1 A 101 101 THR C C 101 174.014 172.447 1.567 1 1 1207 . 9 1 1 A 101 101 THR CA C 101 61.968 60.629 1.339 1 1 1208 . 9 1 1 A 101 101 THR CB C 101 70.172 70.019 0.153 1 1 1210 . 9 1 1 A 101 101 THR N N 101 110.428 116.128 -5.700 1 1 1211 . 9 1 1 A 102 102 ASP H H 102 8.320 8.997 -0.677 1 1 1212 . 9 1 1 A 102 102 ASP HA H 102 4.853 4.808 0.045 1 1 1215 . 9 1 1 A 102 102 ASP C C 102 176.204 176.474 -0.270 1 1 1216 . 9 1 1 A 102 102 ASP CA C 102 53.694 52.840 0.854 1 1 1217 . 9 1 1 A 102 102 ASP CB C 102 41.808 40.161 1.647 1 1 1218 . 9 1 1 A 102 102 ASP N N 102 120.693 127.928 -7.235 1 1 1219 . 9 1 1 A 103 103 SER H H 103 8.294 8.427 -0.133 1 1 1220 . 9 1 1 A 103 103 SER HA H 103 4.486 4.648 -0.162 1 1 1223 . 9 1 1 A 103 103 SER C C 103 174.875 174.111 0.764 1 1 1224 . 9 1 1 A 103 103 SER CA C 103 58.361 59.522 -1.161 1 1 1225 . 9 1 1 A 103 103 SER CB C 103 63.942 65.295 -1.353 1 1 1226 . 9 1 1 A 103 103 SER N N 103 117.442 116.368 1.074 1 1 1227 . 9 1 1 A 104 104 GLY H H 104 8.393 7.419 0.974 1 1 1228 . 9 1 1 A 104 104 GLY HA2 H 104 4.104 4.323 -0.219 1 1 1229 . 9 1 1 A 104 104 GLY HA3 H 104 4.104 4.323 -0.219 1 1 1230 . 9 1 1 A 104 104 GLY C C 104 172.016 171.692 0.324 1 1 1231 . 9 1 1 A 104 104 GLY CA C 104 44.800 45.659 -0.859 1 1 1232 . 9 1 1 A 104 104 GLY N N 104 111.065 106.918 4.147 1 1 1233 . 9 1 1 A 105 105 PRO HA H 105 4.475 4.543 -0.068 1 1 1240 . 9 1 1 A 105 105 PRO C C 105 177.464 175.565 1.899 1 1 1241 . 9 1 1 A 105 105 PRO CA C 105 63.329 62.744 0.585 1 1 1242 . 9 1 1 A 105 105 PRO CB C 105 32.249 32.699 -0.450 1 1 1245 . 9 1 1 A 106 106 SER H H 106 8.514 8.593 -0.079 1 1 1246 . 9 1 1 A 106 106 SER HA H 106 4.512 5.073 -0.561 1 1 1249 . 9 1 1 A 106 106 SER C C 106 174.735 173.165 1.570 1 1 1250 . 9 1 1 A 106 106 SER CA C 106 58.361 57.758 0.603 1 1 1251 . 9 1 1 A 106 106 SER CB C 106 63.820 65.808 -1.988 1 1 1252 . 9 1 1 A 106 106 SER N N 106 116.429 117.674 -1.245 1 1 1253 . 9 1 1 A 107 107 SER H H 107 8.329 8.699 -0.370 1 1 1254 . 9 1 1 A 107 107 SER HA H 107 4.512 4.995 -0.483 1 1 1257 . 9 1 1 A 107 107 SER C C 107 174.004 174.622 -0.618 1 1 1258 . 9 1 1 A 107 107 SER CA C 107 58.414 56.916 1.498 1 1 1259 . 9 1 1 A 107 107 SER CB C 107 64.014 66.468 -2.454 1 1 1260 . 9 1 1 A 107 107 SER N N 107 117.919 118.189 -0.270 1 1 1 . 10 1 1 A 6 6 SER HA H 6 4.523 4.343 0.180 1 1 3 . 10 1 1 A 6 6 SER CA C 6 58.535 58.759 -0.224 1 1 4 . 10 1 1 A 6 6 SER CB C 6 64.106 63.381 0.725 1 1 5 . 10 1 1 A 7 7 GLY H H 7 8.202 8.656 -0.454 1 1 6 . 10 1 1 A 7 7 GLY HA2 H 7 3.881 4.180 -0.299 1 1 7 . 10 1 1 A 7 7 GLY HA3 H 7 3.740 4.181 -0.441 1 1 8 . 10 1 1 A 7 7 GLY CA C 7 44.322 44.105 0.217 1 1 9 . 10 1 1 A 7 7 GLY N N 7 109.573 110.955 -1.382 1 1 10 . 10 1 1 A 8 8 PRO HA H 8 4.641 4.486 0.155 1 1 17 . 10 1 1 A 8 8 PRO C C 8 176.480 176.434 0.046 1 1 18 . 10 1 1 A 8 8 PRO CA C 8 62.582 62.664 -0.082 1 1 19 . 10 1 1 A 8 8 PRO CB C 8 32.331 31.977 0.354 1 1 22 . 10 1 1 A 9 9 SER H H 9 8.061 8.540 -0.479 1 1 23 . 10 1 1 A 9 9 SER HA H 9 4.374 4.583 -0.209 1 1 26 . 10 1 1 A 9 9 SER C C 9 173.090 173.485 -0.395 1 1 27 . 10 1 1 A 9 9 SER CA C 9 58.754 58.610 0.144 1 1 28 . 10 1 1 A 9 9 SER CB C 9 63.667 63.843 -0.176 1 1 29 . 10 1 1 A 9 9 SER N N 9 115.137 116.960 -1.823 1 1 30 . 10 1 1 A 10 10 THR H H 10 8.359 8.701 -0.342 1 1 31 . 10 1 1 A 10 10 THR HA H 10 4.027 5.048 -1.021 1 1 36 . 10 1 1 A 10 10 THR C C 10 175.380 173.755 1.625 1 1 37 . 10 1 1 A 10 10 THR CA C 10 62.781 59.678 3.103 1 1 38 . 10 1 1 A 10 10 THR CB C 10 69.617 71.957 -2.340 1 1 40 . 10 1 1 A 10 10 THR N N 10 115.079 119.211 -4.132 1 1 41 . 10 1 1 A 11 11 VAL H H 11 9.280 8.455 0.825 1 1 42 . 10 1 1 A 11 11 VAL HA H 11 4.097 4.105 -0.008 1 1 50 . 10 1 1 A 11 11 VAL C C 11 175.706 176.399 -0.693 1 1 51 . 10 1 1 A 11 11 VAL CA C 11 61.518 61.441 0.077 1 1 52 . 10 1 1 A 11 11 VAL CB C 11 33.174 32.006 1.168 1 1 55 . 10 1 1 A 11 11 VAL N N 11 131.182 125.493 5.689 1 1 56 . 10 1 1 A 12 12 PRO HA H 12 4.415 4.488 -0.073 1 1 63 . 10 1 1 A 12 12 PRO C C 12 175.612 176.346 -0.734 1 1 64 . 10 1 1 A 12 12 PRO CA C 12 64.850 64.737 0.113 1 1 65 . 10 1 1 A 12 12 PRO CB C 12 32.578 32.286 0.292 1 1 68 . 10 1 1 A 13 13 ILE H H 13 7.251 7.534 -0.283 1 1 69 . 10 1 1 A 13 13 ILE HA H 13 4.439 4.618 -0.179 1 1 79 . 10 1 1 A 13 13 ILE C C 13 170.969 173.024 -2.055 1 1 80 . 10 1 1 A 13 13 ILE CA C 13 59.973 59.370 0.603 1 1 81 . 10 1 1 A 13 13 ILE CB C 13 40.776 41.808 -1.032 1 1 85 . 10 1 1 A 13 13 ILE N N 13 115.827 115.921 -0.094 1 1 86 . 10 1 1 A 14 14 MET H H 14 6.827 8.599 -1.772 1 1 87 . 10 1 1 A 14 14 MET HA H 14 4.961 5.221 -0.260 1 1 95 . 10 1 1 A 14 14 MET C C 14 173.380 175.204 -1.824 1 1 96 . 10 1 1 A 14 14 MET CA C 14 55.214 53.888 1.326 1 1 97 . 10 1 1 A 14 14 MET CB C 14 38.223 35.098 3.125 1 1 100 . 10 1 1 A 14 14 MET N N 14 116.754 126.090 -9.336 1 1 101 . 10 1 1 A 15 15 HIS H H 15 9.417 8.879 0.538 1 1 102 . 10 1 1 A 15 15 HIS HA H 15 4.958 5.099 -0.141 1 1 107 . 10 1 1 A 15 15 HIS C C 15 173.901 173.804 0.097 1 1 108 . 10 1 1 A 15 15 HIS CA C 15 55.190 54.584 0.606 1 1 109 . 10 1 1 A 15 15 HIS CB C 15 33.361 33.178 0.183 1 1 112 . 10 1 1 A 15 15 HIS N N 15 118.539 118.529 0.010 1 1 113 . 10 1 1 A 16 16 GLN H H 16 9.164 8.886 0.278 1 1 114 . 10 1 1 A 16 16 GLN HA H 16 4.385 4.452 -0.067 1 1 121 . 10 1 1 A 16 16 GLN C C 16 175.463 175.183 0.280 1 1 122 . 10 1 1 A 16 16 GLN CA C 16 55.992 55.408 0.584 1 1 123 . 10 1 1 A 16 16 GLN CB C 16 29.159 30.333 -1.174 1 1 125 . 10 1 1 A 16 16 GLN N N 16 123.267 124.670 -1.403 1 1 127 . 10 1 1 A 17 17 VAL H H 17 8.983 8.992 -0.009 1 1 128 . 10 1 1 A 17 17 VAL HA H 17 3.910 4.126 -0.216 1 1 136 . 10 1 1 A 17 17 VAL C C 17 176.328 175.672 0.656 1 1 137 . 10 1 1 A 17 17 VAL CA C 17 63.807 63.484 0.323 1 1 138 . 10 1 1 A 17 17 VAL CB C 17 33.088 32.910 0.178 1 1 141 . 10 1 1 A 17 17 VAL N N 17 128.880 127.394 1.486 1 1 142 . 10 1 1 A 18 18 SER H H 18 7.740 7.564 0.176 1 1 143 . 10 1 1 A 18 18 SER HA H 18 4.589 4.619 -0.030 1 1 146 . 10 1 1 A 18 18 SER C C 18 171.965 172.205 -0.240 1 1 147 . 10 1 1 A 18 18 SER CA C 18 57.441 56.775 0.666 1 1 148 . 10 1 1 A 18 18 SER CB C 18 64.058 64.786 -0.728 1 1 149 . 10 1 1 A 18 18 SER N N 18 110.447 111.451 -1.004 1 1 150 . 10 1 1 A 19 19 ALA H H 19 8.114 8.443 -0.329 1 1 151 . 10 1 1 A 19 19 ALA HA H 19 5.086 4.803 0.283 1 1 155 . 10 1 1 A 19 19 ALA C C 19 176.404 176.122 0.282 1 1 156 . 10 1 1 A 19 19 ALA CA C 19 52.453 51.634 0.819 1 1 157 . 10 1 1 A 19 19 ALA CB C 19 23.038 23.041 -0.003 1 1 158 . 10 1 1 A 19 19 ALA N N 19 121.116 124.260 -3.144 1 1 159 . 10 1 1 A 20 20 THR H H 20 8.710 8.329 0.381 1 1 160 . 10 1 1 A 20 20 THR HA H 20 4.787 4.897 -0.110 1 1 165 . 10 1 1 A 20 20 THR C C 20 175.596 174.755 0.841 1 1 166 . 10 1 1 A 20 20 THR CA C 20 60.341 59.971 0.370 1 1 167 . 10 1 1 A 20 20 THR CB C 20 71.307 71.074 0.233 1 1 169 . 10 1 1 A 20 20 THR N N 20 110.762 110.956 -0.194 1 1 170 . 10 1 1 A 21 21 MET H H 21 8.686 8.737 -0.051 1 1 171 . 10 1 1 A 21 21 MET HA H 21 4.618 4.373 0.245 1 1 179 . 10 1 1 A 21 21 MET C C 21 174.754 176.704 -1.950 1 1 180 . 10 1 1 A 21 21 MET CA C 21 59.272 57.297 1.975 1 1 181 . 10 1 1 A 21 21 MET CB C 21 34.488 32.699 1.789 1 1 184 . 10 1 1 A 21 21 MET N N 21 118.478 120.051 -1.573 1 1 185 . 10 1 1 A 22 22 ARG H H 22 7.296 7.492 -0.196 1 1 186 . 10 1 1 A 22 22 ARG HA H 22 4.453 4.680 -0.227 1 1 193 . 10 1 1 A 22 22 ARG C C 22 174.722 174.918 -0.196 1 1 194 . 10 1 1 A 22 22 ARG CA C 22 54.218 55.288 -1.070 1 1 195 . 10 1 1 A 22 22 ARG CB C 22 32.509 31.367 1.142 1 1 198 . 10 1 1 A 22 22 ARG N N 22 108.176 117.256 -9.080 1 1 199 . 10 1 1 A 23 23 SER H H 23 7.387 7.572 -0.185 1 1 200 . 10 1 1 A 23 23 SER HA H 23 5.353 5.209 0.144 1 1 203 . 10 1 1 A 23 23 SER C C 23 171.910 172.215 -0.305 1 1 204 . 10 1 1 A 23 23 SER CA C 23 57.230 57.358 -0.128 1 1 205 . 10 1 1 A 23 23 SER CB C 23 68.011 66.078 1.933 1 1 206 . 10 1 1 A 23 23 SER N N 23 114.861 112.547 2.314 1 1 207 . 10 1 1 A 24 24 ILE H H 24 8.061 8.311 -0.250 1 1 208 . 10 1 1 A 24 24 ILE HA H 24 4.470 4.706 -0.236 1 1 218 . 10 1 1 A 24 24 ILE C C 24 174.028 174.359 -0.331 1 1 219 . 10 1 1 A 24 24 ILE CA C 24 61.402 60.243 1.159 1 1 220 . 10 1 1 A 24 24 ILE CB C 24 43.249 41.410 1.839 1 1 224 . 10 1 1 A 24 24 ILE N N 24 116.152 120.104 -3.952 1 1 225 . 10 1 1 A 25 25 THR H H 25 8.584 8.875 -0.291 1 1 226 . 10 1 1 A 25 25 THR HA H 25 5.107 4.991 0.116 1 1 231 . 10 1 1 A 25 25 THR C C 25 173.463 173.492 -0.029 1 1 232 . 10 1 1 A 25 25 THR CA C 25 62.127 61.762 0.365 1 1 233 . 10 1 1 A 25 25 THR CB C 25 68.954 70.475 -1.521 1 1 235 . 10 1 1 A 25 25 THR N N 25 122.080 123.547 -1.467 1 1 236 . 10 1 1 A 26 26 LEU H H 26 9.093 8.281 0.812 1 1 237 . 10 1 1 A 26 26 LEU HA H 26 5.427 4.970 0.457 1 1 247 . 10 1 1 A 26 26 LEU C C 26 175.180 175.402 -0.222 1 1 248 . 10 1 1 A 26 26 LEU CA C 26 53.181 53.584 -0.403 1 1 249 . 10 1 1 A 26 26 LEU CB C 26 46.902 46.840 0.062 1 1 253 . 10 1 1 A 26 26 LEU N N 26 128.231 126.353 1.878 1 1 254 . 10 1 1 A 27 27 SER H H 27 9.260 8.916 0.344 1 1 255 . 10 1 1 A 27 27 SER HA H 27 4.757 4.818 -0.061 1 1 258 . 10 1 1 A 27 27 SER C C 27 172.413 172.600 -0.187 1 1 259 . 10 1 1 A 27 27 SER CA C 27 56.912 57.067 -0.155 1 1 260 . 10 1 1 A 27 27 SER CB C 27 66.220 65.462 0.758 1 1 261 . 10 1 1 A 27 27 SER N N 27 115.325 115.363 -0.038 1 1 262 . 10 1 1 A 28 28 TRP H H 28 7.430 7.985 -0.555 1 1 263 . 10 1 1 A 28 28 TRP HA H 28 5.212 5.303 -0.091 1 1 272 . 10 1 1 A 28 28 TRP C C 28 171.555 173.423 -1.868 1 1 273 . 10 1 1 A 28 28 TRP CA C 28 55.143 55.092 0.051 1 1 274 . 10 1 1 A 28 28 TRP CB C 28 28.918 31.214 -2.296 1 1 280 . 10 1 1 A 28 28 TRP N N 28 119.703 121.930 -2.227 1 1 282 . 10 1 1 A 29 29 PRO HA H 29 4.543 4.633 -0.090 1 1 289 . 10 1 1 A 29 29 PRO C C 29 175.962 175.730 0.232 1 1 290 . 10 1 1 A 29 29 PRO CA C 29 61.702 62.398 -0.696 1 1 291 . 10 1 1 A 29 29 PRO CB C 29 32.041 33.026 -0.985 1 1 294 . 10 1 1 A 30 30 GLN H H 30 8.248 8.573 -0.325 1 1 295 . 10 1 1 A 30 30 GLN HA H 30 4.654 4.870 -0.216 1 1 302 . 10 1 1 A 30 30 GLN C C 30 174.856 174.710 0.146 1 1 303 . 10 1 1 A 30 30 GLN CA C 30 54.524 53.244 1.280 1 1 304 . 10 1 1 A 30 30 GLN CB C 30 28.623 31.691 -3.068 1 1 306 . 10 1 1 A 30 30 GLN N N 30 117.321 120.670 -3.349 1 1 308 . 10 1 1 A 31 31 PRO HA H 31 4.116 4.808 -0.692 1 1 315 . 10 1 1 A 31 31 PRO C C 31 175.787 176.067 -0.280 1 1 316 . 10 1 1 A 31 31 PRO CA C 31 63.364 62.971 0.393 1 1 317 . 10 1 1 A 31 31 PRO CB C 31 32.503 33.303 -0.800 1 1 320 . 10 1 1 A 32 32 GLU H H 32 8.367 8.340 0.027 1 1 321 . 10 1 1 A 32 32 GLU HA H 32 4.004 4.492 -0.488 1 1 326 . 10 1 1 A 32 32 GLU C C 32 176.748 176.894 -0.146 1 1 327 . 10 1 1 A 32 32 GLU CA C 32 58.644 56.340 2.304 1 1 328 . 10 1 1 A 32 32 GLU CB C 32 30.271 30.806 -0.535 1 1 330 . 10 1 1 A 32 32 GLU N N 32 122.959 117.831 5.128 1 1 331 . 10 1 1 A 33 33 GLN H H 33 8.220 7.713 0.507 1 1 332 . 10 1 1 A 33 33 GLN HA H 33 4.820 4.853 -0.033 1 1 339 . 10 1 1 A 33 33 GLN C C 33 172.938 174.302 -1.364 1 1 340 . 10 1 1 A 33 33 GLN CA C 33 52.544 53.491 -0.947 1 1 341 . 10 1 1 A 33 33 GLN CB C 33 29.077 29.215 -0.138 1 1 343 . 10 1 1 A 33 33 GLN N N 33 116.413 119.057 -2.644 1 1 345 . 10 1 1 A 34 34 PRO HA H 34 4.039 4.412 -0.373 1 1 352 . 10 1 1 A 34 34 PRO C C 34 175.293 176.635 -1.342 1 1 353 . 10 1 1 A 34 34 PRO CA C 34 64.248 63.646 0.602 1 1 354 . 10 1 1 A 34 34 PRO CB C 34 31.974 32.083 -0.109 1 1 357 . 10 1 1 A 35 35 ASN H H 35 8.478 8.107 0.371 1 1 358 . 10 1 1 A 35 35 ASN HA H 35 4.270 4.396 -0.126 1 1 363 . 10 1 1 A 35 35 ASN C C 35 173.982 174.484 -0.502 1 1 364 . 10 1 1 A 35 35 ASN CA C 35 53.655 54.564 -0.909 1 1 365 . 10 1 1 A 35 35 ASN CB C 35 37.151 36.981 0.170 1 1 366 . 10 1 1 A 35 35 ASN N N 35 111.907 115.070 -3.163 1 1 368 . 10 1 1 A 36 36 GLY H H 36 7.537 8.178 -0.641 1 1 369 . 10 1 1 A 36 36 GLY HA2 H 36 4.247 3.995 0.252 1 1 370 . 10 1 1 A 36 36 GLY HA3 H 36 3.749 4.005 -0.256 1 1 371 . 10 1 1 A 36 36 GLY C C 36 172.062 172.963 -0.901 1 1 372 . 10 1 1 A 36 36 GLY CA C 36 44.147 44.349 -0.202 1 1 373 . 10 1 1 A 36 36 GLY N N 36 105.149 106.541 -1.392 1 1 374 . 10 1 1 A 37 37 ILE H H 37 8.107 8.512 -0.405 1 1 375 . 10 1 1 A 37 37 ILE HA H 37 4.017 3.930 0.087 1 1 385 . 10 1 1 A 37 37 ILE C C 37 176.534 175.506 1.028 1 1 386 . 10 1 1 A 37 37 ILE CA C 37 60.331 62.299 -1.968 1 1 387 . 10 1 1 A 37 37 ILE CB C 37 38.929 37.833 1.096 1 1 391 . 10 1 1 A 37 37 ILE N N 37 120.104 121.675 -1.571 1 1 392 . 10 1 1 A 38 38 ILE H H 38 8.678 8.803 -0.125 1 1 393 . 10 1 1 A 38 38 ILE HA H 38 3.695 4.260 -0.565 1 1 403 . 10 1 1 A 38 38 ILE C C 38 176.027 175.524 0.503 1 1 404 . 10 1 1 A 38 38 ILE CA C 38 61.811 60.913 0.898 1 1 405 . 10 1 1 A 38 38 ILE CB C 38 37.028 36.830 0.198 1 1 409 . 10 1 1 A 38 38 ILE N N 38 127.591 126.870 0.721 1 1 410 . 10 1 1 A 39 39 LEU H H 39 9.054 8.220 0.834 1 1 411 . 10 1 1 A 39 39 LEU HA H 39 4.188 3.872 0.316 1 1 421 . 10 1 1 A 39 39 LEU C C 39 176.826 176.747 0.079 1 1 422 . 10 1 1 A 39 39 LEU CA C 39 56.416 57.896 -1.480 1 1 423 . 10 1 1 A 39 39 LEU CB C 39 42.664 41.998 0.666 1 1 427 . 10 1 1 A 39 39 LEU N N 39 130.577 130.010 0.567 1 1 428 . 10 1 1 A 40 40 ASP H H 40 7.502 7.559 -0.057 1 1 429 . 10 1 1 A 40 40 ASP HA H 40 4.392 4.936 -0.544 1 1 432 . 10 1 1 A 40 40 ASP C C 40 171.781 173.642 -1.861 1 1 433 . 10 1 1 A 40 40 ASP CA C 40 52.884 53.083 -0.199 1 1 434 . 10 1 1 A 40 40 ASP CB C 40 41.985 44.521 -2.536 1 1 435 . 10 1 1 A 40 40 ASP N N 40 112.731 115.402 -2.671 1 1 436 . 10 1 1 A 41 41 TYR H H 41 8.974 9.065 -0.091 1 1 437 . 10 1 1 A 41 41 TYR HA H 41 5.379 5.277 0.102 1 1 444 . 10 1 1 A 41 41 TYR C C 41 175.555 174.606 0.949 1 1 445 . 10 1 1 A 41 41 TYR CA C 41 56.574 56.731 -0.157 1 1 446 . 10 1 1 A 41 41 TYR CB C 41 42.213 41.019 1.194 1 1 449 . 10 1 1 A 41 41 TYR N N 41 111.324 117.515 -6.191 1 1 450 . 10 1 1 A 42 42 GLU H H 42 9.184 9.204 -0.020 1 1 451 . 10 1 1 A 42 42 GLU HA H 42 5.066 5.325 -0.259 1 1 456 . 10 1 1 A 42 42 GLU C C 42 174.368 175.195 -0.827 1 1 457 . 10 1 1 A 42 42 GLU CA C 42 55.126 55.633 -0.507 1 1 458 . 10 1 1 A 42 42 GLU CB C 42 33.471 31.729 1.742 1 1 460 . 10 1 1 A 42 42 GLU N N 42 120.875 125.152 -4.277 1 1 461 . 10 1 1 A 43 43 ILE H H 43 9.355 9.581 -0.226 1 1 462 . 10 1 1 A 43 43 ILE HA H 43 4.853 5.308 -0.455 1 1 472 . 10 1 1 A 43 43 ILE C C 43 174.430 174.296 0.134 1 1 473 . 10 1 1 A 43 43 ILE CA C 43 60.323 60.230 0.093 1 1 474 . 10 1 1 A 43 43 ILE CB C 43 40.297 40.386 -0.089 1 1 478 . 10 1 1 A 43 43 ILE N N 43 126.045 127.267 -1.222 1 1 479 . 10 1 1 A 44 44 ARG H H 44 9.097 9.377 -0.280 1 1 480 . 10 1 1 A 44 44 ARG HA H 44 5.545 5.361 0.184 1 1 487 . 10 1 1 A 44 44 ARG C C 44 175.523 174.508 1.015 1 1 488 . 10 1 1 A 44 44 ARG CA C 44 54.386 54.446 -0.060 1 1 489 . 10 1 1 A 44 44 ARG CB C 44 34.638 33.022 1.616 1 1 492 . 10 1 1 A 44 44 ARG N N 44 127.831 128.981 -1.150 1 1 493 . 10 1 1 A 45 45 TYR H H 45 8.893 8.786 0.107 1 1 494 . 10 1 1 A 45 45 TYR HA H 45 6.272 6.108 0.164 1 1 501 . 10 1 1 A 45 45 TYR C C 45 173.560 173.349 0.211 1 1 502 . 10 1 1 A 45 45 TYR CA C 45 54.767 55.381 -0.614 1 1 503 . 10 1 1 A 45 45 TYR CB C 45 43.168 42.507 0.661 1 1 508 . 10 1 1 A 45 45 TYR N N 45 123.683 123.424 0.259 1 1 509 . 10 1 1 A 46 46 TYR H H 46 8.479 8.368 0.111 1 1 510 . 10 1 1 A 46 46 TYR HA H 46 5.048 5.132 -0.084 1 1 517 . 10 1 1 A 46 46 TYR C C 46 173.870 174.045 -0.175 1 1 518 . 10 1 1 A 46 46 TYR CA C 46 55.485 55.620 -0.135 1 1 519 . 10 1 1 A 46 46 TYR CB C 46 39.975 40.760 -0.785 1 1 524 . 10 1 1 A 46 46 TYR N N 46 114.778 117.509 -2.731 1 1 525 . 10 1 1 A 47 47 GLU H H 47 9.111 8.679 0.432 1 1 526 . 10 1 1 A 47 47 GLU HA H 47 3.819 3.875 -0.056 1 1 531 . 10 1 1 A 47 47 GLU C C 47 177.764 177.819 -0.055 1 1 532 . 10 1 1 A 47 47 GLU CA C 47 57.123 57.043 0.080 1 1 533 . 10 1 1 A 47 47 GLU CB C 47 29.773 29.709 0.064 1 1 535 . 10 1 1 A 47 47 GLU N N 47 122.069 120.687 1.382 1 1 536 . 10 1 1 A 48 48 LYS H H 48 8.246 8.466 -0.220 1 1 537 . 10 1 1 A 48 48 LYS HA H 48 3.722 3.778 -0.056 1 1 546 . 10 1 1 A 48 48 LYS C C 48 176.588 178.286 -1.698 1 1 547 . 10 1 1 A 48 48 LYS CA C 48 59.774 60.104 -0.330 1 1 548 . 10 1 1 A 48 48 LYS CB C 48 33.032 32.053 0.979 1 1 552 . 10 1 1 A 48 48 LYS N N 48 122.857 125.696 -2.839 1 1 553 . 10 1 1 A 49 49 GLU H H 49 8.192 7.790 0.402 1 1 554 . 10 1 1 A 49 49 GLU HA H 49 4.216 4.335 -0.119 1 1 559 . 10 1 1 A 49 49 GLU C C 49 176.987 177.792 -0.805 1 1 560 . 10 1 1 A 49 49 GLU CA C 49 57.447 58.523 -1.076 1 1 561 . 10 1 1 A 49 49 GLU CB C 49 28.987 30.262 -1.275 1 1 563 . 10 1 1 A 49 49 GLU N N 49 114.305 117.388 -3.083 1 1 564 . 10 1 1 A 50 50 HIS H H 50 8.329 8.173 0.156 1 1 565 . 10 1 1 A 50 50 HIS HA H 50 4.928 4.581 0.347 1 1 570 . 10 1 1 A 50 50 HIS C C 50 173.255 175.285 -2.030 1 1 571 . 10 1 1 A 50 50 HIS CA C 50 54.372 57.016 -2.644 1 1 572 . 10 1 1 A 50 50 HIS CB C 50 31.082 30.686 0.396 1 1 575 . 10 1 1 A 50 50 HIS N N 50 120.021 118.730 1.291 1 1 576 . 10 1 1 A 51 51 ASN H H 51 7.687 9.101 -1.414 1 1 577 . 10 1 1 A 51 51 ASN HA H 51 4.259 4.767 -0.508 1 1 582 . 10 1 1 A 51 51 ASN C C 51 174.779 176.797 -2.018 1 1 583 . 10 1 1 A 51 51 ASN CA C 51 52.561 52.295 0.266 1 1 584 . 10 1 1 A 51 51 ASN CB C 51 39.474 39.376 0.098 1 1 585 . 10 1 1 A 51 51 ASN N N 51 114.158 120.231 -6.073 1 1 587 . 10 1 1 A 52 52 GLU H H 52 8.551 8.626 -0.075 1 1 588 . 10 1 1 A 52 52 GLU HA H 52 2.797 3.405 -0.608 1 1 593 . 10 1 1 A 52 52 GLU C C 52 177.117 178.534 -1.417 1 1 594 . 10 1 1 A 52 52 GLU CA C 52 58.155 59.722 -1.567 1 1 595 . 10 1 1 A 52 52 GLU CB C 52 28.912 29.013 -0.101 1 1 597 . 10 1 1 A 52 52 GLU N N 52 117.019 121.890 -4.871 1 1 598 . 10 1 1 A 53 53 PHE H H 53 7.855 8.443 -0.588 1 1 599 . 10 1 1 A 53 53 PHE HA H 53 4.371 4.297 0.074 1 1 607 . 10 1 1 A 53 53 PHE C C 53 175.783 176.775 -0.992 1 1 608 . 10 1 1 A 53 53 PHE CA C 53 58.785 60.875 -2.090 1 1 609 . 10 1 1 A 53 53 PHE CB C 53 37.747 38.876 -1.129 1 1 615 . 10 1 1 A 53 53 PHE N N 53 119.462 118.940 0.522 1 1 616 . 10 1 1 A 54 54 ASN H H 54 7.744 7.572 0.172 1 1 617 . 10 1 1 A 54 54 ASN HA H 54 4.948 4.880 0.068 1 1 622 . 10 1 1 A 54 54 ASN C C 54 173.922 173.759 0.163 1 1 623 . 10 1 1 A 54 54 ASN CA C 54 52.102 52.342 -0.240 1 1 624 . 10 1 1 A 54 54 ASN CB C 54 38.637 36.980 1.657 1 1 625 . 10 1 1 A 54 54 ASN N N 54 120.451 115.417 5.034 1 1 627 . 10 1 1 A 55 55 SER H H 55 7.469 8.428 -0.959 1 1 628 . 10 1 1 A 55 55 SER HA H 55 4.710 5.237 -0.527 1 1 631 . 10 1 1 A 55 55 SER C C 55 173.922 172.976 0.946 1 1 632 . 10 1 1 A 55 55 SER CA C 55 57.883 56.125 1.758 1 1 633 . 10 1 1 A 55 55 SER CB C 55 66.064 66.142 -0.078 1 1 634 . 10 1 1 A 55 55 SER N N 55 113.429 114.881 -1.452 1 1 635 . 10 1 1 A 56 56 SER H H 56 8.458 8.440 0.018 1 1 636 . 10 1 1 A 56 56 SER HA H 56 4.632 5.309 -0.677 1 1 639 . 10 1 1 A 56 56 SER C C 56 171.119 173.278 -2.159 1 1 640 . 10 1 1 A 56 56 SER CA C 56 57.866 56.980 0.886 1 1 641 . 10 1 1 A 56 56 SER CB C 56 65.164 65.175 -0.011 1 1 642 . 10 1 1 A 56 56 SER N N 56 116.653 117.489 -0.836 1 1 643 . 10 1 1 A 57 57 MET H H 57 8.355 8.821 -0.466 1 1 644 . 10 1 1 A 57 57 MET HA H 57 5.776 5.859 -0.083 1 1 652 . 10 1 1 A 57 57 MET C C 57 175.771 175.285 0.486 1 1 653 . 10 1 1 A 57 57 MET CA C 57 53.913 53.702 0.211 1 1 654 . 10 1 1 A 57 57 MET CB C 57 36.115 36.107 0.008 1 1 657 . 10 1 1 A 57 57 MET N N 57 119.463 123.645 -4.182 1 1 658 . 10 1 1 A 58 58 ALA H H 58 9.547 9.022 0.525 1 1 659 . 10 1 1 A 58 58 ALA HA H 58 4.890 5.205 -0.315 1 1 663 . 10 1 1 A 58 58 ALA C C 58 175.328 176.040 -0.712 1 1 664 . 10 1 1 A 58 58 ALA CA C 58 50.829 50.905 -0.076 1 1 665 . 10 1 1 A 58 58 ALA CB C 58 22.649 23.122 -0.473 1 1 666 . 10 1 1 A 58 58 ALA N N 58 127.410 123.157 4.253 1 1 667 . 10 1 1 A 59 59 ARG H H 59 8.776 8.599 0.177 1 1 668 . 10 1 1 A 59 59 ARG HA H 59 5.567 4.887 0.680 1 1 675 . 10 1 1 A 59 59 ARG C C 59 176.336 175.038 1.298 1 1 676 . 10 1 1 A 59 59 ARG CA C 59 54.843 55.801 -0.958 1 1 677 . 10 1 1 A 59 59 ARG CB C 59 33.691 31.992 1.699 1 1 680 . 10 1 1 A 59 59 ARG N N 59 119.945 121.854 -1.909 1 1 681 . 10 1 1 A 60 60 SER H H 60 8.919 8.572 0.347 1 1 682 . 10 1 1 A 60 60 SER HA H 60 5.011 5.145 -0.134 1 1 685 . 10 1 1 A 60 60 SER C C 60 174.614 174.473 0.141 1 1 686 . 10 1 1 A 60 60 SER CA C 60 56.752 56.574 0.178 1 1 687 . 10 1 1 A 60 60 SER CB C 60 66.198 65.494 0.704 1 1 688 . 10 1 1 A 60 60 SER N N 60 115.274 116.777 -1.503 1 1 689 . 10 1 1 A 61 61 GLN H H 61 9.367 8.581 0.786 1 1 690 . 10 1 1 A 61 61 GLN HA H 61 4.556 4.767 -0.211 1 1 697 . 10 1 1 A 61 61 GLN C C 61 175.391 175.440 -0.049 1 1 698 . 10 1 1 A 61 61 GLN CA C 61 57.664 56.445 1.219 1 1 699 . 10 1 1 A 61 61 GLN CB C 61 29.763 29.441 0.322 1 1 701 . 10 1 1 A 61 61 GLN N N 61 124.808 125.482 -0.674 1 1 703 . 10 1 1 A 62 62 THR H H 62 8.075 7.575 0.500 1 1 704 . 10 1 1 A 62 62 THR HA H 62 4.918 4.621 0.297 1 1 709 . 10 1 1 A 62 62 THR C C 62 173.106 172.703 0.403 1 1 710 . 10 1 1 A 62 62 THR CA C 62 59.369 60.060 -0.691 1 1 711 . 10 1 1 A 62 62 THR CB C 62 70.607 70.503 0.104 1 1 713 . 10 1 1 A 62 62 THR N N 62 110.260 113.810 -3.550 1 1 714 . 10 1 1 A 63 63 ASN H H 63 8.575 8.362 0.213 1 1 715 . 10 1 1 A 63 63 ASN HA H 63 3.457 4.011 -0.554 1 1 720 . 10 1 1 A 63 63 ASN C C 63 172.343 173.621 -1.278 1 1 721 . 10 1 1 A 63 63 ASN CA C 63 53.270 52.591 0.679 1 1 722 . 10 1 1 A 63 63 ASN CB C 63 34.441 38.439 -3.998 1 1 723 . 10 1 1 A 63 63 ASN N N 63 119.090 120.653 -1.563 1 1 725 . 10 1 1 A 64 64 THR H H 64 6.850 7.219 -0.369 1 1 726 . 10 1 1 A 64 64 THR HA H 64 4.296 4.020 0.276 1 1 731 . 10 1 1 A 64 64 THR C C 64 172.238 171.766 0.472 1 1 732 . 10 1 1 A 64 64 THR CA C 64 60.501 60.908 -0.407 1 1 733 . 10 1 1 A 64 64 THR CB C 64 71.252 71.300 -0.048 1 1 735 . 10 1 1 A 64 64 THR N N 64 111.612 113.770 -2.158 1 1 736 . 10 1 1 A 65 65 ALA H H 65 8.619 8.713 -0.094 1 1 737 . 10 1 1 A 65 65 ALA HA H 65 4.595 5.035 -0.440 1 1 741 . 10 1 1 A 65 65 ALA C C 65 174.046 174.921 -0.875 1 1 742 . 10 1 1 A 65 65 ALA CA C 65 52.102 51.067 1.035 1 1 743 . 10 1 1 A 65 65 ALA CB C 65 22.427 23.783 -1.356 1 1 744 . 10 1 1 A 65 65 ALA N N 65 124.370 129.850 -5.480 1 1 745 . 10 1 1 A 66 66 ARG H H 66 8.533 8.713 -0.180 1 1 746 . 10 1 1 A 66 66 ARG HA H 66 4.973 5.218 -0.245 1 1 753 . 10 1 1 A 66 66 ARG C C 66 175.240 174.736 0.504 1 1 754 . 10 1 1 A 66 66 ARG CA C 66 54.560 54.294 0.266 1 1 755 . 10 1 1 A 66 66 ARG CB C 66 32.088 33.600 -1.512 1 1 758 . 10 1 1 A 66 66 ARG N N 66 122.633 121.208 1.425 1 1 759 . 10 1 1 A 67 67 ILE H H 67 8.967 8.873 0.094 1 1 760 . 10 1 1 A 67 67 ILE HA H 67 4.013 4.162 -0.149 1 1 770 . 10 1 1 A 67 67 ILE C C 67 174.026 175.256 -1.230 1 1 771 . 10 1 1 A 67 67 ILE CA C 67 60.377 60.148 0.229 1 1 772 . 10 1 1 A 67 67 ILE CB C 67 38.044 37.520 0.524 1 1 776 . 10 1 1 A 67 67 ILE N N 67 128.560 127.747 0.813 1 1 777 . 10 1 1 A 68 68 ASP H H 68 8.117 8.469 -0.352 1 1 778 . 10 1 1 A 68 68 ASP HA H 68 5.060 5.232 -0.172 1 1 781 . 10 1 1 A 68 68 ASP C C 68 175.792 176.358 -0.566 1 1 782 . 10 1 1 A 68 68 ASP CA C 68 52.474 52.435 0.039 1 1 783 . 10 1 1 A 68 68 ASP CB C 68 44.116 43.878 0.238 1 1 784 . 10 1 1 A 68 68 ASP N N 68 125.243 126.369 -1.126 1 1 785 . 10 1 1 A 69 69 GLY H H 69 8.568 8.473 0.095 1 1 786 . 10 1 1 A 69 69 GLY HA2 H 69 3.951 3.946 0.005 1 1 787 . 10 1 1 A 69 69 GLY HA3 H 69 3.830 3.975 -0.145 1 1 788 . 10 1 1 A 69 69 GLY C C 69 175.359 173.985 1.374 1 1 789 . 10 1 1 A 69 69 GLY CA C 69 46.356 46.133 0.223 1 1 790 . 10 1 1 A 69 69 GLY N N 69 105.736 110.898 -5.162 1 1 791 . 10 1 1 A 70 70 LEU H H 70 7.982 7.222 0.760 1 1 792 . 10 1 1 A 70 70 LEU HA H 70 4.356 4.817 -0.461 1 1 802 . 10 1 1 A 70 70 LEU C C 70 175.151 175.288 -0.137 1 1 803 . 10 1 1 A 70 70 LEU CA C 70 53.110 53.063 0.047 1 1 804 . 10 1 1 A 70 70 LEU CB C 70 40.992 45.435 -4.443 1 1 808 . 10 1 1 A 70 70 LEU N N 70 118.817 119.781 -0.964 1 1 809 . 10 1 1 A 71 71 ARG H H 71 8.148 8.803 -0.655 1 1 810 . 10 1 1 A 71 71 ARG HA H 71 4.922 4.773 0.149 1 1 817 . 10 1 1 A 71 71 ARG C C 71 174.419 173.854 0.565 1 1 818 . 10 1 1 A 71 71 ARG CA C 71 53.534 53.306 0.228 1 1 819 . 10 1 1 A 71 71 ARG CB C 71 32.001 30.682 1.319 1 1 822 . 10 1 1 A 71 71 ARG N N 71 118.182 121.615 -3.433 1 1 823 . 10 1 1 A 72 72 PRO HA H 72 5.168 4.479 0.689 1 1 830 . 10 1 1 A 72 72 PRO C C 72 178.121 177.584 0.537 1 1 831 . 10 1 1 A 72 72 PRO CA C 72 63.416 63.658 -0.242 1 1 832 . 10 1 1 A 72 72 PRO CB C 72 32.908 31.559 1.349 1 1 835 . 10 1 1 A 73 73 GLY H H 73 7.705 8.633 -0.928 1 1 836 . 10 1 1 A 73 73 GLY HA2 H 73 3.856 3.977 -0.121 1 1 837 . 10 1 1 A 73 73 GLY HA3 H 73 3.508 3.984 -0.476 1 1 838 . 10 1 1 A 73 73 GLY C C 73 173.685 174.015 -0.330 1 1 839 . 10 1 1 A 73 73 GLY CA C 73 46.731 46.523 0.208 1 1 840 . 10 1 1 A 73 73 GLY N N 73 112.669 111.785 0.884 1 1 841 . 10 1 1 A 74 74 MET H H 74 7.511 7.442 0.069 1 1 842 . 10 1 1 A 74 74 MET HA H 74 4.742 4.979 -0.237 1 1 850 . 10 1 1 A 74 74 MET C C 74 173.525 174.674 -1.149 1 1 851 . 10 1 1 A 74 74 MET CA C 74 53.216 54.444 -1.228 1 1 852 . 10 1 1 A 74 74 MET CB C 74 33.610 37.378 -3.768 1 1 855 . 10 1 1 A 74 74 MET N N 74 119.820 118.371 1.449 1 1 856 . 10 1 1 A 75 75 VAL H H 75 7.651 8.548 -0.897 1 1 857 . 10 1 1 A 75 75 VAL HA H 75 4.361 4.787 -0.426 1 1 865 . 10 1 1 A 75 75 VAL C C 75 174.677 174.823 -0.146 1 1 866 . 10 1 1 A 75 75 VAL CA C 75 61.581 61.615 -0.034 1 1 867 . 10 1 1 A 75 75 VAL CB C 75 32.345 32.521 -0.176 1 1 870 . 10 1 1 A 75 75 VAL N N 75 121.287 123.187 -1.900 1 1 871 . 10 1 1 A 76 76 TYR H H 76 9.405 9.093 0.312 1 1 872 . 10 1 1 A 76 76 TYR HA H 76 4.743 4.977 -0.234 1 1 879 . 10 1 1 A 76 76 TYR C C 76 174.740 175.195 -0.455 1 1 880 . 10 1 1 A 76 76 TYR CA C 76 57.424 56.525 0.899 1 1 881 . 10 1 1 A 76 76 TYR CB C 76 41.151 40.788 0.363 1 1 886 . 10 1 1 A 76 76 TYR N N 76 126.231 125.290 0.941 1 1 887 . 10 1 1 A 77 77 VAL H H 77 8.867 8.139 0.728 1 1 888 . 10 1 1 A 77 77 VAL HA H 77 4.318 4.003 0.315 1 1 896 . 10 1 1 A 77 77 VAL C C 77 175.773 175.233 0.540 1 1 897 . 10 1 1 A 77 77 VAL CA C 77 61.473 63.173 -1.700 1 1 898 . 10 1 1 A 77 77 VAL CB C 77 31.218 30.651 0.567 1 1 901 . 10 1 1 A 77 77 VAL N N 77 123.699 125.044 -1.345 1 1 902 . 10 1 1 A 78 78 VAL H H 78 8.683 8.938 -0.255 1 1 903 . 10 1 1 A 78 78 VAL HA H 78 4.995 5.043 -0.048 1 1 911 . 10 1 1 A 78 78 VAL C C 78 175.275 175.071 0.204 1 1 912 . 10 1 1 A 78 78 VAL CA C 78 60.942 61.006 -0.064 1 1 913 . 10 1 1 A 78 78 VAL CB C 78 34.790 33.718 1.072 1 1 916 . 10 1 1 A 78 78 VAL N N 78 124.155 128.793 -4.638 1 1 917 . 10 1 1 A 79 79 GLN H H 79 8.613 8.410 0.203 1 1 918 . 10 1 1 A 79 79 GLN HA H 79 4.511 4.938 -0.427 1 1 925 . 10 1 1 A 79 79 GLN C C 79 173.361 174.250 -0.889 1 1 926 . 10 1 1 A 79 79 GLN CA C 79 54.666 54.678 -0.012 1 1 927 . 10 1 1 A 79 79 GLN CB C 79 36.751 33.360 3.391 1 1 929 . 10 1 1 A 79 79 GLN N N 79 121.693 123.283 -1.590 1 1 931 . 10 1 1 A 80 80 VAL H H 80 9.019 8.318 0.701 1 1 932 . 10 1 1 A 80 80 VAL HA H 80 5.801 5.271 0.530 1 1 940 . 10 1 1 A 80 80 VAL C C 80 174.526 173.962 0.564 1 1 941 . 10 1 1 A 80 80 VAL CA C 80 58.750 59.260 -0.510 1 1 942 . 10 1 1 A 80 80 VAL CB C 80 35.479 35.113 0.366 1 1 945 . 10 1 1 A 80 80 VAL N N 80 118.559 121.525 -2.966 1 1 946 . 10 1 1 A 81 81 ARG H H 81 9.199 8.731 0.468 1 1 947 . 10 1 1 A 81 81 ARG HA H 81 4.951 5.183 -0.232 1 1 955 . 10 1 1 A 81 81 ARG C C 81 172.660 174.106 -1.446 1 1 956 . 10 1 1 A 81 81 ARG CA C 81 54.295 53.512 0.783 1 1 957 . 10 1 1 A 81 81 ARG CB C 81 33.750 33.725 0.025 1 1 960 . 10 1 1 A 81 81 ARG N N 81 125.225 125.891 -0.666 1 1 962 . 10 1 1 A 82 82 ALA H H 82 8.762 8.683 0.079 1 1 963 . 10 1 1 A 82 82 ALA HA H 82 4.820 5.331 -0.511 1 1 967 . 10 1 1 A 82 82 ALA C C 82 174.783 175.496 -0.713 1 1 968 . 10 1 1 A 82 82 ALA CA C 82 50.741 49.966 0.775 1 1 969 . 10 1 1 A 82 82 ALA CB C 82 22.383 21.647 0.736 1 1 970 . 10 1 1 A 82 82 ALA N N 82 124.292 122.665 1.627 1 1 971 . 10 1 1 A 83 83 ARG H H 83 8.336 8.248 0.088 1 1 972 . 10 1 1 A 83 83 ARG HA H 83 4.737 4.953 -0.216 1 1 980 . 10 1 1 A 83 83 ARG C C 83 175.290 174.448 0.842 1 1 981 . 10 1 1 A 83 83 ARG CA C 83 55.727 53.916 1.811 1 1 982 . 10 1 1 A 83 83 ARG CB C 83 34.562 33.423 1.139 1 1 985 . 10 1 1 A 83 83 ARG N N 83 121.023 122.692 -1.669 1 1 987 . 10 1 1 A 84 84 THR H H 84 8.485 8.764 -0.279 1 1 988 . 10 1 1 A 84 84 THR HA H 84 4.875 4.746 0.129 1 1 993 . 10 1 1 A 84 84 THR C C 84 176.218 175.025 1.193 1 1 994 . 10 1 1 A 84 84 THR CA C 84 59.475 59.784 -0.309 1 1 995 . 10 1 1 A 84 84 THR CB C 84 72.440 72.240 0.200 1 1 997 . 10 1 1 A 84 84 THR N N 84 116.374 116.248 0.126 1 1 998 . 10 1 1 A 85 85 VAL H H 85 9.283 8.649 0.634 1 1 999 . 10 1 1 A 85 85 VAL HA H 85 3.794 3.901 -0.107 1 1 1007 . 10 1 1 A 85 85 VAL C C 85 175.930 176.763 -0.833 1 1 1008 . 10 1 1 A 85 85 VAL CA C 85 64.934 64.273 0.661 1 1 1009 . 10 1 1 A 85 85 VAL CB C 85 31.621 31.687 -0.066 1 1 1012 . 10 1 1 A 85 85 VAL N N 85 119.099 121.252 -2.153 1 1 1013 . 10 1 1 A 86 86 ALA H H 86 7.840 7.628 0.212 1 1 1014 . 10 1 1 A 86 86 ALA HA H 86 4.242 4.281 -0.039 1 1 1018 . 10 1 1 A 86 86 ALA C C 86 177.467 177.078 0.389 1 1 1019 . 10 1 1 A 86 86 ALA CA C 86 52.774 52.481 0.293 1 1 1020 . 10 1 1 A 86 86 ALA CB C 86 19.733 20.098 -0.365 1 1 1021 . 10 1 1 A 86 86 ALA N N 86 121.263 122.819 -1.556 1 1 1022 . 10 1 1 A 87 87 GLY H H 87 7.365 7.099 0.266 1 1 1023 . 10 1 1 A 87 87 GLY HA2 H 87 4.402 4.072 0.330 1 1 1024 . 10 1 1 A 87 87 GLY HA3 H 87 3.588 4.086 -0.498 1 1 1025 . 10 1 1 A 87 87 GLY C C 87 171.960 171.616 0.344 1 1 1026 . 10 1 1 A 87 87 GLY CA C 87 44.170 45.319 -1.149 1 1 1027 . 10 1 1 A 87 87 GLY N N 87 105.736 103.651 2.085 1 1 1028 . 10 1 1 A 88 88 TYR H H 88 8.444 8.506 -0.062 1 1 1029 . 10 1 1 A 88 88 TYR HA H 88 5.063 4.980 0.083 1 1 1036 . 10 1 1 A 88 88 TYR C C 88 179.239 175.663 3.576 1 1 1037 . 10 1 1 A 88 88 TYR CA C 88 58.308 55.703 2.605 1 1 1038 . 10 1 1 A 88 88 TYR CB C 88 41.442 40.454 0.988 1 1 1043 . 10 1 1 A 88 88 TYR N N 88 116.996 120.384 -3.388 1 1 1044 . 10 1 1 A 89 89 GLY H H 89 8.676 8.903 -0.227 1 1 1045 . 10 1 1 A 89 89 GLY HA2 H 89 4.324 4.124 0.200 1 1 1046 . 10 1 1 A 89 89 GLY HA3 H 89 3.973 4.149 -0.176 1 1 1047 . 10 1 1 A 89 89 GLY C C 89 173.844 173.394 0.450 1 1 1048 . 10 1 1 A 89 89 GLY CA C 89 43.916 44.231 -0.315 1 1 1049 . 10 1 1 A 89 89 GLY N N 89 107.850 110.992 -3.142 1 1 1050 . 10 1 1 A 90 90 LYS H H 90 8.711 8.255 0.456 1 1 1051 . 10 1 1 A 90 90 LYS HA H 90 4.166 4.164 0.002 1 1 1060 . 10 1 1 A 90 90 LYS C C 90 177.819 175.738 2.081 1 1 1061 . 10 1 1 A 90 90 LYS CA C 90 56.162 55.887 0.275 1 1 1062 . 10 1 1 A 90 90 LYS CB C 90 32.730 32.862 -0.132 1 1 1066 . 10 1 1 A 90 90 LYS N N 90 119.382 118.938 0.444 1 1 1067 . 10 1 1 A 91 91 PHE H H 91 8.698 8.897 -0.199 1 1 1068 . 10 1 1 A 91 91 PHE HA H 91 4.241 4.846 -0.605 1 1 1076 . 10 1 1 A 91 91 PHE C C 91 176.805 175.957 0.848 1 1 1077 . 10 1 1 A 91 91 PHE CA C 91 61.027 57.559 3.468 1 1 1078 . 10 1 1 A 91 91 PHE CB C 91 39.995 41.122 -1.127 1 1 1084 . 10 1 1 A 91 91 PHE N N 91 120.691 117.926 2.765 1 1 1085 . 10 1 1 A 92 92 SER H H 92 8.311 8.580 -0.269 1 1 1086 . 10 1 1 A 92 92 SER HA H 92 4.259 4.663 -0.404 1 1 1089 . 10 1 1 A 92 92 SER C C 92 173.499 174.831 -1.332 1 1 1090 . 10 1 1 A 92 92 SER CA C 92 58.146 57.767 0.379 1 1 1091 . 10 1 1 A 92 92 SER CB C 92 65.329 65.399 -0.070 1 1 1092 . 10 1 1 A 92 92 SER N N 92 115.098 116.464 -1.366 1 1 1093 . 10 1 1 A 93 93 GLY H H 93 8.869 8.578 0.291 1 1 1094 . 10 1 1 A 93 93 GLY HA2 H 93 4.071 3.975 0.096 1 1 1095 . 10 1 1 A 93 93 GLY HA3 H 93 3.780 3.985 -0.205 1 1 1096 . 10 1 1 A 93 93 GLY C C 93 174.375 174.168 0.207 1 1 1097 . 10 1 1 A 93 93 GLY CA C 93 45.331 45.769 -0.438 1 1 1098 . 10 1 1 A 93 93 GLY N N 93 106.252 108.211 -1.959 1 1 1099 . 10 1 1 A 94 94 LYS H H 94 8.619 8.437 0.182 1 1 1100 . 10 1 1 A 94 94 LYS HA H 94 3.633 4.143 -0.510 1 1 1109 . 10 1 1 A 94 94 LYS C C 94 176.004 176.529 -0.525 1 1 1110 . 10 1 1 A 94 94 LYS CA C 94 59.068 57.495 1.573 1 1 1111 . 10 1 1 A 94 94 LYS CB C 94 33.072 33.119 -0.047 1 1 1115 . 10 1 1 A 94 94 LYS N N 94 122.645 124.886 -2.241 1 1 1116 . 10 1 1 A 95 95 MET H H 95 7.547 8.657 -1.110 1 1 1117 . 10 1 1 A 95 95 MET HA H 95 4.520 4.772 -0.252 1 1 1125 . 10 1 1 A 95 95 MET C C 95 173.400 173.666 -0.266 1 1 1126 . 10 1 1 A 95 95 MET CA C 95 54.701 54.064 0.637 1 1 1127 . 10 1 1 A 95 95 MET CB C 95 37.784 35.802 1.982 1 1 1130 . 10 1 1 A 95 95 MET N N 95 122.392 121.164 1.228 1 1 1131 . 10 1 1 A 96 96 CYS H H 96 7.888 8.586 -0.698 1 1 1132 . 10 1 1 A 96 96 CYS HA H 96 5.465 5.142 0.323 1 1 1135 . 10 1 1 A 96 96 CYS C C 96 173.757 173.108 0.649 1 1 1136 . 10 1 1 A 96 96 CYS CA C 96 57.353 56.712 0.641 1 1 1137 . 10 1 1 A 96 96 CYS CB C 96 29.941 29.532 0.409 1 1 1138 . 10 1 1 A 96 96 CYS N N 96 117.124 121.464 -4.340 1 1 1139 . 10 1 1 A 97 97 PHE H H 97 9.133 8.350 0.783 1 1 1140 . 10 1 1 A 97 97 PHE HA H 97 4.879 5.024 -0.145 1 1 1148 . 10 1 1 A 97 97 PHE C C 97 173.309 175.313 -2.004 1 1 1149 . 10 1 1 A 97 97 PHE CA C 97 56.983 56.394 0.589 1 1 1150 . 10 1 1 A 97 97 PHE CB C 97 44.074 41.683 2.391 1 1 1156 . 10 1 1 A 97 97 PHE N N 97 121.239 121.933 -0.694 1 1 1157 . 10 1 1 A 98 98 GLN H H 98 8.884 8.698 0.186 1 1 1158 . 10 1 1 A 98 98 GLN HA H 98 5.809 5.225 0.584 1 1 1165 . 10 1 1 A 98 98 GLN C C 98 176.454 175.796 0.658 1 1 1166 . 10 1 1 A 98 98 GLN CA C 98 54.125 54.841 -0.716 1 1 1167 . 10 1 1 A 98 98 GLN CB C 98 33.444 30.558 2.886 1 1 1169 . 10 1 1 A 98 98 GLN N N 98 120.699 121.804 -1.105 1 1 1171 . 10 1 1 A 99 99 THR H H 99 8.176 8.292 -0.116 1 1 1172 . 10 1 1 A 99 99 THR HA H 99 4.324 4.607 -0.283 1 1 1177 . 10 1 1 A 99 99 THR C C 99 175.929 174.236 1.693 1 1 1178 . 10 1 1 A 99 99 THR CA C 99 60.341 61.392 -1.051 1 1 1179 . 10 1 1 A 99 99 THR CB C 99 70.070 71.658 -1.588 1 1 1181 . 10 1 1 A 99 99 THR N N 99 112.214 112.828 -0.614 1 1 1182 . 10 1 1 A 100 100 LEU H H 100 7.368 8.304 -0.936 1 1 1183 . 10 1 1 A 100 100 LEU HA H 100 4.310 4.402 -0.092 1 1 1193 . 10 1 1 A 100 100 LEU C C 100 177.359 176.989 0.370 1 1 1194 . 10 1 1 A 100 100 LEU CA C 100 54.790 55.046 -0.256 1 1 1195 . 10 1 1 A 100 100 LEU CB C 100 42.096 42.526 -0.430 1 1 1199 . 10 1 1 A 100 100 LEU N N 100 117.018 122.458 -5.440 1 1 1200 . 10 1 1 A 101 101 THR H H 101 7.997 8.555 -0.558 1 1 1201 . 10 1 1 A 101 101 THR HA H 101 4.123 4.827 -0.704 1 1 1206 . 10 1 1 A 101 101 THR C C 101 174.014 174.851 -0.837 1 1 1207 . 10 1 1 A 101 101 THR CA C 101 61.968 60.864 1.104 1 1 1208 . 10 1 1 A 101 101 THR CB C 101 70.172 69.651 0.521 1 1 1210 . 10 1 1 A 101 101 THR N N 101 110.428 115.057 -4.629 1 1 1211 . 10 1 1 A 102 102 ASP H H 102 8.320 8.871 -0.551 1 1 1212 . 10 1 1 A 102 102 ASP HA H 102 4.853 4.236 0.617 1 1 1215 . 10 1 1 A 102 102 ASP C C 102 176.204 177.768 -1.564 1 1 1216 . 10 1 1 A 102 102 ASP CA C 102 53.694 57.751 -4.057 1 1 1217 . 10 1 1 A 102 102 ASP CB C 102 41.808 40.893 0.915 1 1 1218 . 10 1 1 A 102 102 ASP N N 102 120.693 126.250 -5.557 1 1 1219 . 10 1 1 A 103 103 SER H H 103 8.294 8.108 0.186 1 1 1220 . 10 1 1 A 103 103 SER HA H 103 4.486 4.200 0.286 1 1 1223 . 10 1 1 A 103 103 SER C C 103 174.875 174.793 0.082 1 1 1224 . 10 1 1 A 103 103 SER CA C 103 58.361 60.945 -2.584 1 1 1225 . 10 1 1 A 103 103 SER CB C 103 63.942 63.467 0.475 1 1 1226 . 10 1 1 A 103 103 SER N N 103 117.442 113.527 3.915 1 1 1227 . 10 1 1 A 104 104 GLY H H 104 8.393 7.292 1.101 1 1 1228 . 10 1 1 A 104 104 GLY HA2 H 104 4.104 4.071 0.033 1 1 1229 . 10 1 1 A 104 104 GLY HA3 H 104 4.104 4.072 0.032 1 1 1230 . 10 1 1 A 104 104 GLY C C 104 172.016 172.056 -0.040 1 1 1231 . 10 1 1 A 104 104 GLY CA C 104 44.800 44.249 0.551 1 1 1232 . 10 1 1 A 104 104 GLY N N 104 111.065 105.188 5.877 1 1 1233 . 10 1 1 A 105 105 PRO HA H 105 4.475 4.591 -0.116 1 1 1240 . 10 1 1 A 105 105 PRO C C 105 177.464 175.639 1.825 1 1 1241 . 10 1 1 A 105 105 PRO CA C 105 63.329 62.587 0.742 1 1 1242 . 10 1 1 A 105 105 PRO CB C 105 32.249 33.274 -1.025 1 1 1245 . 10 1 1 A 106 106 SER H H 106 8.514 8.532 -0.018 1 1 1246 . 10 1 1 A 106 106 SER HA H 106 4.512 4.898 -0.386 1 1 1249 . 10 1 1 A 106 106 SER C C 106 174.735 173.589 1.146 1 1 1250 . 10 1 1 A 106 106 SER CA C 106 58.361 56.522 1.839 1 1 1251 . 10 1 1 A 106 106 SER CB C 106 63.820 65.644 -1.824 1 1 1252 . 10 1 1 A 106 106 SER N N 106 116.429 116.494 -0.065 1 1 1253 . 10 1 1 A 107 107 SER H H 107 8.329 8.691 -0.362 1 1 1254 . 10 1 1 A 107 107 SER HA H 107 4.512 4.247 0.265 1 1 1257 . 10 1 1 A 107 107 SER C C 107 174.004 175.527 -1.523 1 1 1258 . 10 1 1 A 107 107 SER CA C 107 58.414 59.706 -1.292 1 1 1259 . 10 1 1 A 107 107 SER CB C 107 64.014 64.438 -0.424 1 1 1260 . 10 1 1 A 107 107 SER N N 107 117.919 119.453 -1.534 1 1 1 . 11 1 1 A 6 6 SER HA H 6 4.523 4.571 -0.048 1 1 3 . 11 1 1 A 6 6 SER CA C 6 58.535 59.299 -0.764 1 1 4 . 11 1 1 A 6 6 SER CB C 6 64.106 65.230 -1.124 1 1 5 . 11 1 1 A 7 7 GLY H H 7 8.202 8.017 0.185 1 1 6 . 11 1 1 A 7 7 GLY HA2 H 7 3.881 4.048 -0.167 1 1 7 . 11 1 1 A 7 7 GLY HA3 H 7 3.740 4.049 -0.309 1 1 8 . 11 1 1 A 7 7 GLY CA C 7 44.322 44.725 -0.403 1 1 9 . 11 1 1 A 7 7 GLY N N 7 109.573 108.384 1.189 1 1 10 . 11 1 1 A 8 8 PRO HA H 8 4.641 4.493 0.148 1 1 17 . 11 1 1 A 8 8 PRO C C 8 176.480 176.554 -0.074 1 1 18 . 11 1 1 A 8 8 PRO CA C 8 62.582 62.675 -0.093 1 1 19 . 11 1 1 A 8 8 PRO CB C 8 32.331 31.962 0.369 1 1 22 . 11 1 1 A 9 9 SER H H 9 8.061 8.459 -0.398 1 1 23 . 11 1 1 A 9 9 SER HA H 9 4.374 4.498 -0.124 1 1 26 . 11 1 1 A 9 9 SER C C 9 173.090 173.520 -0.430 1 1 27 . 11 1 1 A 9 9 SER CA C 9 58.754 58.581 0.173 1 1 28 . 11 1 1 A 9 9 SER CB C 9 63.667 63.921 -0.254 1 1 29 . 11 1 1 A 9 9 SER N N 9 115.137 117.338 -2.201 1 1 30 . 11 1 1 A 10 10 THR H H 10 8.359 8.512 -0.153 1 1 31 . 11 1 1 A 10 10 THR HA H 10 4.027 5.005 -0.978 1 1 36 . 11 1 1 A 10 10 THR C C 10 175.380 173.516 1.864 1 1 37 . 11 1 1 A 10 10 THR CA C 10 62.781 60.250 2.531 1 1 38 . 11 1 1 A 10 10 THR CB C 10 69.617 72.145 -2.528 1 1 40 . 11 1 1 A 10 10 THR N N 10 115.079 117.775 -2.696 1 1 41 . 11 1 1 A 11 11 VAL H H 11 9.280 8.743 0.537 1 1 42 . 11 1 1 A 11 11 VAL HA H 11 4.097 4.129 -0.032 1 1 50 . 11 1 1 A 11 11 VAL C C 11 175.706 176.334 -0.628 1 1 51 . 11 1 1 A 11 11 VAL CA C 11 61.518 61.413 0.105 1 1 52 . 11 1 1 A 11 11 VAL CB C 11 33.174 32.168 1.006 1 1 55 . 11 1 1 A 11 11 VAL N N 11 131.182 127.654 3.528 1 1 56 . 11 1 1 A 12 12 PRO HA H 12 4.415 4.479 -0.064 1 1 63 . 11 1 1 A 12 12 PRO C C 12 175.612 176.321 -0.709 1 1 64 . 11 1 1 A 12 12 PRO CA C 12 64.850 64.800 0.050 1 1 65 . 11 1 1 A 12 12 PRO CB C 12 32.578 32.280 0.298 1 1 68 . 11 1 1 A 13 13 ILE H H 13 7.251 7.556 -0.305 1 1 69 . 11 1 1 A 13 13 ILE HA H 13 4.439 4.620 -0.181 1 1 79 . 11 1 1 A 13 13 ILE C C 13 170.969 173.396 -2.427 1 1 80 . 11 1 1 A 13 13 ILE CA C 13 59.973 59.351 0.622 1 1 81 . 11 1 1 A 13 13 ILE CB C 13 40.776 41.802 -1.026 1 1 85 . 11 1 1 A 13 13 ILE N N 13 115.827 115.947 -0.120 1 1 86 . 11 1 1 A 14 14 MET H H 14 6.827 8.745 -1.918 1 1 87 . 11 1 1 A 14 14 MET HA H 14 4.961 5.386 -0.425 1 1 95 . 11 1 1 A 14 14 MET C C 14 173.380 174.517 -1.137 1 1 96 . 11 1 1 A 14 14 MET CA C 14 55.214 53.982 1.232 1 1 97 . 11 1 1 A 14 14 MET CB C 14 38.223 35.146 3.077 1 1 100 . 11 1 1 A 14 14 MET N N 14 116.754 125.880 -9.126 1 1 101 . 11 1 1 A 15 15 HIS H H 15 9.417 9.165 0.252 1 1 102 . 11 1 1 A 15 15 HIS HA H 15 4.958 5.172 -0.214 1 1 107 . 11 1 1 A 15 15 HIS C C 15 173.901 174.342 -0.441 1 1 108 . 11 1 1 A 15 15 HIS CA C 15 55.190 54.332 0.858 1 1 109 . 11 1 1 A 15 15 HIS CB C 15 33.361 32.751 0.610 1 1 112 . 11 1 1 A 15 15 HIS N N 15 118.539 119.292 -0.753 1 1 113 . 11 1 1 A 16 16 GLN H H 16 9.164 8.932 0.232 1 1 114 . 11 1 1 A 16 16 GLN HA H 16 4.385 4.290 0.095 1 1 121 . 11 1 1 A 16 16 GLN C C 16 175.463 175.146 0.317 1 1 122 . 11 1 1 A 16 16 GLN CA C 16 55.992 56.128 -0.136 1 1 123 . 11 1 1 A 16 16 GLN CB C 16 29.159 29.840 -0.681 1 1 125 . 11 1 1 A 16 16 GLN N N 16 123.267 124.523 -1.256 1 1 127 . 11 1 1 A 17 17 VAL H H 17 8.983 8.988 -0.005 1 1 128 . 11 1 1 A 17 17 VAL HA H 17 3.910 4.125 -0.215 1 1 136 . 11 1 1 A 17 17 VAL C C 17 176.328 175.827 0.501 1 1 137 . 11 1 1 A 17 17 VAL CA C 17 63.807 63.486 0.321 1 1 138 . 11 1 1 A 17 17 VAL CB C 17 33.088 32.982 0.106 1 1 141 . 11 1 1 A 17 17 VAL N N 17 128.880 127.346 1.534 1 1 142 . 11 1 1 A 18 18 SER H H 18 7.740 7.685 0.055 1 1 143 . 11 1 1 A 18 18 SER HA H 18 4.589 4.902 -0.313 1 1 146 . 11 1 1 A 18 18 SER C C 18 171.965 172.179 -0.214 1 1 147 . 11 1 1 A 18 18 SER CA C 18 57.441 57.959 -0.518 1 1 148 . 11 1 1 A 18 18 SER CB C 18 64.058 67.384 -3.326 1 1 149 . 11 1 1 A 18 18 SER N N 18 110.447 113.518 -3.071 1 1 150 . 11 1 1 A 19 19 ALA H H 19 8.114 8.481 -0.367 1 1 151 . 11 1 1 A 19 19 ALA HA H 19 5.086 4.878 0.208 1 1 155 . 11 1 1 A 19 19 ALA C C 19 176.404 176.298 0.106 1 1 156 . 11 1 1 A 19 19 ALA CA C 19 52.453 51.436 1.017 1 1 157 . 11 1 1 A 19 19 ALA CB C 19 23.038 23.664 -0.626 1 1 158 . 11 1 1 A 19 19 ALA N N 19 121.116 123.205 -2.089 1 1 159 . 11 1 1 A 20 20 THR H H 20 8.710 8.721 -0.011 1 1 160 . 11 1 1 A 20 20 THR HA H 20 4.787 4.901 -0.114 1 1 165 . 11 1 1 A 20 20 THR C C 20 175.596 174.381 1.215 1 1 166 . 11 1 1 A 20 20 THR CA C 20 60.341 60.206 0.135 1 1 167 . 11 1 1 A 20 20 THR CB C 20 71.307 72.234 -0.927 1 1 169 . 11 1 1 A 20 20 THR N N 20 110.762 109.592 1.170 1 1 170 . 11 1 1 A 21 21 MET H H 21 8.686 8.679 0.007 1 1 171 . 11 1 1 A 21 21 MET HA H 21 4.618 4.476 0.142 1 1 179 . 11 1 1 A 21 21 MET C C 21 174.754 176.595 -1.841 1 1 180 . 11 1 1 A 21 21 MET CA C 21 59.272 56.907 2.365 1 1 181 . 11 1 1 A 21 21 MET CB C 21 34.488 33.039 1.449 1 1 184 . 11 1 1 A 21 21 MET N N 21 118.478 119.400 -0.922 1 1 185 . 11 1 1 A 22 22 ARG H H 22 7.296 7.545 -0.249 1 1 186 . 11 1 1 A 22 22 ARG HA H 22 4.453 4.530 -0.077 1 1 193 . 11 1 1 A 22 22 ARG C C 22 174.722 174.759 -0.037 1 1 194 . 11 1 1 A 22 22 ARG CA C 22 54.218 55.288 -1.070 1 1 195 . 11 1 1 A 22 22 ARG CB C 22 32.509 31.806 0.703 1 1 198 . 11 1 1 A 22 22 ARG N N 22 108.176 117.491 -9.315 1 1 199 . 11 1 1 A 23 23 SER H H 23 7.387 7.767 -0.380 1 1 200 . 11 1 1 A 23 23 SER HA H 23 5.353 4.872 0.481 1 1 203 . 11 1 1 A 23 23 SER C C 23 171.910 172.139 -0.229 1 1 204 . 11 1 1 A 23 23 SER CA C 23 57.230 56.840 0.390 1 1 205 . 11 1 1 A 23 23 SER CB C 23 68.011 64.570 3.441 1 1 206 . 11 1 1 A 23 23 SER N N 23 114.861 112.916 1.945 1 1 207 . 11 1 1 A 24 24 ILE H H 24 8.061 8.474 -0.413 1 1 208 . 11 1 1 A 24 24 ILE HA H 24 4.470 4.724 -0.254 1 1 218 . 11 1 1 A 24 24 ILE C C 24 174.028 174.426 -0.398 1 1 219 . 11 1 1 A 24 24 ILE CA C 24 61.402 60.206 1.196 1 1 220 . 11 1 1 A 24 24 ILE CB C 24 43.249 41.176 2.073 1 1 224 . 11 1 1 A 24 24 ILE N N 24 116.152 122.403 -6.251 1 1 225 . 11 1 1 A 25 25 THR H H 25 8.584 8.919 -0.335 1 1 226 . 11 1 1 A 25 25 THR HA H 25 5.107 4.969 0.138 1 1 231 . 11 1 1 A 25 25 THR C C 25 173.463 173.472 -0.009 1 1 232 . 11 1 1 A 25 25 THR CA C 25 62.127 61.351 0.776 1 1 233 . 11 1 1 A 25 25 THR CB C 25 68.954 70.716 -1.762 1 1 235 . 11 1 1 A 25 25 THR N N 25 122.080 123.609 -1.529 1 1 236 . 11 1 1 A 26 26 LEU H H 26 9.093 8.690 0.403 1 1 237 . 11 1 1 A 26 26 LEU HA H 26 5.427 4.893 0.534 1 1 247 . 11 1 1 A 26 26 LEU C C 26 175.180 175.567 -0.387 1 1 248 . 11 1 1 A 26 26 LEU CA C 26 53.181 53.359 -0.178 1 1 249 . 11 1 1 A 26 26 LEU CB C 26 46.902 46.788 0.114 1 1 253 . 11 1 1 A 26 26 LEU N N 26 128.231 126.021 2.210 1 1 254 . 11 1 1 A 27 27 SER H H 27 9.260 8.696 0.564 1 1 255 . 11 1 1 A 27 27 SER HA H 27 4.757 4.724 0.033 1 1 258 . 11 1 1 A 27 27 SER C C 27 172.413 173.337 -0.924 1 1 259 . 11 1 1 A 27 27 SER CA C 27 56.912 57.510 -0.598 1 1 260 . 11 1 1 A 27 27 SER CB C 27 66.220 66.064 0.156 1 1 261 . 11 1 1 A 27 27 SER N N 27 115.325 116.256 -0.931 1 1 262 . 11 1 1 A 28 28 TRP H H 28 7.430 7.863 -0.433 1 1 263 . 11 1 1 A 28 28 TRP HA H 28 5.212 5.708 -0.496 1 1 272 . 11 1 1 A 28 28 TRP C C 28 171.555 174.047 -2.492 1 1 273 . 11 1 1 A 28 28 TRP CA C 28 55.143 54.378 0.765 1 1 274 . 11 1 1 A 28 28 TRP CB C 28 28.918 32.501 -3.583 1 1 280 . 11 1 1 A 28 28 TRP N N 28 119.703 123.070 -3.367 1 1 282 . 11 1 1 A 29 29 PRO HA H 29 4.543 4.560 -0.017 1 1 289 . 11 1 1 A 29 29 PRO C C 29 175.962 176.183 -0.221 1 1 290 . 11 1 1 A 29 29 PRO CA C 29 61.702 62.926 -1.224 1 1 291 . 11 1 1 A 29 29 PRO CB C 29 32.041 31.994 0.047 1 1 294 . 11 1 1 A 30 30 GLN H H 30 8.248 8.531 -0.283 1 1 295 . 11 1 1 A 30 30 GLN HA H 30 4.654 4.606 0.048 1 1 302 . 11 1 1 A 30 30 GLN C C 30 174.856 175.162 -0.306 1 1 303 . 11 1 1 A 30 30 GLN CA C 30 54.524 53.968 0.556 1 1 304 . 11 1 1 A 30 30 GLN CB C 30 28.623 29.728 -1.105 1 1 306 . 11 1 1 A 30 30 GLN N N 30 117.321 121.507 -4.186 1 1 308 . 11 1 1 A 31 31 PRO HA H 31 4.116 4.790 -0.674 1 1 315 . 11 1 1 A 31 31 PRO C C 31 175.787 176.861 -1.074 1 1 316 . 11 1 1 A 31 31 PRO CA C 31 63.364 62.754 0.610 1 1 317 . 11 1 1 A 31 31 PRO CB C 31 32.503 33.586 -1.083 1 1 320 . 11 1 1 A 32 32 GLU H H 32 8.367 9.057 -0.690 1 1 321 . 11 1 1 A 32 32 GLU HA H 32 4.004 4.631 -0.627 1 1 326 . 11 1 1 A 32 32 GLU C C 32 176.748 176.928 -0.180 1 1 327 . 11 1 1 A 32 32 GLU CA C 32 58.644 56.713 1.931 1 1 328 . 11 1 1 A 32 32 GLU CB C 32 30.271 31.352 -1.081 1 1 330 . 11 1 1 A 32 32 GLU N N 32 122.959 119.472 3.487 1 1 331 . 11 1 1 A 33 33 GLN H H 33 8.220 7.736 0.484 1 1 332 . 11 1 1 A 33 33 GLN HA H 33 4.820 4.849 -0.029 1 1 339 . 11 1 1 A 33 33 GLN C C 33 172.938 174.330 -1.392 1 1 340 . 11 1 1 A 33 33 GLN CA C 33 52.544 53.597 -1.053 1 1 341 . 11 1 1 A 33 33 GLN CB C 33 29.077 29.186 -0.109 1 1 343 . 11 1 1 A 33 33 GLN N N 33 116.413 119.052 -2.639 1 1 345 . 11 1 1 A 34 34 PRO HA H 34 4.039 4.409 -0.370 1 1 352 . 11 1 1 A 34 34 PRO C C 34 175.293 176.644 -1.351 1 1 353 . 11 1 1 A 34 34 PRO CA C 34 64.248 63.691 0.557 1 1 354 . 11 1 1 A 34 34 PRO CB C 34 31.974 32.129 -0.155 1 1 357 . 11 1 1 A 35 35 ASN H H 35 8.478 8.110 0.368 1 1 358 . 11 1 1 A 35 35 ASN HA H 35 4.270 4.380 -0.110 1 1 363 . 11 1 1 A 35 35 ASN C C 35 173.982 174.554 -0.572 1 1 364 . 11 1 1 A 35 35 ASN CA C 35 53.655 54.529 -0.874 1 1 365 . 11 1 1 A 35 35 ASN CB C 35 37.151 37.053 0.098 1 1 366 . 11 1 1 A 35 35 ASN N N 35 111.907 115.481 -3.574 1 1 368 . 11 1 1 A 36 36 GLY H H 36 7.537 8.091 -0.554 1 1 369 . 11 1 1 A 36 36 GLY HA2 H 36 4.247 4.045 0.202 1 1 370 . 11 1 1 A 36 36 GLY HA3 H 36 3.749 4.055 -0.306 1 1 371 . 11 1 1 A 36 36 GLY C C 36 172.062 172.116 -0.054 1 1 372 . 11 1 1 A 36 36 GLY CA C 36 44.147 44.393 -0.246 1 1 373 . 11 1 1 A 36 36 GLY N N 36 105.149 106.298 -1.149 1 1 374 . 11 1 1 A 37 37 ILE H H 37 8.107 8.265 -0.158 1 1 375 . 11 1 1 A 37 37 ILE HA H 37 4.017 4.374 -0.357 1 1 385 . 11 1 1 A 37 37 ILE C C 37 176.534 175.800 0.734 1 1 386 . 11 1 1 A 37 37 ILE CA C 37 60.331 60.781 -0.450 1 1 387 . 11 1 1 A 37 37 ILE CB C 37 38.929 38.431 0.498 1 1 391 . 11 1 1 A 37 37 ILE N N 37 120.104 121.428 -1.324 1 1 392 . 11 1 1 A 38 38 ILE H H 38 8.678 8.724 -0.046 1 1 393 . 11 1 1 A 38 38 ILE HA H 38 3.695 3.907 -0.212 1 1 403 . 11 1 1 A 38 38 ILE C C 38 176.027 175.212 0.815 1 1 404 . 11 1 1 A 38 38 ILE CA C 38 61.811 61.823 -0.012 1 1 405 . 11 1 1 A 38 38 ILE CB C 38 37.028 36.964 0.064 1 1 409 . 11 1 1 A 38 38 ILE N N 38 127.591 128.990 -1.399 1 1 410 . 11 1 1 A 39 39 LEU H H 39 9.054 8.374 0.680 1 1 411 . 11 1 1 A 39 39 LEU HA H 39 4.188 4.072 0.116 1 1 421 . 11 1 1 A 39 39 LEU C C 39 176.826 176.693 0.133 1 1 422 . 11 1 1 A 39 39 LEU CA C 39 56.416 56.853 -0.437 1 1 423 . 11 1 1 A 39 39 LEU CB C 39 42.664 42.315 0.349 1 1 427 . 11 1 1 A 39 39 LEU N N 39 130.577 129.702 0.875 1 1 428 . 11 1 1 A 40 40 ASP H H 40 7.502 7.617 -0.115 1 1 429 . 11 1 1 A 40 40 ASP HA H 40 4.392 5.103 -0.711 1 1 432 . 11 1 1 A 40 40 ASP C C 40 171.781 173.802 -2.021 1 1 433 . 11 1 1 A 40 40 ASP CA C 40 52.884 52.679 0.205 1 1 434 . 11 1 1 A 40 40 ASP CB C 40 41.985 45.234 -3.249 1 1 435 . 11 1 1 A 40 40 ASP N N 40 112.731 115.871 -3.140 1 1 436 . 11 1 1 A 41 41 TYR H H 41 8.974 8.961 0.013 1 1 437 . 11 1 1 A 41 41 TYR HA H 41 5.379 5.290 0.089 1 1 444 . 11 1 1 A 41 41 TYR C C 41 175.555 174.637 0.918 1 1 445 . 11 1 1 A 41 41 TYR CA C 41 56.574 56.896 -0.322 1 1 446 . 11 1 1 A 41 41 TYR CB C 41 42.213 41.657 0.556 1 1 449 . 11 1 1 A 41 41 TYR N N 41 111.324 117.636 -6.312 1 1 450 . 11 1 1 A 42 42 GLU H H 42 9.184 9.210 -0.026 1 1 451 . 11 1 1 A 42 42 GLU HA H 42 5.066 4.935 0.131 1 1 456 . 11 1 1 A 42 42 GLU C C 42 174.368 175.336 -0.968 1 1 457 . 11 1 1 A 42 42 GLU CA C 42 55.126 56.009 -0.883 1 1 458 . 11 1 1 A 42 42 GLU CB C 42 33.471 31.179 2.292 1 1 460 . 11 1 1 A 42 42 GLU N N 42 120.875 124.789 -3.914 1 1 461 . 11 1 1 A 43 43 ILE H H 43 9.355 8.842 0.513 1 1 462 . 11 1 1 A 43 43 ILE HA H 43 4.853 5.173 -0.320 1 1 472 . 11 1 1 A 43 43 ILE C C 43 174.430 174.520 -0.090 1 1 473 . 11 1 1 A 43 43 ILE CA C 43 60.323 60.329 -0.006 1 1 474 . 11 1 1 A 43 43 ILE CB C 43 40.297 41.167 -0.870 1 1 478 . 11 1 1 A 43 43 ILE N N 43 126.045 126.200 -0.155 1 1 479 . 11 1 1 A 44 44 ARG H H 44 9.097 9.193 -0.096 1 1 480 . 11 1 1 A 44 44 ARG HA H 44 5.545 5.469 0.076 1 1 487 . 11 1 1 A 44 44 ARG C C 44 175.523 174.193 1.330 1 1 488 . 11 1 1 A 44 44 ARG CA C 44 54.386 54.307 0.079 1 1 489 . 11 1 1 A 44 44 ARG CB C 44 34.638 32.980 1.658 1 1 492 . 11 1 1 A 44 44 ARG N N 44 127.831 129.326 -1.495 1 1 493 . 11 1 1 A 45 45 TYR H H 45 8.893 8.626 0.267 1 1 494 . 11 1 1 A 45 45 TYR HA H 45 6.272 6.016 0.256 1 1 501 . 11 1 1 A 45 45 TYR C C 45 173.560 172.968 0.592 1 1 502 . 11 1 1 A 45 45 TYR CA C 45 54.767 55.284 -0.517 1 1 503 . 11 1 1 A 45 45 TYR CB C 45 43.168 42.241 0.927 1 1 508 . 11 1 1 A 45 45 TYR N N 45 123.683 123.130 0.553 1 1 509 . 11 1 1 A 46 46 TYR H H 46 8.479 8.283 0.196 1 1 510 . 11 1 1 A 46 46 TYR HA H 46 5.048 5.228 -0.180 1 1 517 . 11 1 1 A 46 46 TYR C C 46 173.870 174.393 -0.523 1 1 518 . 11 1 1 A 46 46 TYR CA C 46 55.485 55.552 -0.067 1 1 519 . 11 1 1 A 46 46 TYR CB C 46 39.975 41.016 -1.041 1 1 524 . 11 1 1 A 46 46 TYR N N 46 114.778 117.581 -2.803 1 1 525 . 11 1 1 A 47 47 GLU H H 47 9.111 8.703 0.408 1 1 526 . 11 1 1 A 47 47 GLU HA H 47 3.819 4.035 -0.216 1 1 531 . 11 1 1 A 47 47 GLU C C 47 177.764 177.810 -0.046 1 1 532 . 11 1 1 A 47 47 GLU CA C 47 57.123 57.001 0.122 1 1 533 . 11 1 1 A 47 47 GLU CB C 47 29.773 29.736 0.037 1 1 535 . 11 1 1 A 47 47 GLU N N 47 122.069 120.793 1.276 1 1 536 . 11 1 1 A 48 48 LYS H H 48 8.246 8.308 -0.062 1 1 537 . 11 1 1 A 48 48 LYS HA H 48 3.722 4.038 -0.316 1 1 546 . 11 1 1 A 48 48 LYS C C 48 176.588 177.585 -0.997 1 1 547 . 11 1 1 A 48 48 LYS CA C 48 59.774 58.769 1.005 1 1 548 . 11 1 1 A 48 48 LYS CB C 48 33.032 32.439 0.593 1 1 552 . 11 1 1 A 48 48 LYS N N 48 122.857 124.623 -1.766 1 1 553 . 11 1 1 A 49 49 GLU H H 49 8.192 7.799 0.393 1 1 554 . 11 1 1 A 49 49 GLU HA H 49 4.216 4.495 -0.279 1 1 559 . 11 1 1 A 49 49 GLU C C 49 176.987 175.899 1.088 1 1 560 . 11 1 1 A 49 49 GLU CA C 49 57.447 56.270 1.177 1 1 561 . 11 1 1 A 49 49 GLU CB C 49 28.987 30.094 -1.107 1 1 563 . 11 1 1 A 49 49 GLU N N 49 114.305 116.637 -2.332 1 1 564 . 11 1 1 A 50 50 HIS H H 50 8.329 8.149 0.180 1 1 565 . 11 1 1 A 50 50 HIS HA H 50 4.928 5.036 -0.108 1 1 570 . 11 1 1 A 50 50 HIS C C 50 173.255 174.201 -0.946 1 1 571 . 11 1 1 A 50 50 HIS CA C 50 54.372 54.971 -0.599 1 1 572 . 11 1 1 A 50 50 HIS CB C 50 31.082 34.412 -3.330 1 1 575 . 11 1 1 A 50 50 HIS N N 50 120.021 118.196 1.825 1 1 576 . 11 1 1 A 51 51 ASN H H 51 7.687 8.349 -0.662 1 1 577 . 11 1 1 A 51 51 ASN HA H 51 4.259 4.780 -0.521 1 1 582 . 11 1 1 A 51 51 ASN C C 51 174.779 176.417 -1.638 1 1 583 . 11 1 1 A 51 51 ASN CA C 51 52.561 50.540 2.021 1 1 584 . 11 1 1 A 51 51 ASN CB C 51 39.474 40.155 -0.681 1 1 585 . 11 1 1 A 51 51 ASN N N 51 114.158 117.554 -3.396 1 1 587 . 11 1 1 A 52 52 GLU H H 52 8.551 8.664 -0.113 1 1 588 . 11 1 1 A 52 52 GLU HA H 52 2.797 3.892 -1.095 1 1 593 . 11 1 1 A 52 52 GLU C C 52 177.117 178.468 -1.351 1 1 594 . 11 1 1 A 52 52 GLU CA C 52 58.155 59.091 -0.936 1 1 595 . 11 1 1 A 52 52 GLU CB C 52 28.912 28.987 -0.075 1 1 597 . 11 1 1 A 52 52 GLU N N 52 117.019 118.880 -1.861 1 1 598 . 11 1 1 A 53 53 PHE H H 53 7.855 8.203 -0.348 1 1 599 . 11 1 1 A 53 53 PHE HA H 53 4.371 3.989 0.382 1 1 607 . 11 1 1 A 53 53 PHE C C 53 175.783 177.027 -1.244 1 1 608 . 11 1 1 A 53 53 PHE CA C 53 58.785 61.882 -3.097 1 1 609 . 11 1 1 A 53 53 PHE CB C 53 37.747 39.282 -1.535 1 1 615 . 11 1 1 A 53 53 PHE N N 53 119.462 121.292 -1.830 1 1 616 . 11 1 1 A 54 54 ASN H H 54 7.744 7.730 0.014 1 1 617 . 11 1 1 A 54 54 ASN HA H 54 4.948 4.791 0.157 1 1 622 . 11 1 1 A 54 54 ASN C C 54 173.922 173.475 0.447 1 1 623 . 11 1 1 A 54 54 ASN CA C 54 52.102 52.463 -0.361 1 1 624 . 11 1 1 A 54 54 ASN CB C 54 38.637 36.750 1.887 1 1 625 . 11 1 1 A 54 54 ASN N N 54 120.451 116.819 3.632 1 1 627 . 11 1 1 A 55 55 SER H H 55 7.469 7.738 -0.269 1 1 628 . 11 1 1 A 55 55 SER HA H 55 4.710 5.222 -0.512 1 1 631 . 11 1 1 A 55 55 SER C C 55 173.922 172.480 1.442 1 1 632 . 11 1 1 A 55 55 SER CA C 55 57.883 57.181 0.702 1 1 633 . 11 1 1 A 55 55 SER CB C 55 66.064 66.603 -0.539 1 1 634 . 11 1 1 A 55 55 SER N N 55 113.429 118.704 -5.275 1 1 635 . 11 1 1 A 56 56 SER H H 56 8.458 8.652 -0.194 1 1 636 . 11 1 1 A 56 56 SER HA H 56 4.632 5.295 -0.663 1 1 639 . 11 1 1 A 56 56 SER C C 56 171.119 173.062 -1.943 1 1 640 . 11 1 1 A 56 56 SER CA C 56 57.866 56.583 1.283 1 1 641 . 11 1 1 A 56 56 SER CB C 56 65.164 65.344 -0.180 1 1 642 . 11 1 1 A 56 56 SER N N 56 116.653 117.768 -1.115 1 1 643 . 11 1 1 A 57 57 MET H H 57 8.355 8.685 -0.330 1 1 644 . 11 1 1 A 57 57 MET HA H 57 5.776 5.795 -0.019 1 1 652 . 11 1 1 A 57 57 MET C C 57 175.771 175.045 0.726 1 1 653 . 11 1 1 A 57 57 MET CA C 57 53.913 53.670 0.243 1 1 654 . 11 1 1 A 57 57 MET CB C 57 36.115 36.634 -0.519 1 1 657 . 11 1 1 A 57 57 MET N N 57 119.463 122.978 -3.515 1 1 658 . 11 1 1 A 58 58 ALA H H 58 9.547 8.636 0.911 1 1 659 . 11 1 1 A 58 58 ALA HA H 58 4.890 4.982 -0.092 1 1 663 . 11 1 1 A 58 58 ALA C C 58 175.328 176.198 -0.870 1 1 664 . 11 1 1 A 58 58 ALA CA C 58 50.829 51.823 -0.994 1 1 665 . 11 1 1 A 58 58 ALA CB C 58 22.649 22.738 -0.089 1 1 666 . 11 1 1 A 58 58 ALA N N 58 127.410 121.873 5.537 1 1 667 . 11 1 1 A 59 59 ARG H H 59 8.776 8.814 -0.038 1 1 668 . 11 1 1 A 59 59 ARG HA H 59 5.567 5.041 0.526 1 1 675 . 11 1 1 A 59 59 ARG C C 59 176.336 175.397 0.939 1 1 676 . 11 1 1 A 59 59 ARG CA C 59 54.843 55.751 -0.908 1 1 677 . 11 1 1 A 59 59 ARG CB C 59 33.691 32.238 1.453 1 1 680 . 11 1 1 A 59 59 ARG N N 59 119.945 123.647 -3.702 1 1 681 . 11 1 1 A 60 60 SER H H 60 8.919 8.323 0.596 1 1 682 . 11 1 1 A 60 60 SER HA H 60 5.011 5.288 -0.277 1 1 685 . 11 1 1 A 60 60 SER C C 60 174.614 173.591 1.023 1 1 686 . 11 1 1 A 60 60 SER CA C 60 56.752 56.927 -0.175 1 1 687 . 11 1 1 A 60 60 SER CB C 60 66.198 65.525 0.673 1 1 688 . 11 1 1 A 60 60 SER N N 60 115.274 115.851 -0.577 1 1 689 . 11 1 1 A 61 61 GLN H H 61 9.367 8.813 0.554 1 1 690 . 11 1 1 A 61 61 GLN HA H 61 4.556 4.911 -0.355 1 1 697 . 11 1 1 A 61 61 GLN C C 61 175.391 175.196 0.195 1 1 698 . 11 1 1 A 61 61 GLN CA C 61 57.664 56.440 1.224 1 1 699 . 11 1 1 A 61 61 GLN CB C 61 29.763 29.412 0.351 1 1 701 . 11 1 1 A 61 61 GLN N N 61 124.808 123.801 1.007 1 1 703 . 11 1 1 A 62 62 THR H H 62 8.075 7.616 0.459 1 1 704 . 11 1 1 A 62 62 THR HA H 62 4.918 4.581 0.337 1 1 709 . 11 1 1 A 62 62 THR C C 62 173.106 172.985 0.121 1 1 710 . 11 1 1 A 62 62 THR CA C 62 59.369 60.344 -0.975 1 1 711 . 11 1 1 A 62 62 THR CB C 62 70.607 69.341 1.266 1 1 713 . 11 1 1 A 62 62 THR N N 62 110.260 113.808 -3.548 1 1 714 . 11 1 1 A 63 63 ASN H H 63 8.575 8.268 0.307 1 1 715 . 11 1 1 A 63 63 ASN HA H 63 3.457 3.772 -0.315 1 1 720 . 11 1 1 A 63 63 ASN C C 63 172.343 173.358 -1.015 1 1 721 . 11 1 1 A 63 63 ASN CA C 63 53.270 53.043 0.227 1 1 722 . 11 1 1 A 63 63 ASN CB C 63 34.441 37.929 -3.488 1 1 723 . 11 1 1 A 63 63 ASN N N 63 119.090 121.184 -2.094 1 1 725 . 11 1 1 A 64 64 THR H H 64 6.850 7.168 -0.318 1 1 726 . 11 1 1 A 64 64 THR HA H 64 4.296 4.168 0.128 1 1 731 . 11 1 1 A 64 64 THR C C 64 172.238 172.767 -0.529 1 1 732 . 11 1 1 A 64 64 THR CA C 64 60.501 59.890 0.611 1 1 733 . 11 1 1 A 64 64 THR CB C 64 71.252 70.967 0.285 1 1 735 . 11 1 1 A 64 64 THR N N 64 111.612 114.080 -2.468 1 1 736 . 11 1 1 A 65 65 ALA H H 65 8.619 8.814 -0.195 1 1 737 . 11 1 1 A 65 65 ALA HA H 65 4.595 5.036 -0.441 1 1 741 . 11 1 1 A 65 65 ALA C C 65 174.046 174.818 -0.772 1 1 742 . 11 1 1 A 65 65 ALA CA C 65 52.102 51.264 0.838 1 1 743 . 11 1 1 A 65 65 ALA CB C 65 22.427 23.013 -0.586 1 1 744 . 11 1 1 A 65 65 ALA N N 65 124.370 130.644 -6.274 1 1 745 . 11 1 1 A 66 66 ARG H H 66 8.533 8.695 -0.162 1 1 746 . 11 1 1 A 66 66 ARG HA H 66 4.973 4.971 0.002 1 1 753 . 11 1 1 A 66 66 ARG C C 66 175.240 174.902 0.338 1 1 754 . 11 1 1 A 66 66 ARG CA C 66 54.560 54.989 -0.429 1 1 755 . 11 1 1 A 66 66 ARG CB C 66 32.088 31.930 0.158 1 1 758 . 11 1 1 A 66 66 ARG N N 66 122.633 122.430 0.203 1 1 759 . 11 1 1 A 67 67 ILE H H 67 8.967 9.157 -0.190 1 1 760 . 11 1 1 A 67 67 ILE HA H 67 4.013 4.483 -0.470 1 1 770 . 11 1 1 A 67 67 ILE C C 67 174.026 174.729 -0.703 1 1 771 . 11 1 1 A 67 67 ILE CA C 67 60.377 59.733 0.644 1 1 772 . 11 1 1 A 67 67 ILE CB C 67 38.044 38.028 0.016 1 1 776 . 11 1 1 A 67 67 ILE N N 67 128.560 125.818 2.742 1 1 777 . 11 1 1 A 68 68 ASP H H 68 8.117 8.613 -0.496 1 1 778 . 11 1 1 A 68 68 ASP HA H 68 5.060 5.258 -0.198 1 1 781 . 11 1 1 A 68 68 ASP C C 68 175.792 175.866 -0.074 1 1 782 . 11 1 1 A 68 68 ASP CA C 68 52.474 52.177 0.297 1 1 783 . 11 1 1 A 68 68 ASP CB C 68 44.116 44.017 0.099 1 1 784 . 11 1 1 A 68 68 ASP N N 68 125.243 124.993 0.250 1 1 785 . 11 1 1 A 69 69 GLY H H 69 8.568 8.333 0.235 1 1 786 . 11 1 1 A 69 69 GLY HA2 H 69 3.951 3.927 0.024 1 1 787 . 11 1 1 A 69 69 GLY HA3 H 69 3.830 3.941 -0.111 1 1 788 . 11 1 1 A 69 69 GLY C C 69 175.359 173.958 1.401 1 1 789 . 11 1 1 A 69 69 GLY CA C 69 46.356 46.459 -0.103 1 1 790 . 11 1 1 A 69 69 GLY N N 69 105.736 111.042 -5.306 1 1 791 . 11 1 1 A 70 70 LEU H H 70 7.982 7.274 0.708 1 1 792 . 11 1 1 A 70 70 LEU HA H 70 4.356 4.782 -0.426 1 1 802 . 11 1 1 A 70 70 LEU C C 70 175.151 175.388 -0.237 1 1 803 . 11 1 1 A 70 70 LEU CA C 70 53.110 53.077 0.033 1 1 804 . 11 1 1 A 70 70 LEU CB C 70 40.992 45.153 -4.161 1 1 808 . 11 1 1 A 70 70 LEU N N 70 118.817 119.761 -0.944 1 1 809 . 11 1 1 A 71 71 ARG H H 71 8.148 8.366 -0.218 1 1 810 . 11 1 1 A 71 71 ARG HA H 71 4.922 4.839 0.083 1 1 817 . 11 1 1 A 71 71 ARG C C 71 174.419 173.898 0.521 1 1 818 . 11 1 1 A 71 71 ARG CA C 71 53.534 53.005 0.529 1 1 819 . 11 1 1 A 71 71 ARG CB C 71 32.001 31.265 0.736 1 1 822 . 11 1 1 A 71 71 ARG N N 71 118.182 120.857 -2.675 1 1 823 . 11 1 1 A 72 72 PRO HA H 72 5.168 4.568 0.600 1 1 830 . 11 1 1 A 72 72 PRO C C 72 178.121 177.777 0.344 1 1 831 . 11 1 1 A 72 72 PRO CA C 72 63.416 63.755 -0.339 1 1 832 . 11 1 1 A 72 72 PRO CB C 72 32.908 31.296 1.612 1 1 835 . 11 1 1 A 73 73 GLY H H 73 7.705 9.016 -1.311 1 1 836 . 11 1 1 A 73 73 GLY HA2 H 73 3.856 3.978 -0.122 1 1 837 . 11 1 1 A 73 73 GLY HA3 H 73 3.508 3.985 -0.477 1 1 838 . 11 1 1 A 73 73 GLY C C 73 173.685 173.719 -0.034 1 1 839 . 11 1 1 A 73 73 GLY CA C 73 46.731 46.472 0.259 1 1 840 . 11 1 1 A 73 73 GLY N N 73 112.669 112.277 0.392 1 1 841 . 11 1 1 A 74 74 MET H H 74 7.511 7.350 0.161 1 1 842 . 11 1 1 A 74 74 MET HA H 74 4.742 4.962 -0.220 1 1 850 . 11 1 1 A 74 74 MET C C 74 173.525 174.479 -0.954 1 1 851 . 11 1 1 A 74 74 MET CA C 74 53.216 54.523 -1.307 1 1 852 . 11 1 1 A 74 74 MET CB C 74 33.610 35.928 -2.318 1 1 855 . 11 1 1 A 74 74 MET N N 74 119.820 118.560 1.260 1 1 856 . 11 1 1 A 75 75 VAL H H 75 7.651 8.508 -0.857 1 1 857 . 11 1 1 A 75 75 VAL HA H 75 4.361 4.539 -0.178 1 1 865 . 11 1 1 A 75 75 VAL C C 75 174.677 174.619 0.058 1 1 866 . 11 1 1 A 75 75 VAL CA C 75 61.581 61.928 -0.347 1 1 867 . 11 1 1 A 75 75 VAL CB C 75 32.345 32.079 0.266 1 1 870 . 11 1 1 A 75 75 VAL N N 75 121.287 125.843 -4.556 1 1 871 . 11 1 1 A 76 76 TYR H H 76 9.405 8.950 0.455 1 1 872 . 11 1 1 A 76 76 TYR HA H 76 4.743 5.040 -0.297 1 1 879 . 11 1 1 A 76 76 TYR C C 76 174.740 175.204 -0.464 1 1 880 . 11 1 1 A 76 76 TYR CA C 76 57.424 56.477 0.947 1 1 881 . 11 1 1 A 76 76 TYR CB C 76 41.151 41.085 0.066 1 1 886 . 11 1 1 A 76 76 TYR N N 76 126.231 125.305 0.926 1 1 887 . 11 1 1 A 77 77 VAL H H 77 8.867 8.358 0.509 1 1 888 . 11 1 1 A 77 77 VAL HA H 77 4.318 4.394 -0.076 1 1 896 . 11 1 1 A 77 77 VAL C C 77 175.773 175.399 0.374 1 1 897 . 11 1 1 A 77 77 VAL CA C 77 61.473 62.840 -1.367 1 1 898 . 11 1 1 A 77 77 VAL CB C 77 31.218 30.427 0.791 1 1 901 . 11 1 1 A 77 77 VAL N N 77 123.699 124.555 -0.856 1 1 902 . 11 1 1 A 78 78 VAL H H 78 8.683 8.508 0.175 1 1 903 . 11 1 1 A 78 78 VAL HA H 78 4.995 4.650 0.345 1 1 911 . 11 1 1 A 78 78 VAL C C 78 175.275 175.149 0.126 1 1 912 . 11 1 1 A 78 78 VAL CA C 78 60.942 61.511 -0.569 1 1 913 . 11 1 1 A 78 78 VAL CB C 78 34.790 33.036 1.754 1 1 916 . 11 1 1 A 78 78 VAL N N 78 124.155 128.597 -4.442 1 1 917 . 11 1 1 A 79 79 GLN H H 79 8.613 8.424 0.189 1 1 918 . 11 1 1 A 79 79 GLN HA H 79 4.511 5.002 -0.491 1 1 925 . 11 1 1 A 79 79 GLN C C 79 173.361 174.257 -0.896 1 1 926 . 11 1 1 A 79 79 GLN CA C 79 54.666 53.941 0.725 1 1 927 . 11 1 1 A 79 79 GLN CB C 79 36.751 33.169 3.582 1 1 929 . 11 1 1 A 79 79 GLN N N 79 121.693 124.179 -2.486 1 1 931 . 11 1 1 A 80 80 VAL H H 80 9.019 8.713 0.306 1 1 932 . 11 1 1 A 80 80 VAL HA H 80 5.801 4.968 0.833 1 1 940 . 11 1 1 A 80 80 VAL C C 80 174.526 173.858 0.668 1 1 941 . 11 1 1 A 80 80 VAL CA C 80 58.750 59.866 -1.116 1 1 942 . 11 1 1 A 80 80 VAL CB C 80 35.479 34.433 1.046 1 1 945 . 11 1 1 A 80 80 VAL N N 80 118.559 119.863 -1.304 1 1 946 . 11 1 1 A 81 81 ARG H H 81 9.199 8.779 0.420 1 1 947 . 11 1 1 A 81 81 ARG HA H 81 4.951 5.082 -0.131 1 1 955 . 11 1 1 A 81 81 ARG C C 81 172.660 174.293 -1.633 1 1 956 . 11 1 1 A 81 81 ARG CA C 81 54.295 53.523 0.772 1 1 957 . 11 1 1 A 81 81 ARG CB C 81 33.750 33.856 -0.106 1 1 960 . 11 1 1 A 81 81 ARG N N 81 125.225 126.870 -1.645 1 1 962 . 11 1 1 A 82 82 ALA H H 82 8.762 8.747 0.015 1 1 963 . 11 1 1 A 82 82 ALA HA H 82 4.820 5.267 -0.447 1 1 967 . 11 1 1 A 82 82 ALA C C 82 174.783 175.343 -0.560 1 1 968 . 11 1 1 A 82 82 ALA CA C 82 50.741 50.193 0.548 1 1 969 . 11 1 1 A 82 82 ALA CB C 82 22.383 21.127 1.256 1 1 970 . 11 1 1 A 82 82 ALA N N 82 124.292 122.683 1.609 1 1 971 . 11 1 1 A 83 83 ARG H H 83 8.336 8.384 -0.048 1 1 972 . 11 1 1 A 83 83 ARG HA H 83 4.737 4.940 -0.203 1 1 980 . 11 1 1 A 83 83 ARG C C 83 175.290 174.953 0.337 1 1 981 . 11 1 1 A 83 83 ARG CA C 83 55.727 54.267 1.460 1 1 982 . 11 1 1 A 83 83 ARG CB C 83 34.562 32.824 1.738 1 1 985 . 11 1 1 A 83 83 ARG N N 83 121.023 123.631 -2.608 1 1 987 . 11 1 1 A 84 84 THR H H 84 8.485 8.809 -0.324 1 1 988 . 11 1 1 A 84 84 THR HA H 84 4.875 4.834 0.041 1 1 993 . 11 1 1 A 84 84 THR C C 84 176.218 175.253 0.965 1 1 994 . 11 1 1 A 84 84 THR CA C 84 59.475 59.508 -0.033 1 1 995 . 11 1 1 A 84 84 THR CB C 84 72.440 72.341 0.099 1 1 997 . 11 1 1 A 84 84 THR N N 84 116.374 116.762 -0.388 1 1 998 . 11 1 1 A 85 85 VAL H H 85 9.283 8.668 0.615 1 1 999 . 11 1 1 A 85 85 VAL HA H 85 3.794 3.848 -0.054 1 1 1007 . 11 1 1 A 85 85 VAL C C 85 175.930 177.030 -1.100 1 1 1008 . 11 1 1 A 85 85 VAL CA C 85 64.934 64.461 0.473 1 1 1009 . 11 1 1 A 85 85 VAL CB C 85 31.621 31.675 -0.054 1 1 1012 . 11 1 1 A 85 85 VAL N N 85 119.099 122.006 -2.907 1 1 1013 . 11 1 1 A 86 86 ALA H H 86 7.840 7.788 0.052 1 1 1014 . 11 1 1 A 86 86 ALA HA H 86 4.242 4.197 0.045 1 1 1018 . 11 1 1 A 86 86 ALA C C 86 177.467 177.422 0.045 1 1 1019 . 11 1 1 A 86 86 ALA CA C 86 52.774 53.764 -0.990 1 1 1020 . 11 1 1 A 86 86 ALA CB C 86 19.733 20.023 -0.290 1 1 1021 . 11 1 1 A 86 86 ALA N N 86 121.263 122.579 -1.316 1 1 1022 . 11 1 1 A 87 87 GLY H H 87 7.365 7.241 0.124 1 1 1023 . 11 1 1 A 87 87 GLY HA2 H 87 4.402 3.989 0.413 1 1 1024 . 11 1 1 A 87 87 GLY HA3 H 87 3.588 4.043 -0.455 1 1 1025 . 11 1 1 A 87 87 GLY C C 87 171.960 170.971 0.989 1 1 1026 . 11 1 1 A 87 87 GLY CA C 87 44.170 46.154 -1.984 1 1 1027 . 11 1 1 A 87 87 GLY N N 87 105.736 101.979 3.757 1 1 1028 . 11 1 1 A 88 88 TYR H H 88 8.444 8.570 -0.126 1 1 1029 . 11 1 1 A 88 88 TYR HA H 88 5.063 5.101 -0.038 1 1 1036 . 11 1 1 A 88 88 TYR C C 88 179.239 175.999 3.240 1 1 1037 . 11 1 1 A 88 88 TYR CA C 88 58.308 55.794 2.514 1 1 1038 . 11 1 1 A 88 88 TYR CB C 88 41.442 40.412 1.030 1 1 1043 . 11 1 1 A 88 88 TYR N N 88 116.996 120.236 -3.240 1 1 1044 . 11 1 1 A 89 89 GLY H H 89 8.676 8.642 0.034 1 1 1045 . 11 1 1 A 89 89 GLY HA2 H 89 4.324 4.067 0.257 1 1 1046 . 11 1 1 A 89 89 GLY HA3 H 89 3.973 4.085 -0.112 1 1 1047 . 11 1 1 A 89 89 GLY C C 89 173.844 172.927 0.917 1 1 1048 . 11 1 1 A 89 89 GLY CA C 89 43.916 44.456 -0.540 1 1 1049 . 11 1 1 A 89 89 GLY N N 89 107.850 111.741 -3.891 1 1 1050 . 11 1 1 A 90 90 LYS H H 90 8.711 8.373 0.338 1 1 1051 . 11 1 1 A 90 90 LYS HA H 90 4.166 4.253 -0.087 1 1 1060 . 11 1 1 A 90 90 LYS C C 90 177.819 176.157 1.662 1 1 1061 . 11 1 1 A 90 90 LYS CA C 90 56.162 56.139 0.023 1 1 1062 . 11 1 1 A 90 90 LYS CB C 90 32.730 33.491 -0.761 1 1 1066 . 11 1 1 A 90 90 LYS N N 90 119.382 119.761 -0.379 1 1 1067 . 11 1 1 A 91 91 PHE H H 91 8.698 8.820 -0.122 1 1 1068 . 11 1 1 A 91 91 PHE HA H 91 4.241 5.015 -0.774 1 1 1076 . 11 1 1 A 91 91 PHE C C 91 176.805 175.870 0.935 1 1 1077 . 11 1 1 A 91 91 PHE CA C 91 61.027 57.410 3.617 1 1 1078 . 11 1 1 A 91 91 PHE CB C 91 39.995 40.926 -0.931 1 1 1084 . 11 1 1 A 91 91 PHE N N 91 120.691 119.909 0.782 1 1 1085 . 11 1 1 A 92 92 SER H H 92 8.311 8.829 -0.518 1 1 1086 . 11 1 1 A 92 92 SER HA H 92 4.259 4.557 -0.298 1 1 1089 . 11 1 1 A 92 92 SER C C 92 173.499 174.824 -1.325 1 1 1090 . 11 1 1 A 92 92 SER CA C 92 58.146 57.894 0.252 1 1 1091 . 11 1 1 A 92 92 SER CB C 92 65.329 63.890 1.439 1 1 1092 . 11 1 1 A 92 92 SER N N 92 115.098 117.481 -2.383 1 1 1093 . 11 1 1 A 93 93 GLY H H 93 8.869 8.559 0.310 1 1 1094 . 11 1 1 A 93 93 GLY HA2 H 93 4.071 3.986 0.085 1 1 1095 . 11 1 1 A 93 93 GLY HA3 H 93 3.780 4.003 -0.223 1 1 1096 . 11 1 1 A 93 93 GLY C C 93 174.375 173.721 0.654 1 1 1097 . 11 1 1 A 93 93 GLY CA C 93 45.331 45.724 -0.393 1 1 1098 . 11 1 1 A 93 93 GLY N N 93 106.252 108.407 -2.155 1 1 1099 . 11 1 1 A 94 94 LYS H H 94 8.619 8.323 0.296 1 1 1100 . 11 1 1 A 94 94 LYS HA H 94 3.633 4.100 -0.467 1 1 1109 . 11 1 1 A 94 94 LYS C C 94 176.004 175.862 0.142 1 1 1110 . 11 1 1 A 94 94 LYS CA C 94 59.068 56.806 2.262 1 1 1111 . 11 1 1 A 94 94 LYS CB C 94 33.072 32.283 0.789 1 1 1115 . 11 1 1 A 94 94 LYS N N 94 122.645 121.633 1.012 1 1 1116 . 11 1 1 A 95 95 MET H H 95 7.547 8.269 -0.722 1 1 1117 . 11 1 1 A 95 95 MET HA H 95 4.520 4.899 -0.379 1 1 1125 . 11 1 1 A 95 95 MET C C 95 173.400 174.403 -1.003 1 1 1126 . 11 1 1 A 95 95 MET CA C 95 54.701 53.826 0.875 1 1 1127 . 11 1 1 A 95 95 MET CB C 95 37.784 35.434 2.350 1 1 1130 . 11 1 1 A 95 95 MET N N 95 122.392 124.838 -2.446 1 1 1131 . 11 1 1 A 96 96 CYS H H 96 7.888 8.577 -0.689 1 1 1132 . 11 1 1 A 96 96 CYS HA H 96 5.465 5.294 0.171 1 1 1135 . 11 1 1 A 96 96 CYS C C 96 173.757 173.340 0.417 1 1 1136 . 11 1 1 A 96 96 CYS CA C 96 57.353 56.933 0.420 1 1 1137 . 11 1 1 A 96 96 CYS CB C 96 29.941 29.348 0.593 1 1 1138 . 11 1 1 A 96 96 CYS N N 96 117.124 122.767 -5.643 1 1 1139 . 11 1 1 A 97 97 PHE H H 97 9.133 8.958 0.175 1 1 1140 . 11 1 1 A 97 97 PHE HA H 97 4.879 4.995 -0.116 1 1 1148 . 11 1 1 A 97 97 PHE C C 97 173.309 174.809 -1.500 1 1 1149 . 11 1 1 A 97 97 PHE CA C 97 56.983 56.240 0.743 1 1 1150 . 11 1 1 A 97 97 PHE CB C 97 44.074 42.267 1.807 1 1 1156 . 11 1 1 A 97 97 PHE N N 97 121.239 122.032 -0.793 1 1 1157 . 11 1 1 A 98 98 GLN H H 98 8.884 8.854 0.030 1 1 1158 . 11 1 1 A 98 98 GLN HA H 98 5.809 5.258 0.551 1 1 1165 . 11 1 1 A 98 98 GLN C C 98 176.454 175.738 0.716 1 1 1166 . 11 1 1 A 98 98 GLN CA C 98 54.125 54.617 -0.492 1 1 1167 . 11 1 1 A 98 98 GLN CB C 98 33.444 30.905 2.539 1 1 1169 . 11 1 1 A 98 98 GLN N N 98 120.699 121.535 -0.836 1 1 1171 . 11 1 1 A 99 99 THR H H 99 8.176 8.416 -0.240 1 1 1172 . 11 1 1 A 99 99 THR HA H 99 4.324 4.524 -0.200 1 1 1177 . 11 1 1 A 99 99 THR C C 99 175.929 174.214 1.715 1 1 1178 . 11 1 1 A 99 99 THR CA C 99 60.341 61.693 -1.352 1 1 1179 . 11 1 1 A 99 99 THR CB C 99 70.070 71.352 -1.282 1 1 1181 . 11 1 1 A 99 99 THR N N 99 112.214 112.644 -0.430 1 1 1182 . 11 1 1 A 100 100 LEU H H 100 7.368 8.696 -1.328 1 1 1183 . 11 1 1 A 100 100 LEU HA H 100 4.310 4.396 -0.086 1 1 1193 . 11 1 1 A 100 100 LEU C C 100 177.359 176.893 0.466 1 1 1194 . 11 1 1 A 100 100 LEU CA C 100 54.790 55.135 -0.345 1 1 1195 . 11 1 1 A 100 100 LEU CB C 100 42.096 42.289 -0.193 1 1 1199 . 11 1 1 A 100 100 LEU N N 100 117.018 122.575 -5.557 1 1 1200 . 11 1 1 A 101 101 THR H H 101 7.997 8.434 -0.437 1 1 1201 . 11 1 1 A 101 101 THR HA H 101 4.123 4.951 -0.828 1 1 1206 . 11 1 1 A 101 101 THR C C 101 174.014 174.676 -0.662 1 1 1207 . 11 1 1 A 101 101 THR CA C 101 61.968 60.747 1.221 1 1 1208 . 11 1 1 A 101 101 THR CB C 101 70.172 70.108 0.064 1 1 1210 . 11 1 1 A 101 101 THR N N 101 110.428 115.632 -5.204 1 1 1211 . 11 1 1 A 102 102 ASP H H 102 8.320 9.017 -0.697 1 1 1212 . 11 1 1 A 102 102 ASP HA H 102 4.853 4.511 0.342 1 1 1215 . 11 1 1 A 102 102 ASP C C 102 176.204 175.798 0.406 1 1 1216 . 11 1 1 A 102 102 ASP CA C 102 53.694 56.810 -3.116 1 1 1217 . 11 1 1 A 102 102 ASP CB C 102 41.808 41.287 0.521 1 1 1218 . 11 1 1 A 102 102 ASP N N 102 120.693 124.867 -4.174 1 1 1219 . 11 1 1 A 103 103 SER H H 103 8.294 7.853 0.441 1 1 1220 . 11 1 1 A 103 103 SER HA H 103 4.486 5.058 -0.572 1 1 1223 . 11 1 1 A 103 103 SER C C 103 174.875 174.627 0.248 1 1 1224 . 11 1 1 A 103 103 SER CA C 103 58.361 57.668 0.693 1 1 1225 . 11 1 1 A 103 103 SER CB C 103 63.942 65.203 -1.261 1 1 1226 . 11 1 1 A 103 103 SER N N 103 117.442 114.183 3.259 1 1 1227 . 11 1 1 A 104 104 GLY H H 104 8.393 8.528 -0.135 1 1 1228 . 11 1 1 A 104 104 GLY HA2 H 104 4.104 4.135 -0.031 1 1 1229 . 11 1 1 A 104 104 GLY HA3 H 104 4.104 4.136 -0.032 1 1 1230 . 11 1 1 A 104 104 GLY C C 104 172.016 174.662 -2.646 1 1 1231 . 11 1 1 A 104 104 GLY CA C 104 44.800 45.724 -0.924 1 1 1232 . 11 1 1 A 104 104 GLY N N 104 111.065 112.984 -1.919 1 1 1233 . 11 1 1 A 105 105 PRO HA H 105 4.475 4.583 -0.108 1 1 1240 . 11 1 1 A 105 105 PRO C C 105 177.464 176.233 1.231 1 1 1241 . 11 1 1 A 105 105 PRO CA C 105 63.329 63.889 -0.560 1 1 1242 . 11 1 1 A 105 105 PRO CB C 105 32.249 31.701 0.548 1 1 1245 . 11 1 1 A 106 106 SER H H 106 8.514 7.788 0.726 1 1 1246 . 11 1 1 A 106 106 SER HA H 106 4.512 4.425 0.087 1 1 1249 . 11 1 1 A 106 106 SER C C 106 174.735 173.685 1.050 1 1 1250 . 11 1 1 A 106 106 SER CA C 106 58.361 58.270 0.091 1 1 1251 . 11 1 1 A 106 106 SER CB C 106 63.820 63.531 0.289 1 1 1252 . 11 1 1 A 106 106 SER N N 106 116.429 114.990 1.439 1 1 1253 . 11 1 1 A 107 107 SER H H 107 8.329 8.452 -0.123 1 1 1254 . 11 1 1 A 107 107 SER HA H 107 4.512 5.126 -0.614 1 1 1257 . 11 1 1 A 107 107 SER C C 107 174.004 174.068 -0.064 1 1 1258 . 11 1 1 A 107 107 SER CA C 107 58.414 57.296 1.118 1 1 1259 . 11 1 1 A 107 107 SER CB C 107 64.014 66.342 -2.328 1 1 1260 . 11 1 1 A 107 107 SER N N 107 117.919 122.963 -5.044 1 1 1 . 12 1 1 A 6 6 SER HA H 6 4.523 4.458 0.065 1 1 3 . 12 1 1 A 6 6 SER CA C 6 58.535 59.521 -0.986 1 1 4 . 12 1 1 A 6 6 SER CB C 6 64.106 63.863 0.243 1 1 5 . 12 1 1 A 7 7 GLY H H 7 8.202 8.407 -0.205 1 1 6 . 12 1 1 A 7 7 GLY HA2 H 7 3.881 4.266 -0.385 1 1 7 . 12 1 1 A 7 7 GLY HA3 H 7 3.740 4.267 -0.527 1 1 8 . 12 1 1 A 7 7 GLY CA C 7 44.322 45.483 -1.161 1 1 9 . 12 1 1 A 7 7 GLY N N 7 109.573 110.240 -0.667 1 1 10 . 12 1 1 A 8 8 PRO HA H 8 4.641 4.485 0.156 1 1 17 . 12 1 1 A 8 8 PRO C C 8 176.480 176.773 -0.293 1 1 18 . 12 1 1 A 8 8 PRO CA C 8 62.582 62.776 -0.194 1 1 19 . 12 1 1 A 8 8 PRO CB C 8 32.331 32.040 0.291 1 1 22 . 12 1 1 A 9 9 SER H H 9 8.061 8.329 -0.268 1 1 23 . 12 1 1 A 9 9 SER HA H 9 4.374 4.442 -0.068 1 1 26 . 12 1 1 A 9 9 SER C C 9 173.090 173.483 -0.393 1 1 27 . 12 1 1 A 9 9 SER CA C 9 58.754 58.902 -0.148 1 1 28 . 12 1 1 A 9 9 SER CB C 9 63.667 63.611 0.056 1 1 29 . 12 1 1 A 9 9 SER N N 9 115.137 117.577 -2.440 1 1 30 . 12 1 1 A 10 10 THR H H 10 8.359 8.597 -0.238 1 1 31 . 12 1 1 A 10 10 THR HA H 10 4.027 5.074 -1.047 1 1 36 . 12 1 1 A 10 10 THR C C 10 175.380 173.499 1.881 1 1 37 . 12 1 1 A 10 10 THR CA C 10 62.781 59.567 3.214 1 1 38 . 12 1 1 A 10 10 THR CB C 10 69.617 71.711 -2.094 1 1 40 . 12 1 1 A 10 10 THR N N 10 115.079 119.748 -4.669 1 1 41 . 12 1 1 A 11 11 VAL H H 11 9.280 8.612 0.668 1 1 42 . 12 1 1 A 11 11 VAL HA H 11 4.097 4.232 -0.135 1 1 50 . 12 1 1 A 11 11 VAL C C 11 175.706 176.414 -0.708 1 1 51 . 12 1 1 A 11 11 VAL CA C 11 61.518 60.922 0.596 1 1 52 . 12 1 1 A 11 11 VAL CB C 11 33.174 31.945 1.229 1 1 55 . 12 1 1 A 11 11 VAL N N 11 131.182 125.408 5.774 1 1 56 . 12 1 1 A 12 12 PRO HA H 12 4.415 4.478 -0.063 1 1 63 . 12 1 1 A 12 12 PRO C C 12 175.612 176.480 -0.868 1 1 64 . 12 1 1 A 12 12 PRO CA C 12 64.850 65.040 -0.190 1 1 65 . 12 1 1 A 12 12 PRO CB C 12 32.578 32.150 0.428 1 1 68 . 12 1 1 A 13 13 ILE H H 13 7.251 7.644 -0.393 1 1 69 . 12 1 1 A 13 13 ILE HA H 13 4.439 4.708 -0.269 1 1 79 . 12 1 1 A 13 13 ILE C C 13 170.969 173.559 -2.590 1 1 80 . 12 1 1 A 13 13 ILE CA C 13 59.973 59.203 0.770 1 1 81 . 12 1 1 A 13 13 ILE CB C 13 40.776 41.886 -1.110 1 1 85 . 12 1 1 A 13 13 ILE N N 13 115.827 116.253 -0.426 1 1 86 . 12 1 1 A 14 14 MET H H 14 6.827 8.744 -1.917 1 1 87 . 12 1 1 A 14 14 MET HA H 14 4.961 5.599 -0.638 1 1 95 . 12 1 1 A 14 14 MET C C 14 173.380 175.007 -1.627 1 1 96 . 12 1 1 A 14 14 MET CA C 14 55.214 54.378 0.836 1 1 97 . 12 1 1 A 14 14 MET CB C 14 38.223 35.848 2.375 1 1 100 . 12 1 1 A 14 14 MET N N 14 116.754 125.529 -8.775 1 1 101 . 12 1 1 A 15 15 HIS H H 15 9.417 9.308 0.109 1 1 102 . 12 1 1 A 15 15 HIS HA H 15 4.958 5.076 -0.118 1 1 107 . 12 1 1 A 15 15 HIS C C 15 173.901 173.813 0.088 1 1 108 . 12 1 1 A 15 15 HIS CA C 15 55.190 54.694 0.496 1 1 109 . 12 1 1 A 15 15 HIS CB C 15 33.361 33.508 -0.147 1 1 112 . 12 1 1 A 15 15 HIS N N 15 118.539 118.379 0.160 1 1 113 . 12 1 1 A 16 16 GLN H H 16 9.164 8.918 0.246 1 1 114 . 12 1 1 A 16 16 GLN HA H 16 4.385 4.520 -0.135 1 1 121 . 12 1 1 A 16 16 GLN C C 16 175.463 175.238 0.225 1 1 122 . 12 1 1 A 16 16 GLN CA C 16 55.992 55.359 0.633 1 1 123 . 12 1 1 A 16 16 GLN CB C 16 29.159 30.390 -1.231 1 1 125 . 12 1 1 A 16 16 GLN N N 16 123.267 124.063 -0.796 1 1 127 . 12 1 1 A 17 17 VAL H H 17 8.983 8.760 0.223 1 1 128 . 12 1 1 A 17 17 VAL HA H 17 3.910 4.158 -0.248 1 1 136 . 12 1 1 A 17 17 VAL C C 17 176.328 175.657 0.671 1 1 137 . 12 1 1 A 17 17 VAL CA C 17 63.807 63.428 0.379 1 1 138 . 12 1 1 A 17 17 VAL CB C 17 33.088 33.246 -0.158 1 1 141 . 12 1 1 A 17 17 VAL N N 17 128.880 127.087 1.793 1 1 142 . 12 1 1 A 18 18 SER H H 18 7.740 7.218 0.522 1 1 143 . 12 1 1 A 18 18 SER HA H 18 4.589 4.631 -0.042 1 1 146 . 12 1 1 A 18 18 SER C C 18 171.965 172.140 -0.175 1 1 147 . 12 1 1 A 18 18 SER CA C 18 57.441 56.850 0.591 1 1 148 . 12 1 1 A 18 18 SER CB C 18 64.058 64.847 -0.789 1 1 149 . 12 1 1 A 18 18 SER N N 18 110.447 111.473 -1.026 1 1 150 . 12 1 1 A 19 19 ALA H H 19 8.114 8.460 -0.346 1 1 151 . 12 1 1 A 19 19 ALA HA H 19 5.086 4.874 0.212 1 1 155 . 12 1 1 A 19 19 ALA C C 19 176.404 175.936 0.468 1 1 156 . 12 1 1 A 19 19 ALA CA C 19 52.453 51.639 0.814 1 1 157 . 12 1 1 A 19 19 ALA CB C 19 23.038 23.100 -0.062 1 1 158 . 12 1 1 A 19 19 ALA N N 19 121.116 124.279 -3.163 1 1 159 . 12 1 1 A 20 20 THR H H 20 8.710 8.230 0.480 1 1 160 . 12 1 1 A 20 20 THR HA H 20 4.787 4.912 -0.125 1 1 165 . 12 1 1 A 20 20 THR C C 20 175.596 175.520 0.076 1 1 166 . 12 1 1 A 20 20 THR CA C 20 60.341 59.916 0.425 1 1 167 . 12 1 1 A 20 20 THR CB C 20 71.307 71.481 -0.174 1 1 169 . 12 1 1 A 20 20 THR N N 20 110.762 110.708 0.054 1 1 170 . 12 1 1 A 21 21 MET H H 21 8.686 8.635 0.051 1 1 171 . 12 1 1 A 21 21 MET HA H 21 4.618 4.254 0.364 1 1 179 . 12 1 1 A 21 21 MET C C 21 174.754 176.832 -2.078 1 1 180 . 12 1 1 A 21 21 MET CA C 21 59.272 58.739 0.533 1 1 181 . 12 1 1 A 21 21 MET CB C 21 34.488 32.896 1.592 1 1 184 . 12 1 1 A 21 21 MET N N 21 118.478 120.458 -1.980 1 1 185 . 12 1 1 A 22 22 ARG H H 22 7.296 7.759 -0.463 1 1 186 . 12 1 1 A 22 22 ARG HA H 22 4.453 4.470 -0.017 1 1 193 . 12 1 1 A 22 22 ARG C C 22 174.722 174.529 0.193 1 1 194 . 12 1 1 A 22 22 ARG CA C 22 54.218 55.276 -1.058 1 1 195 . 12 1 1 A 22 22 ARG CB C 22 32.509 30.760 1.749 1 1 198 . 12 1 1 A 22 22 ARG N N 22 108.176 116.618 -8.442 1 1 199 . 12 1 1 A 23 23 SER H H 23 7.387 7.711 -0.324 1 1 200 . 12 1 1 A 23 23 SER HA H 23 5.353 5.219 0.134 1 1 203 . 12 1 1 A 23 23 SER C C 23 171.910 172.311 -0.401 1 1 204 . 12 1 1 A 23 23 SER CA C 23 57.230 57.552 -0.322 1 1 205 . 12 1 1 A 23 23 SER CB C 23 68.011 67.152 0.859 1 1 206 . 12 1 1 A 23 23 SER N N 23 114.861 114.372 0.489 1 1 207 . 12 1 1 A 24 24 ILE H H 24 8.061 8.509 -0.448 1 1 208 . 12 1 1 A 24 24 ILE HA H 24 4.470 4.743 -0.273 1 1 218 . 12 1 1 A 24 24 ILE C C 24 174.028 174.405 -0.377 1 1 219 . 12 1 1 A 24 24 ILE CA C 24 61.402 60.157 1.245 1 1 220 . 12 1 1 A 24 24 ILE CB C 24 43.249 41.841 1.408 1 1 224 . 12 1 1 A 24 24 ILE N N 24 116.152 121.528 -5.376 1 1 225 . 12 1 1 A 25 25 THR H H 25 8.584 8.954 -0.370 1 1 226 . 12 1 1 A 25 25 THR HA H 25 5.107 4.893 0.214 1 1 231 . 12 1 1 A 25 25 THR C C 25 173.463 173.956 -0.493 1 1 232 . 12 1 1 A 25 25 THR CA C 25 62.127 62.114 0.013 1 1 233 . 12 1 1 A 25 25 THR CB C 25 68.954 69.608 -0.654 1 1 235 . 12 1 1 A 25 25 THR N N 25 122.080 123.644 -1.564 1 1 236 . 12 1 1 A 26 26 LEU H H 26 9.093 8.658 0.435 1 1 237 . 12 1 1 A 26 26 LEU HA H 26 5.427 5.001 0.426 1 1 247 . 12 1 1 A 26 26 LEU C C 26 175.180 175.174 0.006 1 1 248 . 12 1 1 A 26 26 LEU CA C 26 53.181 53.124 0.057 1 1 249 . 12 1 1 A 26 26 LEU CB C 26 46.902 46.022 0.880 1 1 253 . 12 1 1 A 26 26 LEU N N 26 128.231 127.206 1.025 1 1 254 . 12 1 1 A 27 27 SER H H 27 9.260 8.790 0.470 1 1 255 . 12 1 1 A 27 27 SER HA H 27 4.757 4.807 -0.050 1 1 258 . 12 1 1 A 27 27 SER C C 27 172.413 173.108 -0.695 1 1 259 . 12 1 1 A 27 27 SER CA C 27 56.912 57.299 -0.387 1 1 260 . 12 1 1 A 27 27 SER CB C 27 66.220 65.943 0.277 1 1 261 . 12 1 1 A 27 27 SER N N 27 115.325 112.513 2.812 1 1 262 . 12 1 1 A 28 28 TRP H H 28 7.430 7.968 -0.538 1 1 263 . 12 1 1 A 28 28 TRP HA H 28 5.212 5.279 -0.067 1 1 272 . 12 1 1 A 28 28 TRP C C 28 171.555 173.265 -1.710 1 1 273 . 12 1 1 A 28 28 TRP CA C 28 55.143 55.088 0.055 1 1 274 . 12 1 1 A 28 28 TRP CB C 28 28.918 30.959 -2.041 1 1 280 . 12 1 1 A 28 28 TRP N N 28 119.703 118.978 0.725 1 1 282 . 12 1 1 A 29 29 PRO HA H 29 4.543 4.552 -0.009 1 1 289 . 12 1 1 A 29 29 PRO C C 29 175.962 175.959 0.003 1 1 290 . 12 1 1 A 29 29 PRO CA C 29 61.702 62.578 -0.876 1 1 291 . 12 1 1 A 29 29 PRO CB C 29 32.041 32.719 -0.678 1 1 294 . 12 1 1 A 30 30 GLN H H 30 8.248 8.506 -0.258 1 1 295 . 12 1 1 A 30 30 GLN HA H 30 4.654 4.712 -0.058 1 1 302 . 12 1 1 A 30 30 GLN C C 30 174.856 174.834 0.022 1 1 303 . 12 1 1 A 30 30 GLN CA C 30 54.524 53.671 0.853 1 1 304 . 12 1 1 A 30 30 GLN CB C 30 28.623 30.292 -1.669 1 1 306 . 12 1 1 A 30 30 GLN N N 30 117.321 120.882 -3.561 1 1 308 . 12 1 1 A 31 31 PRO HA H 31 4.116 4.758 -0.642 1 1 315 . 12 1 1 A 31 31 PRO C C 31 175.787 176.883 -1.096 1 1 316 . 12 1 1 A 31 31 PRO CA C 31 63.364 63.025 0.339 1 1 317 . 12 1 1 A 31 31 PRO CB C 31 32.503 33.125 -0.622 1 1 320 . 12 1 1 A 32 32 GLU H H 32 8.367 9.017 -0.650 1 1 321 . 12 1 1 A 32 32 GLU HA H 32 4.004 4.445 -0.441 1 1 326 . 12 1 1 A 32 32 GLU C C 32 176.748 177.060 -0.312 1 1 327 . 12 1 1 A 32 32 GLU CA C 32 58.644 57.184 1.460 1 1 328 . 12 1 1 A 32 32 GLU CB C 32 30.271 30.989 -0.718 1 1 330 . 12 1 1 A 32 32 GLU N N 32 122.959 119.864 3.095 1 1 331 . 12 1 1 A 33 33 GLN H H 33 8.220 7.707 0.513 1 1 332 . 12 1 1 A 33 33 GLN HA H 33 4.820 4.855 -0.035 1 1 339 . 12 1 1 A 33 33 GLN C C 33 172.938 174.314 -1.376 1 1 340 . 12 1 1 A 33 33 GLN CA C 33 52.544 53.501 -0.957 1 1 341 . 12 1 1 A 33 33 GLN CB C 33 29.077 29.220 -0.143 1 1 343 . 12 1 1 A 33 33 GLN N N 33 116.413 118.854 -2.441 1 1 345 . 12 1 1 A 34 34 PRO HA H 34 4.039 4.431 -0.392 1 1 352 . 12 1 1 A 34 34 PRO C C 34 175.293 176.554 -1.261 1 1 353 . 12 1 1 A 34 34 PRO CA C 34 64.248 63.661 0.587 1 1 354 . 12 1 1 A 34 34 PRO CB C 34 31.974 32.102 -0.128 1 1 357 . 12 1 1 A 35 35 ASN H H 35 8.478 8.127 0.351 1 1 358 . 12 1 1 A 35 35 ASN HA H 35 4.270 4.409 -0.139 1 1 363 . 12 1 1 A 35 35 ASN C C 35 173.982 174.469 -0.487 1 1 364 . 12 1 1 A 35 35 ASN CA C 35 53.655 54.570 -0.915 1 1 365 . 12 1 1 A 35 35 ASN CB C 35 37.151 37.278 -0.127 1 1 366 . 12 1 1 A 35 35 ASN N N 35 111.907 115.428 -3.521 1 1 368 . 12 1 1 A 36 36 GLY H H 36 7.537 7.854 -0.317 1 1 369 . 12 1 1 A 36 36 GLY HA2 H 36 4.247 3.991 0.256 1 1 370 . 12 1 1 A 36 36 GLY HA3 H 36 3.749 4.001 -0.252 1 1 371 . 12 1 1 A 36 36 GLY C C 36 172.062 172.178 -0.116 1 1 372 . 12 1 1 A 36 36 GLY CA C 36 44.147 44.502 -0.355 1 1 373 . 12 1 1 A 36 36 GLY N N 36 105.149 107.168 -2.019 1 1 374 . 12 1 1 A 37 37 ILE H H 37 8.107 8.542 -0.435 1 1 375 . 12 1 1 A 37 37 ILE HA H 37 4.017 4.161 -0.144 1 1 385 . 12 1 1 A 37 37 ILE C C 37 176.534 175.729 0.805 1 1 386 . 12 1 1 A 37 37 ILE CA C 37 60.331 61.452 -1.121 1 1 387 . 12 1 1 A 37 37 ILE CB C 37 38.929 37.767 1.162 1 1 391 . 12 1 1 A 37 37 ILE N N 37 120.104 121.434 -1.330 1 1 392 . 12 1 1 A 38 38 ILE H H 38 8.678 8.673 0.005 1 1 393 . 12 1 1 A 38 38 ILE HA H 38 3.695 3.923 -0.228 1 1 403 . 12 1 1 A 38 38 ILE C C 38 176.027 175.455 0.572 1 1 404 . 12 1 1 A 38 38 ILE CA C 38 61.811 61.943 -0.132 1 1 405 . 12 1 1 A 38 38 ILE CB C 38 37.028 36.699 0.329 1 1 409 . 12 1 1 A 38 38 ILE N N 38 127.591 129.147 -1.556 1 1 410 . 12 1 1 A 39 39 LEU H H 39 9.054 8.376 0.678 1 1 411 . 12 1 1 A 39 39 LEU HA H 39 4.188 3.999 0.189 1 1 421 . 12 1 1 A 39 39 LEU C C 39 176.826 176.639 0.187 1 1 422 . 12 1 1 A 39 39 LEU CA C 39 56.416 57.098 -0.682 1 1 423 . 12 1 1 A 39 39 LEU CB C 39 42.664 42.192 0.472 1 1 427 . 12 1 1 A 39 39 LEU N N 39 130.577 129.728 0.849 1 1 428 . 12 1 1 A 40 40 ASP H H 40 7.502 7.572 -0.070 1 1 429 . 12 1 1 A 40 40 ASP HA H 40 4.392 5.033 -0.641 1 1 432 . 12 1 1 A 40 40 ASP C C 40 171.781 173.682 -1.901 1 1 433 . 12 1 1 A 40 40 ASP CA C 40 52.884 53.005 -0.121 1 1 434 . 12 1 1 A 40 40 ASP CB C 40 41.985 44.706 -2.721 1 1 435 . 12 1 1 A 40 40 ASP N N 40 112.731 115.641 -2.910 1 1 436 . 12 1 1 A 41 41 TYR H H 41 8.974 8.973 0.001 1 1 437 . 12 1 1 A 41 41 TYR HA H 41 5.379 5.345 0.034 1 1 444 . 12 1 1 A 41 41 TYR C C 41 175.555 174.727 0.828 1 1 445 . 12 1 1 A 41 41 TYR CA C 41 56.574 56.755 -0.181 1 1 446 . 12 1 1 A 41 41 TYR CB C 41 42.213 41.883 0.330 1 1 449 . 12 1 1 A 41 41 TYR N N 41 111.324 118.032 -6.708 1 1 450 . 12 1 1 A 42 42 GLU H H 42 9.184 8.746 0.438 1 1 451 . 12 1 1 A 42 42 GLU HA H 42 5.066 4.878 0.188 1 1 456 . 12 1 1 A 42 42 GLU C C 42 174.368 175.265 -0.897 1 1 457 . 12 1 1 A 42 42 GLU CA C 42 55.126 56.183 -1.057 1 1 458 . 12 1 1 A 42 42 GLU CB C 42 33.471 31.160 2.311 1 1 460 . 12 1 1 A 42 42 GLU N N 42 120.875 124.364 -3.489 1 1 461 . 12 1 1 A 43 43 ILE H H 43 9.355 8.833 0.522 1 1 462 . 12 1 1 A 43 43 ILE HA H 43 4.853 5.182 -0.329 1 1 472 . 12 1 1 A 43 43 ILE C C 43 174.430 174.483 -0.053 1 1 473 . 12 1 1 A 43 43 ILE CA C 43 60.323 60.590 -0.267 1 1 474 . 12 1 1 A 43 43 ILE CB C 43 40.297 40.519 -0.222 1 1 478 . 12 1 1 A 43 43 ILE N N 43 126.045 126.567 -0.522 1 1 479 . 12 1 1 A 44 44 ARG H H 44 9.097 8.864 0.233 1 1 480 . 12 1 1 A 44 44 ARG HA H 44 5.545 5.289 0.256 1 1 487 . 12 1 1 A 44 44 ARG C C 44 175.523 174.596 0.927 1 1 488 . 12 1 1 A 44 44 ARG CA C 44 54.386 54.471 -0.085 1 1 489 . 12 1 1 A 44 44 ARG CB C 44 34.638 32.965 1.673 1 1 492 . 12 1 1 A 44 44 ARG N N 44 127.831 129.796 -1.965 1 1 493 . 12 1 1 A 45 45 TYR H H 45 8.893 8.752 0.141 1 1 494 . 12 1 1 A 45 45 TYR HA H 45 6.272 5.957 0.315 1 1 501 . 12 1 1 A 45 45 TYR C C 45 173.560 173.189 0.371 1 1 502 . 12 1 1 A 45 45 TYR CA C 45 54.767 55.465 -0.698 1 1 503 . 12 1 1 A 45 45 TYR CB C 45 43.168 42.533 0.635 1 1 508 . 12 1 1 A 45 45 TYR N N 45 123.683 122.671 1.012 1 1 509 . 12 1 1 A 46 46 TYR H H 46 8.479 8.320 0.159 1 1 510 . 12 1 1 A 46 46 TYR HA H 46 5.048 5.181 -0.133 1 1 517 . 12 1 1 A 46 46 TYR C C 46 173.870 174.403 -0.533 1 1 518 . 12 1 1 A 46 46 TYR CA C 46 55.485 55.796 -0.311 1 1 519 . 12 1 1 A 46 46 TYR CB C 46 39.975 41.123 -1.148 1 1 524 . 12 1 1 A 46 46 TYR N N 46 114.778 117.500 -2.722 1 1 525 . 12 1 1 A 47 47 GLU H H 47 9.111 8.633 0.478 1 1 526 . 12 1 1 A 47 47 GLU HA H 47 3.819 4.101 -0.282 1 1 531 . 12 1 1 A 47 47 GLU C C 47 177.764 177.780 -0.016 1 1 532 . 12 1 1 A 47 47 GLU CA C 47 57.123 57.161 -0.038 1 1 533 . 12 1 1 A 47 47 GLU CB C 47 29.773 29.584 0.189 1 1 535 . 12 1 1 A 47 47 GLU N N 47 122.069 121.525 0.544 1 1 536 . 12 1 1 A 48 48 LYS H H 48 8.246 8.589 -0.343 1 1 537 . 12 1 1 A 48 48 LYS HA H 48 3.722 4.014 -0.292 1 1 546 . 12 1 1 A 48 48 LYS C C 48 176.588 178.135 -1.547 1 1 547 . 12 1 1 A 48 48 LYS CA C 48 59.774 59.313 0.461 1 1 548 . 12 1 1 A 48 48 LYS CB C 48 33.032 32.237 0.795 1 1 552 . 12 1 1 A 48 48 LYS N N 48 122.857 125.679 -2.822 1 1 553 . 12 1 1 A 49 49 GLU H H 49 8.192 7.789 0.403 1 1 554 . 12 1 1 A 49 49 GLU HA H 49 4.216 4.317 -0.101 1 1 559 . 12 1 1 A 49 49 GLU C C 49 176.987 177.257 -0.270 1 1 560 . 12 1 1 A 49 49 GLU CA C 49 57.447 58.592 -1.145 1 1 561 . 12 1 1 A 49 49 GLU CB C 49 28.987 30.341 -1.354 1 1 563 . 12 1 1 A 49 49 GLU N N 49 114.305 116.806 -2.501 1 1 564 . 12 1 1 A 50 50 HIS H H 50 8.329 8.283 0.046 1 1 565 . 12 1 1 A 50 50 HIS HA H 50 4.928 4.712 0.216 1 1 570 . 12 1 1 A 50 50 HIS C C 50 173.255 174.991 -1.736 1 1 571 . 12 1 1 A 50 50 HIS CA C 50 54.372 56.514 -2.142 1 1 572 . 12 1 1 A 50 50 HIS CB C 50 31.082 31.173 -0.091 1 1 575 . 12 1 1 A 50 50 HIS N N 50 120.021 117.849 2.172 1 1 576 . 12 1 1 A 51 51 ASN H H 51 7.687 8.707 -1.020 1 1 577 . 12 1 1 A 51 51 ASN HA H 51 4.259 4.494 -0.235 1 1 582 . 12 1 1 A 51 51 ASN C C 51 174.779 175.978 -1.199 1 1 583 . 12 1 1 A 51 51 ASN CA C 51 52.561 51.521 1.040 1 1 584 . 12 1 1 A 51 51 ASN CB C 51 39.474 41.319 -1.845 1 1 585 . 12 1 1 A 51 51 ASN N N 51 114.158 117.644 -3.486 1 1 587 . 12 1 1 A 52 52 GLU H H 52 8.551 8.607 -0.056 1 1 588 . 12 1 1 A 52 52 GLU HA H 52 2.797 3.937 -1.140 1 1 593 . 12 1 1 A 52 52 GLU C C 52 177.117 178.569 -1.452 1 1 594 . 12 1 1 A 52 52 GLU CA C 52 58.155 58.915 -0.760 1 1 595 . 12 1 1 A 52 52 GLU CB C 52 28.912 28.991 -0.079 1 1 597 . 12 1 1 A 52 52 GLU N N 52 117.019 120.998 -3.979 1 1 598 . 12 1 1 A 53 53 PHE H H 53 7.855 8.255 -0.400 1 1 599 . 12 1 1 A 53 53 PHE HA H 53 4.371 4.015 0.356 1 1 607 . 12 1 1 A 53 53 PHE C C 53 175.783 176.916 -1.133 1 1 608 . 12 1 1 A 53 53 PHE CA C 53 58.785 61.763 -2.978 1 1 609 . 12 1 1 A 53 53 PHE CB C 53 37.747 39.345 -1.598 1 1 615 . 12 1 1 A 53 53 PHE N N 53 119.462 121.984 -2.522 1 1 616 . 12 1 1 A 54 54 ASN H H 54 7.744 7.547 0.197 1 1 617 . 12 1 1 A 54 54 ASN HA H 54 4.948 4.920 0.028 1 1 622 . 12 1 1 A 54 54 ASN C C 54 173.922 174.226 -0.304 1 1 623 . 12 1 1 A 54 54 ASN CA C 54 52.102 51.966 0.136 1 1 624 . 12 1 1 A 54 54 ASN CB C 54 38.637 37.904 0.733 1 1 625 . 12 1 1 A 54 54 ASN N N 54 120.451 117.338 3.113 1 1 627 . 12 1 1 A 55 55 SER H H 55 7.469 7.547 -0.078 1 1 628 . 12 1 1 A 55 55 SER HA H 55 4.710 5.184 -0.474 1 1 631 . 12 1 1 A 55 55 SER C C 55 173.922 173.597 0.325 1 1 632 . 12 1 1 A 55 55 SER CA C 55 57.883 55.929 1.954 1 1 633 . 12 1 1 A 55 55 SER CB C 55 66.064 65.939 0.125 1 1 634 . 12 1 1 A 55 55 SER N N 55 113.429 114.141 -0.712 1 1 635 . 12 1 1 A 56 56 SER H H 56 8.458 8.278 0.180 1 1 636 . 12 1 1 A 56 56 SER HA H 56 4.632 5.007 -0.375 1 1 639 . 12 1 1 A 56 56 SER C C 56 171.119 173.784 -2.665 1 1 640 . 12 1 1 A 56 56 SER CA C 56 57.866 57.417 0.449 1 1 641 . 12 1 1 A 56 56 SER CB C 56 65.164 64.268 0.896 1 1 642 . 12 1 1 A 56 56 SER N N 56 116.653 118.435 -1.782 1 1 643 . 12 1 1 A 57 57 MET H H 57 8.355 8.928 -0.573 1 1 644 . 12 1 1 A 57 57 MET HA H 57 5.776 5.742 0.034 1 1 652 . 12 1 1 A 57 57 MET C C 57 175.771 175.276 0.495 1 1 653 . 12 1 1 A 57 57 MET CA C 57 53.913 53.613 0.300 1 1 654 . 12 1 1 A 57 57 MET CB C 57 36.115 34.695 1.420 1 1 657 . 12 1 1 A 57 57 MET N N 57 119.463 124.440 -4.977 1 1 658 . 12 1 1 A 58 58 ALA H H 58 9.547 9.148 0.399 1 1 659 . 12 1 1 A 58 58 ALA HA H 58 4.890 5.300 -0.410 1 1 663 . 12 1 1 A 58 58 ALA C C 58 175.328 175.679 -0.351 1 1 664 . 12 1 1 A 58 58 ALA CA C 58 50.829 50.742 0.087 1 1 665 . 12 1 1 A 58 58 ALA CB C 58 22.649 22.640 0.009 1 1 666 . 12 1 1 A 58 58 ALA N N 58 127.410 124.713 2.697 1 1 667 . 12 1 1 A 59 59 ARG H H 59 8.776 8.793 -0.017 1 1 668 . 12 1 1 A 59 59 ARG HA H 59 5.567 4.918 0.649 1 1 675 . 12 1 1 A 59 59 ARG C C 59 176.336 175.101 1.235 1 1 676 . 12 1 1 A 59 59 ARG CA C 59 54.843 55.797 -0.954 1 1 677 . 12 1 1 A 59 59 ARG CB C 59 33.691 31.858 1.833 1 1 680 . 12 1 1 A 59 59 ARG N N 59 119.945 123.593 -3.648 1 1 681 . 12 1 1 A 60 60 SER H H 60 8.919 8.626 0.293 1 1 682 . 12 1 1 A 60 60 SER HA H 60 5.011 5.243 -0.232 1 1 685 . 12 1 1 A 60 60 SER C C 60 174.614 174.468 0.146 1 1 686 . 12 1 1 A 60 60 SER CA C 60 56.752 56.656 0.096 1 1 687 . 12 1 1 A 60 60 SER CB C 60 66.198 65.285 0.913 1 1 688 . 12 1 1 A 60 60 SER N N 60 115.274 116.947 -1.673 1 1 689 . 12 1 1 A 61 61 GLN H H 61 9.367 8.591 0.776 1 1 690 . 12 1 1 A 61 61 GLN HA H 61 4.556 4.875 -0.319 1 1 697 . 12 1 1 A 61 61 GLN C C 61 175.391 175.371 0.020 1 1 698 . 12 1 1 A 61 61 GLN CA C 61 57.664 56.554 1.110 1 1 699 . 12 1 1 A 61 61 GLN CB C 61 29.763 29.296 0.467 1 1 701 . 12 1 1 A 61 61 GLN N N 61 124.808 124.202 0.606 1 1 703 . 12 1 1 A 62 62 THR H H 62 8.075 7.618 0.457 1 1 704 . 12 1 1 A 62 62 THR HA H 62 4.918 4.655 0.263 1 1 709 . 12 1 1 A 62 62 THR C C 62 173.106 172.828 0.278 1 1 710 . 12 1 1 A 62 62 THR CA C 62 59.369 59.989 -0.620 1 1 711 . 12 1 1 A 62 62 THR CB C 62 70.607 70.744 -0.137 1 1 713 . 12 1 1 A 62 62 THR N N 62 110.260 113.920 -3.660 1 1 714 . 12 1 1 A 63 63 ASN H H 63 8.575 8.418 0.157 1 1 715 . 12 1 1 A 63 63 ASN HA H 63 3.457 4.035 -0.578 1 1 720 . 12 1 1 A 63 63 ASN C C 63 172.343 173.590 -1.247 1 1 721 . 12 1 1 A 63 63 ASN CA C 63 53.270 52.647 0.623 1 1 722 . 12 1 1 A 63 63 ASN CB C 63 34.441 38.517 -4.076 1 1 723 . 12 1 1 A 63 63 ASN N N 63 119.090 120.776 -1.686 1 1 725 . 12 1 1 A 64 64 THR H H 64 6.850 7.223 -0.373 1 1 726 . 12 1 1 A 64 64 THR HA H 64 4.296 3.986 0.310 1 1 731 . 12 1 1 A 64 64 THR C C 64 172.238 171.912 0.326 1 1 732 . 12 1 1 A 64 64 THR CA C 64 60.501 60.587 -0.086 1 1 733 . 12 1 1 A 64 64 THR CB C 64 71.252 71.227 0.025 1 1 735 . 12 1 1 A 64 64 THR N N 64 111.612 113.768 -2.156 1 1 736 . 12 1 1 A 65 65 ALA H H 65 8.619 8.712 -0.093 1 1 737 . 12 1 1 A 65 65 ALA HA H 65 4.595 5.061 -0.466 1 1 741 . 12 1 1 A 65 65 ALA C C 65 174.046 174.680 -0.634 1 1 742 . 12 1 1 A 65 65 ALA CA C 65 52.102 51.353 0.749 1 1 743 . 12 1 1 A 65 65 ALA CB C 65 22.427 22.948 -0.521 1 1 744 . 12 1 1 A 65 65 ALA N N 65 124.370 129.801 -5.431 1 1 745 . 12 1 1 A 66 66 ARG H H 66 8.533 8.891 -0.358 1 1 746 . 12 1 1 A 66 66 ARG HA H 66 4.973 5.084 -0.111 1 1 753 . 12 1 1 A 66 66 ARG C C 66 175.240 174.704 0.536 1 1 754 . 12 1 1 A 66 66 ARG CA C 66 54.560 54.663 -0.103 1 1 755 . 12 1 1 A 66 66 ARG CB C 66 32.088 33.080 -0.992 1 1 758 . 12 1 1 A 66 66 ARG N N 66 122.633 122.923 -0.290 1 1 759 . 12 1 1 A 67 67 ILE H H 67 8.967 8.739 0.228 1 1 760 . 12 1 1 A 67 67 ILE HA H 67 4.013 4.293 -0.280 1 1 770 . 12 1 1 A 67 67 ILE C C 67 174.026 175.242 -1.216 1 1 771 . 12 1 1 A 67 67 ILE CA C 67 60.377 60.107 0.270 1 1 772 . 12 1 1 A 67 67 ILE CB C 67 38.044 37.319 0.725 1 1 776 . 12 1 1 A 67 67 ILE N N 67 128.560 127.674 0.886 1 1 777 . 12 1 1 A 68 68 ASP H H 68 8.117 8.543 -0.426 1 1 778 . 12 1 1 A 68 68 ASP HA H 68 5.060 5.241 -0.181 1 1 781 . 12 1 1 A 68 68 ASP C C 68 175.792 176.177 -0.385 1 1 782 . 12 1 1 A 68 68 ASP CA C 68 52.474 52.228 0.246 1 1 783 . 12 1 1 A 68 68 ASP CB C 68 44.116 43.942 0.174 1 1 784 . 12 1 1 A 68 68 ASP N N 68 125.243 125.604 -0.361 1 1 785 . 12 1 1 A 69 69 GLY H H 69 8.568 8.602 -0.034 1 1 786 . 12 1 1 A 69 69 GLY HA2 H 69 3.951 3.935 0.016 1 1 787 . 12 1 1 A 69 69 GLY HA3 H 69 3.830 3.945 -0.115 1 1 788 . 12 1 1 A 69 69 GLY C C 69 175.359 173.928 1.431 1 1 789 . 12 1 1 A 69 69 GLY CA C 69 46.356 45.870 0.486 1 1 790 . 12 1 1 A 69 69 GLY N N 69 105.736 111.154 -5.418 1 1 791 . 12 1 1 A 70 70 LEU H H 70 7.982 7.551 0.431 1 1 792 . 12 1 1 A 70 70 LEU HA H 70 4.356 4.728 -0.372 1 1 802 . 12 1 1 A 70 70 LEU C C 70 175.151 175.652 -0.501 1 1 803 . 12 1 1 A 70 70 LEU CA C 70 53.110 52.904 0.206 1 1 804 . 12 1 1 A 70 70 LEU CB C 70 40.992 44.086 -3.094 1 1 808 . 12 1 1 A 70 70 LEU N N 70 118.817 120.124 -1.307 1 1 809 . 12 1 1 A 71 71 ARG H H 71 8.148 8.400 -0.252 1 1 810 . 12 1 1 A 71 71 ARG HA H 71 4.922 4.819 0.103 1 1 817 . 12 1 1 A 71 71 ARG C C 71 174.419 174.057 0.362 1 1 818 . 12 1 1 A 71 71 ARG CA C 71 53.534 53.310 0.224 1 1 819 . 12 1 1 A 71 71 ARG CB C 71 32.001 30.660 1.341 1 1 822 . 12 1 1 A 71 71 ARG N N 71 118.182 120.880 -2.698 1 1 823 . 12 1 1 A 72 72 PRO HA H 72 5.168 4.684 0.484 1 1 830 . 12 1 1 A 72 72 PRO C C 72 178.121 177.670 0.451 1 1 831 . 12 1 1 A 72 72 PRO CA C 72 63.416 63.654 -0.238 1 1 832 . 12 1 1 A 72 72 PRO CB C 72 32.908 31.390 1.518 1 1 835 . 12 1 1 A 73 73 GLY H H 73 7.705 9.082 -1.377 1 1 836 . 12 1 1 A 73 73 GLY HA2 H 73 3.856 3.951 -0.095 1 1 837 . 12 1 1 A 73 73 GLY HA3 H 73 3.508 3.958 -0.450 1 1 838 . 12 1 1 A 73 73 GLY C C 73 173.685 174.015 -0.330 1 1 839 . 12 1 1 A 73 73 GLY CA C 73 46.731 46.617 0.114 1 1 840 . 12 1 1 A 73 73 GLY N N 73 112.669 112.117 0.552 1 1 841 . 12 1 1 A 74 74 MET H H 74 7.511 7.775 -0.264 1 1 842 . 12 1 1 A 74 74 MET HA H 74 4.742 4.916 -0.174 1 1 850 . 12 1 1 A 74 74 MET C C 74 173.525 174.397 -0.872 1 1 851 . 12 1 1 A 74 74 MET CA C 74 53.216 54.384 -1.168 1 1 852 . 12 1 1 A 74 74 MET CB C 74 33.610 37.154 -3.544 1 1 855 . 12 1 1 A 74 74 MET N N 74 119.820 118.481 1.339 1 1 856 . 12 1 1 A 75 75 VAL H H 75 7.651 8.470 -0.819 1 1 857 . 12 1 1 A 75 75 VAL HA H 75 4.361 4.557 -0.196 1 1 865 . 12 1 1 A 75 75 VAL C C 75 174.677 174.889 -0.212 1 1 866 . 12 1 1 A 75 75 VAL CA C 75 61.581 61.607 -0.026 1 1 867 . 12 1 1 A 75 75 VAL CB C 75 32.345 32.184 0.161 1 1 870 . 12 1 1 A 75 75 VAL N N 75 121.287 123.271 -1.984 1 1 871 . 12 1 1 A 76 76 TYR H H 76 9.405 9.181 0.224 1 1 872 . 12 1 1 A 76 76 TYR HA H 76 4.743 5.062 -0.319 1 1 879 . 12 1 1 A 76 76 TYR C C 76 174.740 175.299 -0.559 1 1 880 . 12 1 1 A 76 76 TYR CA C 76 57.424 56.461 0.963 1 1 881 . 12 1 1 A 76 76 TYR CB C 76 41.151 40.716 0.435 1 1 886 . 12 1 1 A 76 76 TYR N N 76 126.231 126.028 0.203 1 1 887 . 12 1 1 A 77 77 VAL H H 77 8.867 8.307 0.560 1 1 888 . 12 1 1 A 77 77 VAL HA H 77 4.318 4.330 -0.012 1 1 896 . 12 1 1 A 77 77 VAL C C 77 175.773 175.285 0.488 1 1 897 . 12 1 1 A 77 77 VAL CA C 77 61.473 63.253 -1.780 1 1 898 . 12 1 1 A 77 77 VAL CB C 77 31.218 30.873 0.345 1 1 901 . 12 1 1 A 77 77 VAL N N 77 123.699 125.209 -1.510 1 1 902 . 12 1 1 A 78 78 VAL H H 78 8.683 8.982 -0.299 1 1 903 . 12 1 1 A 78 78 VAL HA H 78 4.995 4.757 0.238 1 1 911 . 12 1 1 A 78 78 VAL C C 78 175.275 175.331 -0.056 1 1 912 . 12 1 1 A 78 78 VAL CA C 78 60.942 61.277 -0.335 1 1 913 . 12 1 1 A 78 78 VAL CB C 78 34.790 33.171 1.619 1 1 916 . 12 1 1 A 78 78 VAL N N 78 124.155 128.663 -4.508 1 1 917 . 12 1 1 A 79 79 GLN H H 79 8.613 9.054 -0.441 1 1 918 . 12 1 1 A 79 79 GLN HA H 79 4.511 4.871 -0.360 1 1 925 . 12 1 1 A 79 79 GLN C C 79 173.361 174.170 -0.809 1 1 926 . 12 1 1 A 79 79 GLN CA C 79 54.666 54.146 0.520 1 1 927 . 12 1 1 A 79 79 GLN CB C 79 36.751 32.672 4.079 1 1 929 . 12 1 1 A 79 79 GLN N N 79 121.693 125.122 -3.429 1 1 931 . 12 1 1 A 80 80 VAL H H 80 9.019 8.779 0.240 1 1 932 . 12 1 1 A 80 80 VAL HA H 80 5.801 5.246 0.555 1 1 940 . 12 1 1 A 80 80 VAL C C 80 174.526 173.917 0.609 1 1 941 . 12 1 1 A 80 80 VAL CA C 80 58.750 59.524 -0.774 1 1 942 . 12 1 1 A 80 80 VAL CB C 80 35.479 34.966 0.513 1 1 945 . 12 1 1 A 80 80 VAL N N 80 118.559 120.279 -1.720 1 1 946 . 12 1 1 A 81 81 ARG H H 81 9.199 8.760 0.439 1 1 947 . 12 1 1 A 81 81 ARG HA H 81 4.951 5.039 -0.088 1 1 955 . 12 1 1 A 81 81 ARG C C 81 172.660 174.294 -1.634 1 1 956 . 12 1 1 A 81 81 ARG CA C 81 54.295 53.666 0.629 1 1 957 . 12 1 1 A 81 81 ARG CB C 81 33.750 33.678 0.072 1 1 960 . 12 1 1 A 81 81 ARG N N 81 125.225 126.081 -0.856 1 1 962 . 12 1 1 A 82 82 ALA H H 82 8.762 8.680 0.082 1 1 963 . 12 1 1 A 82 82 ALA HA H 82 4.820 5.324 -0.504 1 1 967 . 12 1 1 A 82 82 ALA C C 82 174.783 175.610 -0.827 1 1 968 . 12 1 1 A 82 82 ALA CA C 82 50.741 50.316 0.425 1 1 969 . 12 1 1 A 82 82 ALA CB C 82 22.383 20.841 1.542 1 1 970 . 12 1 1 A 82 82 ALA N N 82 124.292 122.564 1.728 1 1 971 . 12 1 1 A 83 83 ARG H H 83 8.336 8.366 -0.030 1 1 972 . 12 1 1 A 83 83 ARG HA H 83 4.737 4.944 -0.207 1 1 980 . 12 1 1 A 83 83 ARG C C 83 175.290 174.565 0.725 1 1 981 . 12 1 1 A 83 83 ARG CA C 83 55.727 54.183 1.544 1 1 982 . 12 1 1 A 83 83 ARG CB C 83 34.562 33.363 1.199 1 1 985 . 12 1 1 A 83 83 ARG N N 83 121.023 122.890 -1.867 1 1 987 . 12 1 1 A 84 84 THR H H 84 8.485 8.388 0.097 1 1 988 . 12 1 1 A 84 84 THR HA H 84 4.875 4.822 0.053 1 1 993 . 12 1 1 A 84 84 THR C C 84 176.218 175.182 1.036 1 1 994 . 12 1 1 A 84 84 THR CA C 84 59.475 59.681 -0.206 1 1 995 . 12 1 1 A 84 84 THR CB C 84 72.440 72.311 0.129 1 1 997 . 12 1 1 A 84 84 THR N N 84 116.374 117.687 -1.313 1 1 998 . 12 1 1 A 85 85 VAL H H 85 9.283 8.681 0.602 1 1 999 . 12 1 1 A 85 85 VAL HA H 85 3.794 3.846 -0.052 1 1 1007 . 12 1 1 A 85 85 VAL C C 85 175.930 177.231 -1.301 1 1 1008 . 12 1 1 A 85 85 VAL CA C 85 64.934 64.407 0.527 1 1 1009 . 12 1 1 A 85 85 VAL CB C 85 31.621 31.669 -0.048 1 1 1012 . 12 1 1 A 85 85 VAL N N 85 119.099 121.435 -2.336 1 1 1013 . 12 1 1 A 86 86 ALA H H 86 7.840 7.559 0.281 1 1 1014 . 12 1 1 A 86 86 ALA HA H 86 4.242 4.155 0.087 1 1 1018 . 12 1 1 A 86 86 ALA C C 86 177.467 177.418 0.049 1 1 1019 . 12 1 1 A 86 86 ALA CA C 86 52.774 54.067 -1.293 1 1 1020 . 12 1 1 A 86 86 ALA CB C 86 19.733 20.034 -0.301 1 1 1021 . 12 1 1 A 86 86 ALA N N 86 121.263 122.447 -1.184 1 1 1022 . 12 1 1 A 87 87 GLY H H 87 7.365 7.187 0.178 1 1 1023 . 12 1 1 A 87 87 GLY HA2 H 87 4.402 3.980 0.422 1 1 1024 . 12 1 1 A 87 87 GLY HA3 H 87 3.588 4.030 -0.442 1 1 1025 . 12 1 1 A 87 87 GLY C C 87 171.960 171.072 0.888 1 1 1026 . 12 1 1 A 87 87 GLY CA C 87 44.170 45.819 -1.649 1 1 1027 . 12 1 1 A 87 87 GLY N N 87 105.736 102.078 3.658 1 1 1028 . 12 1 1 A 88 88 TYR H H 88 8.444 8.546 -0.102 1 1 1029 . 12 1 1 A 88 88 TYR HA H 88 5.063 4.728 0.335 1 1 1036 . 12 1 1 A 88 88 TYR C C 88 179.239 175.817 3.422 1 1 1037 . 12 1 1 A 88 88 TYR CA C 88 58.308 57.131 1.177 1 1 1038 . 12 1 1 A 88 88 TYR CB C 88 41.442 39.440 2.002 1 1 1043 . 12 1 1 A 88 88 TYR N N 88 116.996 119.835 -2.839 1 1 1044 . 12 1 1 A 89 89 GLY H H 89 8.676 8.708 -0.032 1 1 1045 . 12 1 1 A 89 89 GLY HA2 H 89 4.324 4.130 0.194 1 1 1046 . 12 1 1 A 89 89 GLY HA3 H 89 3.973 4.139 -0.166 1 1 1047 . 12 1 1 A 89 89 GLY C C 89 173.844 173.480 0.364 1 1 1048 . 12 1 1 A 89 89 GLY CA C 89 43.916 44.351 -0.435 1 1 1049 . 12 1 1 A 89 89 GLY N N 89 107.850 111.225 -3.375 1 1 1050 . 12 1 1 A 90 90 LYS H H 90 8.711 8.216 0.495 1 1 1051 . 12 1 1 A 90 90 LYS HA H 90 4.166 4.084 0.082 1 1 1060 . 12 1 1 A 90 90 LYS C C 90 177.819 175.849 1.970 1 1 1061 . 12 1 1 A 90 90 LYS CA C 90 56.162 56.030 0.132 1 1 1062 . 12 1 1 A 90 90 LYS CB C 90 32.730 32.727 0.003 1 1 1066 . 12 1 1 A 90 90 LYS N N 90 119.382 118.688 0.694 1 1 1067 . 12 1 1 A 91 91 PHE H H 91 8.698 8.648 0.050 1 1 1068 . 12 1 1 A 91 91 PHE HA H 91 4.241 4.921 -0.680 1 1 1076 . 12 1 1 A 91 91 PHE C C 91 176.805 175.988 0.817 1 1 1077 . 12 1 1 A 91 91 PHE CA C 91 61.027 58.202 2.825 1 1 1078 . 12 1 1 A 91 91 PHE CB C 91 39.995 40.192 -0.197 1 1 1084 . 12 1 1 A 91 91 PHE N N 91 120.691 120.069 0.622 1 1 1085 . 12 1 1 A 92 92 SER H H 92 8.311 8.733 -0.422 1 1 1086 . 12 1 1 A 92 92 SER HA H 92 4.259 4.696 -0.437 1 1 1089 . 12 1 1 A 92 92 SER C C 92 173.499 174.863 -1.364 1 1 1090 . 12 1 1 A 92 92 SER CA C 92 58.146 57.749 0.397 1 1 1091 . 12 1 1 A 92 92 SER CB C 92 65.329 65.437 -0.108 1 1 1092 . 12 1 1 A 92 92 SER N N 92 115.098 116.290 -1.192 1 1 1093 . 12 1 1 A 93 93 GLY H H 93 8.869 8.569 0.300 1 1 1094 . 12 1 1 A 93 93 GLY HA2 H 93 4.071 3.954 0.117 1 1 1095 . 12 1 1 A 93 93 GLY HA3 H 93 3.780 3.962 -0.182 1 1 1096 . 12 1 1 A 93 93 GLY C C 93 174.375 174.239 0.136 1 1 1097 . 12 1 1 A 93 93 GLY CA C 93 45.331 45.999 -0.668 1 1 1098 . 12 1 1 A 93 93 GLY N N 93 106.252 108.228 -1.976 1 1 1099 . 12 1 1 A 94 94 LYS H H 94 8.619 8.283 0.336 1 1 1100 . 12 1 1 A 94 94 LYS HA H 94 3.633 4.044 -0.411 1 1 1109 . 12 1 1 A 94 94 LYS C C 94 176.004 175.883 0.121 1 1 1110 . 12 1 1 A 94 94 LYS CA C 94 59.068 57.127 1.941 1 1 1111 . 12 1 1 A 94 94 LYS CB C 94 33.072 32.377 0.695 1 1 1115 . 12 1 1 A 94 94 LYS N N 94 122.645 124.901 -2.256 1 1 1116 . 12 1 1 A 95 95 MET H H 95 7.547 8.731 -1.184 1 1 1117 . 12 1 1 A 95 95 MET HA H 95 4.520 4.989 -0.469 1 1 1125 . 12 1 1 A 95 95 MET C C 95 173.400 174.371 -0.971 1 1 1126 . 12 1 1 A 95 95 MET CA C 95 54.701 53.582 1.119 1 1 1127 . 12 1 1 A 95 95 MET CB C 95 37.784 35.193 2.591 1 1 1130 . 12 1 1 A 95 95 MET N N 95 122.392 124.386 -1.994 1 1 1131 . 12 1 1 A 96 96 CYS H H 96 7.888 8.720 -0.832 1 1 1132 . 12 1 1 A 96 96 CYS HA H 96 5.465 5.038 0.427 1 1 1135 . 12 1 1 A 96 96 CYS C C 96 173.757 172.871 0.886 1 1 1136 . 12 1 1 A 96 96 CYS CA C 96 57.353 57.259 0.094 1 1 1137 . 12 1 1 A 96 96 CYS CB C 96 29.941 29.868 0.073 1 1 1138 . 12 1 1 A 96 96 CYS N N 96 117.124 120.266 -3.142 1 1 1139 . 12 1 1 A 97 97 PHE H H 97 9.133 8.757 0.376 1 1 1140 . 12 1 1 A 97 97 PHE HA H 97 4.879 5.259 -0.380 1 1 1148 . 12 1 1 A 97 97 PHE C C 97 173.309 174.341 -1.032 1 1 1149 . 12 1 1 A 97 97 PHE CA C 97 56.983 56.200 0.783 1 1 1150 . 12 1 1 A 97 97 PHE CB C 97 44.074 42.070 2.004 1 1 1156 . 12 1 1 A 97 97 PHE N N 97 121.239 123.876 -2.637 1 1 1157 . 12 1 1 A 98 98 GLN H H 98 8.884 9.034 -0.150 1 1 1158 . 12 1 1 A 98 98 GLN HA H 98 5.809 5.449 0.360 1 1 1165 . 12 1 1 A 98 98 GLN C C 98 176.454 176.041 0.413 1 1 1166 . 12 1 1 A 98 98 GLN CA C 98 54.125 53.885 0.240 1 1 1167 . 12 1 1 A 98 98 GLN CB C 98 33.444 32.101 1.343 1 1 1169 . 12 1 1 A 98 98 GLN N N 98 120.699 123.369 -2.670 1 1 1171 . 12 1 1 A 99 99 THR H H 99 8.176 8.243 -0.067 1 1 1172 . 12 1 1 A 99 99 THR HA H 99 4.324 4.674 -0.350 1 1 1177 . 12 1 1 A 99 99 THR C C 99 175.929 174.277 1.652 1 1 1178 . 12 1 1 A 99 99 THR CA C 99 60.341 61.171 -0.830 1 1 1179 . 12 1 1 A 99 99 THR CB C 99 70.070 71.859 -1.789 1 1 1181 . 12 1 1 A 99 99 THR N N 99 112.214 115.840 -3.626 1 1 1182 . 12 1 1 A 100 100 LEU H H 100 7.368 8.419 -1.051 1 1 1183 . 12 1 1 A 100 100 LEU HA H 100 4.310 4.411 -0.101 1 1 1193 . 12 1 1 A 100 100 LEU C C 100 177.359 176.540 0.819 1 1 1194 . 12 1 1 A 100 100 LEU CA C 100 54.790 54.930 -0.140 1 1 1195 . 12 1 1 A 100 100 LEU CB C 100 42.096 42.325 -0.229 1 1 1199 . 12 1 1 A 100 100 LEU N N 100 117.018 122.366 -5.348 1 1 1200 . 12 1 1 A 101 101 THR H H 101 7.997 8.487 -0.490 1 1 1201 . 12 1 1 A 101 101 THR HA H 101 4.123 4.821 -0.698 1 1 1206 . 12 1 1 A 101 101 THR C C 101 174.014 174.700 -0.686 1 1 1207 . 12 1 1 A 101 101 THR CA C 101 61.968 60.881 1.087 1 1 1208 . 12 1 1 A 101 101 THR CB C 101 70.172 69.676 0.496 1 1 1210 . 12 1 1 A 101 101 THR N N 101 110.428 116.048 -5.620 1 1 1211 . 12 1 1 A 102 102 ASP H H 102 8.320 8.889 -0.569 1 1 1212 . 12 1 1 A 102 102 ASP HA H 102 4.853 4.438 0.415 1 1 1215 . 12 1 1 A 102 102 ASP C C 102 176.204 175.397 0.807 1 1 1216 . 12 1 1 A 102 102 ASP CA C 102 53.694 57.080 -3.386 1 1 1217 . 12 1 1 A 102 102 ASP CB C 102 41.808 41.054 0.754 1 1 1218 . 12 1 1 A 102 102 ASP N N 102 120.693 125.597 -4.904 1 1 1219 . 12 1 1 A 103 103 SER H H 103 8.294 8.039 0.255 1 1 1220 . 12 1 1 A 103 103 SER HA H 103 4.486 4.797 -0.311 1 1 1223 . 12 1 1 A 103 103 SER C C 103 174.875 172.776 2.099 1 1 1224 . 12 1 1 A 103 103 SER CA C 103 58.361 56.356 2.005 1 1 1225 . 12 1 1 A 103 103 SER CB C 103 63.942 66.165 -2.223 1 1 1226 . 12 1 1 A 103 103 SER N N 103 117.442 113.031 4.411 1 1 1227 . 12 1 1 A 104 104 GLY H H 104 8.393 8.398 -0.005 1 1 1228 . 12 1 1 A 104 104 GLY HA2 H 104 4.104 4.187 -0.083 1 1 1229 . 12 1 1 A 104 104 GLY HA3 H 104 4.104 4.188 -0.084 1 1 1230 . 12 1 1 A 104 104 GLY C C 104 172.016 171.980 0.036 1 1 1231 . 12 1 1 A 104 104 GLY CA C 104 44.800 45.547 -0.747 1 1 1232 . 12 1 1 A 104 104 GLY N N 104 111.065 110.596 0.469 1 1 1233 . 12 1 1 A 105 105 PRO HA H 105 4.475 4.708 -0.233 1 1 1240 . 12 1 1 A 105 105 PRO C C 105 177.464 175.321 2.143 1 1 1241 . 12 1 1 A 105 105 PRO CA C 105 63.329 62.686 0.643 1 1 1242 . 12 1 1 A 105 105 PRO CB C 105 32.249 33.014 -0.765 1 1 1245 . 12 1 1 A 106 106 SER H H 106 8.514 8.421 0.093 1 1 1246 . 12 1 1 A 106 106 SER HA H 106 4.512 5.082 -0.570 1 1 1249 . 12 1 1 A 106 106 SER C C 106 174.735 172.466 2.269 1 1 1250 . 12 1 1 A 106 106 SER CA C 106 58.361 57.556 0.805 1 1 1251 . 12 1 1 A 106 106 SER CB C 106 63.820 67.200 -3.380 1 1 1252 . 12 1 1 A 106 106 SER N N 106 116.429 115.892 0.537 1 1 1253 . 12 1 1 A 107 107 SER H H 107 8.329 8.543 -0.214 1 1 1254 . 12 1 1 A 107 107 SER HA H 107 4.512 5.204 -0.692 1 1 1257 . 12 1 1 A 107 107 SER C C 107 174.004 174.529 -0.525 1 1 1258 . 12 1 1 A 107 107 SER CA C 107 58.414 56.539 1.875 1 1 1259 . 12 1 1 A 107 107 SER CB C 107 64.014 65.424 -1.410 1 1 1260 . 12 1 1 A 107 107 SER N N 107 117.919 115.237 2.682 1 1 1 . 13 1 1 A 6 6 SER HA H 6 4.523 4.999 -0.476 1 1 3 . 13 1 1 A 6 6 SER CA C 6 58.535 57.403 1.132 1 1 4 . 13 1 1 A 6 6 SER CB C 6 64.106 64.564 -0.458 1 1 5 . 13 1 1 A 7 7 GLY H H 7 8.202 9.033 -0.831 1 1 6 . 13 1 1 A 7 7 GLY HA2 H 7 3.881 4.211 -0.330 1 1 7 . 13 1 1 A 7 7 GLY HA3 H 7 3.740 4.216 -0.476 1 1 8 . 13 1 1 A 7 7 GLY CA C 7 44.322 43.821 0.501 1 1 9 . 13 1 1 A 7 7 GLY N N 7 109.573 113.642 -4.069 1 1 10 . 13 1 1 A 8 8 PRO HA H 8 4.641 4.802 -0.161 1 1 17 . 13 1 1 A 8 8 PRO C C 8 176.480 176.817 -0.337 1 1 18 . 13 1 1 A 8 8 PRO CA C 8 62.582 62.809 -0.227 1 1 19 . 13 1 1 A 8 8 PRO CB C 8 32.331 31.998 0.333 1 1 22 . 13 1 1 A 9 9 SER H H 9 8.061 8.854 -0.793 1 1 23 . 13 1 1 A 9 9 SER HA H 9 4.374 4.453 -0.079 1 1 26 . 13 1 1 A 9 9 SER C C 9 173.090 173.547 -0.457 1 1 27 . 13 1 1 A 9 9 SER CA C 9 58.754 59.006 -0.252 1 1 28 . 13 1 1 A 9 9 SER CB C 9 63.667 63.940 -0.273 1 1 29 . 13 1 1 A 9 9 SER N N 9 115.137 117.617 -2.480 1 1 30 . 13 1 1 A 10 10 THR H H 10 8.359 8.508 -0.149 1 1 31 . 13 1 1 A 10 10 THR HA H 10 4.027 4.937 -0.910 1 1 36 . 13 1 1 A 10 10 THR C C 10 175.380 173.754 1.626 1 1 37 . 13 1 1 A 10 10 THR CA C 10 62.781 59.726 3.055 1 1 38 . 13 1 1 A 10 10 THR CB C 10 69.617 71.754 -2.137 1 1 40 . 13 1 1 A 10 10 THR N N 10 115.079 118.837 -3.758 1 1 41 . 13 1 1 A 11 11 VAL H H 11 9.280 8.589 0.691 1 1 42 . 13 1 1 A 11 11 VAL HA H 11 4.097 4.141 -0.044 1 1 50 . 13 1 1 A 11 11 VAL C C 11 175.706 176.383 -0.677 1 1 51 . 13 1 1 A 11 11 VAL CA C 11 61.518 61.507 0.011 1 1 52 . 13 1 1 A 11 11 VAL CB C 11 33.174 32.174 1.000 1 1 55 . 13 1 1 A 11 11 VAL N N 11 131.182 126.532 4.650 1 1 56 . 13 1 1 A 12 12 PRO HA H 12 4.415 4.490 -0.075 1 1 63 . 13 1 1 A 12 12 PRO C C 12 175.612 176.380 -0.768 1 1 64 . 13 1 1 A 12 12 PRO CA C 12 64.850 64.874 -0.024 1 1 65 . 13 1 1 A 12 12 PRO CB C 12 32.578 32.239 0.339 1 1 68 . 13 1 1 A 13 13 ILE H H 13 7.251 7.599 -0.348 1 1 69 . 13 1 1 A 13 13 ILE HA H 13 4.439 4.655 -0.216 1 1 79 . 13 1 1 A 13 13 ILE C C 13 170.969 173.258 -2.289 1 1 80 . 13 1 1 A 13 13 ILE CA C 13 59.973 59.413 0.560 1 1 81 . 13 1 1 A 13 13 ILE CB C 13 40.776 41.856 -1.080 1 1 85 . 13 1 1 A 13 13 ILE N N 13 115.827 116.010 -0.183 1 1 86 . 13 1 1 A 14 14 MET H H 14 6.827 8.749 -1.922 1 1 87 . 13 1 1 A 14 14 MET HA H 14 4.961 5.467 -0.506 1 1 95 . 13 1 1 A 14 14 MET C C 14 173.380 174.896 -1.516 1 1 96 . 13 1 1 A 14 14 MET CA C 14 55.214 53.868 1.346 1 1 97 . 13 1 1 A 14 14 MET CB C 14 38.223 35.178 3.045 1 1 100 . 13 1 1 A 14 14 MET N N 14 116.754 125.678 -8.924 1 1 101 . 13 1 1 A 15 15 HIS H H 15 9.417 9.068 0.349 1 1 102 . 13 1 1 A 15 15 HIS HA H 15 4.958 5.229 -0.271 1 1 107 . 13 1 1 A 15 15 HIS C C 15 173.901 173.700 0.201 1 1 108 . 13 1 1 A 15 15 HIS CA C 15 55.190 54.343 0.847 1 1 109 . 13 1 1 A 15 15 HIS CB C 15 33.361 33.383 -0.022 1 1 112 . 13 1 1 A 15 15 HIS N N 15 118.539 118.633 -0.094 1 1 113 . 13 1 1 A 16 16 GLN H H 16 9.164 8.937 0.227 1 1 114 . 13 1 1 A 16 16 GLN HA H 16 4.385 4.847 -0.462 1 1 121 . 13 1 1 A 16 16 GLN C C 16 175.463 174.996 0.467 1 1 122 . 13 1 1 A 16 16 GLN CA C 16 55.992 54.380 1.612 1 1 123 . 13 1 1 A 16 16 GLN CB C 16 29.159 31.242 -2.083 1 1 125 . 13 1 1 A 16 16 GLN N N 16 123.267 122.252 1.015 1 1 127 . 13 1 1 A 17 17 VAL H H 17 8.983 8.845 0.138 1 1 128 . 13 1 1 A 17 17 VAL HA H 17 3.910 4.152 -0.242 1 1 136 . 13 1 1 A 17 17 VAL C C 17 176.328 175.724 0.604 1 1 137 . 13 1 1 A 17 17 VAL CA C 17 63.807 63.487 0.320 1 1 138 . 13 1 1 A 17 17 VAL CB C 17 33.088 33.042 0.046 1 1 141 . 13 1 1 A 17 17 VAL N N 17 128.880 126.740 2.140 1 1 142 . 13 1 1 A 18 18 SER H H 18 7.740 7.504 0.236 1 1 143 . 13 1 1 A 18 18 SER HA H 18 4.589 4.606 -0.017 1 1 146 . 13 1 1 A 18 18 SER C C 18 171.965 172.239 -0.274 1 1 147 . 13 1 1 A 18 18 SER CA C 18 57.441 56.681 0.760 1 1 148 . 13 1 1 A 18 18 SER CB C 18 64.058 64.615 -0.557 1 1 149 . 13 1 1 A 18 18 SER N N 18 110.447 111.301 -0.854 1 1 150 . 13 1 1 A 19 19 ALA H H 19 8.114 8.414 -0.300 1 1 151 . 13 1 1 A 19 19 ALA HA H 19 5.086 4.817 0.269 1 1 155 . 13 1 1 A 19 19 ALA C C 19 176.404 176.202 0.202 1 1 156 . 13 1 1 A 19 19 ALA CA C 19 52.453 51.681 0.772 1 1 157 . 13 1 1 A 19 19 ALA CB C 19 23.038 22.899 0.139 1 1 158 . 13 1 1 A 19 19 ALA N N 19 121.116 124.498 -3.382 1 1 159 . 13 1 1 A 20 20 THR H H 20 8.710 8.729 -0.019 1 1 160 . 13 1 1 A 20 20 THR HA H 20 4.787 4.883 -0.096 1 1 165 . 13 1 1 A 20 20 THR C C 20 175.596 175.193 0.403 1 1 166 . 13 1 1 A 20 20 THR CA C 20 60.341 60.055 0.286 1 1 167 . 13 1 1 A 20 20 THR CB C 20 71.307 71.029 0.278 1 1 169 . 13 1 1 A 20 20 THR N N 20 110.762 110.847 -0.085 1 1 170 . 13 1 1 A 21 21 MET H H 21 8.686 8.770 -0.084 1 1 171 . 13 1 1 A 21 21 MET HA H 21 4.618 4.318 0.300 1 1 179 . 13 1 1 A 21 21 MET C C 21 174.754 176.649 -1.895 1 1 180 . 13 1 1 A 21 21 MET CA C 21 59.272 57.755 1.517 1 1 181 . 13 1 1 A 21 21 MET CB C 21 34.488 32.864 1.624 1 1 184 . 13 1 1 A 21 21 MET N N 21 118.478 120.537 -2.059 1 1 185 . 13 1 1 A 22 22 ARG H H 22 7.296 7.686 -0.390 1 1 186 . 13 1 1 A 22 22 ARG HA H 22 4.453 4.522 -0.069 1 1 193 . 13 1 1 A 22 22 ARG C C 22 174.722 174.777 -0.055 1 1 194 . 13 1 1 A 22 22 ARG CA C 22 54.218 55.242 -1.024 1 1 195 . 13 1 1 A 22 22 ARG CB C 22 32.509 31.405 1.104 1 1 198 . 13 1 1 A 22 22 ARG N N 22 108.176 117.119 -8.943 1 1 199 . 13 1 1 A 23 23 SER H H 23 7.387 7.506 -0.119 1 1 200 . 13 1 1 A 23 23 SER HA H 23 5.353 5.152 0.201 1 1 203 . 13 1 1 A 23 23 SER C C 23 171.910 172.441 -0.531 1 1 204 . 13 1 1 A 23 23 SER CA C 23 57.230 57.507 -0.277 1 1 205 . 13 1 1 A 23 23 SER CB C 23 68.011 67.249 0.762 1 1 206 . 13 1 1 A 23 23 SER N N 23 114.861 113.843 1.018 1 1 207 . 13 1 1 A 24 24 ILE H H 24 8.061 8.486 -0.425 1 1 208 . 13 1 1 A 24 24 ILE HA H 24 4.470 4.803 -0.333 1 1 218 . 13 1 1 A 24 24 ILE C C 24 174.028 174.588 -0.560 1 1 219 . 13 1 1 A 24 24 ILE CA C 24 61.402 59.925 1.477 1 1 220 . 13 1 1 A 24 24 ILE CB C 24 43.249 41.919 1.330 1 1 224 . 13 1 1 A 24 24 ILE N N 24 116.152 121.734 -5.582 1 1 225 . 13 1 1 A 25 25 THR H H 25 8.584 8.721 -0.137 1 1 226 . 13 1 1 A 25 25 THR HA H 25 5.107 4.994 0.113 1 1 231 . 13 1 1 A 25 25 THR C C 25 173.463 173.439 0.024 1 1 232 . 13 1 1 A 25 25 THR CA C 25 62.127 61.253 0.874 1 1 233 . 13 1 1 A 25 25 THR CB C 25 68.954 70.988 -2.034 1 1 235 . 13 1 1 A 25 25 THR N N 25 122.080 122.889 -0.809 1 1 236 . 13 1 1 A 26 26 LEU H H 26 9.093 8.217 0.876 1 1 237 . 13 1 1 A 26 26 LEU HA H 26 5.427 4.925 0.502 1 1 247 . 13 1 1 A 26 26 LEU C C 26 175.180 175.176 0.004 1 1 248 . 13 1 1 A 26 26 LEU CA C 26 53.181 53.512 -0.331 1 1 249 . 13 1 1 A 26 26 LEU CB C 26 46.902 46.997 -0.095 1 1 253 . 13 1 1 A 26 26 LEU N N 26 128.231 125.727 2.504 1 1 254 . 13 1 1 A 27 27 SER H H 27 9.260 8.917 0.343 1 1 255 . 13 1 1 A 27 27 SER HA H 27 4.757 4.798 -0.041 1 1 258 . 13 1 1 A 27 27 SER C C 27 172.413 172.634 -0.221 1 1 259 . 13 1 1 A 27 27 SER CA C 27 56.912 57.108 -0.196 1 1 260 . 13 1 1 A 27 27 SER CB C 27 66.220 66.102 0.118 1 1 261 . 13 1 1 A 27 27 SER N N 27 115.325 115.388 -0.063 1 1 262 . 13 1 1 A 28 28 TRP H H 28 7.430 7.855 -0.425 1 1 263 . 13 1 1 A 28 28 TRP HA H 28 5.212 5.660 -0.448 1 1 272 . 13 1 1 A 28 28 TRP C C 28 171.555 173.322 -1.767 1 1 273 . 13 1 1 A 28 28 TRP CA C 28 55.143 54.675 0.468 1 1 274 . 13 1 1 A 28 28 TRP CB C 28 28.918 32.334 -3.416 1 1 280 . 13 1 1 A 28 28 TRP N N 28 119.703 123.021 -3.318 1 1 282 . 13 1 1 A 29 29 PRO HA H 29 4.543 4.535 0.008 1 1 289 . 13 1 1 A 29 29 PRO C C 29 175.962 176.260 -0.298 1 1 290 . 13 1 1 A 29 29 PRO CA C 29 61.702 62.908 -1.206 1 1 291 . 13 1 1 A 29 29 PRO CB C 29 32.041 32.131 -0.090 1 1 294 . 13 1 1 A 30 30 GLN H H 30 8.248 8.514 -0.266 1 1 295 . 13 1 1 A 30 30 GLN HA H 30 4.654 4.598 0.056 1 1 302 . 13 1 1 A 30 30 GLN C C 30 174.856 174.958 -0.102 1 1 303 . 13 1 1 A 30 30 GLN CA C 30 54.524 53.960 0.564 1 1 304 . 13 1 1 A 30 30 GLN CB C 30 28.623 29.404 -0.781 1 1 306 . 13 1 1 A 30 30 GLN N N 30 117.321 121.486 -4.165 1 1 308 . 13 1 1 A 31 31 PRO HA H 31 4.116 4.807 -0.691 1 1 315 . 13 1 1 A 31 31 PRO C C 31 175.787 176.082 -0.295 1 1 316 . 13 1 1 A 31 31 PRO CA C 31 63.364 63.050 0.314 1 1 317 . 13 1 1 A 31 31 PRO CB C 31 32.503 33.502 -0.999 1 1 320 . 13 1 1 A 32 32 GLU H H 32 8.367 8.357 0.010 1 1 321 . 13 1 1 A 32 32 GLU HA H 32 4.004 4.510 -0.506 1 1 326 . 13 1 1 A 32 32 GLU C C 32 176.748 176.859 -0.111 1 1 327 . 13 1 1 A 32 32 GLU CA C 32 58.644 56.241 2.403 1 1 328 . 13 1 1 A 32 32 GLU CB C 32 30.271 30.796 -0.525 1 1 330 . 13 1 1 A 32 32 GLU N N 32 122.959 116.977 5.982 1 1 331 . 13 1 1 A 33 33 GLN H H 33 8.220 7.764 0.456 1 1 332 . 13 1 1 A 33 33 GLN HA H 33 4.820 4.865 -0.045 1 1 339 . 13 1 1 A 33 33 GLN C C 33 172.938 174.308 -1.370 1 1 340 . 13 1 1 A 33 33 GLN CA C 33 52.544 53.583 -1.039 1 1 341 . 13 1 1 A 33 33 GLN CB C 33 29.077 29.183 -0.106 1 1 343 . 13 1 1 A 33 33 GLN N N 33 116.413 119.272 -2.859 1 1 345 . 13 1 1 A 34 34 PRO HA H 34 4.039 4.410 -0.371 1 1 352 . 13 1 1 A 34 34 PRO C C 34 175.293 176.788 -1.495 1 1 353 . 13 1 1 A 34 34 PRO CA C 34 64.248 63.846 0.402 1 1 354 . 13 1 1 A 34 34 PRO CB C 34 31.974 31.992 -0.018 1 1 357 . 13 1 1 A 35 35 ASN H H 35 8.478 8.098 0.380 1 1 358 . 13 1 1 A 35 35 ASN HA H 35 4.270 4.363 -0.093 1 1 363 . 13 1 1 A 35 35 ASN C C 35 173.982 174.444 -0.462 1 1 364 . 13 1 1 A 35 35 ASN CA C 35 53.655 54.507 -0.852 1 1 365 . 13 1 1 A 35 35 ASN CB C 35 37.151 36.941 0.210 1 1 366 . 13 1 1 A 35 35 ASN N N 35 111.907 114.880 -2.973 1 1 368 . 13 1 1 A 36 36 GLY H H 36 7.537 8.043 -0.506 1 1 369 . 13 1 1 A 36 36 GLY HA2 H 36 4.247 4.013 0.234 1 1 370 . 13 1 1 A 36 36 GLY HA3 H 36 3.749 4.025 -0.276 1 1 371 . 13 1 1 A 36 36 GLY C C 36 172.062 172.650 -0.588 1 1 372 . 13 1 1 A 36 36 GLY CA C 36 44.147 44.870 -0.723 1 1 373 . 13 1 1 A 36 36 GLY N N 36 105.149 105.881 -0.732 1 1 374 . 13 1 1 A 37 37 ILE H H 37 8.107 8.563 -0.456 1 1 375 . 13 1 1 A 37 37 ILE HA H 37 4.017 3.953 0.064 1 1 385 . 13 1 1 A 37 37 ILE C C 37 176.534 175.885 0.649 1 1 386 . 13 1 1 A 37 37 ILE CA C 37 60.331 62.027 -1.696 1 1 387 . 13 1 1 A 37 37 ILE CB C 37 38.929 37.358 1.571 1 1 391 . 13 1 1 A 37 37 ILE N N 37 120.104 121.454 -1.350 1 1 392 . 13 1 1 A 38 38 ILE H H 38 8.678 8.570 0.108 1 1 393 . 13 1 1 A 38 38 ILE HA H 38 3.695 4.005 -0.310 1 1 403 . 13 1 1 A 38 38 ILE C C 38 176.027 175.494 0.533 1 1 404 . 13 1 1 A 38 38 ILE CA C 38 61.811 61.947 -0.136 1 1 405 . 13 1 1 A 38 38 ILE CB C 38 37.028 36.619 0.409 1 1 409 . 13 1 1 A 38 38 ILE N N 38 127.591 129.489 -1.898 1 1 410 . 13 1 1 A 39 39 LEU H H 39 9.054 8.303 0.751 1 1 411 . 13 1 1 A 39 39 LEU HA H 39 4.188 3.992 0.196 1 1 421 . 13 1 1 A 39 39 LEU C C 39 176.826 176.768 0.058 1 1 422 . 13 1 1 A 39 39 LEU CA C 39 56.416 57.364 -0.948 1 1 423 . 13 1 1 A 39 39 LEU CB C 39 42.664 42.232 0.432 1 1 427 . 13 1 1 A 39 39 LEU N N 39 130.577 129.683 0.894 1 1 428 . 13 1 1 A 40 40 ASP H H 40 7.502 7.578 -0.076 1 1 429 . 13 1 1 A 40 40 ASP HA H 40 4.392 5.100 -0.708 1 1 432 . 13 1 1 A 40 40 ASP C C 40 171.781 174.134 -2.353 1 1 433 . 13 1 1 A 40 40 ASP CA C 40 52.884 52.497 0.387 1 1 434 . 13 1 1 A 40 40 ASP CB C 40 41.985 45.550 -3.565 1 1 435 . 13 1 1 A 40 40 ASP N N 40 112.731 115.849 -3.118 1 1 436 . 13 1 1 A 41 41 TYR H H 41 8.974 9.006 -0.032 1 1 437 . 13 1 1 A 41 41 TYR HA H 41 5.379 5.242 0.137 1 1 444 . 13 1 1 A 41 41 TYR C C 41 175.555 174.473 1.082 1 1 445 . 13 1 1 A 41 41 TYR CA C 41 56.574 56.837 -0.263 1 1 446 . 13 1 1 A 41 41 TYR CB C 41 42.213 41.600 0.613 1 1 449 . 13 1 1 A 41 41 TYR N N 41 111.324 117.552 -6.228 1 1 450 . 13 1 1 A 42 42 GLU H H 42 9.184 9.194 -0.010 1 1 451 . 13 1 1 A 42 42 GLU HA H 42 5.066 5.213 -0.147 1 1 456 . 13 1 1 A 42 42 GLU C C 42 174.368 175.060 -0.692 1 1 457 . 13 1 1 A 42 42 GLU CA C 42 55.126 55.728 -0.602 1 1 458 . 13 1 1 A 42 42 GLU CB C 42 33.471 31.519 1.952 1 1 460 . 13 1 1 A 42 42 GLU N N 42 120.875 124.780 -3.905 1 1 461 . 13 1 1 A 43 43 ILE H H 43 9.355 8.992 0.363 1 1 462 . 13 1 1 A 43 43 ILE HA H 43 4.853 4.985 -0.132 1 1 472 . 13 1 1 A 43 43 ILE C C 43 174.430 174.313 0.117 1 1 473 . 13 1 1 A 43 43 ILE CA C 43 60.323 60.606 -0.283 1 1 474 . 13 1 1 A 43 43 ILE CB C 43 40.297 40.548 -0.251 1 1 478 . 13 1 1 A 43 43 ILE N N 43 126.045 126.364 -0.319 1 1 479 . 13 1 1 A 44 44 ARG H H 44 9.097 9.279 -0.182 1 1 480 . 13 1 1 A 44 44 ARG HA H 44 5.545 4.943 0.602 1 1 487 . 13 1 1 A 44 44 ARG C C 44 175.523 175.135 0.388 1 1 488 . 13 1 1 A 44 44 ARG CA C 44 54.386 54.747 -0.361 1 1 489 . 13 1 1 A 44 44 ARG CB C 44 34.638 31.648 2.990 1 1 492 . 13 1 1 A 44 44 ARG N N 44 127.831 129.674 -1.843 1 1 493 . 13 1 1 A 45 45 TYR H H 45 8.893 9.027 -0.134 1 1 494 . 13 1 1 A 45 45 TYR HA H 45 6.272 5.974 0.298 1 1 501 . 13 1 1 A 45 45 TYR C C 45 173.560 172.943 0.617 1 1 502 . 13 1 1 A 45 45 TYR CA C 45 54.767 55.312 -0.545 1 1 503 . 13 1 1 A 45 45 TYR CB C 45 43.168 42.472 0.696 1 1 508 . 13 1 1 A 45 45 TYR N N 45 123.683 123.278 0.405 1 1 509 . 13 1 1 A 46 46 TYR H H 46 8.479 8.778 -0.299 1 1 510 . 13 1 1 A 46 46 TYR HA H 46 5.048 5.163 -0.115 1 1 517 . 13 1 1 A 46 46 TYR C C 46 173.870 174.008 -0.138 1 1 518 . 13 1 1 A 46 46 TYR CA C 46 55.485 55.651 -0.166 1 1 519 . 13 1 1 A 46 46 TYR CB C 46 39.975 40.699 -0.724 1 1 524 . 13 1 1 A 46 46 TYR N N 46 114.778 117.520 -2.742 1 1 525 . 13 1 1 A 47 47 GLU H H 47 9.111 8.658 0.453 1 1 526 . 13 1 1 A 47 47 GLU HA H 47 3.819 3.966 -0.147 1 1 531 . 13 1 1 A 47 47 GLU C C 47 177.764 177.902 -0.138 1 1 532 . 13 1 1 A 47 47 GLU CA C 47 57.123 57.005 0.118 1 1 533 . 13 1 1 A 47 47 GLU CB C 47 29.773 29.713 0.060 1 1 535 . 13 1 1 A 47 47 GLU N N 47 122.069 120.624 1.445 1 1 536 . 13 1 1 A 48 48 LYS H H 48 8.246 8.517 -0.271 1 1 537 . 13 1 1 A 48 48 LYS HA H 48 3.722 3.971 -0.249 1 1 546 . 13 1 1 A 48 48 LYS C C 48 176.588 178.279 -1.691 1 1 547 . 13 1 1 A 48 48 LYS CA C 48 59.774 59.502 0.272 1 1 548 . 13 1 1 A 48 48 LYS CB C 48 33.032 32.278 0.754 1 1 552 . 13 1 1 A 48 48 LYS N N 48 122.857 125.870 -3.013 1 1 553 . 13 1 1 A 49 49 GLU H H 49 8.192 7.813 0.379 1 1 554 . 13 1 1 A 49 49 GLU HA H 49 4.216 4.269 -0.053 1 1 559 . 13 1 1 A 49 49 GLU C C 49 176.987 177.607 -0.620 1 1 560 . 13 1 1 A 49 49 GLU CA C 49 57.447 58.833 -1.386 1 1 561 . 13 1 1 A 49 49 GLU CB C 49 28.987 30.057 -1.070 1 1 563 . 13 1 1 A 49 49 GLU N N 49 114.305 116.828 -2.523 1 1 564 . 13 1 1 A 50 50 HIS H H 50 8.329 8.084 0.245 1 1 565 . 13 1 1 A 50 50 HIS HA H 50 4.928 4.639 0.289 1 1 570 . 13 1 1 A 50 50 HIS C C 50 173.255 175.254 -1.999 1 1 571 . 13 1 1 A 50 50 HIS CA C 50 54.372 56.662 -2.290 1 1 572 . 13 1 1 A 50 50 HIS CB C 50 31.082 30.590 0.492 1 1 575 . 13 1 1 A 50 50 HIS N N 50 120.021 118.320 1.701 1 1 576 . 13 1 1 A 51 51 ASN H H 51 7.687 8.809 -1.122 1 1 577 . 13 1 1 A 51 51 ASN HA H 51 4.259 4.632 -0.373 1 1 582 . 13 1 1 A 51 51 ASN C C 51 174.779 175.686 -0.907 1 1 583 . 13 1 1 A 51 51 ASN CA C 51 52.561 51.670 0.891 1 1 584 . 13 1 1 A 51 51 ASN CB C 51 39.474 41.346 -1.872 1 1 585 . 13 1 1 A 51 51 ASN N N 51 114.158 118.389 -4.231 1 1 587 . 13 1 1 A 52 52 GLU H H 52 8.551 8.718 -0.167 1 1 588 . 13 1 1 A 52 52 GLU HA H 52 2.797 3.718 -0.921 1 1 593 . 13 1 1 A 52 52 GLU C C 52 177.117 178.810 -1.693 1 1 594 . 13 1 1 A 52 52 GLU CA C 52 58.155 59.295 -1.140 1 1 595 . 13 1 1 A 52 52 GLU CB C 52 28.912 28.900 0.012 1 1 597 . 13 1 1 A 52 52 GLU N N 52 117.019 121.296 -4.277 1 1 598 . 13 1 1 A 53 53 PHE H H 53 7.855 8.113 -0.258 1 1 599 . 13 1 1 A 53 53 PHE HA H 53 4.371 4.289 0.082 1 1 607 . 13 1 1 A 53 53 PHE C C 53 175.783 176.995 -1.212 1 1 608 . 13 1 1 A 53 53 PHE CA C 53 58.785 60.601 -1.816 1 1 609 . 13 1 1 A 53 53 PHE CB C 53 37.747 38.868 -1.121 1 1 615 . 13 1 1 A 53 53 PHE N N 53 119.462 119.111 0.351 1 1 616 . 13 1 1 A 54 54 ASN H H 54 7.744 7.794 -0.050 1 1 617 . 13 1 1 A 54 54 ASN HA H 54 4.948 4.844 0.104 1 1 622 . 13 1 1 A 54 54 ASN C C 54 173.922 174.221 -0.299 1 1 623 . 13 1 1 A 54 54 ASN CA C 54 52.102 51.954 0.148 1 1 624 . 13 1 1 A 54 54 ASN CB C 54 38.637 37.161 1.476 1 1 625 . 13 1 1 A 54 54 ASN N N 54 120.451 116.230 4.221 1 1 627 . 13 1 1 A 55 55 SER H H 55 7.469 7.665 -0.196 1 1 628 . 13 1 1 A 55 55 SER HA H 55 4.710 5.435 -0.725 1 1 631 . 13 1 1 A 55 55 SER C C 55 173.922 173.809 0.113 1 1 632 . 13 1 1 A 55 55 SER CA C 55 57.883 55.587 2.296 1 1 633 . 13 1 1 A 55 55 SER CB C 55 66.064 66.246 -0.182 1 1 634 . 13 1 1 A 55 55 SER N N 55 113.429 114.201 -0.772 1 1 635 . 13 1 1 A 56 56 SER H H 56 8.458 8.577 -0.119 1 1 636 . 13 1 1 A 56 56 SER HA H 56 4.632 5.162 -0.530 1 1 639 . 13 1 1 A 56 56 SER C C 56 171.119 173.258 -2.139 1 1 640 . 13 1 1 A 56 56 SER CA C 56 57.866 57.279 0.587 1 1 641 . 13 1 1 A 56 56 SER CB C 56 65.164 64.940 0.224 1 1 642 . 13 1 1 A 56 56 SER N N 56 116.653 117.740 -1.087 1 1 643 . 13 1 1 A 57 57 MET H H 57 8.355 9.168 -0.813 1 1 644 . 13 1 1 A 57 57 MET HA H 57 5.776 5.806 -0.030 1 1 652 . 13 1 1 A 57 57 MET C C 57 175.771 174.563 1.208 1 1 653 . 13 1 1 A 57 57 MET CA C 57 53.913 52.907 1.006 1 1 654 . 13 1 1 A 57 57 MET CB C 57 36.115 36.038 0.077 1 1 657 . 13 1 1 A 57 57 MET N N 57 119.463 123.364 -3.901 1 1 658 . 13 1 1 A 58 58 ALA H H 58 9.547 9.066 0.481 1 1 659 . 13 1 1 A 58 58 ALA HA H 58 4.890 5.321 -0.431 1 1 663 . 13 1 1 A 58 58 ALA C C 58 175.328 175.962 -0.634 1 1 664 . 13 1 1 A 58 58 ALA CA C 58 50.829 50.699 0.130 1 1 665 . 13 1 1 A 58 58 ALA CB C 58 22.649 24.340 -1.691 1 1 666 . 13 1 1 A 58 58 ALA N N 58 127.410 121.635 5.775 1 1 667 . 13 1 1 A 59 59 ARG H H 59 8.776 8.540 0.236 1 1 668 . 13 1 1 A 59 59 ARG HA H 59 5.567 5.091 0.476 1 1 675 . 13 1 1 A 59 59 ARG C C 59 176.336 175.323 1.013 1 1 676 . 13 1 1 A 59 59 ARG CA C 59 54.843 55.102 -0.259 1 1 677 . 13 1 1 A 59 59 ARG CB C 59 33.691 33.130 0.561 1 1 680 . 13 1 1 A 59 59 ARG N N 59 119.945 119.082 0.863 1 1 681 . 13 1 1 A 60 60 SER H H 60 8.919 8.582 0.337 1 1 682 . 13 1 1 A 60 60 SER HA H 60 5.011 5.324 -0.313 1 1 685 . 13 1 1 A 60 60 SER C C 60 174.614 173.650 0.964 1 1 686 . 13 1 1 A 60 60 SER CA C 60 56.752 56.913 -0.161 1 1 687 . 13 1 1 A 60 60 SER CB C 60 66.198 65.437 0.761 1 1 688 . 13 1 1 A 60 60 SER N N 60 115.274 116.413 -1.139 1 1 689 . 13 1 1 A 61 61 GLN H H 61 9.367 8.794 0.573 1 1 690 . 13 1 1 A 61 61 GLN HA H 61 4.556 4.617 -0.061 1 1 697 . 13 1 1 A 61 61 GLN C C 61 175.391 175.132 0.259 1 1 698 . 13 1 1 A 61 61 GLN CA C 61 57.664 56.399 1.265 1 1 699 . 13 1 1 A 61 61 GLN CB C 61 29.763 29.202 0.561 1 1 701 . 13 1 1 A 61 61 GLN N N 61 124.808 123.766 1.042 1 1 703 . 13 1 1 A 62 62 THR H H 62 8.075 7.576 0.499 1 1 704 . 13 1 1 A 62 62 THR HA H 62 4.918 4.526 0.392 1 1 709 . 13 1 1 A 62 62 THR C C 62 173.106 172.642 0.464 1 1 710 . 13 1 1 A 62 62 THR CA C 62 59.369 60.367 -0.998 1 1 711 . 13 1 1 A 62 62 THR CB C 62 70.607 69.326 1.281 1 1 713 . 13 1 1 A 62 62 THR N N 62 110.260 113.749 -3.489 1 1 714 . 13 1 1 A 63 63 ASN H H 63 8.575 8.283 0.292 1 1 715 . 13 1 1 A 63 63 ASN HA H 63 3.457 3.929 -0.472 1 1 720 . 13 1 1 A 63 63 ASN C C 63 172.343 173.451 -1.108 1 1 721 . 13 1 1 A 63 63 ASN CA C 63 53.270 52.569 0.701 1 1 722 . 13 1 1 A 63 63 ASN CB C 63 34.441 38.416 -3.975 1 1 723 . 13 1 1 A 63 63 ASN N N 63 119.090 120.788 -1.698 1 1 725 . 13 1 1 A 64 64 THR H H 64 6.850 7.204 -0.354 1 1 726 . 13 1 1 A 64 64 THR HA H 64 4.296 4.121 0.175 1 1 731 . 13 1 1 A 64 64 THR C C 64 172.238 171.967 0.271 1 1 732 . 13 1 1 A 64 64 THR CA C 64 60.501 61.025 -0.524 1 1 733 . 13 1 1 A 64 64 THR CB C 64 71.252 71.316 -0.064 1 1 735 . 13 1 1 A 64 64 THR N N 64 111.612 113.792 -2.180 1 1 736 . 13 1 1 A 65 65 ALA H H 65 8.619 8.829 -0.210 1 1 737 . 13 1 1 A 65 65 ALA HA H 65 4.595 5.109 -0.514 1 1 741 . 13 1 1 A 65 65 ALA C C 65 174.046 174.887 -0.841 1 1 742 . 13 1 1 A 65 65 ALA CA C 65 52.102 50.929 1.173 1 1 743 . 13 1 1 A 65 65 ALA CB C 65 22.427 23.442 -1.015 1 1 744 . 13 1 1 A 65 65 ALA N N 65 124.370 130.302 -5.932 1 1 745 . 13 1 1 A 66 66 ARG H H 66 8.533 8.746 -0.213 1 1 746 . 13 1 1 A 66 66 ARG HA H 66 4.973 5.066 -0.093 1 1 753 . 13 1 1 A 66 66 ARG C C 66 175.240 174.540 0.700 1 1 754 . 13 1 1 A 66 66 ARG CA C 66 54.560 54.413 0.147 1 1 755 . 13 1 1 A 66 66 ARG CB C 66 32.088 33.713 -1.625 1 1 758 . 13 1 1 A 66 66 ARG N N 66 122.633 121.502 1.131 1 1 759 . 13 1 1 A 67 67 ILE H H 67 8.967 8.981 -0.014 1 1 760 . 13 1 1 A 67 67 ILE HA H 67 4.013 4.492 -0.479 1 1 770 . 13 1 1 A 67 67 ILE C C 67 174.026 174.799 -0.773 1 1 771 . 13 1 1 A 67 67 ILE CA C 67 60.377 59.674 0.703 1 1 772 . 13 1 1 A 67 67 ILE CB C 67 38.044 38.201 -0.157 1 1 776 . 13 1 1 A 67 67 ILE N N 67 128.560 127.065 1.495 1 1 777 . 13 1 1 A 68 68 ASP H H 68 8.117 8.578 -0.461 1 1 778 . 13 1 1 A 68 68 ASP HA H 68 5.060 5.408 -0.348 1 1 781 . 13 1 1 A 68 68 ASP C C 68 175.792 175.907 -0.115 1 1 782 . 13 1 1 A 68 68 ASP CA C 68 52.474 52.143 0.331 1 1 783 . 13 1 1 A 68 68 ASP CB C 68 44.116 44.111 0.005 1 1 784 . 13 1 1 A 68 68 ASP N N 68 125.243 125.108 0.135 1 1 785 . 13 1 1 A 69 69 GLY H H 69 8.568 8.862 -0.294 1 1 786 . 13 1 1 A 69 69 GLY HA2 H 69 3.951 3.941 0.010 1 1 787 . 13 1 1 A 69 69 GLY HA3 H 69 3.830 3.943 -0.113 1 1 788 . 13 1 1 A 69 69 GLY C C 69 175.359 174.045 1.314 1 1 789 . 13 1 1 A 69 69 GLY CA C 69 46.356 46.171 0.185 1 1 790 . 13 1 1 A 69 69 GLY N N 69 105.736 111.005 -5.269 1 1 791 . 13 1 1 A 70 70 LEU H H 70 7.982 7.455 0.527 1 1 792 . 13 1 1 A 70 70 LEU HA H 70 4.356 4.826 -0.470 1 1 802 . 13 1 1 A 70 70 LEU C C 70 175.151 175.408 -0.257 1 1 803 . 13 1 1 A 70 70 LEU CA C 70 53.110 53.082 0.028 1 1 804 . 13 1 1 A 70 70 LEU CB C 70 40.992 45.213 -4.221 1 1 808 . 13 1 1 A 70 70 LEU N N 70 118.817 119.789 -0.972 1 1 809 . 13 1 1 A 71 71 ARG H H 71 8.148 8.413 -0.265 1 1 810 . 13 1 1 A 71 71 ARG HA H 71 4.922 4.826 0.096 1 1 817 . 13 1 1 A 71 71 ARG C C 71 174.419 173.931 0.488 1 1 818 . 13 1 1 A 71 71 ARG CA C 71 53.534 53.244 0.290 1 1 819 . 13 1 1 A 71 71 ARG CB C 71 32.001 30.911 1.090 1 1 822 . 13 1 1 A 71 71 ARG N N 71 118.182 120.756 -2.574 1 1 823 . 13 1 1 A 72 72 PRO HA H 72 5.168 4.676 0.492 1 1 830 . 13 1 1 A 72 72 PRO C C 72 178.121 177.676 0.445 1 1 831 . 13 1 1 A 72 72 PRO CA C 72 63.416 63.648 -0.232 1 1 832 . 13 1 1 A 72 72 PRO CB C 72 32.908 31.456 1.452 1 1 835 . 13 1 1 A 73 73 GLY H H 73 7.705 8.764 -1.059 1 1 836 . 13 1 1 A 73 73 GLY HA2 H 73 3.856 3.959 -0.103 1 1 837 . 13 1 1 A 73 73 GLY HA3 H 73 3.508 3.967 -0.459 1 1 838 . 13 1 1 A 73 73 GLY C C 73 173.685 173.850 -0.165 1 1 839 . 13 1 1 A 73 73 GLY CA C 73 46.731 46.432 0.299 1 1 840 . 13 1 1 A 73 73 GLY N N 73 112.669 111.960 0.709 1 1 841 . 13 1 1 A 74 74 MET H H 74 7.511 7.437 0.074 1 1 842 . 13 1 1 A 74 74 MET HA H 74 4.742 4.885 -0.143 1 1 850 . 13 1 1 A 74 74 MET C C 74 173.525 174.746 -1.221 1 1 851 . 13 1 1 A 74 74 MET CA C 74 53.216 54.428 -1.212 1 1 852 . 13 1 1 A 74 74 MET CB C 74 33.610 35.988 -2.378 1 1 855 . 13 1 1 A 74 74 MET N N 74 119.820 119.474 0.346 1 1 856 . 13 1 1 A 75 75 VAL H H 75 7.651 8.691 -1.040 1 1 857 . 13 1 1 A 75 75 VAL HA H 75 4.361 4.499 -0.138 1 1 865 . 13 1 1 A 75 75 VAL C C 75 174.677 174.706 -0.029 1 1 866 . 13 1 1 A 75 75 VAL CA C 75 61.581 62.011 -0.430 1 1 867 . 13 1 1 A 75 75 VAL CB C 75 32.345 32.105 0.240 1 1 870 . 13 1 1 A 75 75 VAL N N 75 121.287 125.781 -4.494 1 1 871 . 13 1 1 A 76 76 TYR H H 76 9.405 8.933 0.472 1 1 872 . 13 1 1 A 76 76 TYR HA H 76 4.743 5.057 -0.314 1 1 879 . 13 1 1 A 76 76 TYR C C 76 174.740 175.119 -0.379 1 1 880 . 13 1 1 A 76 76 TYR CA C 76 57.424 56.492 0.932 1 1 881 . 13 1 1 A 76 76 TYR CB C 76 41.151 41.119 0.032 1 1 886 . 13 1 1 A 76 76 TYR N N 76 126.231 125.099 1.132 1 1 887 . 13 1 1 A 77 77 VAL H H 77 8.867 8.471 0.396 1 1 888 . 13 1 1 A 77 77 VAL HA H 77 4.318 4.182 0.136 1 1 896 . 13 1 1 A 77 77 VAL C C 77 175.773 175.281 0.492 1 1 897 . 13 1 1 A 77 77 VAL CA C 77 61.473 62.831 -1.358 1 1 898 . 13 1 1 A 77 77 VAL CB C 77 31.218 30.346 0.872 1 1 901 . 13 1 1 A 77 77 VAL N N 77 123.699 124.609 -0.910 1 1 902 . 13 1 1 A 78 78 VAL H H 78 8.683 8.544 0.139 1 1 903 . 13 1 1 A 78 78 VAL HA H 78 4.995 4.913 0.082 1 1 911 . 13 1 1 A 78 78 VAL C C 78 175.275 175.104 0.171 1 1 912 . 13 1 1 A 78 78 VAL CA C 78 60.942 61.239 -0.297 1 1 913 . 13 1 1 A 78 78 VAL CB C 78 34.790 33.317 1.473 1 1 916 . 13 1 1 A 78 78 VAL N N 78 124.155 128.602 -4.447 1 1 917 . 13 1 1 A 79 79 GLN H H 79 8.613 8.203 0.410 1 1 918 . 13 1 1 A 79 79 GLN HA H 79 4.511 5.052 -0.541 1 1 925 . 13 1 1 A 79 79 GLN C C 79 173.361 174.119 -0.758 1 1 926 . 13 1 1 A 79 79 GLN CA C 79 54.666 54.007 0.659 1 1 927 . 13 1 1 A 79 79 GLN CB C 79 36.751 33.285 3.466 1 1 929 . 13 1 1 A 79 79 GLN N N 79 121.693 123.122 -1.429 1 1 931 . 13 1 1 A 80 80 VAL H H 80 9.019 8.769 0.250 1 1 932 . 13 1 1 A 80 80 VAL HA H 80 5.801 4.943 0.858 1 1 940 . 13 1 1 A 80 80 VAL C C 80 174.526 173.707 0.819 1 1 941 . 13 1 1 A 80 80 VAL CA C 80 58.750 59.627 -0.877 1 1 942 . 13 1 1 A 80 80 VAL CB C 80 35.479 34.663 0.816 1 1 945 . 13 1 1 A 80 80 VAL N N 80 118.559 119.711 -1.152 1 1 946 . 13 1 1 A 81 81 ARG H H 81 9.199 8.447 0.752 1 1 947 . 13 1 1 A 81 81 ARG HA H 81 4.951 4.847 0.104 1 1 955 . 13 1 1 A 81 81 ARG C C 81 172.660 174.072 -1.412 1 1 956 . 13 1 1 A 81 81 ARG CA C 81 54.295 53.653 0.642 1 1 957 . 13 1 1 A 81 81 ARG CB C 81 33.750 33.294 0.456 1 1 960 . 13 1 1 A 81 81 ARG N N 81 125.225 125.804 -0.579 1 1 962 . 13 1 1 A 82 82 ALA H H 82 8.762 8.697 0.065 1 1 963 . 13 1 1 A 82 82 ALA HA H 82 4.820 5.336 -0.516 1 1 967 . 13 1 1 A 82 82 ALA C C 82 174.783 175.572 -0.789 1 1 968 . 13 1 1 A 82 82 ALA CA C 82 50.741 49.933 0.808 1 1 969 . 13 1 1 A 82 82 ALA CB C 82 22.383 21.483 0.900 1 1 970 . 13 1 1 A 82 82 ALA N N 82 124.292 122.907 1.385 1 1 971 . 13 1 1 A 83 83 ARG H H 83 8.336 8.739 -0.403 1 1 972 . 13 1 1 A 83 83 ARG HA H 83 4.737 4.937 -0.200 1 1 980 . 13 1 1 A 83 83 ARG C C 83 175.290 174.270 1.020 1 1 981 . 13 1 1 A 83 83 ARG CA C 83 55.727 53.939 1.788 1 1 982 . 13 1 1 A 83 83 ARG CB C 83 34.562 33.696 0.866 1 1 985 . 13 1 1 A 83 83 ARG N N 83 121.023 122.708 -1.685 1 1 987 . 13 1 1 A 84 84 THR H H 84 8.485 8.361 0.124 1 1 988 . 13 1 1 A 84 84 THR HA H 84 4.875 4.657 0.218 1 1 993 . 13 1 1 A 84 84 THR C C 84 176.218 174.700 1.518 1 1 994 . 13 1 1 A 84 84 THR CA C 84 59.475 59.296 0.179 1 1 995 . 13 1 1 A 84 84 THR CB C 84 72.440 71.790 0.650 1 1 997 . 13 1 1 A 84 84 THR N N 84 116.374 115.567 0.807 1 1 998 . 13 1 1 A 85 85 VAL H H 85 9.283 8.842 0.441 1 1 999 . 13 1 1 A 85 85 VAL HA H 85 3.794 3.769 0.025 1 1 1007 . 13 1 1 A 85 85 VAL C C 85 175.930 177.527 -1.597 1 1 1008 . 13 1 1 A 85 85 VAL CA C 85 64.934 65.022 -0.088 1 1 1009 . 13 1 1 A 85 85 VAL CB C 85 31.621 31.613 0.008 1 1 1012 . 13 1 1 A 85 85 VAL N N 85 119.099 122.406 -3.307 1 1 1013 . 13 1 1 A 86 86 ALA H H 86 7.840 7.823 0.017 1 1 1014 . 13 1 1 A 86 86 ALA HA H 86 4.242 4.052 0.190 1 1 1018 . 13 1 1 A 86 86 ALA C C 86 177.467 177.727 -0.260 1 1 1019 . 13 1 1 A 86 86 ALA CA C 86 52.774 54.798 -2.024 1 1 1020 . 13 1 1 A 86 86 ALA CB C 86 19.733 19.922 -0.189 1 1 1021 . 13 1 1 A 86 86 ALA N N 86 121.263 122.695 -1.432 1 1 1022 . 13 1 1 A 87 87 GLY H H 87 7.365 7.163 0.202 1 1 1023 . 13 1 1 A 87 87 GLY HA2 H 87 4.402 4.062 0.340 1 1 1024 . 13 1 1 A 87 87 GLY HA3 H 87 3.588 4.088 -0.500 1 1 1025 . 13 1 1 A 87 87 GLY C C 87 171.960 171.223 0.737 1 1 1026 . 13 1 1 A 87 87 GLY CA C 87 44.170 45.754 -1.584 1 1 1027 . 13 1 1 A 87 87 GLY N N 87 105.736 102.120 3.616 1 1 1028 . 13 1 1 A 88 88 TYR H H 88 8.444 8.632 -0.188 1 1 1029 . 13 1 1 A 88 88 TYR HA H 88 5.063 4.772 0.291 1 1 1036 . 13 1 1 A 88 88 TYR C C 88 179.239 175.715 3.524 1 1 1037 . 13 1 1 A 88 88 TYR CA C 88 58.308 57.338 0.970 1 1 1038 . 13 1 1 A 88 88 TYR CB C 88 41.442 39.425 2.017 1 1 1043 . 13 1 1 A 88 88 TYR N N 88 116.996 120.013 -3.017 1 1 1044 . 13 1 1 A 89 89 GLY H H 89 8.676 8.522 0.154 1 1 1045 . 13 1 1 A 89 89 GLY HA2 H 89 4.324 4.192 0.132 1 1 1046 . 13 1 1 A 89 89 GLY HA3 H 89 3.973 4.225 -0.252 1 1 1047 . 13 1 1 A 89 89 GLY C C 89 173.844 173.297 0.547 1 1 1048 . 13 1 1 A 89 89 GLY CA C 89 43.916 44.168 -0.252 1 1 1049 . 13 1 1 A 89 89 GLY N N 89 107.850 110.448 -2.598 1 1 1050 . 13 1 1 A 90 90 LYS H H 90 8.711 8.230 0.481 1 1 1051 . 13 1 1 A 90 90 LYS HA H 90 4.166 4.184 -0.018 1 1 1060 . 13 1 1 A 90 90 LYS C C 90 177.819 175.859 1.960 1 1 1061 . 13 1 1 A 90 90 LYS CA C 90 56.162 56.096 0.066 1 1 1062 . 13 1 1 A 90 90 LYS CB C 90 32.730 32.812 -0.082 1 1 1066 . 13 1 1 A 90 90 LYS N N 90 119.382 118.165 1.217 1 1 1067 . 13 1 1 A 91 91 PHE H H 91 8.698 8.826 -0.128 1 1 1068 . 13 1 1 A 91 91 PHE HA H 91 4.241 4.854 -0.613 1 1 1076 . 13 1 1 A 91 91 PHE C C 91 176.805 175.946 0.859 1 1 1077 . 13 1 1 A 91 91 PHE CA C 91 61.027 58.139 2.888 1 1 1078 . 13 1 1 A 91 91 PHE CB C 91 39.995 40.586 -0.591 1 1 1084 . 13 1 1 A 91 91 PHE N N 91 120.691 120.543 0.148 1 1 1085 . 13 1 1 A 92 92 SER H H 92 8.311 8.676 -0.365 1 1 1086 . 13 1 1 A 92 92 SER HA H 92 4.259 4.678 -0.419 1 1 1089 . 13 1 1 A 92 92 SER C C 92 173.499 175.185 -1.686 1 1 1090 . 13 1 1 A 92 92 SER CA C 92 58.146 57.574 0.572 1 1 1091 . 13 1 1 A 92 92 SER CB C 92 65.329 65.516 -0.187 1 1 1092 . 13 1 1 A 92 92 SER N N 92 115.098 115.454 -0.356 1 1 1093 . 13 1 1 A 93 93 GLY H H 93 8.869 8.488 0.381 1 1 1094 . 13 1 1 A 93 93 GLY HA2 H 93 4.071 4.047 0.024 1 1 1095 . 13 1 1 A 93 93 GLY HA3 H 93 3.780 4.056 -0.276 1 1 1096 . 13 1 1 A 93 93 GLY C C 93 174.375 173.118 1.257 1 1 1097 . 13 1 1 A 93 93 GLY CA C 93 45.331 45.461 -0.130 1 1 1098 . 13 1 1 A 93 93 GLY N N 93 106.252 107.926 -1.674 1 1 1099 . 13 1 1 A 94 94 LYS H H 94 8.619 8.494 0.125 1 1 1100 . 13 1 1 A 94 94 LYS HA H 94 3.633 4.697 -1.064 1 1 1109 . 13 1 1 A 94 94 LYS C C 94 176.004 175.078 0.926 1 1 1110 . 13 1 1 A 94 94 LYS CA C 94 59.068 55.456 3.612 1 1 1111 . 13 1 1 A 94 94 LYS CB C 94 33.072 33.539 -0.467 1 1 1115 . 13 1 1 A 94 94 LYS N N 94 122.645 122.748 -0.103 1 1 1116 . 13 1 1 A 95 95 MET H H 95 7.547 8.971 -1.424 1 1 1117 . 13 1 1 A 95 95 MET HA H 95 4.520 5.071 -0.551 1 1 1125 . 13 1 1 A 95 95 MET C C 95 173.400 174.030 -0.630 1 1 1126 . 13 1 1 A 95 95 MET CA C 95 54.701 53.723 0.978 1 1 1127 . 13 1 1 A 95 95 MET CB C 95 37.784 35.394 2.390 1 1 1130 . 13 1 1 A 95 95 MET N N 95 122.392 126.407 -4.015 1 1 1131 . 13 1 1 A 96 96 CYS H H 96 7.888 8.645 -0.757 1 1 1132 . 13 1 1 A 96 96 CYS HA H 96 5.465 5.138 0.327 1 1 1135 . 13 1 1 A 96 96 CYS C C 96 173.757 172.892 0.865 1 1 1136 . 13 1 1 A 96 96 CYS CA C 96 57.353 57.076 0.277 1 1 1137 . 13 1 1 A 96 96 CYS CB C 96 29.941 28.928 1.013 1 1 1138 . 13 1 1 A 96 96 CYS N N 96 117.124 121.754 -4.630 1 1 1139 . 13 1 1 A 97 97 PHE H H 97 9.133 8.802 0.331 1 1 1140 . 13 1 1 A 97 97 PHE HA H 97 4.879 5.145 -0.266 1 1 1148 . 13 1 1 A 97 97 PHE C C 97 173.309 175.366 -2.057 1 1 1149 . 13 1 1 A 97 97 PHE CA C 97 56.983 56.452 0.531 1 1 1150 . 13 1 1 A 97 97 PHE CB C 97 44.074 41.459 2.615 1 1 1156 . 13 1 1 A 97 97 PHE N N 97 121.239 123.317 -2.078 1 1 1157 . 13 1 1 A 98 98 GLN H H 98 8.884 8.881 0.003 1 1 1158 . 13 1 1 A 98 98 GLN HA H 98 5.809 5.263 0.546 1 1 1165 . 13 1 1 A 98 98 GLN C C 98 176.454 175.774 0.680 1 1 1166 . 13 1 1 A 98 98 GLN CA C 98 54.125 54.698 -0.573 1 1 1167 . 13 1 1 A 98 98 GLN CB C 98 33.444 30.830 2.614 1 1 1169 . 13 1 1 A 98 98 GLN N N 98 120.699 121.753 -1.054 1 1 1171 . 13 1 1 A 99 99 THR H H 99 8.176 8.224 -0.048 1 1 1172 . 13 1 1 A 99 99 THR HA H 99 4.324 4.626 -0.302 1 1 1177 . 13 1 1 A 99 99 THR C C 99 175.929 174.282 1.647 1 1 1178 . 13 1 1 A 99 99 THR CA C 99 60.341 61.226 -0.885 1 1 1179 . 13 1 1 A 99 99 THR CB C 99 70.070 71.617 -1.547 1 1 1181 . 13 1 1 A 99 99 THR N N 99 112.214 112.749 -0.535 1 1 1182 . 13 1 1 A 100 100 LEU H H 100 7.368 8.280 -0.912 1 1 1183 . 13 1 1 A 100 100 LEU HA H 100 4.310 4.400 -0.090 1 1 1193 . 13 1 1 A 100 100 LEU C C 100 177.359 176.525 0.834 1 1 1194 . 13 1 1 A 100 100 LEU CA C 100 54.790 55.272 -0.482 1 1 1195 . 13 1 1 A 100 100 LEU CB C 100 42.096 42.348 -0.252 1 1 1199 . 13 1 1 A 100 100 LEU N N 100 117.018 122.514 -5.496 1 1 1200 . 13 1 1 A 101 101 THR H H 101 7.997 8.471 -0.474 1 1 1201 . 13 1 1 A 101 101 THR HA H 101 4.123 4.828 -0.705 1 1 1206 . 13 1 1 A 101 101 THR C C 101 174.014 174.695 -0.681 1 1 1207 . 13 1 1 A 101 101 THR CA C 101 61.968 60.864 1.104 1 1 1208 . 13 1 1 A 101 101 THR CB C 101 70.172 69.282 0.890 1 1 1210 . 13 1 1 A 101 101 THR N N 101 110.428 116.047 -5.619 1 1 1211 . 13 1 1 A 102 102 ASP H H 102 8.320 8.716 -0.396 1 1 1212 . 13 1 1 A 102 102 ASP HA H 102 4.853 4.296 0.557 1 1 1215 . 13 1 1 A 102 102 ASP C C 102 176.204 177.134 -0.930 1 1 1216 . 13 1 1 A 102 102 ASP CA C 102 53.694 57.745 -4.051 1 1 1217 . 13 1 1 A 102 102 ASP CB C 102 41.808 40.715 1.093 1 1 1218 . 13 1 1 A 102 102 ASP N N 102 120.693 126.125 -5.432 1 1 1219 . 13 1 1 A 103 103 SER H H 103 8.294 7.681 0.613 1 1 1220 . 13 1 1 A 103 103 SER HA H 103 4.486 4.337 0.149 1 1 1223 . 13 1 1 A 103 103 SER C C 103 174.875 175.294 -0.419 1 1 1224 . 13 1 1 A 103 103 SER CA C 103 58.361 58.250 0.111 1 1 1225 . 13 1 1 A 103 103 SER CB C 103 63.942 63.602 0.340 1 1 1226 . 13 1 1 A 103 103 SER N N 103 117.442 115.136 2.306 1 1 1227 . 13 1 1 A 104 104 GLY H H 104 8.393 8.776 -0.383 1 1 1228 . 13 1 1 A 104 104 GLY HA2 H 104 4.104 3.986 0.118 1 1 1229 . 13 1 1 A 104 104 GLY HA3 H 104 4.104 3.987 0.117 1 1 1230 . 13 1 1 A 104 104 GLY C C 104 172.016 173.240 -1.224 1 1 1231 . 13 1 1 A 104 104 GLY CA C 104 44.800 44.944 -0.144 1 1 1232 . 13 1 1 A 104 104 GLY N N 104 111.065 114.555 -3.490 1 1 1233 . 13 1 1 A 105 105 PRO HA H 105 4.475 4.624 -0.149 1 1 1240 . 13 1 1 A 105 105 PRO C C 105 177.464 175.764 1.700 1 1 1241 . 13 1 1 A 105 105 PRO CA C 105 63.329 62.524 0.805 1 1 1242 . 13 1 1 A 105 105 PRO CB C 105 32.249 33.192 -0.943 1 1 1245 . 13 1 1 A 106 106 SER H H 106 8.514 8.710 -0.196 1 1 1246 . 13 1 1 A 106 106 SER HA H 106 4.512 4.675 -0.163 1 1 1249 . 13 1 1 A 106 106 SER C C 106 174.735 173.815 0.920 1 1 1250 . 13 1 1 A 106 106 SER CA C 106 58.361 57.144 1.217 1 1 1251 . 13 1 1 A 106 106 SER CB C 106 63.820 63.312 0.508 1 1 1252 . 13 1 1 A 106 106 SER N N 106 116.429 117.938 -1.509 1 1 1253 . 13 1 1 A 107 107 SER H H 107 8.329 8.453 -0.124 1 1 1254 . 13 1 1 A 107 107 SER HA H 107 4.512 4.065 0.447 1 1 1257 . 13 1 1 A 107 107 SER C C 107 174.004 173.637 0.367 1 1 1258 . 13 1 1 A 107 107 SER CA C 107 58.414 59.288 -0.874 1 1 1259 . 13 1 1 A 107 107 SER CB C 107 64.014 62.083 1.931 1 1 1260 . 13 1 1 A 107 107 SER N N 107 117.919 118.548 -0.629 1 1 1 . 14 1 1 A 6 6 SER HA H 6 4.523 4.490 0.033 1 1 3 . 14 1 1 A 6 6 SER CA C 6 58.535 59.168 -0.633 1 1 4 . 14 1 1 A 6 6 SER CB C 6 64.106 63.619 0.487 1 1 5 . 14 1 1 A 7 7 GLY H H 7 8.202 8.438 -0.236 1 1 6 . 14 1 1 A 7 7 GLY HA2 H 7 3.881 4.304 -0.423 1 1 7 . 14 1 1 A 7 7 GLY HA3 H 7 3.740 4.310 -0.570 1 1 8 . 14 1 1 A 7 7 GLY CA C 7 44.322 45.024 -0.702 1 1 9 . 14 1 1 A 7 7 GLY N N 7 109.573 112.850 -3.277 1 1 10 . 14 1 1 A 8 8 PRO HA H 8 4.641 4.569 0.072 1 1 17 . 14 1 1 A 8 8 PRO C C 8 176.480 176.648 -0.168 1 1 18 . 14 1 1 A 8 8 PRO CA C 8 62.582 62.545 0.037 1 1 19 . 14 1 1 A 8 8 PRO CB C 8 32.331 32.357 -0.026 1 1 22 . 14 1 1 A 9 9 SER H H 9 8.061 8.308 -0.247 1 1 23 . 14 1 1 A 9 9 SER HA H 9 4.374 4.434 -0.060 1 1 26 . 14 1 1 A 9 9 SER C C 9 173.090 173.628 -0.538 1 1 27 . 14 1 1 A 9 9 SER CA C 9 58.754 58.537 0.217 1 1 28 . 14 1 1 A 9 9 SER CB C 9 63.667 64.066 -0.399 1 1 29 . 14 1 1 A 9 9 SER N N 9 115.137 117.248 -2.111 1 1 30 . 14 1 1 A 10 10 THR H H 10 8.359 8.499 -0.140 1 1 31 . 14 1 1 A 10 10 THR HA H 10 4.027 4.880 -0.853 1 1 36 . 14 1 1 A 10 10 THR C C 10 175.380 173.126 2.254 1 1 37 . 14 1 1 A 10 10 THR CA C 10 62.781 60.219 2.562 1 1 38 . 14 1 1 A 10 10 THR CB C 10 69.617 71.937 -2.320 1 1 40 . 14 1 1 A 10 10 THR N N 10 115.079 117.740 -2.661 1 1 41 . 14 1 1 A 11 11 VAL H H 11 9.280 8.572 0.708 1 1 42 . 14 1 1 A 11 11 VAL HA H 11 4.097 4.124 -0.027 1 1 50 . 14 1 1 A 11 11 VAL C C 11 175.706 176.330 -0.624 1 1 51 . 14 1 1 A 11 11 VAL CA C 11 61.518 61.206 0.312 1 1 52 . 14 1 1 A 11 11 VAL CB C 11 33.174 32.144 1.030 1 1 55 . 14 1 1 A 11 11 VAL N N 11 131.182 126.592 4.590 1 1 56 . 14 1 1 A 12 12 PRO HA H 12 4.415 4.473 -0.058 1 1 63 . 14 1 1 A 12 12 PRO C C 12 175.612 176.343 -0.731 1 1 64 . 14 1 1 A 12 12 PRO CA C 12 64.850 64.882 -0.032 1 1 65 . 14 1 1 A 12 12 PRO CB C 12 32.578 32.224 0.354 1 1 68 . 14 1 1 A 13 13 ILE H H 13 7.251 7.581 -0.330 1 1 69 . 14 1 1 A 13 13 ILE HA H 13 4.439 4.643 -0.204 1 1 79 . 14 1 1 A 13 13 ILE C C 13 170.969 173.370 -2.401 1 1 80 . 14 1 1 A 13 13 ILE CA C 13 59.973 59.232 0.741 1 1 81 . 14 1 1 A 13 13 ILE CB C 13 40.776 41.881 -1.105 1 1 85 . 14 1 1 A 13 13 ILE N N 13 115.827 116.075 -0.248 1 1 86 . 14 1 1 A 14 14 MET H H 14 6.827 8.647 -1.820 1 1 87 . 14 1 1 A 14 14 MET HA H 14 4.961 5.355 -0.394 1 1 95 . 14 1 1 A 14 14 MET C C 14 173.380 175.097 -1.717 1 1 96 . 14 1 1 A 14 14 MET CA C 14 55.214 54.033 1.181 1 1 97 . 14 1 1 A 14 14 MET CB C 14 38.223 35.269 2.954 1 1 100 . 14 1 1 A 14 14 MET N N 14 116.754 125.525 -8.771 1 1 101 . 14 1 1 A 15 15 HIS H H 15 9.417 9.358 0.059 1 1 102 . 14 1 1 A 15 15 HIS HA H 15 4.958 5.251 -0.293 1 1 107 . 14 1 1 A 15 15 HIS C C 15 173.901 173.992 -0.091 1 1 108 . 14 1 1 A 15 15 HIS CA C 15 55.190 54.477 0.713 1 1 109 . 14 1 1 A 15 15 HIS CB C 15 33.361 33.028 0.333 1 1 112 . 14 1 1 A 15 15 HIS N N 15 118.539 118.813 -0.274 1 1 113 . 14 1 1 A 16 16 GLN H H 16 9.164 8.942 0.222 1 1 114 . 14 1 1 A 16 16 GLN HA H 16 4.385 4.407 -0.022 1 1 121 . 14 1 1 A 16 16 GLN C C 16 175.463 175.423 0.040 1 1 122 . 14 1 1 A 16 16 GLN CA C 16 55.992 56.251 -0.259 1 1 123 . 14 1 1 A 16 16 GLN CB C 16 29.159 30.329 -1.170 1 1 125 . 14 1 1 A 16 16 GLN N N 16 123.267 124.962 -1.695 1 1 127 . 14 1 1 A 17 17 VAL H H 17 8.983 8.963 0.020 1 1 128 . 14 1 1 A 17 17 VAL HA H 17 3.910 4.141 -0.231 1 1 136 . 14 1 1 A 17 17 VAL C C 17 176.328 175.782 0.546 1 1 137 . 14 1 1 A 17 17 VAL CA C 17 63.807 63.336 0.471 1 1 138 . 14 1 1 A 17 17 VAL CB C 17 33.088 33.175 -0.087 1 1 141 . 14 1 1 A 17 17 VAL N N 17 128.880 126.924 1.956 1 1 142 . 14 1 1 A 18 18 SER H H 18 7.740 7.211 0.529 1 1 143 . 14 1 1 A 18 18 SER HA H 18 4.589 4.846 -0.257 1 1 146 . 14 1 1 A 18 18 SER C C 18 171.965 172.304 -0.339 1 1 147 . 14 1 1 A 18 18 SER CA C 18 57.441 57.806 -0.365 1 1 148 . 14 1 1 A 18 18 SER CB C 18 64.058 67.061 -3.003 1 1 149 . 14 1 1 A 18 18 SER N N 18 110.447 113.609 -3.162 1 1 150 . 14 1 1 A 19 19 ALA H H 19 8.114 8.538 -0.424 1 1 151 . 14 1 1 A 19 19 ALA HA H 19 5.086 4.835 0.251 1 1 155 . 14 1 1 A 19 19 ALA C C 19 176.404 175.330 1.074 1 1 156 . 14 1 1 A 19 19 ALA CA C 19 52.453 51.635 0.818 1 1 157 . 14 1 1 A 19 19 ALA CB C 19 23.038 23.176 -0.138 1 1 158 . 14 1 1 A 19 19 ALA N N 19 121.116 122.967 -1.851 1 1 159 . 14 1 1 A 20 20 THR H H 20 8.710 8.805 -0.095 1 1 160 . 14 1 1 A 20 20 THR HA H 20 4.787 4.948 -0.161 1 1 165 . 14 1 1 A 20 20 THR C C 20 175.596 174.138 1.458 1 1 166 . 14 1 1 A 20 20 THR CA C 20 60.341 59.813 0.528 1 1 167 . 14 1 1 A 20 20 THR CB C 20 71.307 71.393 -0.086 1 1 169 . 14 1 1 A 20 20 THR N N 20 110.762 111.608 -0.846 1 1 170 . 14 1 1 A 21 21 MET H H 21 8.686 8.702 -0.016 1 1 171 . 14 1 1 A 21 21 MET HA H 21 4.618 4.425 0.193 1 1 179 . 14 1 1 A 21 21 MET C C 21 174.754 176.485 -1.731 1 1 180 . 14 1 1 A 21 21 MET CA C 21 59.272 57.040 2.232 1 1 181 . 14 1 1 A 21 21 MET CB C 21 34.488 32.251 2.237 1 1 184 . 14 1 1 A 21 21 MET N N 21 118.478 123.851 -5.373 1 1 185 . 14 1 1 A 22 22 ARG H H 22 7.296 7.698 -0.402 1 1 186 . 14 1 1 A 22 22 ARG HA H 22 4.453 4.591 -0.138 1 1 193 . 14 1 1 A 22 22 ARG C C 22 174.722 175.386 -0.664 1 1 194 . 14 1 1 A 22 22 ARG CA C 22 54.218 55.469 -1.251 1 1 195 . 14 1 1 A 22 22 ARG CB C 22 32.509 32.341 0.168 1 1 198 . 14 1 1 A 22 22 ARG N N 22 108.176 117.765 -9.589 1 1 199 . 14 1 1 A 23 23 SER H H 23 7.387 7.816 -0.429 1 1 200 . 14 1 1 A 23 23 SER HA H 23 5.353 4.877 0.476 1 1 203 . 14 1 1 A 23 23 SER C C 23 171.910 172.248 -0.338 1 1 204 . 14 1 1 A 23 23 SER CA C 23 57.230 57.648 -0.418 1 1 205 . 14 1 1 A 23 23 SER CB C 23 68.011 67.567 0.444 1 1 206 . 14 1 1 A 23 23 SER N N 23 114.861 114.200 0.661 1 1 207 . 14 1 1 A 24 24 ILE H H 24 8.061 8.251 -0.190 1 1 208 . 14 1 1 A 24 24 ILE HA H 24 4.470 4.746 -0.276 1 1 218 . 14 1 1 A 24 24 ILE C C 24 174.028 174.261 -0.233 1 1 219 . 14 1 1 A 24 24 ILE CA C 24 61.402 60.239 1.163 1 1 220 . 14 1 1 A 24 24 ILE CB C 24 43.249 41.228 2.021 1 1 224 . 14 1 1 A 24 24 ILE N N 24 116.152 121.031 -4.879 1 1 225 . 14 1 1 A 25 25 THR H H 25 8.584 9.073 -0.489 1 1 226 . 14 1 1 A 25 25 THR HA H 25 5.107 4.868 0.239 1 1 231 . 14 1 1 A 25 25 THR C C 25 173.463 173.377 0.086 1 1 232 . 14 1 1 A 25 25 THR CA C 25 62.127 61.795 0.332 1 1 233 . 14 1 1 A 25 25 THR CB C 25 68.954 70.259 -1.305 1 1 235 . 14 1 1 A 25 25 THR N N 25 122.080 123.581 -1.501 1 1 236 . 14 1 1 A 26 26 LEU H H 26 9.093 8.696 0.397 1 1 237 . 14 1 1 A 26 26 LEU HA H 26 5.427 5.084 0.343 1 1 247 . 14 1 1 A 26 26 LEU C C 26 175.180 175.417 -0.237 1 1 248 . 14 1 1 A 26 26 LEU CA C 26 53.181 53.329 -0.148 1 1 249 . 14 1 1 A 26 26 LEU CB C 26 46.902 46.762 0.140 1 1 253 . 14 1 1 A 26 26 LEU N N 26 128.231 126.504 1.727 1 1 254 . 14 1 1 A 27 27 SER H H 27 9.260 8.853 0.407 1 1 255 . 14 1 1 A 27 27 SER HA H 27 4.757 4.780 -0.023 1 1 258 . 14 1 1 A 27 27 SER C C 27 172.413 172.378 0.035 1 1 259 . 14 1 1 A 27 27 SER CA C 27 56.912 57.003 -0.091 1 1 260 . 14 1 1 A 27 27 SER CB C 27 66.220 64.728 1.492 1 1 261 . 14 1 1 A 27 27 SER N N 27 115.325 114.327 0.998 1 1 262 . 14 1 1 A 28 28 TRP H H 28 7.430 7.989 -0.559 1 1 263 . 14 1 1 A 28 28 TRP HA H 28 5.212 5.266 -0.054 1 1 272 . 14 1 1 A 28 28 TRP C C 28 171.555 173.074 -1.519 1 1 273 . 14 1 1 A 28 28 TRP CA C 28 55.143 55.031 0.112 1 1 274 . 14 1 1 A 28 28 TRP CB C 28 28.918 30.364 -1.446 1 1 280 . 14 1 1 A 28 28 TRP N N 28 119.703 120.676 -0.973 1 1 282 . 14 1 1 A 29 29 PRO HA H 29 4.543 4.537 0.006 1 1 289 . 14 1 1 A 29 29 PRO C C 29 175.962 176.061 -0.099 1 1 290 . 14 1 1 A 29 29 PRO CA C 29 61.702 62.641 -0.939 1 1 291 . 14 1 1 A 29 29 PRO CB C 29 32.041 32.642 -0.601 1 1 294 . 14 1 1 A 30 30 GLN H H 30 8.248 8.525 -0.277 1 1 295 . 14 1 1 A 30 30 GLN HA H 30 4.654 4.645 0.009 1 1 302 . 14 1 1 A 30 30 GLN C C 30 174.856 175.027 -0.171 1 1 303 . 14 1 1 A 30 30 GLN CA C 30 54.524 53.800 0.724 1 1 304 . 14 1 1 A 30 30 GLN CB C 30 28.623 29.974 -1.351 1 1 306 . 14 1 1 A 30 30 GLN N N 30 117.321 121.086 -3.765 1 1 308 . 14 1 1 A 31 31 PRO HA H 31 4.116 4.827 -0.711 1 1 315 . 14 1 1 A 31 31 PRO C C 31 175.787 176.897 -1.110 1 1 316 . 14 1 1 A 31 31 PRO CA C 31 63.364 62.996 0.368 1 1 317 . 14 1 1 A 31 31 PRO CB C 31 32.503 33.406 -0.903 1 1 320 . 14 1 1 A 32 32 GLU H H 32 8.367 9.059 -0.692 1 1 321 . 14 1 1 A 32 32 GLU HA H 32 4.004 4.557 -0.553 1 1 326 . 14 1 1 A 32 32 GLU C C 32 176.748 176.633 0.115 1 1 327 . 14 1 1 A 32 32 GLU CA C 32 58.644 56.683 1.961 1 1 328 . 14 1 1 A 32 32 GLU CB C 32 30.271 31.179 -0.908 1 1 330 . 14 1 1 A 32 32 GLU N N 32 122.959 119.415 3.544 1 1 331 . 14 1 1 A 33 33 GLN H H 33 8.220 7.731 0.489 1 1 332 . 14 1 1 A 33 33 GLN HA H 33 4.820 4.874 -0.054 1 1 339 . 14 1 1 A 33 33 GLN C C 33 172.938 174.327 -1.389 1 1 340 . 14 1 1 A 33 33 GLN CA C 33 52.544 53.504 -0.960 1 1 341 . 14 1 1 A 33 33 GLN CB C 33 29.077 29.260 -0.183 1 1 343 . 14 1 1 A 33 33 GLN N N 33 116.413 118.842 -2.429 1 1 345 . 14 1 1 A 34 34 PRO HA H 34 4.039 4.425 -0.386 1 1 352 . 14 1 1 A 34 34 PRO C C 34 175.293 176.553 -1.260 1 1 353 . 14 1 1 A 34 34 PRO CA C 34 64.248 63.641 0.607 1 1 354 . 14 1 1 A 34 34 PRO CB C 34 31.974 32.138 -0.164 1 1 357 . 14 1 1 A 35 35 ASN H H 35 8.478 8.103 0.375 1 1 358 . 14 1 1 A 35 35 ASN HA H 35 4.270 4.411 -0.141 1 1 363 . 14 1 1 A 35 35 ASN C C 35 173.982 174.448 -0.466 1 1 364 . 14 1 1 A 35 35 ASN CA C 35 53.655 54.624 -0.969 1 1 365 . 14 1 1 A 35 35 ASN CB C 35 37.151 37.141 0.010 1 1 366 . 14 1 1 A 35 35 ASN N N 35 111.907 115.237 -3.330 1 1 368 . 14 1 1 A 36 36 GLY H H 36 7.537 7.948 -0.411 1 1 369 . 14 1 1 A 36 36 GLY HA2 H 36 4.247 3.995 0.252 1 1 370 . 14 1 1 A 36 36 GLY HA3 H 36 3.749 4.003 -0.254 1 1 371 . 14 1 1 A 36 36 GLY C C 36 172.062 172.675 -0.613 1 1 372 . 14 1 1 A 36 36 GLY CA C 36 44.147 44.649 -0.502 1 1 373 . 14 1 1 A 36 36 GLY N N 36 105.149 106.702 -1.553 1 1 374 . 14 1 1 A 37 37 ILE H H 37 8.107 8.563 -0.456 1 1 375 . 14 1 1 A 37 37 ILE HA H 37 4.017 3.939 0.078 1 1 385 . 14 1 1 A 37 37 ILE C C 37 176.534 175.462 1.072 1 1 386 . 14 1 1 A 37 37 ILE CA C 37 60.331 62.342 -2.011 1 1 387 . 14 1 1 A 37 37 ILE CB C 37 38.929 37.846 1.083 1 1 391 . 14 1 1 A 37 37 ILE N N 37 120.104 121.747 -1.643 1 1 392 . 14 1 1 A 38 38 ILE H H 38 8.678 8.828 -0.150 1 1 393 . 14 1 1 A 38 38 ILE HA H 38 3.695 4.279 -0.584 1 1 403 . 14 1 1 A 38 38 ILE C C 38 176.027 175.358 0.669 1 1 404 . 14 1 1 A 38 38 ILE CA C 38 61.811 60.559 1.252 1 1 405 . 14 1 1 A 38 38 ILE CB C 38 37.028 37.312 -0.284 1 1 409 . 14 1 1 A 38 38 ILE N N 38 127.591 126.657 0.934 1 1 410 . 14 1 1 A 39 39 LEU H H 39 9.054 8.445 0.609 1 1 411 . 14 1 1 A 39 39 LEU HA H 39 4.188 3.961 0.227 1 1 421 . 14 1 1 A 39 39 LEU C C 39 176.826 176.564 0.262 1 1 422 . 14 1 1 A 39 39 LEU CA C 39 56.416 57.432 -1.016 1 1 423 . 14 1 1 A 39 39 LEU CB C 39 42.664 42.179 0.485 1 1 427 . 14 1 1 A 39 39 LEU N N 39 130.577 129.599 0.978 1 1 428 . 14 1 1 A 40 40 ASP H H 40 7.502 7.468 0.034 1 1 429 . 14 1 1 A 40 40 ASP HA H 40 4.392 4.767 -0.375 1 1 432 . 14 1 1 A 40 40 ASP C C 40 171.781 172.379 -0.598 1 1 433 . 14 1 1 A 40 40 ASP CA C 40 52.884 52.851 0.033 1 1 434 . 14 1 1 A 40 40 ASP CB C 40 41.985 42.127 -0.142 1 1 435 . 14 1 1 A 40 40 ASP N N 40 112.731 112.922 -0.191 1 1 436 . 14 1 1 A 41 41 TYR H H 41 8.974 8.586 0.388 1 1 437 . 14 1 1 A 41 41 TYR HA H 41 5.379 5.325 0.054 1 1 444 . 14 1 1 A 41 41 TYR C C 41 175.555 174.657 0.898 1 1 445 . 14 1 1 A 41 41 TYR CA C 41 56.574 56.697 -0.123 1 1 446 . 14 1 1 A 41 41 TYR CB C 41 42.213 41.728 0.485 1 1 449 . 14 1 1 A 41 41 TYR N N 41 111.324 116.558 -5.234 1 1 450 . 14 1 1 A 42 42 GLU H H 42 9.184 8.705 0.479 1 1 451 . 14 1 1 A 42 42 GLU HA H 42 5.066 4.969 0.097 1 1 456 . 14 1 1 A 42 42 GLU C C 42 174.368 175.152 -0.784 1 1 457 . 14 1 1 A 42 42 GLU CA C 42 55.126 55.559 -0.433 1 1 458 . 14 1 1 A 42 42 GLU CB C 42 33.471 31.690 1.781 1 1 460 . 14 1 1 A 42 42 GLU N N 42 120.875 124.291 -3.416 1 1 461 . 14 1 1 A 43 43 ILE H H 43 9.355 9.226 0.129 1 1 462 . 14 1 1 A 43 43 ILE HA H 43 4.853 5.167 -0.314 1 1 472 . 14 1 1 A 43 43 ILE C C 43 174.430 174.407 0.023 1 1 473 . 14 1 1 A 43 43 ILE CA C 43 60.323 60.424 -0.101 1 1 474 . 14 1 1 A 43 43 ILE CB C 43 40.297 40.811 -0.514 1 1 478 . 14 1 1 A 43 43 ILE N N 43 126.045 126.767 -0.722 1 1 479 . 14 1 1 A 44 44 ARG H H 44 9.097 8.768 0.329 1 1 480 . 14 1 1 A 44 44 ARG HA H 44 5.545 5.263 0.282 1 1 487 . 14 1 1 A 44 44 ARG C C 44 175.523 174.659 0.864 1 1 488 . 14 1 1 A 44 44 ARG CA C 44 54.386 54.379 0.007 1 1 489 . 14 1 1 A 44 44 ARG CB C 44 34.638 32.621 2.017 1 1 492 . 14 1 1 A 44 44 ARG N N 44 127.831 129.491 -1.660 1 1 493 . 14 1 1 A 45 45 TYR H H 45 8.893 8.398 0.495 1 1 494 . 14 1 1 A 45 45 TYR HA H 45 6.272 5.806 0.466 1 1 501 . 14 1 1 A 45 45 TYR C C 45 173.560 173.841 -0.281 1 1 502 . 14 1 1 A 45 45 TYR CA C 45 54.767 55.465 -0.698 1 1 503 . 14 1 1 A 45 45 TYR CB C 45 43.168 41.635 1.533 1 1 508 . 14 1 1 A 45 45 TYR N N 45 123.683 123.815 -0.132 1 1 509 . 14 1 1 A 46 46 TYR H H 46 8.479 8.775 -0.296 1 1 510 . 14 1 1 A 46 46 TYR HA H 46 5.048 5.173 -0.125 1 1 517 . 14 1 1 A 46 46 TYR C C 46 173.870 174.603 -0.733 1 1 518 . 14 1 1 A 46 46 TYR CA C 46 55.485 56.107 -0.622 1 1 519 . 14 1 1 A 46 46 TYR CB C 46 39.975 40.969 -0.994 1 1 524 . 14 1 1 A 46 46 TYR N N 46 114.778 118.415 -3.637 1 1 525 . 14 1 1 A 47 47 GLU H H 47 9.111 8.529 0.582 1 1 526 . 14 1 1 A 47 47 GLU HA H 47 3.819 3.898 -0.079 1 1 531 . 14 1 1 A 47 47 GLU C C 47 177.764 178.496 -0.732 1 1 532 . 14 1 1 A 47 47 GLU CA C 47 57.123 57.201 -0.078 1 1 533 . 14 1 1 A 47 47 GLU CB C 47 29.773 29.277 0.496 1 1 535 . 14 1 1 A 47 47 GLU N N 47 122.069 122.268 -0.199 1 1 536 . 14 1 1 A 48 48 LYS H H 48 8.246 8.229 0.017 1 1 537 . 14 1 1 A 48 48 LYS HA H 48 3.722 3.971 -0.249 1 1 546 . 14 1 1 A 48 48 LYS C C 48 176.588 178.217 -1.629 1 1 547 . 14 1 1 A 48 48 LYS CA C 48 59.774 58.926 0.848 1 1 548 . 14 1 1 A 48 48 LYS CB C 48 33.032 31.799 1.233 1 1 552 . 14 1 1 A 48 48 LYS N N 48 122.857 124.806 -1.949 1 1 553 . 14 1 1 A 49 49 GLU H H 49 8.192 7.699 0.493 1 1 554 . 14 1 1 A 49 49 GLU HA H 49 4.216 4.265 -0.049 1 1 559 . 14 1 1 A 49 49 GLU C C 49 176.987 177.722 -0.735 1 1 560 . 14 1 1 A 49 49 GLU CA C 49 57.447 58.832 -1.385 1 1 561 . 14 1 1 A 49 49 GLU CB C 49 28.987 29.997 -1.010 1 1 563 . 14 1 1 A 49 49 GLU N N 49 114.305 118.236 -3.931 1 1 564 . 14 1 1 A 50 50 HIS H H 50 8.329 7.844 0.485 1 1 565 . 14 1 1 A 50 50 HIS HA H 50 4.928 4.607 0.321 1 1 570 . 14 1 1 A 50 50 HIS C C 50 173.255 175.411 -2.156 1 1 571 . 14 1 1 A 50 50 HIS CA C 50 54.372 56.822 -2.450 1 1 572 . 14 1 1 A 50 50 HIS CB C 50 31.082 30.491 0.591 1 1 575 . 14 1 1 A 50 50 HIS N N 50 120.021 118.876 1.145 1 1 576 . 14 1 1 A 51 51 ASN H H 51 7.687 8.910 -1.223 1 1 577 . 14 1 1 A 51 51 ASN HA H 51 4.259 4.802 -0.543 1 1 582 . 14 1 1 A 51 51 ASN C C 51 174.779 175.596 -0.817 1 1 583 . 14 1 1 A 51 51 ASN CA C 51 52.561 51.467 1.094 1 1 584 . 14 1 1 A 51 51 ASN CB C 51 39.474 41.221 -1.747 1 1 585 . 14 1 1 A 51 51 ASN N N 51 114.158 118.712 -4.554 1 1 587 . 14 1 1 A 52 52 GLU H H 52 8.551 8.465 0.086 1 1 588 . 14 1 1 A 52 52 GLU HA H 52 2.797 3.662 -0.865 1 1 593 . 14 1 1 A 52 52 GLU C C 52 177.117 178.697 -1.580 1 1 594 . 14 1 1 A 52 52 GLU CA C 52 58.155 58.873 -0.718 1 1 595 . 14 1 1 A 52 52 GLU CB C 52 28.912 28.805 0.107 1 1 597 . 14 1 1 A 52 52 GLU N N 52 117.019 121.090 -4.071 1 1 598 . 14 1 1 A 53 53 PHE H H 53 7.855 7.676 0.179 1 1 599 . 14 1 1 A 53 53 PHE HA H 53 4.371 4.311 0.060 1 1 607 . 14 1 1 A 53 53 PHE C C 53 175.783 176.861 -1.078 1 1 608 . 14 1 1 A 53 53 PHE CA C 53 58.785 60.278 -1.493 1 1 609 . 14 1 1 A 53 53 PHE CB C 53 37.747 38.149 -0.402 1 1 615 . 14 1 1 A 53 53 PHE N N 53 119.462 118.897 0.565 1 1 616 . 14 1 1 A 54 54 ASN H H 54 7.744 7.695 0.049 1 1 617 . 14 1 1 A 54 54 ASN HA H 54 4.948 4.899 0.049 1 1 622 . 14 1 1 A 54 54 ASN C C 54 173.922 173.910 0.012 1 1 623 . 14 1 1 A 54 54 ASN CA C 54 52.102 51.803 0.299 1 1 624 . 14 1 1 A 54 54 ASN CB C 54 38.637 37.907 0.730 1 1 625 . 14 1 1 A 54 54 ASN N N 54 120.451 116.014 4.437 1 1 627 . 14 1 1 A 55 55 SER H H 55 7.469 7.839 -0.370 1 1 628 . 14 1 1 A 55 55 SER HA H 55 4.710 5.373 -0.663 1 1 631 . 14 1 1 A 55 55 SER C C 55 173.922 173.172 0.750 1 1 632 . 14 1 1 A 55 55 SER CA C 55 57.883 55.732 2.151 1 1 633 . 14 1 1 A 55 55 SER CB C 55 66.064 66.108 -0.044 1 1 634 . 14 1 1 A 55 55 SER N N 55 113.429 114.194 -0.765 1 1 635 . 14 1 1 A 56 56 SER H H 56 8.458 8.142 0.316 1 1 636 . 14 1 1 A 56 56 SER HA H 56 4.632 5.298 -0.666 1 1 639 . 14 1 1 A 56 56 SER C C 56 171.119 172.944 -1.825 1 1 640 . 14 1 1 A 56 56 SER CA C 56 57.866 56.759 1.107 1 1 641 . 14 1 1 A 56 56 SER CB C 56 65.164 65.945 -0.781 1 1 642 . 14 1 1 A 56 56 SER N N 56 116.653 117.271 -0.618 1 1 643 . 14 1 1 A 57 57 MET H H 57 8.355 8.745 -0.390 1 1 644 . 14 1 1 A 57 57 MET HA H 57 5.776 5.438 0.338 1 1 652 . 14 1 1 A 57 57 MET C C 57 175.771 174.896 0.875 1 1 653 . 14 1 1 A 57 57 MET CA C 57 53.913 54.307 -0.394 1 1 654 . 14 1 1 A 57 57 MET CB C 57 36.115 36.948 -0.833 1 1 657 . 14 1 1 A 57 57 MET N N 57 119.463 122.405 -2.942 1 1 658 . 14 1 1 A 58 58 ALA H H 58 9.547 9.255 0.292 1 1 659 . 14 1 1 A 58 58 ALA HA H 58 4.890 5.286 -0.396 1 1 663 . 14 1 1 A 58 58 ALA C C 58 175.328 175.926 -0.598 1 1 664 . 14 1 1 A 58 58 ALA CA C 58 50.829 50.947 -0.118 1 1 665 . 14 1 1 A 58 58 ALA CB C 58 22.649 22.584 0.065 1 1 666 . 14 1 1 A 58 58 ALA N N 58 127.410 124.892 2.518 1 1 667 . 14 1 1 A 59 59 ARG H H 59 8.776 8.821 -0.045 1 1 668 . 14 1 1 A 59 59 ARG HA H 59 5.567 5.254 0.313 1 1 675 . 14 1 1 A 59 59 ARG C C 59 176.336 175.244 1.092 1 1 676 . 14 1 1 A 59 59 ARG CA C 59 54.843 55.735 -0.892 1 1 677 . 14 1 1 A 59 59 ARG CB C 59 33.691 32.300 1.391 1 1 680 . 14 1 1 A 59 59 ARG N N 59 119.945 123.748 -3.803 1 1 681 . 14 1 1 A 60 60 SER H H 60 8.919 8.793 0.126 1 1 682 . 14 1 1 A 60 60 SER HA H 60 5.011 5.196 -0.185 1 1 685 . 14 1 1 A 60 60 SER C C 60 174.614 174.485 0.129 1 1 686 . 14 1 1 A 60 60 SER CA C 60 56.752 56.636 0.116 1 1 687 . 14 1 1 A 60 60 SER CB C 60 66.198 65.521 0.677 1 1 688 . 14 1 1 A 60 60 SER N N 60 115.274 115.922 -0.648 1 1 689 . 14 1 1 A 61 61 GLN H H 61 9.367 8.570 0.797 1 1 690 . 14 1 1 A 61 61 GLN HA H 61 4.556 4.379 0.177 1 1 697 . 14 1 1 A 61 61 GLN C C 61 175.391 175.524 -0.133 1 1 698 . 14 1 1 A 61 61 GLN CA C 61 57.664 57.450 0.214 1 1 699 . 14 1 1 A 61 61 GLN CB C 61 29.763 29.235 0.528 1 1 701 . 14 1 1 A 61 61 GLN N N 61 124.808 124.780 0.028 1 1 703 . 14 1 1 A 62 62 THR H H 62 8.075 7.604 0.471 1 1 704 . 14 1 1 A 62 62 THR HA H 62 4.918 4.839 0.079 1 1 709 . 14 1 1 A 62 62 THR C C 62 173.106 173.230 -0.124 1 1 710 . 14 1 1 A 62 62 THR CA C 62 59.369 59.376 -0.007 1 1 711 . 14 1 1 A 62 62 THR CB C 62 70.607 71.553 -0.946 1 1 713 . 14 1 1 A 62 62 THR N N 62 110.260 113.050 -2.790 1 1 714 . 14 1 1 A 63 63 ASN H H 63 8.575 8.493 0.082 1 1 715 . 14 1 1 A 63 63 ASN HA H 63 3.457 3.980 -0.523 1 1 720 . 14 1 1 A 63 63 ASN C C 63 172.343 173.623 -1.280 1 1 721 . 14 1 1 A 63 63 ASN CA C 63 53.270 52.845 0.425 1 1 722 . 14 1 1 A 63 63 ASN CB C 63 34.441 38.447 -4.006 1 1 723 . 14 1 1 A 63 63 ASN N N 63 119.090 121.149 -2.059 1 1 725 . 14 1 1 A 64 64 THR H H 64 6.850 7.239 -0.389 1 1 726 . 14 1 1 A 64 64 THR HA H 64 4.296 4.139 0.157 1 1 731 . 14 1 1 A 64 64 THR C C 64 172.238 172.146 0.092 1 1 732 . 14 1 1 A 64 64 THR CA C 64 60.501 60.068 0.433 1 1 733 . 14 1 1 A 64 64 THR CB C 64 71.252 71.029 0.223 1 1 735 . 14 1 1 A 64 64 THR N N 64 111.612 114.060 -2.448 1 1 736 . 14 1 1 A 65 65 ALA H H 65 8.619 8.375 0.244 1 1 737 . 14 1 1 A 65 65 ALA HA H 65 4.595 5.074 -0.479 1 1 741 . 14 1 1 A 65 65 ALA C C 65 174.046 175.090 -1.044 1 1 742 . 14 1 1 A 65 65 ALA CA C 65 52.102 51.160 0.942 1 1 743 . 14 1 1 A 65 65 ALA CB C 65 22.427 23.677 -1.250 1 1 744 . 14 1 1 A 65 65 ALA N N 65 124.370 130.225 -5.855 1 1 745 . 14 1 1 A 66 66 ARG H H 66 8.533 8.754 -0.221 1 1 746 . 14 1 1 A 66 66 ARG HA H 66 4.973 5.221 -0.248 1 1 753 . 14 1 1 A 66 66 ARG C C 66 175.240 174.402 0.838 1 1 754 . 14 1 1 A 66 66 ARG CA C 66 54.560 54.260 0.300 1 1 755 . 14 1 1 A 66 66 ARG CB C 66 32.088 33.753 -1.665 1 1 758 . 14 1 1 A 66 66 ARG N N 66 122.633 122.196 0.437 1 1 759 . 14 1 1 A 67 67 ILE H H 67 8.967 8.697 0.270 1 1 760 . 14 1 1 A 67 67 ILE HA H 67 4.013 4.277 -0.264 1 1 770 . 14 1 1 A 67 67 ILE C C 67 174.026 175.201 -1.175 1 1 771 . 14 1 1 A 67 67 ILE CA C 67 60.377 59.876 0.501 1 1 772 . 14 1 1 A 67 67 ILE CB C 67 38.044 37.784 0.260 1 1 776 . 14 1 1 A 67 67 ILE N N 67 128.560 127.905 0.655 1 1 777 . 14 1 1 A 68 68 ASP H H 68 8.117 8.496 -0.379 1 1 778 . 14 1 1 A 68 68 ASP HA H 68 5.060 5.145 -0.085 1 1 781 . 14 1 1 A 68 68 ASP C C 68 175.792 176.258 -0.466 1 1 782 . 14 1 1 A 68 68 ASP CA C 68 52.474 52.483 -0.009 1 1 783 . 14 1 1 A 68 68 ASP CB C 68 44.116 43.373 0.743 1 1 784 . 14 1 1 A 68 68 ASP N N 68 125.243 126.634 -1.391 1 1 785 . 14 1 1 A 69 69 GLY H H 69 8.568 8.324 0.244 1 1 786 . 14 1 1 A 69 69 GLY HA2 H 69 3.951 3.933 0.018 1 1 787 . 14 1 1 A 69 69 GLY HA3 H 69 3.830 3.939 -0.109 1 1 788 . 14 1 1 A 69 69 GLY C C 69 175.359 173.903 1.456 1 1 789 . 14 1 1 A 69 69 GLY CA C 69 46.356 46.501 -0.145 1 1 790 . 14 1 1 A 69 69 GLY N N 69 105.736 110.972 -5.236 1 1 791 . 14 1 1 A 70 70 LEU H H 70 7.982 7.509 0.473 1 1 792 . 14 1 1 A 70 70 LEU HA H 70 4.356 4.865 -0.509 1 1 802 . 14 1 1 A 70 70 LEU C C 70 175.151 175.496 -0.345 1 1 803 . 14 1 1 A 70 70 LEU CA C 70 53.110 53.054 0.056 1 1 804 . 14 1 1 A 70 70 LEU CB C 70 40.992 45.340 -4.348 1 1 808 . 14 1 1 A 70 70 LEU N N 70 118.817 119.675 -0.858 1 1 809 . 14 1 1 A 71 71 ARG H H 71 8.148 8.589 -0.441 1 1 810 . 14 1 1 A 71 71 ARG HA H 71 4.922 4.838 0.084 1 1 817 . 14 1 1 A 71 71 ARG C C 71 174.419 173.876 0.543 1 1 818 . 14 1 1 A 71 71 ARG CA C 71 53.534 52.888 0.646 1 1 819 . 14 1 1 A 71 71 ARG CB C 71 32.001 31.284 0.717 1 1 822 . 14 1 1 A 71 71 ARG N N 71 118.182 120.907 -2.725 1 1 823 . 14 1 1 A 72 72 PRO HA H 72 5.168 4.582 0.586 1 1 830 . 14 1 1 A 72 72 PRO C C 72 178.121 177.592 0.529 1 1 831 . 14 1 1 A 72 72 PRO CA C 72 63.416 63.648 -0.232 1 1 832 . 14 1 1 A 72 72 PRO CB C 72 32.908 31.466 1.442 1 1 835 . 14 1 1 A 73 73 GLY H H 73 7.705 8.825 -1.120 1 1 836 . 14 1 1 A 73 73 GLY HA2 H 73 3.856 3.988 -0.132 1 1 837 . 14 1 1 A 73 73 GLY HA3 H 73 3.508 3.992 -0.484 1 1 838 . 14 1 1 A 73 73 GLY C C 73 173.685 173.623 0.062 1 1 839 . 14 1 1 A 73 73 GLY CA C 73 46.731 46.208 0.523 1 1 840 . 14 1 1 A 73 73 GLY N N 73 112.669 111.798 0.871 1 1 841 . 14 1 1 A 74 74 MET H H 74 7.511 7.551 -0.040 1 1 842 . 14 1 1 A 74 74 MET HA H 74 4.742 4.884 -0.142 1 1 850 . 14 1 1 A 74 74 MET C C 74 173.525 174.281 -0.756 1 1 851 . 14 1 1 A 74 74 MET CA C 74 53.216 54.232 -1.016 1 1 852 . 14 1 1 A 74 74 MET CB C 74 33.610 35.489 -1.879 1 1 855 . 14 1 1 A 74 74 MET N N 74 119.820 119.289 0.531 1 1 856 . 14 1 1 A 75 75 VAL H H 75 7.651 8.332 -0.681 1 1 857 . 14 1 1 A 75 75 VAL HA H 75 4.361 4.725 -0.364 1 1 865 . 14 1 1 A 75 75 VAL C C 75 174.677 174.672 0.005 1 1 866 . 14 1 1 A 75 75 VAL CA C 75 61.581 61.405 0.176 1 1 867 . 14 1 1 A 75 75 VAL CB C 75 32.345 33.051 -0.706 1 1 870 . 14 1 1 A 75 75 VAL N N 75 121.287 124.044 -2.757 1 1 871 . 14 1 1 A 76 76 TYR H H 76 9.405 8.824 0.581 1 1 872 . 14 1 1 A 76 76 TYR HA H 76 4.743 5.014 -0.271 1 1 879 . 14 1 1 A 76 76 TYR C C 76 174.740 175.269 -0.529 1 1 880 . 14 1 1 A 76 76 TYR CA C 76 57.424 56.486 0.938 1 1 881 . 14 1 1 A 76 76 TYR CB C 76 41.151 40.674 0.477 1 1 886 . 14 1 1 A 76 76 TYR N N 76 126.231 125.417 0.814 1 1 887 . 14 1 1 A 77 77 VAL H H 77 8.867 8.353 0.514 1 1 888 . 14 1 1 A 77 77 VAL HA H 77 4.318 4.439 -0.121 1 1 896 . 14 1 1 A 77 77 VAL C C 77 175.773 175.397 0.376 1 1 897 . 14 1 1 A 77 77 VAL CA C 77 61.473 62.915 -1.442 1 1 898 . 14 1 1 A 77 77 VAL CB C 77 31.218 30.555 0.663 1 1 901 . 14 1 1 A 77 77 VAL N N 77 123.699 125.077 -1.378 1 1 902 . 14 1 1 A 78 78 VAL H H 78 8.683 8.663 0.020 1 1 903 . 14 1 1 A 78 78 VAL HA H 78 4.995 5.130 -0.135 1 1 911 . 14 1 1 A 78 78 VAL C C 78 175.275 175.188 0.087 1 1 912 . 14 1 1 A 78 78 VAL CA C 78 60.942 61.182 -0.240 1 1 913 . 14 1 1 A 78 78 VAL CB C 78 34.790 33.299 1.491 1 1 916 . 14 1 1 A 78 78 VAL N N 78 124.155 128.600 -4.445 1 1 917 . 14 1 1 A 79 79 GLN H H 79 8.613 8.550 0.063 1 1 918 . 14 1 1 A 79 79 GLN HA H 79 4.511 5.003 -0.492 1 1 925 . 14 1 1 A 79 79 GLN C C 79 173.361 174.327 -0.966 1 1 926 . 14 1 1 A 79 79 GLN CA C 79 54.666 53.995 0.671 1 1 927 . 14 1 1 A 79 79 GLN CB C 79 36.751 33.124 3.627 1 1 929 . 14 1 1 A 79 79 GLN N N 79 121.693 125.366 -3.673 1 1 931 . 14 1 1 A 80 80 VAL H H 80 9.019 8.846 0.173 1 1 932 . 14 1 1 A 80 80 VAL HA H 80 5.801 5.127 0.674 1 1 940 . 14 1 1 A 80 80 VAL C C 80 174.526 173.695 0.831 1 1 941 . 14 1 1 A 80 80 VAL CA C 80 58.750 59.421 -0.671 1 1 942 . 14 1 1 A 80 80 VAL CB C 80 35.479 34.980 0.499 1 1 945 . 14 1 1 A 80 80 VAL N N 80 118.559 119.972 -1.413 1 1 946 . 14 1 1 A 81 81 ARG H H 81 9.199 8.520 0.679 1 1 947 . 14 1 1 A 81 81 ARG HA H 81 4.951 4.852 0.099 1 1 955 . 14 1 1 A 81 81 ARG C C 81 172.660 174.084 -1.424 1 1 956 . 14 1 1 A 81 81 ARG CA C 81 54.295 53.597 0.698 1 1 957 . 14 1 1 A 81 81 ARG CB C 81 33.750 33.199 0.551 1 1 960 . 14 1 1 A 81 81 ARG N N 81 125.225 125.828 -0.603 1 1 962 . 14 1 1 A 82 82 ALA H H 82 8.762 8.671 0.091 1 1 963 . 14 1 1 A 82 82 ALA HA H 82 4.820 5.326 -0.506 1 1 967 . 14 1 1 A 82 82 ALA C C 82 174.783 175.544 -0.761 1 1 968 . 14 1 1 A 82 82 ALA CA C 82 50.741 50.259 0.482 1 1 969 . 14 1 1 A 82 82 ALA CB C 82 22.383 20.807 1.576 1 1 970 . 14 1 1 A 82 82 ALA N N 82 124.292 122.683 1.609 1 1 971 . 14 1 1 A 83 83 ARG H H 83 8.336 8.480 -0.144 1 1 972 . 14 1 1 A 83 83 ARG HA H 83 4.737 5.119 -0.382 1 1 980 . 14 1 1 A 83 83 ARG C C 83 175.290 174.679 0.611 1 1 981 . 14 1 1 A 83 83 ARG CA C 83 55.727 54.323 1.404 1 1 982 . 14 1 1 A 83 83 ARG CB C 83 34.562 33.196 1.366 1 1 985 . 14 1 1 A 83 83 ARG N N 83 121.023 123.479 -2.456 1 1 987 . 14 1 1 A 84 84 THR H H 84 8.485 8.934 -0.449 1 1 988 . 14 1 1 A 84 84 THR HA H 84 4.875 4.940 -0.065 1 1 993 . 14 1 1 A 84 84 THR C C 84 176.218 175.462 0.756 1 1 994 . 14 1 1 A 84 84 THR CA C 84 59.475 59.194 0.281 1 1 995 . 14 1 1 A 84 84 THR CB C 84 72.440 72.131 0.309 1 1 997 . 14 1 1 A 84 84 THR N N 84 116.374 117.427 -1.053 1 1 998 . 14 1 1 A 85 85 VAL H H 85 9.283 8.948 0.335 1 1 999 . 14 1 1 A 85 85 VAL HA H 85 3.794 3.752 0.042 1 1 1007 . 14 1 1 A 85 85 VAL C C 85 175.930 177.538 -1.608 1 1 1008 . 14 1 1 A 85 85 VAL CA C 85 64.934 65.040 -0.106 1 1 1009 . 14 1 1 A 85 85 VAL CB C 85 31.621 31.353 0.268 1 1 1012 . 14 1 1 A 85 85 VAL N N 85 119.099 119.454 -0.355 1 1 1013 . 14 1 1 A 86 86 ALA H H 86 7.840 7.778 0.062 1 1 1014 . 14 1 1 A 86 86 ALA HA H 86 4.242 4.096 0.146 1 1 1018 . 14 1 1 A 86 86 ALA C C 86 177.467 177.601 -0.134 1 1 1019 . 14 1 1 A 86 86 ALA CA C 86 52.774 54.314 -1.540 1 1 1020 . 14 1 1 A 86 86 ALA CB C 86 19.733 19.922 -0.189 1 1 1021 . 14 1 1 A 86 86 ALA N N 86 121.263 123.809 -2.546 1 1 1022 . 14 1 1 A 87 87 GLY H H 87 7.365 7.187 0.178 1 1 1023 . 14 1 1 A 87 87 GLY HA2 H 87 4.402 3.940 0.462 1 1 1024 . 14 1 1 A 87 87 GLY HA3 H 87 3.588 4.038 -0.450 1 1 1025 . 14 1 1 A 87 87 GLY C C 87 171.960 171.145 0.815 1 1 1026 . 14 1 1 A 87 87 GLY CA C 87 44.170 45.931 -1.761 1 1 1027 . 14 1 1 A 87 87 GLY N N 87 105.736 102.088 3.648 1 1 1028 . 14 1 1 A 88 88 TYR H H 88 8.444 8.492 -0.048 1 1 1029 . 14 1 1 A 88 88 TYR HA H 88 5.063 4.871 0.192 1 1 1036 . 14 1 1 A 88 88 TYR C C 88 179.239 175.620 3.619 1 1 1037 . 14 1 1 A 88 88 TYR CA C 88 58.308 56.059 2.249 1 1 1038 . 14 1 1 A 88 88 TYR CB C 88 41.442 40.459 0.983 1 1 1043 . 14 1 1 A 88 88 TYR N N 88 116.996 120.601 -3.605 1 1 1044 . 14 1 1 A 89 89 GLY H H 89 8.676 8.614 0.062 1 1 1045 . 14 1 1 A 89 89 GLY HA2 H 89 4.324 4.187 0.137 1 1 1046 . 14 1 1 A 89 89 GLY HA3 H 89 3.973 4.213 -0.240 1 1 1047 . 14 1 1 A 89 89 GLY C C 89 173.844 172.956 0.888 1 1 1048 . 14 1 1 A 89 89 GLY CA C 89 43.916 44.159 -0.243 1 1 1049 . 14 1 1 A 89 89 GLY N N 89 107.850 110.936 -3.086 1 1 1050 . 14 1 1 A 90 90 LYS H H 90 8.711 8.336 0.375 1 1 1051 . 14 1 1 A 90 90 LYS HA H 90 4.166 4.212 -0.046 1 1 1060 . 14 1 1 A 90 90 LYS C C 90 177.819 176.595 1.224 1 1 1061 . 14 1 1 A 90 90 LYS CA C 90 56.162 56.361 -0.199 1 1 1062 . 14 1 1 A 90 90 LYS CB C 90 32.730 32.999 -0.269 1 1 1066 . 14 1 1 A 90 90 LYS N N 90 119.382 119.877 -0.495 1 1 1067 . 14 1 1 A 91 91 PHE H H 91 8.698 8.922 -0.224 1 1 1068 . 14 1 1 A 91 91 PHE HA H 91 4.241 4.934 -0.693 1 1 1076 . 14 1 1 A 91 91 PHE C C 91 176.805 175.731 1.074 1 1 1077 . 14 1 1 A 91 91 PHE CA C 91 61.027 57.798 3.229 1 1 1078 . 14 1 1 A 91 91 PHE CB C 91 39.995 40.789 -0.794 1 1 1084 . 14 1 1 A 91 91 PHE N N 91 120.691 121.168 -0.477 1 1 1085 . 14 1 1 A 92 92 SER H H 92 8.311 9.111 -0.800 1 1 1086 . 14 1 1 A 92 92 SER HA H 92 4.259 4.663 -0.404 1 1 1089 . 14 1 1 A 92 92 SER C C 92 173.499 174.853 -1.354 1 1 1090 . 14 1 1 A 92 92 SER CA C 92 58.146 57.507 0.639 1 1 1091 . 14 1 1 A 92 92 SER CB C 92 65.329 64.372 0.957 1 1 1092 . 14 1 1 A 92 92 SER N N 92 115.098 116.477 -1.379 1 1 1093 . 14 1 1 A 93 93 GLY H H 93 8.869 8.609 0.260 1 1 1094 . 14 1 1 A 93 93 GLY HA2 H 93 4.071 3.916 0.155 1 1 1095 . 14 1 1 A 93 93 GLY HA3 H 93 3.780 3.926 -0.146 1 1 1096 . 14 1 1 A 93 93 GLY C C 93 174.375 174.351 0.024 1 1 1097 . 14 1 1 A 93 93 GLY CA C 93 45.331 46.285 -0.954 1 1 1098 . 14 1 1 A 93 93 GLY N N 93 106.252 108.802 -2.550 1 1 1099 . 14 1 1 A 94 94 LYS H H 94 8.619 8.385 0.234 1 1 1100 . 14 1 1 A 94 94 LYS HA H 94 3.633 4.054 -0.421 1 1 1109 . 14 1 1 A 94 94 LYS C C 94 176.004 176.169 -0.165 1 1 1110 . 14 1 1 A 94 94 LYS CA C 94 59.068 57.562 1.506 1 1 1111 . 14 1 1 A 94 94 LYS CB C 94 33.072 32.732 0.340 1 1 1115 . 14 1 1 A 94 94 LYS N N 94 122.645 124.885 -2.240 1 1 1116 . 14 1 1 A 95 95 MET H H 95 7.547 8.718 -1.171 1 1 1117 . 14 1 1 A 95 95 MET HA H 95 4.520 5.083 -0.563 1 1 1125 . 14 1 1 A 95 95 MET C C 95 173.400 174.329 -0.929 1 1 1126 . 14 1 1 A 95 95 MET CA C 95 54.701 53.942 0.759 1 1 1127 . 14 1 1 A 95 95 MET CB C 95 37.784 35.669 2.115 1 1 1130 . 14 1 1 A 95 95 MET N N 95 122.392 122.610 -0.218 1 1 1131 . 14 1 1 A 96 96 CYS H H 96 7.888 8.621 -0.733 1 1 1132 . 14 1 1 A 96 96 CYS HA H 96 5.465 5.143 0.322 1 1 1135 . 14 1 1 A 96 96 CYS C C 96 173.757 172.944 0.813 1 1 1136 . 14 1 1 A 96 96 CYS CA C 96 57.353 57.370 -0.017 1 1 1137 . 14 1 1 A 96 96 CYS CB C 96 29.941 29.560 0.381 1 1 1138 . 14 1 1 A 96 96 CYS N N 96 117.124 121.114 -3.990 1 1 1139 . 14 1 1 A 97 97 PHE H H 97 9.133 9.120 0.013 1 1 1140 . 14 1 1 A 97 97 PHE HA H 97 4.879 5.181 -0.302 1 1 1148 . 14 1 1 A 97 97 PHE C C 97 173.309 175.429 -2.120 1 1 1149 . 14 1 1 A 97 97 PHE CA C 97 56.983 56.503 0.480 1 1 1150 . 14 1 1 A 97 97 PHE CB C 97 44.074 40.898 3.176 1 1 1156 . 14 1 1 A 97 97 PHE N N 97 121.239 124.195 -2.956 1 1 1157 . 14 1 1 A 98 98 GLN H H 98 8.884 8.913 -0.029 1 1 1158 . 14 1 1 A 98 98 GLN HA H 98 5.809 5.284 0.525 1 1 1165 . 14 1 1 A 98 98 GLN C C 98 176.454 175.548 0.906 1 1 1166 . 14 1 1 A 98 98 GLN CA C 98 54.125 54.827 -0.702 1 1 1167 . 14 1 1 A 98 98 GLN CB C 98 33.444 30.328 3.116 1 1 1169 . 14 1 1 A 98 98 GLN N N 98 120.699 121.902 -1.203 1 1 1171 . 14 1 1 A 99 99 THR H H 99 8.176 8.822 -0.646 1 1 1172 . 14 1 1 A 99 99 THR HA H 99 4.324 4.526 -0.202 1 1 1177 . 14 1 1 A 99 99 THR C C 99 175.929 173.984 1.945 1 1 1178 . 14 1 1 A 99 99 THR CA C 99 60.341 61.871 -1.530 1 1 1179 . 14 1 1 A 99 99 THR CB C 99 70.070 71.203 -1.133 1 1 1181 . 14 1 1 A 99 99 THR N N 99 112.214 113.245 -1.031 1 1 1182 . 14 1 1 A 100 100 LEU H H 100 7.368 8.579 -1.211 1 1 1183 . 14 1 1 A 100 100 LEU HA H 100 4.310 4.447 -0.137 1 1 1193 . 14 1 1 A 100 100 LEU C C 100 177.359 176.863 0.496 1 1 1194 . 14 1 1 A 100 100 LEU CA C 100 54.790 54.932 -0.142 1 1 1195 . 14 1 1 A 100 100 LEU CB C 100 42.096 42.132 -0.036 1 1 1199 . 14 1 1 A 100 100 LEU N N 100 117.018 122.682 -5.664 1 1 1200 . 14 1 1 A 101 101 THR H H 101 7.997 8.639 -0.642 1 1 1201 . 14 1 1 A 101 101 THR HA H 101 4.123 5.093 -0.970 1 1 1206 . 14 1 1 A 101 101 THR C C 101 174.014 172.541 1.473 1 1 1207 . 14 1 1 A 101 101 THR CA C 101 61.968 60.628 1.340 1 1 1208 . 14 1 1 A 101 101 THR CB C 101 70.172 69.948 0.224 1 1 1210 . 14 1 1 A 101 101 THR N N 101 110.428 117.554 -7.126 1 1 1211 . 14 1 1 A 102 102 ASP H H 102 8.320 9.029 -0.709 1 1 1212 . 14 1 1 A 102 102 ASP HA H 102 4.853 4.850 0.003 1 1 1215 . 14 1 1 A 102 102 ASP C C 102 176.204 174.766 1.438 1 1 1216 . 14 1 1 A 102 102 ASP CA C 102 53.694 53.075 0.619 1 1 1217 . 14 1 1 A 102 102 ASP CB C 102 41.808 40.872 0.936 1 1 1218 . 14 1 1 A 102 102 ASP N N 102 120.693 127.952 -7.259 1 1 1219 . 14 1 1 A 103 103 SER H H 103 8.294 8.882 -0.588 1 1 1220 . 14 1 1 A 103 103 SER HA H 103 4.486 5.175 -0.689 1 1 1223 . 14 1 1 A 103 103 SER C C 103 174.875 174.259 0.616 1 1 1224 . 14 1 1 A 103 103 SER CA C 103 58.361 56.294 2.067 1 1 1225 . 14 1 1 A 103 103 SER CB C 103 63.942 65.376 -1.434 1 1 1226 . 14 1 1 A 103 103 SER N N 103 117.442 122.134 -4.692 1 1 1227 . 14 1 1 A 104 104 GLY H H 104 8.393 8.685 -0.292 1 1 1228 . 14 1 1 A 104 104 GLY HA2 H 104 4.104 4.012 0.092 1 1 1229 . 14 1 1 A 104 104 GLY HA3 H 104 4.104 4.012 0.092 1 1 1230 . 14 1 1 A 104 104 GLY C C 104 172.016 173.486 -1.470 1 1 1231 . 14 1 1 A 104 104 GLY CA C 104 44.800 45.116 -0.316 1 1 1232 . 14 1 1 A 104 104 GLY N N 104 111.065 113.969 -2.904 1 1 1233 . 14 1 1 A 105 105 PRO HA H 105 4.475 4.741 -0.266 1 1 1240 . 14 1 1 A 105 105 PRO C C 105 177.464 175.257 2.207 1 1 1241 . 14 1 1 A 105 105 PRO CA C 105 63.329 62.758 0.571 1 1 1242 . 14 1 1 A 105 105 PRO CB C 105 32.249 31.555 0.694 1 1 1245 . 14 1 1 A 106 106 SER H H 106 8.514 8.891 -0.377 1 1 1246 . 14 1 1 A 106 106 SER HA H 106 4.512 4.947 -0.435 1 1 1249 . 14 1 1 A 106 106 SER C C 106 174.735 172.262 2.473 1 1 1250 . 14 1 1 A 106 106 SER CA C 106 58.361 57.352 1.009 1 1 1251 . 14 1 1 A 106 106 SER CB C 106 63.820 65.813 -1.993 1 1 1252 . 14 1 1 A 106 106 SER N N 106 116.429 118.980 -2.551 1 1 1253 . 14 1 1 A 107 107 SER H H 107 8.329 8.812 -0.483 1 1 1254 . 14 1 1 A 107 107 SER HA H 107 4.512 5.119 -0.607 1 1 1257 . 14 1 1 A 107 107 SER C C 107 174.004 173.982 0.022 1 1 1258 . 14 1 1 A 107 107 SER CA C 107 58.414 56.681 1.733 1 1 1259 . 14 1 1 A 107 107 SER CB C 107 64.014 65.106 -1.092 1 1 1260 . 14 1 1 A 107 107 SER N N 107 117.919 119.799 -1.880 1 1 1 . 15 1 1 A 6 6 SER HA H 6 4.523 4.455 0.068 1 1 3 . 15 1 1 A 6 6 SER CA C 6 58.535 59.405 -0.870 1 1 4 . 15 1 1 A 6 6 SER CB C 6 64.106 64.874 -0.768 1 1 5 . 15 1 1 A 7 7 GLY H H 7 8.202 7.373 0.829 1 1 6 . 15 1 1 A 7 7 GLY HA2 H 7 3.881 4.053 -0.172 1 1 7 . 15 1 1 A 7 7 GLY HA3 H 7 3.740 4.053 -0.313 1 1 8 . 15 1 1 A 7 7 GLY CA C 7 44.322 45.301 -0.979 1 1 9 . 15 1 1 A 7 7 GLY N N 7 109.573 106.500 3.073 1 1 10 . 15 1 1 A 8 8 PRO HA H 8 4.641 4.483 0.158 1 1 17 . 15 1 1 A 8 8 PRO C C 8 176.480 176.718 -0.238 1 1 18 . 15 1 1 A 8 8 PRO CA C 8 62.582 62.694 -0.112 1 1 19 . 15 1 1 A 8 8 PRO CB C 8 32.331 32.195 0.136 1 1 22 . 15 1 1 A 9 9 SER H H 9 8.061 8.676 -0.615 1 1 23 . 15 1 1 A 9 9 SER HA H 9 4.374 4.447 -0.073 1 1 26 . 15 1 1 A 9 9 SER C C 9 173.090 173.475 -0.385 1 1 27 . 15 1 1 A 9 9 SER CA C 9 58.754 58.849 -0.095 1 1 28 . 15 1 1 A 9 9 SER CB C 9 63.667 64.112 -0.445 1 1 29 . 15 1 1 A 9 9 SER N N 9 115.137 117.700 -2.563 1 1 30 . 15 1 1 A 10 10 THR H H 10 8.359 8.522 -0.163 1 1 31 . 15 1 1 A 10 10 THR HA H 10 4.027 4.921 -0.894 1 1 36 . 15 1 1 A 10 10 THR C C 10 175.380 173.447 1.933 1 1 37 . 15 1 1 A 10 10 THR CA C 10 62.781 60.533 2.248 1 1 38 . 15 1 1 A 10 10 THR CB C 10 69.617 71.896 -2.279 1 1 40 . 15 1 1 A 10 10 THR N N 10 115.079 117.285 -2.206 1 1 41 . 15 1 1 A 11 11 VAL H H 11 9.280 8.725 0.555 1 1 42 . 15 1 1 A 11 11 VAL HA H 11 4.097 4.113 -0.016 1 1 50 . 15 1 1 A 11 11 VAL C C 11 175.706 176.334 -0.628 1 1 51 . 15 1 1 A 11 11 VAL CA C 11 61.518 61.719 -0.201 1 1 52 . 15 1 1 A 11 11 VAL CB C 11 33.174 31.996 1.178 1 1 55 . 15 1 1 A 11 11 VAL N N 11 131.182 128.124 3.058 1 1 56 . 15 1 1 A 12 12 PRO HA H 12 4.415 4.468 -0.053 1 1 63 . 15 1 1 A 12 12 PRO C C 12 175.612 176.456 -0.844 1 1 64 . 15 1 1 A 12 12 PRO CA C 12 64.850 65.062 -0.212 1 1 65 . 15 1 1 A 12 12 PRO CB C 12 32.578 32.120 0.458 1 1 68 . 15 1 1 A 13 13 ILE H H 13 7.251 7.577 -0.326 1 1 69 . 15 1 1 A 13 13 ILE HA H 13 4.439 4.620 -0.181 1 1 79 . 15 1 1 A 13 13 ILE C C 13 170.969 173.386 -2.417 1 1 80 . 15 1 1 A 13 13 ILE CA C 13 59.973 59.188 0.785 1 1 81 . 15 1 1 A 13 13 ILE CB C 13 40.776 41.222 -0.446 1 1 85 . 15 1 1 A 13 13 ILE N N 13 115.827 116.259 -0.432 1 1 86 . 15 1 1 A 14 14 MET H H 14 6.827 8.622 -1.795 1 1 87 . 15 1 1 A 14 14 MET HA H 14 4.961 5.315 -0.354 1 1 95 . 15 1 1 A 14 14 MET C C 14 173.380 175.088 -1.708 1 1 96 . 15 1 1 A 14 14 MET CA C 14 55.214 53.900 1.314 1 1 97 . 15 1 1 A 14 14 MET CB C 14 38.223 35.281 2.942 1 1 100 . 15 1 1 A 14 14 MET N N 14 116.754 124.991 -8.237 1 1 101 . 15 1 1 A 15 15 HIS H H 15 9.417 9.334 0.083 1 1 102 . 15 1 1 A 15 15 HIS HA H 15 4.958 5.168 -0.210 1 1 107 . 15 1 1 A 15 15 HIS C C 15 173.901 173.729 0.172 1 1 108 . 15 1 1 A 15 15 HIS CA C 15 55.190 54.381 0.809 1 1 109 . 15 1 1 A 15 15 HIS CB C 15 33.361 33.048 0.313 1 1 112 . 15 1 1 A 15 15 HIS N N 15 118.539 118.787 -0.248 1 1 113 . 15 1 1 A 16 16 GLN H H 16 9.164 8.849 0.315 1 1 114 . 15 1 1 A 16 16 GLN HA H 16 4.385 4.419 -0.034 1 1 121 . 15 1 1 A 16 16 GLN C C 16 175.463 175.074 0.389 1 1 122 . 15 1 1 A 16 16 GLN CA C 16 55.992 55.086 0.906 1 1 123 . 15 1 1 A 16 16 GLN CB C 16 29.159 30.236 -1.077 1 1 125 . 15 1 1 A 16 16 GLN N N 16 123.267 124.514 -1.247 1 1 127 . 15 1 1 A 17 17 VAL H H 17 8.983 8.882 0.101 1 1 128 . 15 1 1 A 17 17 VAL HA H 17 3.910 4.116 -0.206 1 1 136 . 15 1 1 A 17 17 VAL C C 17 176.328 175.827 0.501 1 1 137 . 15 1 1 A 17 17 VAL CA C 17 63.807 63.300 0.507 1 1 138 . 15 1 1 A 17 17 VAL CB C 17 33.088 33.151 -0.063 1 1 141 . 15 1 1 A 17 17 VAL N N 17 128.880 127.279 1.601 1 1 142 . 15 1 1 A 18 18 SER H H 18 7.740 7.615 0.125 1 1 143 . 15 1 1 A 18 18 SER HA H 18 4.589 4.835 -0.246 1 1 146 . 15 1 1 A 18 18 SER C C 18 171.965 172.020 -0.055 1 1 147 . 15 1 1 A 18 18 SER CA C 18 57.441 57.910 -0.469 1 1 148 . 15 1 1 A 18 18 SER CB C 18 64.058 66.954 -2.896 1 1 149 . 15 1 1 A 18 18 SER N N 18 110.447 113.476 -3.029 1 1 150 . 15 1 1 A 19 19 ALA H H 19 8.114 8.411 -0.297 1 1 151 . 15 1 1 A 19 19 ALA HA H 19 5.086 4.929 0.157 1 1 155 . 15 1 1 A 19 19 ALA C C 19 176.404 176.064 0.340 1 1 156 . 15 1 1 A 19 19 ALA CA C 19 52.453 51.531 0.922 1 1 157 . 15 1 1 A 19 19 ALA CB C 19 23.038 23.406 -0.368 1 1 158 . 15 1 1 A 19 19 ALA N N 19 121.116 123.137 -2.021 1 1 159 . 15 1 1 A 20 20 THR H H 20 8.710 8.853 -0.143 1 1 160 . 15 1 1 A 20 20 THR HA H 20 4.787 4.872 -0.085 1 1 165 . 15 1 1 A 20 20 THR C C 20 175.596 174.668 0.928 1 1 166 . 15 1 1 A 20 20 THR CA C 20 60.341 59.850 0.491 1 1 167 . 15 1 1 A 20 20 THR CB C 20 71.307 71.822 -0.515 1 1 169 . 15 1 1 A 20 20 THR N N 20 110.762 110.637 0.125 1 1 170 . 15 1 1 A 21 21 MET H H 21 8.686 8.735 -0.049 1 1 171 . 15 1 1 A 21 21 MET HA H 21 4.618 4.396 0.222 1 1 179 . 15 1 1 A 21 21 MET C C 21 174.754 177.079 -2.325 1 1 180 . 15 1 1 A 21 21 MET CA C 21 59.272 57.416 1.856 1 1 181 . 15 1 1 A 21 21 MET CB C 21 34.488 32.850 1.638 1 1 184 . 15 1 1 A 21 21 MET N N 21 118.478 119.882 -1.404 1 1 185 . 15 1 1 A 22 22 ARG H H 22 7.296 7.940 -0.644 1 1 186 . 15 1 1 A 22 22 ARG HA H 22 4.453 4.467 -0.014 1 1 193 . 15 1 1 A 22 22 ARG C C 22 174.722 175.283 -0.561 1 1 194 . 15 1 1 A 22 22 ARG CA C 22 54.218 55.827 -1.609 1 1 195 . 15 1 1 A 22 22 ARG CB C 22 32.509 31.557 0.952 1 1 198 . 15 1 1 A 22 22 ARG N N 22 108.176 116.599 -8.423 1 1 199 . 15 1 1 A 23 23 SER H H 23 7.387 7.752 -0.365 1 1 200 . 15 1 1 A 23 23 SER HA H 23 5.353 5.047 0.306 1 1 203 . 15 1 1 A 23 23 SER C C 23 171.910 172.404 -0.494 1 1 204 . 15 1 1 A 23 23 SER CA C 23 57.230 57.631 -0.401 1 1 205 . 15 1 1 A 23 23 SER CB C 23 68.011 67.229 0.782 1 1 206 . 15 1 1 A 23 23 SER N N 23 114.861 113.939 0.922 1 1 207 . 15 1 1 A 24 24 ILE H H 24 8.061 8.536 -0.475 1 1 208 . 15 1 1 A 24 24 ILE HA H 24 4.470 4.781 -0.311 1 1 218 . 15 1 1 A 24 24 ILE C C 24 174.028 174.959 -0.931 1 1 219 . 15 1 1 A 24 24 ILE CA C 24 61.402 59.967 1.435 1 1 220 . 15 1 1 A 24 24 ILE CB C 24 43.249 42.250 0.999 1 1 224 . 15 1 1 A 24 24 ILE N N 24 116.152 121.123 -4.971 1 1 225 . 15 1 1 A 25 25 THR H H 25 8.584 8.649 -0.065 1 1 226 . 15 1 1 A 25 25 THR HA H 25 5.107 5.034 0.073 1 1 231 . 15 1 1 A 25 25 THR C C 25 173.463 173.280 0.183 1 1 232 . 15 1 1 A 25 25 THR CA C 25 62.127 61.138 0.989 1 1 233 . 15 1 1 A 25 25 THR CB C 25 68.954 71.146 -2.192 1 1 235 . 15 1 1 A 25 25 THR N N 25 122.080 121.079 1.001 1 1 236 . 15 1 1 A 26 26 LEU H H 26 9.093 8.271 0.822 1 1 237 . 15 1 1 A 26 26 LEU HA H 26 5.427 4.887 0.540 1 1 247 . 15 1 1 A 26 26 LEU C C 26 175.180 175.235 -0.055 1 1 248 . 15 1 1 A 26 26 LEU CA C 26 53.181 53.552 -0.371 1 1 249 . 15 1 1 A 26 26 LEU CB C 26 46.902 46.788 0.114 1 1 253 . 15 1 1 A 26 26 LEU N N 26 128.231 125.687 2.544 1 1 254 . 15 1 1 A 27 27 SER H H 27 9.260 9.073 0.187 1 1 255 . 15 1 1 A 27 27 SER HA H 27 4.757 4.880 -0.123 1 1 258 . 15 1 1 A 27 27 SER C C 27 172.413 172.678 -0.265 1 1 259 . 15 1 1 A 27 27 SER CA C 27 56.912 57.120 -0.208 1 1 260 . 15 1 1 A 27 27 SER CB C 27 66.220 65.504 0.716 1 1 261 . 15 1 1 A 27 27 SER N N 27 115.325 115.188 0.137 1 1 262 . 15 1 1 A 28 28 TRP H H 28 7.430 8.044 -0.614 1 1 263 . 15 1 1 A 28 28 TRP HA H 28 5.212 5.316 -0.104 1 1 272 . 15 1 1 A 28 28 TRP C C 28 171.555 173.200 -1.645 1 1 273 . 15 1 1 A 28 28 TRP CA C 28 55.143 55.042 0.101 1 1 274 . 15 1 1 A 28 28 TRP CB C 28 28.918 31.416 -2.498 1 1 280 . 15 1 1 A 28 28 TRP N N 28 119.703 121.671 -1.968 1 1 282 . 15 1 1 A 29 29 PRO HA H 29 4.543 4.599 -0.056 1 1 289 . 15 1 1 A 29 29 PRO C C 29 175.962 176.273 -0.311 1 1 290 . 15 1 1 A 29 29 PRO CA C 29 61.702 62.880 -1.178 1 1 291 . 15 1 1 A 29 29 PRO CB C 29 32.041 32.180 -0.139 1 1 294 . 15 1 1 A 30 30 GLN H H 30 8.248 8.528 -0.280 1 1 295 . 15 1 1 A 30 30 GLN HA H 30 4.654 4.639 0.015 1 1 302 . 15 1 1 A 30 30 GLN C C 30 174.856 174.819 0.037 1 1 303 . 15 1 1 A 30 30 GLN CA C 30 54.524 54.144 0.380 1 1 304 . 15 1 1 A 30 30 GLN CB C 30 28.623 29.470 -0.847 1 1 306 . 15 1 1 A 30 30 GLN N N 30 117.321 121.543 -4.222 1 1 308 . 15 1 1 A 31 31 PRO HA H 31 4.116 4.773 -0.657 1 1 315 . 15 1 1 A 31 31 PRO C C 31 175.787 176.110 -0.323 1 1 316 . 15 1 1 A 31 31 PRO CA C 31 63.364 62.962 0.402 1 1 317 . 15 1 1 A 31 31 PRO CB C 31 32.503 33.211 -0.708 1 1 320 . 15 1 1 A 32 32 GLU H H 32 8.367 8.336 0.031 1 1 321 . 15 1 1 A 32 32 GLU HA H 32 4.004 4.466 -0.462 1 1 326 . 15 1 1 A 32 32 GLU C C 32 176.748 176.765 -0.017 1 1 327 . 15 1 1 A 32 32 GLU CA C 32 58.644 56.658 1.986 1 1 328 . 15 1 1 A 32 32 GLU CB C 32 30.271 31.000 -0.729 1 1 330 . 15 1 1 A 32 32 GLU N N 32 122.959 118.061 4.898 1 1 331 . 15 1 1 A 33 33 GLN H H 33 8.220 7.702 0.518 1 1 332 . 15 1 1 A 33 33 GLN HA H 33 4.820 4.894 -0.074 1 1 339 . 15 1 1 A 33 33 GLN C C 33 172.938 174.274 -1.336 1 1 340 . 15 1 1 A 33 33 GLN CA C 33 52.544 53.448 -0.904 1 1 341 . 15 1 1 A 33 33 GLN CB C 33 29.077 29.195 -0.118 1 1 343 . 15 1 1 A 33 33 GLN N N 33 116.413 119.409 -2.996 1 1 345 . 15 1 1 A 34 34 PRO HA H 34 4.039 4.403 -0.364 1 1 352 . 15 1 1 A 34 34 PRO C C 34 175.293 176.666 -1.373 1 1 353 . 15 1 1 A 34 34 PRO CA C 34 64.248 63.627 0.621 1 1 354 . 15 1 1 A 34 34 PRO CB C 34 31.974 32.115 -0.141 1 1 357 . 15 1 1 A 35 35 ASN H H 35 8.478 8.104 0.374 1 1 358 . 15 1 1 A 35 35 ASN HA H 35 4.270 4.402 -0.132 1 1 363 . 15 1 1 A 35 35 ASN C C 35 173.982 174.497 -0.515 1 1 364 . 15 1 1 A 35 35 ASN CA C 35 53.655 54.450 -0.795 1 1 365 . 15 1 1 A 35 35 ASN CB C 35 37.151 37.326 -0.175 1 1 366 . 15 1 1 A 35 35 ASN N N 35 111.907 115.114 -3.207 1 1 368 . 15 1 1 A 36 36 GLY H H 36 7.537 8.000 -0.463 1 1 369 . 15 1 1 A 36 36 GLY HA2 H 36 4.247 3.998 0.249 1 1 370 . 15 1 1 A 36 36 GLY HA3 H 36 3.749 4.008 -0.259 1 1 371 . 15 1 1 A 36 36 GLY C C 36 172.062 172.589 -0.527 1 1 372 . 15 1 1 A 36 36 GLY CA C 36 44.147 44.450 -0.303 1 1 373 . 15 1 1 A 36 36 GLY N N 36 105.149 106.159 -1.010 1 1 374 . 15 1 1 A 37 37 ILE H H 37 8.107 8.535 -0.428 1 1 375 . 15 1 1 A 37 37 ILE HA H 37 4.017 3.983 0.034 1 1 385 . 15 1 1 A 37 37 ILE C C 37 176.534 175.965 0.569 1 1 386 . 15 1 1 A 37 37 ILE CA C 37 60.331 61.906 -1.575 1 1 387 . 15 1 1 A 37 37 ILE CB C 37 38.929 37.250 1.679 1 1 391 . 15 1 1 A 37 37 ILE N N 37 120.104 121.643 -1.539 1 1 392 . 15 1 1 A 38 38 ILE H H 38 8.678 8.566 0.112 1 1 393 . 15 1 1 A 38 38 ILE HA H 38 3.695 3.936 -0.241 1 1 403 . 15 1 1 A 38 38 ILE C C 38 176.027 175.499 0.528 1 1 404 . 15 1 1 A 38 38 ILE CA C 38 61.811 62.057 -0.246 1 1 405 . 15 1 1 A 38 38 ILE CB C 38 37.028 36.834 0.194 1 1 409 . 15 1 1 A 38 38 ILE N N 38 127.591 129.509 -1.918 1 1 410 . 15 1 1 A 39 39 LEU H H 39 9.054 8.581 0.473 1 1 411 . 15 1 1 A 39 39 LEU HA H 39 4.188 4.068 0.120 1 1 421 . 15 1 1 A 39 39 LEU C C 39 176.826 176.608 0.218 1 1 422 . 15 1 1 A 39 39 LEU CA C 39 56.416 57.157 -0.741 1 1 423 . 15 1 1 A 39 39 LEU CB C 39 42.664 42.335 0.329 1 1 427 . 15 1 1 A 39 39 LEU N N 39 130.577 129.835 0.742 1 1 428 . 15 1 1 A 40 40 ASP H H 40 7.502 7.576 -0.074 1 1 429 . 15 1 1 A 40 40 ASP HA H 40 4.392 5.022 -0.630 1 1 432 . 15 1 1 A 40 40 ASP C C 40 171.781 173.741 -1.960 1 1 433 . 15 1 1 A 40 40 ASP CA C 40 52.884 52.629 0.255 1 1 434 . 15 1 1 A 40 40 ASP CB C 40 41.985 45.010 -3.025 1 1 435 . 15 1 1 A 40 40 ASP N N 40 112.731 115.497 -2.766 1 1 436 . 15 1 1 A 41 41 TYR H H 41 8.974 8.825 0.149 1 1 437 . 15 1 1 A 41 41 TYR HA H 41 5.379 5.353 0.026 1 1 444 . 15 1 1 A 41 41 TYR C C 41 175.555 174.645 0.910 1 1 445 . 15 1 1 A 41 41 TYR CA C 41 56.574 56.767 -0.193 1 1 446 . 15 1 1 A 41 41 TYR CB C 41 42.213 41.572 0.641 1 1 449 . 15 1 1 A 41 41 TYR N N 41 111.324 117.677 -6.353 1 1 450 . 15 1 1 A 42 42 GLU H H 42 9.184 9.098 0.086 1 1 451 . 15 1 1 A 42 42 GLU HA H 42 5.066 4.942 0.124 1 1 456 . 15 1 1 A 42 42 GLU C C 42 174.368 175.255 -0.887 1 1 457 . 15 1 1 A 42 42 GLU CA C 42 55.126 55.852 -0.726 1 1 458 . 15 1 1 A 42 42 GLU CB C 42 33.471 31.417 2.054 1 1 460 . 15 1 1 A 42 42 GLU N N 42 120.875 124.400 -3.525 1 1 461 . 15 1 1 A 43 43 ILE H H 43 9.355 9.074 0.281 1 1 462 . 15 1 1 A 43 43 ILE HA H 43 4.853 5.097 -0.244 1 1 472 . 15 1 1 A 43 43 ILE C C 43 174.430 174.380 0.050 1 1 473 . 15 1 1 A 43 43 ILE CA C 43 60.323 60.370 -0.047 1 1 474 . 15 1 1 A 43 43 ILE CB C 43 40.297 40.879 -0.582 1 1 478 . 15 1 1 A 43 43 ILE N N 43 126.045 127.101 -1.056 1 1 479 . 15 1 1 A 44 44 ARG H H 44 9.097 9.050 0.047 1 1 480 . 15 1 1 A 44 44 ARG HA H 44 5.545 5.256 0.289 1 1 487 . 15 1 1 A 44 44 ARG C C 44 175.523 174.410 1.113 1 1 488 . 15 1 1 A 44 44 ARG CA C 44 54.386 54.411 -0.025 1 1 489 . 15 1 1 A 44 44 ARG CB C 44 34.638 32.935 1.703 1 1 492 . 15 1 1 A 44 44 ARG N N 44 127.831 129.166 -1.335 1 1 493 . 15 1 1 A 45 45 TYR H H 45 8.893 8.934 -0.041 1 1 494 . 15 1 1 A 45 45 TYR HA H 45 6.272 6.117 0.155 1 1 501 . 15 1 1 A 45 45 TYR C C 45 173.560 173.333 0.227 1 1 502 . 15 1 1 A 45 45 TYR CA C 45 54.767 55.428 -0.661 1 1 503 . 15 1 1 A 45 45 TYR CB C 45 43.168 42.449 0.719 1 1 508 . 15 1 1 A 45 45 TYR N N 45 123.683 123.124 0.559 1 1 509 . 15 1 1 A 46 46 TYR H H 46 8.479 8.749 -0.270 1 1 510 . 15 1 1 A 46 46 TYR HA H 46 5.048 5.134 -0.086 1 1 517 . 15 1 1 A 46 46 TYR C C 46 173.870 174.515 -0.645 1 1 518 . 15 1 1 A 46 46 TYR CA C 46 55.485 56.027 -0.542 1 1 519 . 15 1 1 A 46 46 TYR CB C 46 39.975 41.182 -1.207 1 1 524 . 15 1 1 A 46 46 TYR N N 46 114.778 117.552 -2.774 1 1 525 . 15 1 1 A 47 47 GLU H H 47 9.111 8.568 0.543 1 1 526 . 15 1 1 A 47 47 GLU HA H 47 3.819 4.028 -0.209 1 1 531 . 15 1 1 A 47 47 GLU C C 47 177.764 177.607 0.157 1 1 532 . 15 1 1 A 47 47 GLU CA C 47 57.123 57.077 0.046 1 1 533 . 15 1 1 A 47 47 GLU CB C 47 29.773 29.753 0.020 1 1 535 . 15 1 1 A 47 47 GLU N N 47 122.069 121.610 0.459 1 1 536 . 15 1 1 A 48 48 LYS H H 48 8.246 8.535 -0.289 1 1 537 . 15 1 1 A 48 48 LYS HA H 48 3.722 3.829 -0.107 1 1 546 . 15 1 1 A 48 48 LYS C C 48 176.588 178.277 -1.689 1 1 547 . 15 1 1 A 48 48 LYS CA C 48 59.774 59.418 0.356 1 1 548 . 15 1 1 A 48 48 LYS CB C 48 33.032 32.217 0.815 1 1 552 . 15 1 1 A 48 48 LYS N N 48 122.857 125.206 -2.349 1 1 553 . 15 1 1 A 49 49 GLU H H 49 8.192 7.766 0.426 1 1 554 . 15 1 1 A 49 49 GLU HA H 49 4.216 4.326 -0.110 1 1 559 . 15 1 1 A 49 49 GLU C C 49 176.987 177.681 -0.694 1 1 560 . 15 1 1 A 49 49 GLU CA C 49 57.447 58.412 -0.965 1 1 561 . 15 1 1 A 49 49 GLU CB C 49 28.987 30.316 -1.329 1 1 563 . 15 1 1 A 49 49 GLU N N 49 114.305 116.834 -2.529 1 1 564 . 15 1 1 A 50 50 HIS H H 50 8.329 8.134 0.195 1 1 565 . 15 1 1 A 50 50 HIS HA H 50 4.928 4.694 0.234 1 1 570 . 15 1 1 A 50 50 HIS C C 50 173.255 175.342 -2.087 1 1 571 . 15 1 1 A 50 50 HIS CA C 50 54.372 56.883 -2.511 1 1 572 . 15 1 1 A 50 50 HIS CB C 50 31.082 30.751 0.331 1 1 575 . 15 1 1 A 50 50 HIS N N 50 120.021 118.788 1.233 1 1 576 . 15 1 1 A 51 51 ASN H H 51 7.687 8.694 -1.007 1 1 577 . 15 1 1 A 51 51 ASN HA H 51 4.259 4.719 -0.460 1 1 582 . 15 1 1 A 51 51 ASN C C 51 174.779 175.496 -0.717 1 1 583 . 15 1 1 A 51 51 ASN CA C 51 52.561 51.678 0.883 1 1 584 . 15 1 1 A 51 51 ASN CB C 51 39.474 41.088 -1.614 1 1 585 . 15 1 1 A 51 51 ASN N N 51 114.158 118.665 -4.507 1 1 587 . 15 1 1 A 52 52 GLU H H 52 8.551 8.475 0.076 1 1 588 . 15 1 1 A 52 52 GLU HA H 52 2.797 3.417 -0.620 1 1 593 . 15 1 1 A 52 52 GLU C C 52 177.117 178.708 -1.591 1 1 594 . 15 1 1 A 52 52 GLU CA C 52 58.155 59.162 -1.007 1 1 595 . 15 1 1 A 52 52 GLU CB C 52 28.912 28.924 -0.012 1 1 597 . 15 1 1 A 52 52 GLU N N 52 117.019 121.136 -4.117 1 1 598 . 15 1 1 A 53 53 PHE H H 53 7.855 7.525 0.330 1 1 599 . 15 1 1 A 53 53 PHE HA H 53 4.371 4.301 0.070 1 1 607 . 15 1 1 A 53 53 PHE C C 53 175.783 176.677 -0.894 1 1 608 . 15 1 1 A 53 53 PHE CA C 53 58.785 60.816 -2.031 1 1 609 . 15 1 1 A 53 53 PHE CB C 53 37.747 38.932 -1.185 1 1 615 . 15 1 1 A 53 53 PHE N N 53 119.462 118.916 0.546 1 1 616 . 15 1 1 A 54 54 ASN H H 54 7.744 8.013 -0.269 1 1 617 . 15 1 1 A 54 54 ASN HA H 54 4.948 4.887 0.061 1 1 622 . 15 1 1 A 54 54 ASN C C 54 173.922 173.761 0.161 1 1 623 . 15 1 1 A 54 54 ASN CA C 54 52.102 52.286 -0.184 1 1 624 . 15 1 1 A 54 54 ASN CB C 54 38.637 37.122 1.515 1 1 625 . 15 1 1 A 54 54 ASN N N 54 120.451 116.188 4.263 1 1 627 . 15 1 1 A 55 55 SER H H 55 7.469 7.845 -0.376 1 1 628 . 15 1 1 A 55 55 SER HA H 55 4.710 5.439 -0.729 1 1 631 . 15 1 1 A 55 55 SER C C 55 173.922 173.694 0.228 1 1 632 . 15 1 1 A 55 55 SER CA C 55 57.883 55.707 2.176 1 1 633 . 15 1 1 A 55 55 SER CB C 55 66.064 66.175 -0.111 1 1 634 . 15 1 1 A 55 55 SER N N 55 113.429 114.757 -1.328 1 1 635 . 15 1 1 A 56 56 SER H H 56 8.458 8.296 0.162 1 1 636 . 15 1 1 A 56 56 SER HA H 56 4.632 5.066 -0.434 1 1 639 . 15 1 1 A 56 56 SER C C 56 171.119 173.246 -2.127 1 1 640 . 15 1 1 A 56 56 SER CA C 56 57.866 57.479 0.387 1 1 641 . 15 1 1 A 56 56 SER CB C 56 65.164 64.536 0.628 1 1 642 . 15 1 1 A 56 56 SER N N 56 116.653 118.444 -1.791 1 1 643 . 15 1 1 A 57 57 MET H H 57 8.355 8.849 -0.494 1 1 644 . 15 1 1 A 57 57 MET HA H 57 5.776 5.876 -0.100 1 1 652 . 15 1 1 A 57 57 MET C C 57 175.771 175.034 0.737 1 1 653 . 15 1 1 A 57 57 MET CA C 57 53.913 54.156 -0.243 1 1 654 . 15 1 1 A 57 57 MET CB C 57 36.115 36.946 -0.831 1 1 657 . 15 1 1 A 57 57 MET N N 57 119.463 123.872 -4.409 1 1 658 . 15 1 1 A 58 58 ALA H H 58 9.547 9.115 0.432 1 1 659 . 15 1 1 A 58 58 ALA HA H 58 4.890 5.274 -0.384 1 1 663 . 15 1 1 A 58 58 ALA C C 58 175.328 175.916 -0.588 1 1 664 . 15 1 1 A 58 58 ALA CA C 58 50.829 50.669 0.160 1 1 665 . 15 1 1 A 58 58 ALA CB C 58 22.649 23.474 -0.825 1 1 666 . 15 1 1 A 58 58 ALA N N 58 127.410 124.436 2.974 1 1 667 . 15 1 1 A 59 59 ARG H H 59 8.776 8.611 0.165 1 1 668 . 15 1 1 A 59 59 ARG HA H 59 5.567 4.843 0.724 1 1 675 . 15 1 1 A 59 59 ARG C C 59 176.336 175.336 1.000 1 1 676 . 15 1 1 A 59 59 ARG CA C 59 54.843 55.860 -1.017 1 1 677 . 15 1 1 A 59 59 ARG CB C 59 33.691 32.248 1.443 1 1 680 . 15 1 1 A 59 59 ARG N N 59 119.945 121.804 -1.859 1 1 681 . 15 1 1 A 60 60 SER H H 60 8.919 8.254 0.665 1 1 682 . 15 1 1 A 60 60 SER HA H 60 5.011 5.210 -0.199 1 1 685 . 15 1 1 A 60 60 SER C C 60 174.614 173.740 0.874 1 1 686 . 15 1 1 A 60 60 SER CA C 60 56.752 56.902 -0.150 1 1 687 . 15 1 1 A 60 60 SER CB C 60 66.198 65.327 0.871 1 1 688 . 15 1 1 A 60 60 SER N N 60 115.274 116.039 -0.765 1 1 689 . 15 1 1 A 61 61 GLN H H 61 9.367 8.803 0.564 1 1 690 . 15 1 1 A 61 61 GLN HA H 61 4.556 4.627 -0.071 1 1 697 . 15 1 1 A 61 61 GLN C C 61 175.391 175.147 0.244 1 1 698 . 15 1 1 A 61 61 GLN CA C 61 57.664 56.245 1.419 1 1 699 . 15 1 1 A 61 61 GLN CB C 61 29.763 29.284 0.479 1 1 701 . 15 1 1 A 61 61 GLN N N 61 124.808 124.255 0.553 1 1 703 . 15 1 1 A 62 62 THR H H 62 8.075 7.594 0.481 1 1 704 . 15 1 1 A 62 62 THR HA H 62 4.918 4.597 0.321 1 1 709 . 15 1 1 A 62 62 THR C C 62 173.106 172.736 0.370 1 1 710 . 15 1 1 A 62 62 THR CA C 62 59.369 60.482 -1.113 1 1 711 . 15 1 1 A 62 62 THR CB C 62 70.607 69.495 1.112 1 1 713 . 15 1 1 A 62 62 THR N N 62 110.260 113.862 -3.602 1 1 714 . 15 1 1 A 63 63 ASN H H 63 8.575 8.377 0.198 1 1 715 . 15 1 1 A 63 63 ASN HA H 63 3.457 3.941 -0.484 1 1 720 . 15 1 1 A 63 63 ASN C C 63 172.343 173.566 -1.223 1 1 721 . 15 1 1 A 63 63 ASN CA C 63 53.270 52.676 0.594 1 1 722 . 15 1 1 A 63 63 ASN CB C 63 34.441 38.588 -4.147 1 1 723 . 15 1 1 A 63 63 ASN N N 63 119.090 120.866 -1.776 1 1 725 . 15 1 1 A 64 64 THR H H 64 6.850 7.160 -0.310 1 1 726 . 15 1 1 A 64 64 THR HA H 64 4.296 3.975 0.321 1 1 731 . 15 1 1 A 64 64 THR C C 64 172.238 171.913 0.325 1 1 732 . 15 1 1 A 64 64 THR CA C 64 60.501 60.550 -0.049 1 1 733 . 15 1 1 A 64 64 THR CB C 64 71.252 71.282 -0.030 1 1 735 . 15 1 1 A 64 64 THR N N 64 111.612 113.644 -2.032 1 1 736 . 15 1 1 A 65 65 ALA H H 65 8.619 8.301 0.318 1 1 737 . 15 1 1 A 65 65 ALA HA H 65 4.595 5.079 -0.484 1 1 741 . 15 1 1 A 65 65 ALA C C 65 174.046 174.690 -0.644 1 1 742 . 15 1 1 A 65 65 ALA CA C 65 52.102 51.284 0.818 1 1 743 . 15 1 1 A 65 65 ALA CB C 65 22.427 23.193 -0.766 1 1 744 . 15 1 1 A 65 65 ALA N N 65 124.370 130.295 -5.925 1 1 745 . 15 1 1 A 66 66 ARG H H 66 8.533 8.863 -0.330 1 1 746 . 15 1 1 A 66 66 ARG HA H 66 4.973 5.218 -0.245 1 1 753 . 15 1 1 A 66 66 ARG C C 66 175.240 174.604 0.636 1 1 754 . 15 1 1 A 66 66 ARG CA C 66 54.560 54.505 0.055 1 1 755 . 15 1 1 A 66 66 ARG CB C 66 32.088 33.528 -1.440 1 1 758 . 15 1 1 A 66 66 ARG N N 66 122.633 122.483 0.150 1 1 759 . 15 1 1 A 67 67 ILE H H 67 8.967 8.636 0.331 1 1 760 . 15 1 1 A 67 67 ILE HA H 67 4.013 4.436 -0.423 1 1 770 . 15 1 1 A 67 67 ILE C C 67 174.026 174.875 -0.849 1 1 771 . 15 1 1 A 67 67 ILE CA C 67 60.377 59.770 0.607 1 1 772 . 15 1 1 A 67 67 ILE CB C 67 38.044 38.093 -0.049 1 1 776 . 15 1 1 A 67 67 ILE N N 67 128.560 128.068 0.492 1 1 777 . 15 1 1 A 68 68 ASP H H 68 8.117 8.658 -0.541 1 1 778 . 15 1 1 A 68 68 ASP HA H 68 5.060 5.051 0.009 1 1 781 . 15 1 1 A 68 68 ASP C C 68 175.792 176.340 -0.548 1 1 782 . 15 1 1 A 68 68 ASP CA C 68 52.474 52.580 -0.106 1 1 783 . 15 1 1 A 68 68 ASP CB C 68 44.116 43.749 0.367 1 1 784 . 15 1 1 A 68 68 ASP N N 68 125.243 125.936 -0.693 1 1 785 . 15 1 1 A 69 69 GLY H H 69 8.568 8.979 -0.411 1 1 786 . 15 1 1 A 69 69 GLY HA2 H 69 3.951 3.971 -0.020 1 1 787 . 15 1 1 A 69 69 GLY HA3 H 69 3.830 3.974 -0.144 1 1 788 . 15 1 1 A 69 69 GLY C C 69 175.359 173.925 1.434 1 1 789 . 15 1 1 A 69 69 GLY CA C 69 46.356 45.504 0.852 1 1 790 . 15 1 1 A 69 69 GLY N N 69 105.736 111.053 -5.317 1 1 791 . 15 1 1 A 70 70 LEU H H 70 7.982 7.706 0.276 1 1 792 . 15 1 1 A 70 70 LEU HA H 70 4.356 4.806 -0.450 1 1 802 . 15 1 1 A 70 70 LEU C C 70 175.151 175.757 -0.606 1 1 803 . 15 1 1 A 70 70 LEU CA C 70 53.110 53.031 0.079 1 1 804 . 15 1 1 A 70 70 LEU CB C 70 40.992 44.109 -3.117 1 1 808 . 15 1 1 A 70 70 LEU N N 70 118.817 120.072 -1.255 1 1 809 . 15 1 1 A 71 71 ARG H H 71 8.148 8.473 -0.325 1 1 810 . 15 1 1 A 71 71 ARG HA H 71 4.922 4.818 0.104 1 1 817 . 15 1 1 A 71 71 ARG C C 71 174.419 173.729 0.690 1 1 818 . 15 1 1 A 71 71 ARG CA C 71 53.534 52.773 0.761 1 1 819 . 15 1 1 A 71 71 ARG CB C 71 32.001 31.601 0.400 1 1 822 . 15 1 1 A 71 71 ARG N N 71 118.182 119.373 -1.191 1 1 823 . 15 1 1 A 72 72 PRO HA H 72 5.168 4.675 0.493 1 1 830 . 15 1 1 A 72 72 PRO C C 72 178.121 177.653 0.468 1 1 831 . 15 1 1 A 72 72 PRO CA C 72 63.416 63.775 -0.359 1 1 832 . 15 1 1 A 72 72 PRO CB C 72 32.908 31.257 1.651 1 1 835 . 15 1 1 A 73 73 GLY H H 73 7.705 8.897 -1.192 1 1 836 . 15 1 1 A 73 73 GLY HA2 H 73 3.856 3.977 -0.121 1 1 837 . 15 1 1 A 73 73 GLY HA3 H 73 3.508 3.983 -0.475 1 1 838 . 15 1 1 A 73 73 GLY C C 73 173.685 173.748 -0.063 1 1 839 . 15 1 1 A 73 73 GLY CA C 73 46.731 46.480 0.251 1 1 840 . 15 1 1 A 73 73 GLY N N 73 112.669 112.444 0.225 1 1 841 . 15 1 1 A 74 74 MET H H 74 7.511 7.303 0.208 1 1 842 . 15 1 1 A 74 74 MET HA H 74 4.742 4.968 -0.226 1 1 850 . 15 1 1 A 74 74 MET C C 74 173.525 174.330 -0.805 1 1 851 . 15 1 1 A 74 74 MET CA C 74 53.216 54.555 -1.339 1 1 852 . 15 1 1 A 74 74 MET CB C 74 33.610 35.778 -2.168 1 1 855 . 15 1 1 A 74 74 MET N N 74 119.820 119.009 0.811 1 1 856 . 15 1 1 A 75 75 VAL H H 75 7.651 8.553 -0.902 1 1 857 . 15 1 1 A 75 75 VAL HA H 75 4.361 4.598 -0.237 1 1 865 . 15 1 1 A 75 75 VAL C C 75 174.677 174.886 -0.209 1 1 866 . 15 1 1 A 75 75 VAL CA C 75 61.581 61.545 0.036 1 1 867 . 15 1 1 A 75 75 VAL CB C 75 32.345 32.092 0.253 1 1 870 . 15 1 1 A 75 75 VAL N N 75 121.287 125.785 -4.498 1 1 871 . 15 1 1 A 76 76 TYR H H 76 9.405 9.093 0.312 1 1 872 . 15 1 1 A 76 76 TYR HA H 76 4.743 5.030 -0.287 1 1 879 . 15 1 1 A 76 76 TYR C C 76 174.740 174.637 0.103 1 1 880 . 15 1 1 A 76 76 TYR CA C 76 57.424 56.178 1.246 1 1 881 . 15 1 1 A 76 76 TYR CB C 76 41.151 42.343 -1.192 1 1 886 . 15 1 1 A 76 76 TYR N N 76 126.231 126.275 -0.044 1 1 887 . 15 1 1 A 77 77 VAL H H 77 8.867 8.493 0.374 1 1 888 . 15 1 1 A 77 77 VAL HA H 77 4.318 4.530 -0.212 1 1 896 . 15 1 1 A 77 77 VAL C C 77 175.773 175.006 0.767 1 1 897 . 15 1 1 A 77 77 VAL CA C 77 61.473 61.680 -0.207 1 1 898 . 15 1 1 A 77 77 VAL CB C 77 31.218 30.878 0.340 1 1 901 . 15 1 1 A 77 77 VAL N N 77 123.699 123.459 0.240 1 1 902 . 15 1 1 A 78 78 VAL H H 78 8.683 9.044 -0.361 1 1 903 . 15 1 1 A 78 78 VAL HA H 78 4.995 4.908 0.087 1 1 911 . 15 1 1 A 78 78 VAL C C 78 175.275 175.163 0.112 1 1 912 . 15 1 1 A 78 78 VAL CA C 78 60.942 61.181 -0.239 1 1 913 . 15 1 1 A 78 78 VAL CB C 78 34.790 33.136 1.654 1 1 916 . 15 1 1 A 78 78 VAL N N 78 124.155 128.604 -4.449 1 1 917 . 15 1 1 A 79 79 GLN H H 79 8.613 8.597 0.016 1 1 918 . 15 1 1 A 79 79 GLN HA H 79 4.511 4.865 -0.354 1 1 925 . 15 1 1 A 79 79 GLN C C 79 173.361 174.019 -0.658 1 1 926 . 15 1 1 A 79 79 GLN CA C 79 54.666 53.832 0.834 1 1 927 . 15 1 1 A 79 79 GLN CB C 79 36.751 32.733 4.018 1 1 929 . 15 1 1 A 79 79 GLN N N 79 121.693 125.080 -3.387 1 1 931 . 15 1 1 A 80 80 VAL H H 80 9.019 8.661 0.358 1 1 932 . 15 1 1 A 80 80 VAL HA H 80 5.801 5.041 0.760 1 1 940 . 15 1 1 A 80 80 VAL C C 80 174.526 173.846 0.680 1 1 941 . 15 1 1 A 80 80 VAL CA C 80 58.750 59.553 -0.803 1 1 942 . 15 1 1 A 80 80 VAL CB C 80 35.479 34.922 0.557 1 1 945 . 15 1 1 A 80 80 VAL N N 80 118.559 119.868 -1.309 1 1 946 . 15 1 1 A 81 81 ARG H H 81 9.199 8.764 0.435 1 1 947 . 15 1 1 A 81 81 ARG HA H 81 4.951 5.032 -0.081 1 1 955 . 15 1 1 A 81 81 ARG C C 81 172.660 174.295 -1.635 1 1 956 . 15 1 1 A 81 81 ARG CA C 81 54.295 53.848 0.447 1 1 957 . 15 1 1 A 81 81 ARG CB C 81 33.750 33.677 0.073 1 1 960 . 15 1 1 A 81 81 ARG N N 81 125.225 125.919 -0.694 1 1 962 . 15 1 1 A 82 82 ALA H H 82 8.762 8.728 0.034 1 1 963 . 15 1 1 A 82 82 ALA HA H 82 4.820 5.233 -0.413 1 1 967 . 15 1 1 A 82 82 ALA C C 82 174.783 175.403 -0.620 1 1 968 . 15 1 1 A 82 82 ALA CA C 82 50.741 50.163 0.578 1 1 969 . 15 1 1 A 82 82 ALA CB C 82 22.383 21.081 1.302 1 1 970 . 15 1 1 A 82 82 ALA N N 82 124.292 122.737 1.555 1 1 971 . 15 1 1 A 83 83 ARG H H 83 8.336 8.406 -0.070 1 1 972 . 15 1 1 A 83 83 ARG HA H 83 4.737 4.781 -0.044 1 1 980 . 15 1 1 A 83 83 ARG C C 83 175.290 174.641 0.649 1 1 981 . 15 1 1 A 83 83 ARG CA C 83 55.727 54.328 1.399 1 1 982 . 15 1 1 A 83 83 ARG CB C 83 34.562 32.620 1.942 1 1 985 . 15 1 1 A 83 83 ARG N N 83 121.023 123.098 -2.075 1 1 987 . 15 1 1 A 84 84 THR H H 84 8.485 8.649 -0.164 1 1 988 . 15 1 1 A 84 84 THR HA H 84 4.875 4.904 -0.029 1 1 993 . 15 1 1 A 84 84 THR C C 84 176.218 175.451 0.767 1 1 994 . 15 1 1 A 84 84 THR CA C 84 59.475 59.271 0.204 1 1 995 . 15 1 1 A 84 84 THR CB C 84 72.440 71.745 0.695 1 1 997 . 15 1 1 A 84 84 THR N N 84 116.374 117.528 -1.154 1 1 998 . 15 1 1 A 85 85 VAL H H 85 9.283 8.772 0.511 1 1 999 . 15 1 1 A 85 85 VAL HA H 85 3.794 3.837 -0.043 1 1 1007 . 15 1 1 A 85 85 VAL C C 85 175.930 177.399 -1.469 1 1 1008 . 15 1 1 A 85 85 VAL CA C 85 64.934 65.000 -0.066 1 1 1009 . 15 1 1 A 85 85 VAL CB C 85 31.621 31.734 -0.113 1 1 1012 . 15 1 1 A 85 85 VAL N N 85 119.099 122.315 -3.216 1 1 1013 . 15 1 1 A 86 86 ALA H H 86 7.840 7.828 0.012 1 1 1014 . 15 1 1 A 86 86 ALA HA H 86 4.242 4.102 0.140 1 1 1018 . 15 1 1 A 86 86 ALA C C 86 177.467 177.681 -0.214 1 1 1019 . 15 1 1 A 86 86 ALA CA C 86 52.774 54.417 -1.643 1 1 1020 . 15 1 1 A 86 86 ALA CB C 86 19.733 20.022 -0.289 1 1 1021 . 15 1 1 A 86 86 ALA N N 86 121.263 123.584 -2.321 1 1 1022 . 15 1 1 A 87 87 GLY H H 87 7.365 7.056 0.309 1 1 1023 . 15 1 1 A 87 87 GLY HA2 H 87 4.402 4.126 0.276 1 1 1024 . 15 1 1 A 87 87 GLY HA3 H 87 3.588 4.144 -0.556 1 1 1025 . 15 1 1 A 87 87 GLY C C 87 171.960 171.134 0.826 1 1 1026 . 15 1 1 A 87 87 GLY CA C 87 44.170 46.206 -2.036 1 1 1027 . 15 1 1 A 87 87 GLY N N 87 105.736 102.184 3.552 1 1 1028 . 15 1 1 A 88 88 TYR H H 88 8.444 8.588 -0.144 1 1 1029 . 15 1 1 A 88 88 TYR HA H 88 5.063 5.153 -0.090 1 1 1036 . 15 1 1 A 88 88 TYR C C 88 179.239 175.289 3.950 1 1 1037 . 15 1 1 A 88 88 TYR CA C 88 58.308 55.565 2.743 1 1 1038 . 15 1 1 A 88 88 TYR CB C 88 41.442 41.101 0.341 1 1 1043 . 15 1 1 A 88 88 TYR N N 88 116.996 120.511 -3.515 1 1 1044 . 15 1 1 A 89 89 GLY H H 89 8.676 8.623 0.053 1 1 1045 . 15 1 1 A 89 89 GLY HA2 H 89 4.324 4.213 0.111 1 1 1046 . 15 1 1 A 89 89 GLY HA3 H 89 3.973 4.233 -0.260 1 1 1047 . 15 1 1 A 89 89 GLY C C 89 173.844 172.865 0.979 1 1 1048 . 15 1 1 A 89 89 GLY CA C 89 43.916 44.215 -0.299 1 1 1049 . 15 1 1 A 89 89 GLY N N 89 107.850 110.456 -2.606 1 1 1050 . 15 1 1 A 90 90 LYS H H 90 8.711 8.301 0.410 1 1 1051 . 15 1 1 A 90 90 LYS HA H 90 4.166 4.193 -0.027 1 1 1060 . 15 1 1 A 90 90 LYS C C 90 177.819 176.339 1.480 1 1 1061 . 15 1 1 A 90 90 LYS CA C 90 56.162 56.141 0.021 1 1 1062 . 15 1 1 A 90 90 LYS CB C 90 32.730 33.499 -0.769 1 1 1066 . 15 1 1 A 90 90 LYS N N 90 119.382 119.763 -0.381 1 1 1067 . 15 1 1 A 91 91 PHE H H 91 8.698 8.801 -0.103 1 1 1068 . 15 1 1 A 91 91 PHE HA H 91 4.241 5.000 -0.759 1 1 1076 . 15 1 1 A 91 91 PHE C C 91 176.805 175.816 0.989 1 1 1077 . 15 1 1 A 91 91 PHE CA C 91 61.027 57.559 3.468 1 1 1078 . 15 1 1 A 91 91 PHE CB C 91 39.995 40.879 -0.884 1 1 1084 . 15 1 1 A 91 91 PHE N N 91 120.691 120.201 0.490 1 1 1085 . 15 1 1 A 92 92 SER H H 92 8.311 8.909 -0.598 1 1 1086 . 15 1 1 A 92 92 SER HA H 92 4.259 4.752 -0.493 1 1 1089 . 15 1 1 A 92 92 SER C C 92 173.499 174.848 -1.349 1 1 1090 . 15 1 1 A 92 92 SER CA C 92 58.146 57.250 0.896 1 1 1091 . 15 1 1 A 92 92 SER CB C 92 65.329 64.913 0.416 1 1 1092 . 15 1 1 A 92 92 SER N N 92 115.098 115.852 -0.754 1 1 1093 . 15 1 1 A 93 93 GLY H H 93 8.869 8.606 0.263 1 1 1094 . 15 1 1 A 93 93 GLY HA2 H 93 4.071 3.890 0.181 1 1 1095 . 15 1 1 A 93 93 GLY HA3 H 93 3.780 3.898 -0.118 1 1 1096 . 15 1 1 A 93 93 GLY C C 93 174.375 174.272 0.103 1 1 1097 . 15 1 1 A 93 93 GLY CA C 93 45.331 46.586 -1.255 1 1 1098 . 15 1 1 A 93 93 GLY N N 93 106.252 108.905 -2.653 1 1 1099 . 15 1 1 A 94 94 LYS H H 94 8.619 8.292 0.327 1 1 1100 . 15 1 1 A 94 94 LYS HA H 94 3.633 4.097 -0.464 1 1 1109 . 15 1 1 A 94 94 LYS C C 94 176.004 175.416 0.588 1 1 1110 . 15 1 1 A 94 94 LYS CA C 94 59.068 56.514 2.554 1 1 1111 . 15 1 1 A 94 94 LYS CB C 94 33.072 32.704 0.368 1 1 1115 . 15 1 1 A 94 94 LYS N N 94 122.645 123.450 -0.805 1 1 1116 . 15 1 1 A 95 95 MET H H 95 7.547 8.124 -0.577 1 1 1117 . 15 1 1 A 95 95 MET HA H 95 4.520 5.053 -0.533 1 1 1125 . 15 1 1 A 95 95 MET C C 95 173.400 173.910 -0.510 1 1 1126 . 15 1 1 A 95 95 MET CA C 95 54.701 53.796 0.905 1 1 1127 . 15 1 1 A 95 95 MET CB C 95 37.784 35.816 1.968 1 1 1130 . 15 1 1 A 95 95 MET N N 95 122.392 120.701 1.691 1 1 1131 . 15 1 1 A 96 96 CYS H H 96 7.888 8.514 -0.626 1 1 1132 . 15 1 1 A 96 96 CYS HA H 96 5.465 5.114 0.351 1 1 1135 . 15 1 1 A 96 96 CYS C C 96 173.757 172.784 0.973 1 1 1136 . 15 1 1 A 96 96 CYS CA C 96 57.353 57.055 0.298 1 1 1137 . 15 1 1 A 96 96 CYS CB C 96 29.941 28.893 1.048 1 1 1138 . 15 1 1 A 96 96 CYS N N 96 117.124 120.608 -3.484 1 1 1139 . 15 1 1 A 97 97 PHE H H 97 9.133 8.942 0.191 1 1 1140 . 15 1 1 A 97 97 PHE HA H 97 4.879 5.201 -0.322 1 1 1148 . 15 1 1 A 97 97 PHE C C 97 173.309 175.444 -2.135 1 1 1149 . 15 1 1 A 97 97 PHE CA C 97 56.983 56.508 0.475 1 1 1150 . 15 1 1 A 97 97 PHE CB C 97 44.074 41.187 2.887 1 1 1156 . 15 1 1 A 97 97 PHE N N 97 121.239 124.595 -3.356 1 1 1157 . 15 1 1 A 98 98 GLN H H 98 8.884 8.846 0.038 1 1 1158 . 15 1 1 A 98 98 GLN HA H 98 5.809 5.434 0.375 1 1 1165 . 15 1 1 A 98 98 GLN C C 98 176.454 175.913 0.541 1 1 1166 . 15 1 1 A 98 98 GLN CA C 98 54.125 54.649 -0.524 1 1 1167 . 15 1 1 A 98 98 GLN CB C 98 33.444 30.488 2.956 1 1 1169 . 15 1 1 A 98 98 GLN N N 98 120.699 121.591 -0.892 1 1 1171 . 15 1 1 A 99 99 THR H H 99 8.176 8.117 0.059 1 1 1172 . 15 1 1 A 99 99 THR HA H 99 4.324 4.683 -0.359 1 1 1177 . 15 1 1 A 99 99 THR C C 99 175.929 174.426 1.503 1 1 1178 . 15 1 1 A 99 99 THR CA C 99 60.341 60.779 -0.438 1 1 1179 . 15 1 1 A 99 99 THR CB C 99 70.070 71.683 -1.613 1 1 1181 . 15 1 1 A 99 99 THR N N 99 112.214 112.687 -0.473 1 1 1182 . 15 1 1 A 100 100 LEU H H 100 7.368 8.401 -1.033 1 1 1183 . 15 1 1 A 100 100 LEU HA H 100 4.310 4.318 -0.008 1 1 1193 . 15 1 1 A 100 100 LEU C C 100 177.359 176.518 0.841 1 1 1194 . 15 1 1 A 100 100 LEU CA C 100 54.790 55.292 -0.502 1 1 1195 . 15 1 1 A 100 100 LEU CB C 100 42.096 42.036 0.060 1 1 1199 . 15 1 1 A 100 100 LEU N N 100 117.018 122.571 -5.553 1 1 1200 . 15 1 1 A 101 101 THR H H 101 7.997 8.485 -0.488 1 1 1201 . 15 1 1 A 101 101 THR HA H 101 4.123 5.086 -0.963 1 1 1206 . 15 1 1 A 101 101 THR C C 101 174.014 172.559 1.455 1 1 1207 . 15 1 1 A 101 101 THR CA C 101 61.968 60.735 1.233 1 1 1208 . 15 1 1 A 101 101 THR CB C 101 70.172 70.160 0.012 1 1 1210 . 15 1 1 A 101 101 THR N N 101 110.428 117.912 -7.484 1 1 1211 . 15 1 1 A 102 102 ASP H H 102 8.320 9.049 -0.729 1 1 1212 . 15 1 1 A 102 102 ASP HA H 102 4.853 4.781 0.072 1 1 1215 . 15 1 1 A 102 102 ASP C C 102 176.204 174.910 1.294 1 1 1216 . 15 1 1 A 102 102 ASP CA C 102 53.694 53.559 0.135 1 1 1217 . 15 1 1 A 102 102 ASP CB C 102 41.808 40.337 1.471 1 1 1218 . 15 1 1 A 102 102 ASP N N 102 120.693 128.633 -7.940 1 1 1219 . 15 1 1 A 103 103 SER H H 103 8.294 7.976 0.318 1 1 1220 . 15 1 1 A 103 103 SER HA H 103 4.486 4.890 -0.404 1 1 1223 . 15 1 1 A 103 103 SER C C 103 174.875 172.795 2.080 1 1 1224 . 15 1 1 A 103 103 SER CA C 103 58.361 57.381 0.980 1 1 1225 . 15 1 1 A 103 103 SER CB C 103 63.942 66.114 -2.172 1 1 1226 . 15 1 1 A 103 103 SER N N 103 117.442 118.683 -1.241 1 1 1227 . 15 1 1 A 104 104 GLY H H 104 8.393 8.796 -0.403 1 1 1228 . 15 1 1 A 104 104 GLY HA2 H 104 4.104 4.021 0.083 1 1 1229 . 15 1 1 A 104 104 GLY HA3 H 104 4.104 4.021 0.083 1 1 1230 . 15 1 1 A 104 104 GLY C C 104 172.016 173.422 -1.406 1 1 1231 . 15 1 1 A 104 104 GLY CA C 104 44.800 45.269 -0.469 1 1 1232 . 15 1 1 A 104 104 GLY N N 104 111.065 108.010 3.055 1 1 1233 . 15 1 1 A 105 105 PRO HA H 105 4.475 4.460 0.015 1 1 1240 . 15 1 1 A 105 105 PRO C C 105 177.464 176.701 0.763 1 1 1241 . 15 1 1 A 105 105 PRO CA C 105 63.329 62.892 0.437 1 1 1242 . 15 1 1 A 105 105 PRO CB C 105 32.249 32.299 -0.050 1 1 1245 . 15 1 1 A 106 106 SER H H 106 8.514 8.359 0.155 1 1 1246 . 15 1 1 A 106 106 SER HA H 106 4.512 4.615 -0.103 1 1 1249 . 15 1 1 A 106 106 SER C C 106 174.735 174.532 0.203 1 1 1250 . 15 1 1 A 106 106 SER CA C 106 58.361 57.267 1.094 1 1 1251 . 15 1 1 A 106 106 SER CB C 106 63.820 64.209 -0.389 1 1 1252 . 15 1 1 A 106 106 SER N N 106 116.429 115.330 1.099 1 1 1253 . 15 1 1 A 107 107 SER H H 107 8.329 8.468 -0.139 1 1 1254 . 15 1 1 A 107 107 SER HA H 107 4.512 4.514 -0.002 1 1 1257 . 15 1 1 A 107 107 SER C C 107 174.004 174.474 -0.470 1 1 1258 . 15 1 1 A 107 107 SER CA C 107 58.414 59.325 -0.911 1 1 1259 . 15 1 1 A 107 107 SER CB C 107 64.014 64.041 -0.027 1 1 1260 . 15 1 1 A 107 107 SER N N 107 117.919 121.491 -3.572 1 1 1 . 16 1 1 A 6 6 SER HA H 6 4.523 4.772 -0.249 1 1 3 . 16 1 1 A 6 6 SER CA C 6 58.535 58.503 0.032 1 1 4 . 16 1 1 A 6 6 SER CB C 6 64.106 63.804 0.302 1 1 5 . 16 1 1 A 7 7 GLY H H 7 8.202 8.874 -0.672 1 1 6 . 16 1 1 A 7 7 GLY HA2 H 7 3.881 4.115 -0.234 1 1 7 . 16 1 1 A 7 7 GLY HA3 H 7 3.740 4.116 -0.376 1 1 8 . 16 1 1 A 7 7 GLY CA C 7 44.322 44.094 0.228 1 1 9 . 16 1 1 A 7 7 GLY N N 7 109.573 113.307 -3.734 1 1 10 . 16 1 1 A 8 8 PRO HA H 8 4.641 4.532 0.109 1 1 17 . 16 1 1 A 8 8 PRO C C 8 176.480 176.625 -0.145 1 1 18 . 16 1 1 A 8 8 PRO CA C 8 62.582 62.533 0.049 1 1 19 . 16 1 1 A 8 8 PRO CB C 8 32.331 32.287 0.044 1 1 22 . 16 1 1 A 9 9 SER H H 9 8.061 8.303 -0.242 1 1 23 . 16 1 1 A 9 9 SER HA H 9 4.374 4.535 -0.161 1 1 26 . 16 1 1 A 9 9 SER C C 9 173.090 173.681 -0.591 1 1 27 . 16 1 1 A 9 9 SER CA C 9 58.754 58.038 0.716 1 1 28 . 16 1 1 A 9 9 SER CB C 9 63.667 64.662 -0.995 1 1 29 . 16 1 1 A 9 9 SER N N 9 115.137 114.533 0.604 1 1 30 . 16 1 1 A 10 10 THR H H 10 8.359 8.483 -0.124 1 1 31 . 16 1 1 A 10 10 THR HA H 10 4.027 4.840 -0.813 1 1 36 . 16 1 1 A 10 10 THR C C 10 175.380 173.033 2.347 1 1 37 . 16 1 1 A 10 10 THR CA C 10 62.781 60.876 1.905 1 1 38 . 16 1 1 A 10 10 THR CB C 10 69.617 71.754 -2.137 1 1 40 . 16 1 1 A 10 10 THR N N 10 115.079 114.855 0.224 1 1 41 . 16 1 1 A 11 11 VAL H H 11 9.280 8.605 0.675 1 1 42 . 16 1 1 A 11 11 VAL HA H 11 4.097 4.157 -0.060 1 1 50 . 16 1 1 A 11 11 VAL C C 11 175.706 176.344 -0.638 1 1 51 . 16 1 1 A 11 11 VAL CA C 11 61.518 61.651 -0.133 1 1 52 . 16 1 1 A 11 11 VAL CB C 11 33.174 32.109 1.065 1 1 55 . 16 1 1 A 11 11 VAL N N 11 131.182 127.339 3.843 1 1 56 . 16 1 1 A 12 12 PRO HA H 12 4.415 4.492 -0.077 1 1 63 . 16 1 1 A 12 12 PRO C C 12 175.612 176.381 -0.769 1 1 64 . 16 1 1 A 12 12 PRO CA C 12 64.850 64.884 -0.034 1 1 65 . 16 1 1 A 12 12 PRO CB C 12 32.578 32.244 0.334 1 1 68 . 16 1 1 A 13 13 ILE H H 13 7.251 7.580 -0.329 1 1 69 . 16 1 1 A 13 13 ILE HA H 13 4.439 4.646 -0.207 1 1 79 . 16 1 1 A 13 13 ILE C C 13 170.969 173.340 -2.371 1 1 80 . 16 1 1 A 13 13 ILE CA C 13 59.973 59.364 0.609 1 1 81 . 16 1 1 A 13 13 ILE CB C 13 40.776 41.569 -0.793 1 1 85 . 16 1 1 A 13 13 ILE N N 13 115.827 116.031 -0.204 1 1 86 . 16 1 1 A 14 14 MET H H 14 6.827 8.634 -1.807 1 1 87 . 16 1 1 A 14 14 MET HA H 14 4.961 5.560 -0.599 1 1 95 . 16 1 1 A 14 14 MET C C 14 173.380 174.962 -1.582 1 1 96 . 16 1 1 A 14 14 MET CA C 14 55.214 54.305 0.909 1 1 97 . 16 1 1 A 14 14 MET CB C 14 38.223 36.042 2.181 1 1 100 . 16 1 1 A 14 14 MET N N 14 116.754 125.327 -8.573 1 1 101 . 16 1 1 A 15 15 HIS H H 15 9.417 9.398 0.019 1 1 102 . 16 1 1 A 15 15 HIS HA H 15 4.958 5.085 -0.127 1 1 107 . 16 1 1 A 15 15 HIS C C 15 173.901 173.687 0.214 1 1 108 . 16 1 1 A 15 15 HIS CA C 15 55.190 54.621 0.569 1 1 109 . 16 1 1 A 15 15 HIS CB C 15 33.361 33.242 0.119 1 1 112 . 16 1 1 A 15 15 HIS N N 15 118.539 117.324 1.215 1 1 113 . 16 1 1 A 16 16 GLN H H 16 9.164 8.893 0.271 1 1 114 . 16 1 1 A 16 16 GLN HA H 16 4.385 4.454 -0.069 1 1 121 . 16 1 1 A 16 16 GLN C C 16 175.463 175.321 0.142 1 1 122 . 16 1 1 A 16 16 GLN CA C 16 55.992 55.899 0.093 1 1 123 . 16 1 1 A 16 16 GLN CB C 16 29.159 30.103 -0.944 1 1 125 . 16 1 1 A 16 16 GLN N N 16 123.267 124.807 -1.540 1 1 127 . 16 1 1 A 17 17 VAL H H 17 8.983 8.480 0.503 1 1 128 . 16 1 1 A 17 17 VAL HA H 17 3.910 4.174 -0.264 1 1 136 . 16 1 1 A 17 17 VAL C C 17 176.328 175.763 0.565 1 1 137 . 16 1 1 A 17 17 VAL CA C 17 63.807 63.256 0.551 1 1 138 . 16 1 1 A 17 17 VAL CB C 17 33.088 33.127 -0.039 1 1 141 . 16 1 1 A 17 17 VAL N N 17 128.880 127.088 1.792 1 1 142 . 16 1 1 A 18 18 SER H H 18 7.740 7.625 0.115 1 1 143 . 16 1 1 A 18 18 SER HA H 18 4.589 4.806 -0.217 1 1 146 . 16 1 1 A 18 18 SER C C 18 171.965 172.174 -0.209 1 1 147 . 16 1 1 A 18 18 SER CA C 18 57.441 57.775 -0.334 1 1 148 . 16 1 1 A 18 18 SER CB C 18 64.058 66.865 -2.807 1 1 149 . 16 1 1 A 18 18 SER N N 18 110.447 113.616 -3.169 1 1 150 . 16 1 1 A 19 19 ALA H H 19 8.114 8.432 -0.318 1 1 151 . 16 1 1 A 19 19 ALA HA H 19 5.086 4.816 0.270 1 1 155 . 16 1 1 A 19 19 ALA C C 19 176.404 176.036 0.368 1 1 156 . 16 1 1 A 19 19 ALA CA C 19 52.453 51.573 0.880 1 1 157 . 16 1 1 A 19 19 ALA CB C 19 23.038 23.103 -0.065 1 1 158 . 16 1 1 A 19 19 ALA N N 19 121.116 122.969 -1.853 1 1 159 . 16 1 1 A 20 20 THR H H 20 8.710 8.117 0.593 1 1 160 . 16 1 1 A 20 20 THR HA H 20 4.787 4.904 -0.117 1 1 165 . 16 1 1 A 20 20 THR C C 20 175.596 175.286 0.310 1 1 166 . 16 1 1 A 20 20 THR CA C 20 60.341 59.867 0.474 1 1 167 . 16 1 1 A 20 20 THR CB C 20 71.307 71.235 0.072 1 1 169 . 16 1 1 A 20 20 THR N N 20 110.762 110.891 -0.129 1 1 170 . 16 1 1 A 21 21 MET H H 21 8.686 8.716 -0.030 1 1 171 . 16 1 1 A 21 21 MET HA H 21 4.618 4.280 0.338 1 1 179 . 16 1 1 A 21 21 MET C C 21 174.754 176.572 -1.818 1 1 180 . 16 1 1 A 21 21 MET CA C 21 59.272 57.674 1.598 1 1 181 . 16 1 1 A 21 21 MET CB C 21 34.488 32.919 1.569 1 1 184 . 16 1 1 A 21 21 MET N N 21 118.478 120.147 -1.669 1 1 185 . 16 1 1 A 22 22 ARG H H 22 7.296 7.727 -0.431 1 1 186 . 16 1 1 A 22 22 ARG HA H 22 4.453 4.487 -0.034 1 1 193 . 16 1 1 A 22 22 ARG C C 22 174.722 174.568 0.154 1 1 194 . 16 1 1 A 22 22 ARG CA C 22 54.218 55.173 -0.955 1 1 195 . 16 1 1 A 22 22 ARG CB C 22 32.509 30.834 1.675 1 1 198 . 16 1 1 A 22 22 ARG N N 22 108.176 117.016 -8.840 1 1 199 . 16 1 1 A 23 23 SER H H 23 7.387 7.690 -0.303 1 1 200 . 16 1 1 A 23 23 SER HA H 23 5.353 5.102 0.251 1 1 203 . 16 1 1 A 23 23 SER C C 23 171.910 172.368 -0.458 1 1 204 . 16 1 1 A 23 23 SER CA C 23 57.230 57.538 -0.308 1 1 205 . 16 1 1 A 23 23 SER CB C 23 68.011 67.239 0.772 1 1 206 . 16 1 1 A 23 23 SER N N 23 114.861 114.157 0.704 1 1 207 . 16 1 1 A 24 24 ILE H H 24 8.061 8.585 -0.524 1 1 208 . 16 1 1 A 24 24 ILE HA H 24 4.470 4.623 -0.153 1 1 218 . 16 1 1 A 24 24 ILE C C 24 174.028 174.347 -0.319 1 1 219 . 16 1 1 A 24 24 ILE CA C 24 61.402 60.350 1.052 1 1 220 . 16 1 1 A 24 24 ILE CB C 24 43.249 40.895 2.354 1 1 224 . 16 1 1 A 24 24 ILE N N 24 116.152 121.871 -5.719 1 1 225 . 16 1 1 A 25 25 THR H H 25 8.584 9.113 -0.529 1 1 226 . 16 1 1 A 25 25 THR HA H 25 5.107 4.845 0.262 1 1 231 . 16 1 1 A 25 25 THR C C 25 173.463 173.661 -0.198 1 1 232 . 16 1 1 A 25 25 THR CA C 25 62.127 62.028 0.099 1 1 233 . 16 1 1 A 25 25 THR CB C 25 68.954 69.938 -0.984 1 1 235 . 16 1 1 A 25 25 THR N N 25 122.080 122.684 -0.604 1 1 236 . 16 1 1 A 26 26 LEU H H 26 9.093 8.516 0.577 1 1 237 . 16 1 1 A 26 26 LEU HA H 26 5.427 5.121 0.306 1 1 247 . 16 1 1 A 26 26 LEU C C 26 175.180 175.554 -0.374 1 1 248 . 16 1 1 A 26 26 LEU CA C 26 53.181 53.357 -0.176 1 1 249 . 16 1 1 A 26 26 LEU CB C 26 46.902 46.818 0.084 1 1 253 . 16 1 1 A 26 26 LEU N N 26 128.231 126.592 1.639 1 1 254 . 16 1 1 A 27 27 SER H H 27 9.260 9.144 0.116 1 1 255 . 16 1 1 A 27 27 SER HA H 27 4.757 4.870 -0.113 1 1 258 . 16 1 1 A 27 27 SER C C 27 172.413 172.537 -0.124 1 1 259 . 16 1 1 A 27 27 SER CA C 27 56.912 56.960 -0.048 1 1 260 . 16 1 1 A 27 27 SER CB C 27 66.220 64.896 1.324 1 1 261 . 16 1 1 A 27 27 SER N N 27 115.325 114.843 0.482 1 1 262 . 16 1 1 A 28 28 TRP H H 28 7.430 7.941 -0.511 1 1 263 . 16 1 1 A 28 28 TRP HA H 28 5.212 5.322 -0.110 1 1 272 . 16 1 1 A 28 28 TRP C C 28 171.555 173.180 -1.625 1 1 273 . 16 1 1 A 28 28 TRP CA C 28 55.143 54.988 0.155 1 1 274 . 16 1 1 A 28 28 TRP CB C 28 28.918 30.338 -1.420 1 1 280 . 16 1 1 A 28 28 TRP N N 28 119.703 121.007 -1.304 1 1 282 . 16 1 1 A 29 29 PRO HA H 29 4.543 4.568 -0.025 1 1 289 . 16 1 1 A 29 29 PRO C C 29 175.962 175.903 0.059 1 1 290 . 16 1 1 A 29 29 PRO CA C 29 61.702 62.378 -0.676 1 1 291 . 16 1 1 A 29 29 PRO CB C 29 32.041 32.912 -0.871 1 1 294 . 16 1 1 A 30 30 GLN H H 30 8.248 8.505 -0.257 1 1 295 . 16 1 1 A 30 30 GLN HA H 30 4.654 4.778 -0.124 1 1 302 . 16 1 1 A 30 30 GLN C C 30 174.856 174.778 0.078 1 1 303 . 16 1 1 A 30 30 GLN CA C 30 54.524 53.479 1.045 1 1 304 . 16 1 1 A 30 30 GLN CB C 30 28.623 30.621 -1.998 1 1 306 . 16 1 1 A 30 30 GLN N N 30 117.321 120.736 -3.415 1 1 308 . 16 1 1 A 31 31 PRO HA H 31 4.116 4.852 -0.736 1 1 315 . 16 1 1 A 31 31 PRO C C 31 175.787 176.924 -1.137 1 1 316 . 16 1 1 A 31 31 PRO CA C 31 63.364 63.047 0.317 1 1 317 . 16 1 1 A 31 31 PRO CB C 31 32.503 33.434 -0.931 1 1 320 . 16 1 1 A 32 32 GLU H H 32 8.367 9.071 -0.704 1 1 321 . 16 1 1 A 32 32 GLU HA H 32 4.004 4.585 -0.581 1 1 326 . 16 1 1 A 32 32 GLU C C 32 176.748 176.778 -0.030 1 1 327 . 16 1 1 A 32 32 GLU CA C 32 58.644 56.628 2.016 1 1 328 . 16 1 1 A 32 32 GLU CB C 32 30.271 31.235 -0.964 1 1 330 . 16 1 1 A 32 32 GLU N N 32 122.959 119.477 3.482 1 1 331 . 16 1 1 A 33 33 GLN H H 33 8.220 7.738 0.482 1 1 332 . 16 1 1 A 33 33 GLN HA H 33 4.820 4.845 -0.025 1 1 339 . 16 1 1 A 33 33 GLN C C 33 172.938 174.361 -1.423 1 1 340 . 16 1 1 A 33 33 GLN CA C 33 52.544 53.543 -0.999 1 1 341 . 16 1 1 A 33 33 GLN CB C 33 29.077 29.170 -0.093 1 1 343 . 16 1 1 A 33 33 GLN N N 33 116.413 118.696 -2.283 1 1 345 . 16 1 1 A 34 34 PRO HA H 34 4.039 4.678 -0.639 1 1 352 . 16 1 1 A 34 34 PRO C C 34 175.293 176.651 -1.358 1 1 353 . 16 1 1 A 34 34 PRO CA C 34 64.248 63.627 0.621 1 1 354 . 16 1 1 A 34 34 PRO CB C 34 31.974 32.026 -0.052 1 1 357 . 16 1 1 A 35 35 ASN H H 35 8.478 8.183 0.295 1 1 358 . 16 1 1 A 35 35 ASN HA H 35 4.270 4.413 -0.143 1 1 363 . 16 1 1 A 35 35 ASN C C 35 173.982 174.710 -0.728 1 1 364 . 16 1 1 A 35 35 ASN CA C 35 53.655 54.498 -0.843 1 1 365 . 16 1 1 A 35 35 ASN CB C 35 37.151 37.233 -0.082 1 1 366 . 16 1 1 A 35 35 ASN N N 35 111.907 115.432 -3.525 1 1 368 . 16 1 1 A 36 36 GLY H H 36 7.537 8.006 -0.469 1 1 369 . 16 1 1 A 36 36 GLY HA2 H 36 4.247 4.100 0.147 1 1 370 . 16 1 1 A 36 36 GLY HA3 H 36 3.749 4.108 -0.359 1 1 371 . 16 1 1 A 36 36 GLY C C 36 172.062 172.203 -0.141 1 1 372 . 16 1 1 A 36 36 GLY CA C 36 44.147 45.206 -1.059 1 1 373 . 16 1 1 A 36 36 GLY N N 36 105.149 105.974 -0.825 1 1 374 . 16 1 1 A 37 37 ILE H H 37 8.107 8.250 -0.143 1 1 375 . 16 1 1 A 37 37 ILE HA H 37 4.017 4.800 -0.783 1 1 385 . 16 1 1 A 37 37 ILE C C 37 176.534 174.994 1.540 1 1 386 . 16 1 1 A 37 37 ILE CA C 37 60.331 59.821 0.510 1 1 387 . 16 1 1 A 37 37 ILE CB C 37 38.929 40.193 -1.264 1 1 391 . 16 1 1 A 37 37 ILE N N 37 120.104 122.168 -2.064 1 1 392 . 16 1 1 A 38 38 ILE H H 38 8.678 8.971 -0.293 1 1 393 . 16 1 1 A 38 38 ILE HA H 38 3.695 4.396 -0.701 1 1 403 . 16 1 1 A 38 38 ILE C C 38 176.027 175.245 0.782 1 1 404 . 16 1 1 A 38 38 ILE CA C 38 61.811 60.805 1.006 1 1 405 . 16 1 1 A 38 38 ILE CB C 38 37.028 37.103 -0.075 1 1 409 . 16 1 1 A 38 38 ILE N N 38 127.591 126.822 0.769 1 1 410 . 16 1 1 A 39 39 LEU H H 39 9.054 8.333 0.721 1 1 411 . 16 1 1 A 39 39 LEU HA H 39 4.188 3.990 0.198 1 1 421 . 16 1 1 A 39 39 LEU C C 39 176.826 176.824 0.002 1 1 422 . 16 1 1 A 39 39 LEU CA C 39 56.416 57.409 -0.993 1 1 423 . 16 1 1 A 39 39 LEU CB C 39 42.664 42.253 0.411 1 1 427 . 16 1 1 A 39 39 LEU N N 39 130.577 129.539 1.038 1 1 428 . 16 1 1 A 40 40 ASP H H 40 7.502 7.669 -0.167 1 1 429 . 16 1 1 A 40 40 ASP HA H 40 4.392 5.022 -0.630 1 1 432 . 16 1 1 A 40 40 ASP C C 40 171.781 173.797 -2.016 1 1 433 . 16 1 1 A 40 40 ASP CA C 40 52.884 52.474 0.410 1 1 434 . 16 1 1 A 40 40 ASP CB C 40 41.985 45.442 -3.457 1 1 435 . 16 1 1 A 40 40 ASP N N 40 112.731 115.972 -3.241 1 1 436 . 16 1 1 A 41 41 TYR H H 41 8.974 8.968 0.006 1 1 437 . 16 1 1 A 41 41 TYR HA H 41 5.379 5.356 0.023 1 1 444 . 16 1 1 A 41 41 TYR C C 41 175.555 175.615 -0.060 1 1 445 . 16 1 1 A 41 41 TYR CA C 41 56.574 56.932 -0.358 1 1 446 . 16 1 1 A 41 41 TYR CB C 41 42.213 41.253 0.960 1 1 449 . 16 1 1 A 41 41 TYR N N 41 111.324 118.623 -7.299 1 1 450 . 16 1 1 A 42 42 GLU H H 42 9.184 8.634 0.550 1 1 451 . 16 1 1 A 42 42 GLU HA H 42 5.066 5.321 -0.255 1 1 456 . 16 1 1 A 42 42 GLU C C 42 174.368 175.738 -1.370 1 1 457 . 16 1 1 A 42 42 GLU CA C 42 55.126 55.872 -0.746 1 1 458 . 16 1 1 A 42 42 GLU CB C 42 33.471 32.490 0.981 1 1 460 . 16 1 1 A 42 42 GLU N N 42 120.875 122.583 -1.708 1 1 461 . 16 1 1 A 43 43 ILE H H 43 9.355 9.254 0.101 1 1 462 . 16 1 1 A 43 43 ILE HA H 43 4.853 5.368 -0.515 1 1 472 . 16 1 1 A 43 43 ILE C C 43 174.430 174.511 -0.081 1 1 473 . 16 1 1 A 43 43 ILE CA C 43 60.323 60.338 -0.015 1 1 474 . 16 1 1 A 43 43 ILE CB C 43 40.297 41.210 -0.913 1 1 478 . 16 1 1 A 43 43 ILE N N 43 126.045 123.587 2.458 1 1 479 . 16 1 1 A 44 44 ARG H H 44 9.097 9.062 0.035 1 1 480 . 16 1 1 A 44 44 ARG HA H 44 5.545 5.504 0.041 1 1 487 . 16 1 1 A 44 44 ARG C C 44 175.523 174.540 0.983 1 1 488 . 16 1 1 A 44 44 ARG CA C 44 54.386 54.527 -0.141 1 1 489 . 16 1 1 A 44 44 ARG CB C 44 34.638 33.072 1.566 1 1 492 . 16 1 1 A 44 44 ARG N N 44 127.831 129.276 -1.445 1 1 493 . 16 1 1 A 45 45 TYR H H 45 8.893 8.955 -0.062 1 1 494 . 16 1 1 A 45 45 TYR HA H 45 6.272 6.000 0.272 1 1 501 . 16 1 1 A 45 45 TYR C C 45 173.560 173.323 0.237 1 1 502 . 16 1 1 A 45 45 TYR CA C 45 54.767 55.518 -0.751 1 1 503 . 16 1 1 A 45 45 TYR CB C 45 43.168 42.482 0.686 1 1 508 . 16 1 1 A 45 45 TYR N N 45 123.683 122.854 0.829 1 1 509 . 16 1 1 A 46 46 TYR H H 46 8.479 8.785 -0.306 1 1 510 . 16 1 1 A 46 46 TYR HA H 46 5.048 5.087 -0.039 1 1 517 . 16 1 1 A 46 46 TYR C C 46 173.870 174.473 -0.603 1 1 518 . 16 1 1 A 46 46 TYR CA C 46 55.485 56.185 -0.700 1 1 519 . 16 1 1 A 46 46 TYR CB C 46 39.975 40.810 -0.835 1 1 524 . 16 1 1 A 46 46 TYR N N 46 114.778 117.536 -2.758 1 1 525 . 16 1 1 A 47 47 GLU H H 47 9.111 8.481 0.630 1 1 526 . 16 1 1 A 47 47 GLU HA H 47 3.819 3.772 0.047 1 1 531 . 16 1 1 A 47 47 GLU C C 47 177.764 177.523 0.241 1 1 532 . 16 1 1 A 47 47 GLU CA C 47 57.123 57.020 0.103 1 1 533 . 16 1 1 A 47 47 GLU CB C 47 29.773 29.881 -0.108 1 1 535 . 16 1 1 A 47 47 GLU N N 47 122.069 122.552 -0.483 1 1 536 . 16 1 1 A 48 48 LYS H H 48 8.246 8.299 -0.053 1 1 537 . 16 1 1 A 48 48 LYS HA H 48 3.722 3.842 -0.120 1 1 546 . 16 1 1 A 48 48 LYS C C 48 176.588 178.098 -1.510 1 1 547 . 16 1 1 A 48 48 LYS CA C 48 59.774 59.007 0.767 1 1 548 . 16 1 1 A 48 48 LYS CB C 48 33.032 32.261 0.771 1 1 552 . 16 1 1 A 48 48 LYS N N 48 122.857 124.562 -1.705 1 1 553 . 16 1 1 A 49 49 GLU H H 49 8.192 7.700 0.492 1 1 554 . 16 1 1 A 49 49 GLU HA H 49 4.216 4.361 -0.145 1 1 559 . 16 1 1 A 49 49 GLU C C 49 176.987 177.242 -0.255 1 1 560 . 16 1 1 A 49 49 GLU CA C 49 57.447 57.636 -0.189 1 1 561 . 16 1 1 A 49 49 GLU CB C 49 28.987 30.485 -1.498 1 1 563 . 16 1 1 A 49 49 GLU N N 49 114.305 116.705 -2.400 1 1 564 . 16 1 1 A 50 50 HIS H H 50 8.329 8.117 0.212 1 1 565 . 16 1 1 A 50 50 HIS HA H 50 4.928 4.729 0.199 1 1 570 . 16 1 1 A 50 50 HIS C C 50 173.255 174.805 -1.550 1 1 571 . 16 1 1 A 50 50 HIS CA C 50 54.372 56.938 -2.566 1 1 572 . 16 1 1 A 50 50 HIS CB C 50 31.082 31.318 -0.236 1 1 575 . 16 1 1 A 50 50 HIS N N 50 120.021 118.518 1.503 1 1 576 . 16 1 1 A 51 51 ASN H H 51 7.687 8.344 -0.657 1 1 577 . 16 1 1 A 51 51 ASN HA H 51 4.259 4.771 -0.512 1 1 582 . 16 1 1 A 51 51 ASN C C 51 174.779 176.182 -1.403 1 1 583 . 16 1 1 A 51 51 ASN CA C 51 52.561 50.603 1.958 1 1 584 . 16 1 1 A 51 51 ASN CB C 51 39.474 39.876 -0.402 1 1 585 . 16 1 1 A 51 51 ASN N N 51 114.158 118.371 -4.213 1 1 587 . 16 1 1 A 52 52 GLU H H 52 8.551 8.366 0.185 1 1 588 . 16 1 1 A 52 52 GLU HA H 52 2.797 3.346 -0.549 1 1 593 . 16 1 1 A 52 52 GLU C C 52 177.117 178.516 -1.399 1 1 594 . 16 1 1 A 52 52 GLU CA C 52 58.155 58.755 -0.600 1 1 595 . 16 1 1 A 52 52 GLU CB C 52 28.912 29.319 -0.407 1 1 597 . 16 1 1 A 52 52 GLU N N 52 117.019 117.827 -0.808 1 1 598 . 16 1 1 A 53 53 PHE H H 53 7.855 7.744 0.111 1 1 599 . 16 1 1 A 53 53 PHE HA H 53 4.371 4.344 0.027 1 1 607 . 16 1 1 A 53 53 PHE C C 53 175.783 176.864 -1.081 1 1 608 . 16 1 1 A 53 53 PHE CA C 53 58.785 60.380 -1.595 1 1 609 . 16 1 1 A 53 53 PHE CB C 53 37.747 38.531 -0.784 1 1 615 . 16 1 1 A 53 53 PHE N N 53 119.462 119.314 0.148 1 1 616 . 16 1 1 A 54 54 ASN H H 54 7.744 7.782 -0.038 1 1 617 . 16 1 1 A 54 54 ASN HA H 54 4.948 4.968 -0.020 1 1 622 . 16 1 1 A 54 54 ASN C C 54 173.922 174.361 -0.439 1 1 623 . 16 1 1 A 54 54 ASN CA C 54 52.102 52.891 -0.789 1 1 624 . 16 1 1 A 54 54 ASN CB C 54 38.637 39.161 -0.524 1 1 625 . 16 1 1 A 54 54 ASN N N 54 120.451 115.129 5.322 1 1 627 . 16 1 1 A 55 55 SER H H 55 7.469 7.731 -0.262 1 1 628 . 16 1 1 A 55 55 SER HA H 55 4.710 5.031 -0.321 1 1 631 . 16 1 1 A 55 55 SER C C 55 173.922 173.837 0.085 1 1 632 . 16 1 1 A 55 55 SER CA C 55 57.883 56.353 1.530 1 1 633 . 16 1 1 A 55 55 SER CB C 55 66.064 65.550 0.514 1 1 634 . 16 1 1 A 55 55 SER N N 55 113.429 113.379 0.050 1 1 635 . 16 1 1 A 56 56 SER H H 56 8.458 8.562 -0.104 1 1 636 . 16 1 1 A 56 56 SER HA H 56 4.632 5.030 -0.398 1 1 639 . 16 1 1 A 56 56 SER C C 56 171.119 173.056 -1.937 1 1 640 . 16 1 1 A 56 56 SER CA C 56 57.866 57.618 0.248 1 1 641 . 16 1 1 A 56 56 SER CB C 56 65.164 64.406 0.758 1 1 642 . 16 1 1 A 56 56 SER N N 56 116.653 118.447 -1.794 1 1 643 . 16 1 1 A 57 57 MET H H 57 8.355 8.821 -0.466 1 1 644 . 16 1 1 A 57 57 MET HA H 57 5.776 5.744 0.032 1 1 652 . 16 1 1 A 57 57 MET C C 57 175.771 175.070 0.701 1 1 653 . 16 1 1 A 57 57 MET CA C 57 53.913 54.122 -0.209 1 1 654 . 16 1 1 A 57 57 MET CB C 57 36.115 36.673 -0.558 1 1 657 . 16 1 1 A 57 57 MET N N 57 119.463 123.103 -3.640 1 1 658 . 16 1 1 A 58 58 ALA H H 58 9.547 9.108 0.439 1 1 659 . 16 1 1 A 58 58 ALA HA H 58 4.890 5.272 -0.382 1 1 663 . 16 1 1 A 58 58 ALA C C 58 175.328 176.014 -0.686 1 1 664 . 16 1 1 A 58 58 ALA CA C 58 50.829 50.883 -0.054 1 1 665 . 16 1 1 A 58 58 ALA CB C 58 22.649 22.986 -0.337 1 1 666 . 16 1 1 A 58 58 ALA N N 58 127.410 124.417 2.993 1 1 667 . 16 1 1 A 59 59 ARG H H 59 8.776 8.842 -0.066 1 1 668 . 16 1 1 A 59 59 ARG HA H 59 5.567 5.132 0.435 1 1 675 . 16 1 1 A 59 59 ARG C C 59 176.336 175.324 1.012 1 1 676 . 16 1 1 A 59 59 ARG CA C 59 54.843 55.487 -0.644 1 1 677 . 16 1 1 A 59 59 ARG CB C 59 33.691 32.582 1.109 1 1 680 . 16 1 1 A 59 59 ARG N N 59 119.945 123.173 -3.228 1 1 681 . 16 1 1 A 60 60 SER H H 60 8.919 8.670 0.249 1 1 682 . 16 1 1 A 60 60 SER HA H 60 5.011 5.264 -0.253 1 1 685 . 16 1 1 A 60 60 SER C C 60 174.614 173.814 0.800 1 1 686 . 16 1 1 A 60 60 SER CA C 60 56.752 56.737 0.015 1 1 687 . 16 1 1 A 60 60 SER CB C 60 66.198 65.304 0.894 1 1 688 . 16 1 1 A 60 60 SER N N 60 115.274 116.142 -0.868 1 1 689 . 16 1 1 A 61 61 GLN H H 61 9.367 8.709 0.658 1 1 690 . 16 1 1 A 61 61 GLN HA H 61 4.556 4.698 -0.142 1 1 697 . 16 1 1 A 61 61 GLN C C 61 175.391 175.197 0.194 1 1 698 . 16 1 1 A 61 61 GLN CA C 61 57.664 56.525 1.139 1 1 699 . 16 1 1 A 61 61 GLN CB C 61 29.763 29.268 0.495 1 1 701 . 16 1 1 A 61 61 GLN N N 61 124.808 123.926 0.882 1 1 703 . 16 1 1 A 62 62 THR H H 62 8.075 7.622 0.453 1 1 704 . 16 1 1 A 62 62 THR HA H 62 4.918 4.636 0.282 1 1 709 . 16 1 1 A 62 62 THR C C 62 173.106 173.033 0.073 1 1 710 . 16 1 1 A 62 62 THR CA C 62 59.369 60.412 -1.043 1 1 711 . 16 1 1 A 62 62 THR CB C 62 70.607 69.327 1.280 1 1 713 . 16 1 1 A 62 62 THR N N 62 110.260 113.831 -3.571 1 1 714 . 16 1 1 A 63 63 ASN H H 63 8.575 8.435 0.140 1 1 715 . 16 1 1 A 63 63 ASN HA H 63 3.457 3.756 -0.299 1 1 720 . 16 1 1 A 63 63 ASN C C 63 172.343 173.293 -0.950 1 1 721 . 16 1 1 A 63 63 ASN CA C 63 53.270 52.933 0.337 1 1 722 . 16 1 1 A 63 63 ASN CB C 63 34.441 38.101 -3.660 1 1 723 . 16 1 1 A 63 63 ASN N N 63 119.090 121.308 -2.218 1 1 725 . 16 1 1 A 64 64 THR H H 64 6.850 7.239 -0.389 1 1 726 . 16 1 1 A 64 64 THR HA H 64 4.296 4.224 0.072 1 1 731 . 16 1 1 A 64 64 THR C C 64 172.238 172.533 -0.295 1 1 732 . 16 1 1 A 64 64 THR CA C 64 60.501 59.847 0.654 1 1 733 . 16 1 1 A 64 64 THR CB C 64 71.252 71.008 0.244 1 1 735 . 16 1 1 A 64 64 THR N N 64 111.612 114.187 -2.575 1 1 736 . 16 1 1 A 65 65 ALA H H 65 8.619 8.425 0.194 1 1 737 . 16 1 1 A 65 65 ALA HA H 65 4.595 5.056 -0.461 1 1 741 . 16 1 1 A 65 65 ALA C C 65 174.046 174.804 -0.758 1 1 742 . 16 1 1 A 65 65 ALA CA C 65 52.102 51.419 0.683 1 1 743 . 16 1 1 A 65 65 ALA CB C 65 22.427 23.107 -0.680 1 1 744 . 16 1 1 A 65 65 ALA N N 65 124.370 130.404 -6.034 1 1 745 . 16 1 1 A 66 66 ARG H H 66 8.533 8.861 -0.328 1 1 746 . 16 1 1 A 66 66 ARG HA H 66 4.973 5.060 -0.087 1 1 753 . 16 1 1 A 66 66 ARG C C 66 175.240 174.606 0.634 1 1 754 . 16 1 1 A 66 66 ARG CA C 66 54.560 54.376 0.184 1 1 755 . 16 1 1 A 66 66 ARG CB C 66 32.088 33.544 -1.456 1 1 758 . 16 1 1 A 66 66 ARG N N 66 122.633 122.717 -0.084 1 1 759 . 16 1 1 A 67 67 ILE H H 67 8.967 9.001 -0.034 1 1 760 . 16 1 1 A 67 67 ILE HA H 67 4.013 4.564 -0.551 1 1 770 . 16 1 1 A 67 67 ILE C C 67 174.026 175.211 -1.185 1 1 771 . 16 1 1 A 67 67 ILE CA C 67 60.377 59.776 0.601 1 1 772 . 16 1 1 A 67 67 ILE CB C 67 38.044 38.213 -0.169 1 1 776 . 16 1 1 A 67 67 ILE N N 67 128.560 127.668 0.892 1 1 777 . 16 1 1 A 68 68 ASP H H 68 8.117 8.556 -0.439 1 1 778 . 16 1 1 A 68 68 ASP HA H 68 5.060 5.320 -0.260 1 1 781 . 16 1 1 A 68 68 ASP C C 68 175.792 175.911 -0.119 1 1 782 . 16 1 1 A 68 68 ASP CA C 68 52.474 52.207 0.267 1 1 783 . 16 1 1 A 68 68 ASP CB C 68 44.116 44.061 0.055 1 1 784 . 16 1 1 A 68 68 ASP N N 68 125.243 125.056 0.187 1 1 785 . 16 1 1 A 69 69 GLY H H 69 8.568 8.780 -0.212 1 1 786 . 16 1 1 A 69 69 GLY HA2 H 69 3.951 3.943 0.008 1 1 787 . 16 1 1 A 69 69 GLY HA3 H 69 3.830 3.955 -0.125 1 1 788 . 16 1 1 A 69 69 GLY C C 69 175.359 173.932 1.427 1 1 789 . 16 1 1 A 69 69 GLY CA C 69 46.356 46.037 0.319 1 1 790 . 16 1 1 A 69 69 GLY N N 69 105.736 110.941 -5.205 1 1 791 . 16 1 1 A 70 70 LEU H H 70 7.982 7.392 0.590 1 1 792 . 16 1 1 A 70 70 LEU HA H 70 4.356 4.846 -0.490 1 1 802 . 16 1 1 A 70 70 LEU C C 70 175.151 175.510 -0.359 1 1 803 . 16 1 1 A 70 70 LEU CA C 70 53.110 53.020 0.090 1 1 804 . 16 1 1 A 70 70 LEU CB C 70 40.992 44.818 -3.826 1 1 808 . 16 1 1 A 70 70 LEU N N 70 118.817 119.732 -0.915 1 1 809 . 16 1 1 A 71 71 ARG H H 71 8.148 8.931 -0.783 1 1 810 . 16 1 1 A 71 71 ARG HA H 71 4.922 4.804 0.118 1 1 817 . 16 1 1 A 71 71 ARG C C 71 174.419 173.927 0.492 1 1 818 . 16 1 1 A 71 71 ARG CA C 71 53.534 53.273 0.261 1 1 819 . 16 1 1 A 71 71 ARG CB C 71 32.001 30.856 1.145 1 1 822 . 16 1 1 A 71 71 ARG N N 71 118.182 120.656 -2.474 1 1 823 . 16 1 1 A 72 72 PRO HA H 72 5.168 4.429 0.739 1 1 830 . 16 1 1 A 72 72 PRO C C 72 178.121 177.404 0.717 1 1 831 . 16 1 1 A 72 72 PRO CA C 72 63.416 63.614 -0.198 1 1 832 . 16 1 1 A 72 72 PRO CB C 72 32.908 31.929 0.979 1 1 835 . 16 1 1 A 73 73 GLY H H 73 7.705 8.600 -0.895 1 1 836 . 16 1 1 A 73 73 GLY HA2 H 73 3.856 3.933 -0.077 1 1 837 . 16 1 1 A 73 73 GLY HA3 H 73 3.508 3.940 -0.432 1 1 838 . 16 1 1 A 73 73 GLY C C 73 173.685 174.038 -0.353 1 1 839 . 16 1 1 A 73 73 GLY CA C 73 46.731 47.011 -0.280 1 1 840 . 16 1 1 A 73 73 GLY N N 73 112.669 111.815 0.854 1 1 841 . 16 1 1 A 74 74 MET H H 74 7.511 7.448 0.063 1 1 842 . 16 1 1 A 74 74 MET HA H 74 4.742 4.986 -0.244 1 1 850 . 16 1 1 A 74 74 MET C C 74 173.525 174.390 -0.865 1 1 851 . 16 1 1 A 74 74 MET CA C 74 53.216 54.231 -1.015 1 1 852 . 16 1 1 A 74 74 MET CB C 74 33.610 37.709 -4.099 1 1 855 . 16 1 1 A 74 74 MET N N 74 119.820 118.213 1.607 1 1 856 . 16 1 1 A 75 75 VAL H H 75 7.651 8.443 -0.792 1 1 857 . 16 1 1 A 75 75 VAL HA H 75 4.361 4.792 -0.431 1 1 865 . 16 1 1 A 75 75 VAL C C 75 174.677 174.922 -0.245 1 1 866 . 16 1 1 A 75 75 VAL CA C 75 61.581 61.631 -0.050 1 1 867 . 16 1 1 A 75 75 VAL CB C 75 32.345 32.966 -0.621 1 1 870 . 16 1 1 A 75 75 VAL N N 75 121.287 121.683 -0.396 1 1 871 . 16 1 1 A 76 76 TYR H H 76 9.405 8.860 0.545 1 1 872 . 16 1 1 A 76 76 TYR HA H 76 4.743 4.993 -0.250 1 1 879 . 16 1 1 A 76 76 TYR C C 76 174.740 175.257 -0.517 1 1 880 . 16 1 1 A 76 76 TYR CA C 76 57.424 56.437 0.987 1 1 881 . 16 1 1 A 76 76 TYR CB C 76 41.151 40.608 0.543 1 1 886 . 16 1 1 A 76 76 TYR N N 76 126.231 125.337 0.894 1 1 887 . 16 1 1 A 77 77 VAL H H 77 8.867 8.077 0.790 1 1 888 . 16 1 1 A 77 77 VAL HA H 77 4.318 4.021 0.297 1 1 896 . 16 1 1 A 77 77 VAL C C 77 175.773 175.290 0.483 1 1 897 . 16 1 1 A 77 77 VAL CA C 77 61.473 63.107 -1.634 1 1 898 . 16 1 1 A 77 77 VAL CB C 77 31.218 30.579 0.639 1 1 901 . 16 1 1 A 77 77 VAL N N 77 123.699 125.305 -1.606 1 1 902 . 16 1 1 A 78 78 VAL H H 78 8.683 8.583 0.100 1 1 903 . 16 1 1 A 78 78 VAL HA H 78 4.995 4.994 0.001 1 1 911 . 16 1 1 A 78 78 VAL C C 78 175.275 175.024 0.251 1 1 912 . 16 1 1 A 78 78 VAL CA C 78 60.942 61.139 -0.197 1 1 913 . 16 1 1 A 78 78 VAL CB C 78 34.790 33.361 1.429 1 1 916 . 16 1 1 A 78 78 VAL N N 78 124.155 128.579 -4.424 1 1 917 . 16 1 1 A 79 79 GLN H H 79 8.613 8.676 -0.063 1 1 918 . 16 1 1 A 79 79 GLN HA H 79 4.511 4.973 -0.462 1 1 925 . 16 1 1 A 79 79 GLN C C 79 173.361 174.011 -0.650 1 1 926 . 16 1 1 A 79 79 GLN CA C 79 54.666 53.897 0.769 1 1 927 . 16 1 1 A 79 79 GLN CB C 79 36.751 32.526 4.225 1 1 929 . 16 1 1 A 79 79 GLN N N 79 121.693 125.277 -3.584 1 1 931 . 16 1 1 A 80 80 VAL H H 80 9.019 8.851 0.168 1 1 932 . 16 1 1 A 80 80 VAL HA H 80 5.801 5.041 0.760 1 1 940 . 16 1 1 A 80 80 VAL C C 80 174.526 174.616 -0.090 1 1 941 . 16 1 1 A 80 80 VAL CA C 80 58.750 59.607 -0.857 1 1 942 . 16 1 1 A 80 80 VAL CB C 80 35.479 34.848 0.631 1 1 945 . 16 1 1 A 80 80 VAL N N 80 118.559 121.692 -3.133 1 1 946 . 16 1 1 A 81 81 ARG H H 81 9.199 8.885 0.314 1 1 947 . 16 1 1 A 81 81 ARG HA H 81 4.951 5.049 -0.098 1 1 955 . 16 1 1 A 81 81 ARG C C 81 172.660 173.846 -1.186 1 1 956 . 16 1 1 A 81 81 ARG CA C 81 54.295 54.035 0.260 1 1 957 . 16 1 1 A 81 81 ARG CB C 81 33.750 33.827 -0.077 1 1 960 . 16 1 1 A 81 81 ARG N N 81 125.225 125.440 -0.215 1 1 962 . 16 1 1 A 82 82 ALA H H 82 8.762 8.917 -0.155 1 1 963 . 16 1 1 A 82 82 ALA HA H 82 4.820 5.384 -0.564 1 1 967 . 16 1 1 A 82 82 ALA C C 82 174.783 175.178 -0.395 1 1 968 . 16 1 1 A 82 82 ALA CA C 82 50.741 50.048 0.693 1 1 969 . 16 1 1 A 82 82 ALA CB C 82 22.383 21.970 0.413 1 1 970 . 16 1 1 A 82 82 ALA N N 82 124.292 122.589 1.703 1 1 971 . 16 1 1 A 83 83 ARG H H 83 8.336 8.396 -0.060 1 1 972 . 16 1 1 A 83 83 ARG HA H 83 4.737 5.020 -0.283 1 1 980 . 16 1 1 A 83 83 ARG C C 83 175.290 174.690 0.600 1 1 981 . 16 1 1 A 83 83 ARG CA C 83 55.727 54.196 1.531 1 1 982 . 16 1 1 A 83 83 ARG CB C 83 34.562 33.335 1.227 1 1 985 . 16 1 1 A 83 83 ARG N N 83 121.023 123.257 -2.234 1 1 987 . 16 1 1 A 84 84 THR H H 84 8.485 8.691 -0.206 1 1 988 . 16 1 1 A 84 84 THR HA H 84 4.875 5.032 -0.157 1 1 993 . 16 1 1 A 84 84 THR C C 84 176.218 175.283 0.935 1 1 994 . 16 1 1 A 84 84 THR CA C 84 59.475 59.107 0.368 1 1 995 . 16 1 1 A 84 84 THR CB C 84 72.440 72.470 -0.030 1 1 997 . 16 1 1 A 84 84 THR N N 84 116.374 116.869 -0.495 1 1 998 . 16 1 1 A 85 85 VAL H H 85 9.283 8.836 0.447 1 1 999 . 16 1 1 A 85 85 VAL HA H 85 3.794 3.793 0.001 1 1 1007 . 16 1 1 A 85 85 VAL C C 85 175.930 177.387 -1.457 1 1 1008 . 16 1 1 A 85 85 VAL CA C 85 64.934 64.877 0.057 1 1 1009 . 16 1 1 A 85 85 VAL CB C 85 31.621 31.746 -0.125 1 1 1012 . 16 1 1 A 85 85 VAL N N 85 119.099 122.420 -3.321 1 1 1013 . 16 1 1 A 86 86 ALA H H 86 7.840 7.489 0.351 1 1 1014 . 16 1 1 A 86 86 ALA HA H 86 4.242 4.108 0.134 1 1 1018 . 16 1 1 A 86 86 ALA C C 86 177.467 177.646 -0.179 1 1 1019 . 16 1 1 A 86 86 ALA CA C 86 52.774 54.672 -1.898 1 1 1020 . 16 1 1 A 86 86 ALA CB C 86 19.733 19.920 -0.187 1 1 1021 . 16 1 1 A 86 86 ALA N N 86 121.263 123.501 -2.238 1 1 1022 . 16 1 1 A 87 87 GLY H H 87 7.365 7.068 0.297 1 1 1023 . 16 1 1 A 87 87 GLY HA2 H 87 4.402 4.019 0.383 1 1 1024 . 16 1 1 A 87 87 GLY HA3 H 87 3.588 4.078 -0.490 1 1 1025 . 16 1 1 A 87 87 GLY C C 87 171.960 171.138 0.822 1 1 1026 . 16 1 1 A 87 87 GLY CA C 87 44.170 46.125 -1.955 1 1 1027 . 16 1 1 A 87 87 GLY N N 87 105.736 102.013 3.723 1 1 1028 . 16 1 1 A 88 88 TYR H H 88 8.444 8.563 -0.119 1 1 1029 . 16 1 1 A 88 88 TYR HA H 88 5.063 4.924 0.139 1 1 1036 . 16 1 1 A 88 88 TYR C C 88 179.239 175.474 3.765 1 1 1037 . 16 1 1 A 88 88 TYR CA C 88 58.308 56.110 2.198 1 1 1038 . 16 1 1 A 88 88 TYR CB C 88 41.442 40.771 0.671 1 1 1043 . 16 1 1 A 88 88 TYR N N 88 116.996 120.343 -3.347 1 1 1044 . 16 1 1 A 89 89 GLY H H 89 8.676 8.262 0.414 1 1 1045 . 16 1 1 A 89 89 GLY HA2 H 89 4.324 4.223 0.101 1 1 1046 . 16 1 1 A 89 89 GLY HA3 H 89 3.973 4.231 -0.258 1 1 1047 . 16 1 1 A 89 89 GLY C C 89 173.844 172.930 0.914 1 1 1048 . 16 1 1 A 89 89 GLY CA C 89 43.916 44.202 -0.286 1 1 1049 . 16 1 1 A 89 89 GLY N N 89 107.850 110.376 -2.526 1 1 1050 . 16 1 1 A 90 90 LYS H H 90 8.711 8.275 0.436 1 1 1051 . 16 1 1 A 90 90 LYS HA H 90 4.166 4.149 0.017 1 1 1060 . 16 1 1 A 90 90 LYS C C 90 177.819 177.024 0.795 1 1 1061 . 16 1 1 A 90 90 LYS CA C 90 56.162 55.920 0.242 1 1 1062 . 16 1 1 A 90 90 LYS CB C 90 32.730 33.273 -0.543 1 1 1066 . 16 1 1 A 90 90 LYS N N 90 119.382 119.606 -0.224 1 1 1067 . 16 1 1 A 91 91 PHE H H 91 8.698 8.652 0.046 1 1 1068 . 16 1 1 A 91 91 PHE HA H 91 4.241 5.103 -0.862 1 1 1076 . 16 1 1 A 91 91 PHE C C 91 176.805 176.113 0.692 1 1 1077 . 16 1 1 A 91 91 PHE CA C 91 61.027 58.219 2.808 1 1 1078 . 16 1 1 A 91 91 PHE CB C 91 39.995 39.862 0.133 1 1 1084 . 16 1 1 A 91 91 PHE N N 91 120.691 120.686 0.005 1 1 1085 . 16 1 1 A 92 92 SER H H 92 8.311 8.826 -0.515 1 1 1086 . 16 1 1 A 92 92 SER HA H 92 4.259 4.696 -0.437 1 1 1089 . 16 1 1 A 92 92 SER C C 92 173.499 175.088 -1.589 1 1 1090 . 16 1 1 A 92 92 SER CA C 92 58.146 57.680 0.466 1 1 1091 . 16 1 1 A 92 92 SER CB C 92 65.329 65.434 -0.105 1 1 1092 . 16 1 1 A 92 92 SER N N 92 115.098 115.801 -0.703 1 1 1093 . 16 1 1 A 93 93 GLY H H 93 8.869 8.531 0.338 1 1 1094 . 16 1 1 A 93 93 GLY HA2 H 93 4.071 3.964 0.107 1 1 1095 . 16 1 1 A 93 93 GLY HA3 H 93 3.780 3.972 -0.192 1 1 1096 . 16 1 1 A 93 93 GLY C C 93 174.375 173.874 0.501 1 1 1097 . 16 1 1 A 93 93 GLY CA C 93 45.331 45.750 -0.419 1 1 1098 . 16 1 1 A 93 93 GLY N N 93 106.252 107.952 -1.700 1 1 1099 . 16 1 1 A 94 94 LYS H H 94 8.619 8.412 0.207 1 1 1100 . 16 1 1 A 94 94 LYS HA H 94 3.633 4.244 -0.611 1 1 1109 . 16 1 1 A 94 94 LYS C C 94 176.004 176.048 -0.044 1 1 1110 . 16 1 1 A 94 94 LYS CA C 94 59.068 56.780 2.288 1 1 1111 . 16 1 1 A 94 94 LYS CB C 94 33.072 32.829 0.243 1 1 1115 . 16 1 1 A 94 94 LYS N N 94 122.645 124.355 -1.710 1 1 1116 . 16 1 1 A 95 95 MET H H 95 7.547 8.618 -1.071 1 1 1117 . 16 1 1 A 95 95 MET HA H 95 4.520 5.012 -0.492 1 1 1125 . 16 1 1 A 95 95 MET C C 95 173.400 173.818 -0.418 1 1 1126 . 16 1 1 A 95 95 MET CA C 95 54.701 54.013 0.688 1 1 1127 . 16 1 1 A 95 95 MET CB C 95 37.784 35.564 2.220 1 1 1130 . 16 1 1 A 95 95 MET N N 95 122.392 122.381 0.011 1 1 1131 . 16 1 1 A 96 96 CYS H H 96 7.888 8.578 -0.690 1 1 1132 . 16 1 1 A 96 96 CYS HA H 96 5.465 5.135 0.330 1 1 1135 . 16 1 1 A 96 96 CYS C C 96 173.757 172.875 0.882 1 1 1136 . 16 1 1 A 96 96 CYS CA C 96 57.353 56.980 0.373 1 1 1137 . 16 1 1 A 96 96 CYS CB C 96 29.941 29.238 0.703 1 1 1138 . 16 1 1 A 96 96 CYS N N 96 117.124 121.223 -4.099 1 1 1139 . 16 1 1 A 97 97 PHE H H 97 9.133 9.054 0.079 1 1 1140 . 16 1 1 A 97 97 PHE HA H 97 4.879 5.091 -0.212 1 1 1148 . 16 1 1 A 97 97 PHE C C 97 173.309 174.294 -0.985 1 1 1149 . 16 1 1 A 97 97 PHE CA C 97 56.983 56.419 0.564 1 1 1150 . 16 1 1 A 97 97 PHE CB C 97 44.074 41.362 2.712 1 1 1156 . 16 1 1 A 97 97 PHE N N 97 121.239 123.049 -1.810 1 1 1157 . 16 1 1 A 98 98 GLN H H 98 8.884 9.033 -0.149 1 1 1158 . 16 1 1 A 98 98 GLN HA H 98 5.809 5.326 0.483 1 1 1165 . 16 1 1 A 98 98 GLN C C 98 176.454 176.073 0.381 1 1 1166 . 16 1 1 A 98 98 GLN CA C 98 54.125 54.355 -0.230 1 1 1167 . 16 1 1 A 98 98 GLN CB C 98 33.444 30.390 3.054 1 1 1169 . 16 1 1 A 98 98 GLN N N 98 120.699 124.591 -3.892 1 1 1171 . 16 1 1 A 99 99 THR H H 99 8.176 8.239 -0.063 1 1 1172 . 16 1 1 A 99 99 THR HA H 99 4.324 4.618 -0.294 1 1 1177 . 16 1 1 A 99 99 THR C C 99 175.929 174.254 1.675 1 1 1178 . 16 1 1 A 99 99 THR CA C 99 60.341 61.323 -0.982 1 1 1179 . 16 1 1 A 99 99 THR CB C 99 70.070 71.685 -1.615 1 1 1181 . 16 1 1 A 99 99 THR N N 99 112.214 116.195 -3.981 1 1 1182 . 16 1 1 A 100 100 LEU H H 100 7.368 8.358 -0.990 1 1 1183 . 16 1 1 A 100 100 LEU HA H 100 4.310 4.403 -0.093 1 1 1193 . 16 1 1 A 100 100 LEU C C 100 177.359 176.411 0.948 1 1 1194 . 16 1 1 A 100 100 LEU CA C 100 54.790 55.132 -0.342 1 1 1195 . 16 1 1 A 100 100 LEU CB C 100 42.096 42.467 -0.371 1 1 1199 . 16 1 1 A 100 100 LEU N N 100 117.018 122.471 -5.453 1 1 1200 . 16 1 1 A 101 101 THR H H 101 7.997 8.346 -0.349 1 1 1201 . 16 1 1 A 101 101 THR HA H 101 4.123 5.128 -1.005 1 1 1206 . 16 1 1 A 101 101 THR C C 101 174.014 174.010 0.004 1 1 1207 . 16 1 1 A 101 101 THR CA C 101 61.968 60.550 1.418 1 1 1208 . 16 1 1 A 101 101 THR CB C 101 70.172 70.264 -0.092 1 1 1210 . 16 1 1 A 101 101 THR N N 101 110.428 114.782 -4.354 1 1 1211 . 16 1 1 A 102 102 ASP H H 102 8.320 9.037 -0.717 1 1 1212 . 16 1 1 A 102 102 ASP HA H 102 4.853 4.461 0.392 1 1 1215 . 16 1 1 A 102 102 ASP C C 102 176.204 177.948 -1.744 1 1 1216 . 16 1 1 A 102 102 ASP CA C 102 53.694 56.617 -2.923 1 1 1217 . 16 1 1 A 102 102 ASP CB C 102 41.808 41.316 0.492 1 1 1218 . 16 1 1 A 102 102 ASP N N 102 120.693 126.351 -5.658 1 1 1219 . 16 1 1 A 103 103 SER H H 103 8.294 8.020 0.274 1 1 1220 . 16 1 1 A 103 103 SER HA H 103 4.486 4.376 0.110 1 1 1223 . 16 1 1 A 103 103 SER C C 103 174.875 174.494 0.381 1 1 1224 . 16 1 1 A 103 103 SER CA C 103 58.361 59.740 -1.379 1 1 1225 . 16 1 1 A 103 103 SER CB C 103 63.942 64.575 -0.633 1 1 1226 . 16 1 1 A 103 103 SER N N 103 117.442 111.353 6.089 1 1 1227 . 16 1 1 A 104 104 GLY H H 104 8.393 7.787 0.606 1 1 1228 . 16 1 1 A 104 104 GLY HA2 H 104 4.104 4.081 0.023 1 1 1229 . 16 1 1 A 104 104 GLY HA3 H 104 4.104 4.082 0.022 1 1 1230 . 16 1 1 A 104 104 GLY C C 104 172.016 173.101 -1.085 1 1 1231 . 16 1 1 A 104 104 GLY CA C 104 44.800 44.526 0.274 1 1 1232 . 16 1 1 A 104 104 GLY N N 104 111.065 109.578 1.487 1 1 1233 . 16 1 1 A 105 105 PRO HA H 105 4.475 4.629 -0.154 1 1 1240 . 16 1 1 A 105 105 PRO C C 105 177.464 175.740 1.724 1 1 1241 . 16 1 1 A 105 105 PRO CA C 105 63.329 62.492 0.837 1 1 1242 . 16 1 1 A 105 105 PRO CB C 105 32.249 33.366 -1.117 1 1 1245 . 16 1 1 A 106 106 SER H H 106 8.514 8.273 0.241 1 1 1246 . 16 1 1 A 106 106 SER HA H 106 4.512 4.957 -0.445 1 1 1249 . 16 1 1 A 106 106 SER C C 106 174.735 175.174 -0.439 1 1 1250 . 16 1 1 A 106 106 SER CA C 106 58.361 56.502 1.859 1 1 1251 . 16 1 1 A 106 106 SER CB C 106 63.820 66.714 -2.894 1 1 1252 . 16 1 1 A 106 106 SER N N 106 116.429 114.444 1.985 1 1 1253 . 16 1 1 A 107 107 SER H H 107 8.329 8.974 -0.645 1 1 1254 . 16 1 1 A 107 107 SER HA H 107 4.512 4.160 0.352 1 1 1257 . 16 1 1 A 107 107 SER C C 107 174.004 175.032 -1.028 1 1 1258 . 16 1 1 A 107 107 SER CA C 107 58.414 61.792 -3.378 1 1 1259 . 16 1 1 A 107 107 SER CB C 107 64.014 62.883 1.131 1 1 1260 . 16 1 1 A 107 107 SER N N 107 117.919 116.746 1.173 1 1 1 . 17 1 1 A 6 6 SER HA H 6 4.523 3.984 0.539 1 1 3 . 17 1 1 A 6 6 SER CA C 6 58.535 59.388 -0.853 1 1 4 . 17 1 1 A 6 6 SER CB C 6 64.106 61.741 2.365 1 1 5 . 17 1 1 A 7 7 GLY H H 7 8.202 8.123 0.079 1 1 6 . 17 1 1 A 7 7 GLY HA2 H 7 3.881 4.079 -0.198 1 1 7 . 17 1 1 A 7 7 GLY HA3 H 7 3.740 4.080 -0.340 1 1 8 . 17 1 1 A 7 7 GLY CA C 7 44.322 44.304 0.018 1 1 9 . 17 1 1 A 7 7 GLY N N 7 109.573 108.306 1.267 1 1 10 . 17 1 1 A 8 8 PRO HA H 8 4.641 4.487 0.154 1 1 17 . 17 1 1 A 8 8 PRO C C 8 176.480 176.731 -0.251 1 1 18 . 17 1 1 A 8 8 PRO CA C 8 62.582 62.642 -0.060 1 1 19 . 17 1 1 A 8 8 PRO CB C 8 32.331 32.191 0.140 1 1 22 . 17 1 1 A 9 9 SER H H 9 8.061 8.645 -0.584 1 1 23 . 17 1 1 A 9 9 SER HA H 9 4.374 4.418 -0.044 1 1 26 . 17 1 1 A 9 9 SER C C 9 173.090 173.398 -0.308 1 1 27 . 17 1 1 A 9 9 SER CA C 9 58.754 58.840 -0.086 1 1 28 . 17 1 1 A 9 9 SER CB C 9 63.667 63.925 -0.258 1 1 29 . 17 1 1 A 9 9 SER N N 9 115.137 117.429 -2.292 1 1 30 . 17 1 1 A 10 10 THR H H 10 8.359 8.562 -0.203 1 1 31 . 17 1 1 A 10 10 THR HA H 10 4.027 5.021 -0.994 1 1 36 . 17 1 1 A 10 10 THR C C 10 175.380 173.360 2.020 1 1 37 . 17 1 1 A 10 10 THR CA C 10 62.781 60.018 2.763 1 1 38 . 17 1 1 A 10 10 THR CB C 10 69.617 72.193 -2.576 1 1 40 . 17 1 1 A 10 10 THR N N 10 115.079 118.747 -3.668 1 1 41 . 17 1 1 A 11 11 VAL H H 11 9.280 8.601 0.679 1 1 42 . 17 1 1 A 11 11 VAL HA H 11 4.097 4.109 -0.012 1 1 50 . 17 1 1 A 11 11 VAL C C 11 175.706 176.338 -0.632 1 1 51 . 17 1 1 A 11 11 VAL CA C 11 61.518 61.625 -0.107 1 1 52 . 17 1 1 A 11 11 VAL CB C 11 33.174 32.088 1.086 1 1 55 . 17 1 1 A 11 11 VAL N N 11 131.182 126.939 4.243 1 1 56 . 17 1 1 A 12 12 PRO HA H 12 4.415 4.487 -0.072 1 1 63 . 17 1 1 A 12 12 PRO C C 12 175.612 176.284 -0.672 1 1 64 . 17 1 1 A 12 12 PRO CA C 12 64.850 64.548 0.302 1 1 65 . 17 1 1 A 12 12 PRO CB C 12 32.578 32.297 0.281 1 1 68 . 17 1 1 A 13 13 ILE H H 13 7.251 7.452 -0.201 1 1 69 . 17 1 1 A 13 13 ILE HA H 13 4.439 4.520 -0.081 1 1 79 . 17 1 1 A 13 13 ILE C C 13 170.969 173.233 -2.264 1 1 80 . 17 1 1 A 13 13 ILE CA C 13 59.973 59.266 0.707 1 1 81 . 17 1 1 A 13 13 ILE CB C 13 40.776 41.224 -0.448 1 1 85 . 17 1 1 A 13 13 ILE N N 13 115.827 115.855 -0.028 1 1 86 . 17 1 1 A 14 14 MET H H 14 6.827 8.670 -1.843 1 1 87 . 17 1 1 A 14 14 MET HA H 14 4.961 5.343 -0.382 1 1 95 . 17 1 1 A 14 14 MET C C 14 173.380 175.163 -1.783 1 1 96 . 17 1 1 A 14 14 MET CA C 14 55.214 54.021 1.193 1 1 97 . 17 1 1 A 14 14 MET CB C 14 38.223 35.294 2.929 1 1 100 . 17 1 1 A 14 14 MET N N 14 116.754 125.428 -8.674 1 1 101 . 17 1 1 A 15 15 HIS H H 15 9.417 9.188 0.229 1 1 102 . 17 1 1 A 15 15 HIS HA H 15 4.958 5.217 -0.259 1 1 107 . 17 1 1 A 15 15 HIS C C 15 173.901 173.756 0.145 1 1 108 . 17 1 1 A 15 15 HIS CA C 15 55.190 54.170 1.020 1 1 109 . 17 1 1 A 15 15 HIS CB C 15 33.361 33.080 0.281 1 1 112 . 17 1 1 A 15 15 HIS N N 15 118.539 118.584 -0.045 1 1 113 . 17 1 1 A 16 16 GLN H H 16 9.164 8.872 0.292 1 1 114 . 17 1 1 A 16 16 GLN HA H 16 4.385 4.336 0.049 1 1 121 . 17 1 1 A 16 16 GLN C C 16 175.463 174.806 0.657 1 1 122 . 17 1 1 A 16 16 GLN CA C 16 55.992 54.970 1.022 1 1 123 . 17 1 1 A 16 16 GLN CB C 16 29.159 29.797 -0.638 1 1 125 . 17 1 1 A 16 16 GLN N N 16 123.267 124.498 -1.231 1 1 127 . 17 1 1 A 17 17 VAL H H 17 8.983 8.752 0.231 1 1 128 . 17 1 1 A 17 17 VAL HA H 17 3.910 3.993 -0.083 1 1 136 . 17 1 1 A 17 17 VAL C C 17 176.328 175.696 0.632 1 1 137 . 17 1 1 A 17 17 VAL CA C 17 63.807 63.848 -0.041 1 1 138 . 17 1 1 A 17 17 VAL CB C 17 33.088 32.616 0.472 1 1 141 . 17 1 1 A 17 17 VAL N N 17 128.880 128.421 0.459 1 1 142 . 17 1 1 A 18 18 SER H H 18 7.740 7.510 0.230 1 1 143 . 17 1 1 A 18 18 SER HA H 18 4.589 4.595 -0.006 1 1 146 . 17 1 1 A 18 18 SER C C 18 171.965 172.132 -0.167 1 1 147 . 17 1 1 A 18 18 SER CA C 18 57.441 56.522 0.919 1 1 148 . 17 1 1 A 18 18 SER CB C 18 64.058 64.599 -0.541 1 1 149 . 17 1 1 A 18 18 SER N N 18 110.447 111.194 -0.747 1 1 150 . 17 1 1 A 19 19 ALA H H 19 8.114 8.430 -0.316 1 1 151 . 17 1 1 A 19 19 ALA HA H 19 5.086 4.802 0.284 1 1 155 . 17 1 1 A 19 19 ALA C C 19 176.404 176.226 0.178 1 1 156 . 17 1 1 A 19 19 ALA CA C 19 52.453 51.485 0.968 1 1 157 . 17 1 1 A 19 19 ALA CB C 19 23.038 22.900 0.138 1 1 158 . 17 1 1 A 19 19 ALA N N 19 121.116 123.707 -2.591 1 1 159 . 17 1 1 A 20 20 THR H H 20 8.710 8.787 -0.077 1 1 160 . 17 1 1 A 20 20 THR HA H 20 4.787 4.864 -0.077 1 1 165 . 17 1 1 A 20 20 THR C C 20 175.596 174.714 0.882 1 1 166 . 17 1 1 A 20 20 THR CA C 20 60.341 59.937 0.404 1 1 167 . 17 1 1 A 20 20 THR CB C 20 71.307 71.310 -0.003 1 1 169 . 17 1 1 A 20 20 THR N N 20 110.762 109.479 1.283 1 1 170 . 17 1 1 A 21 21 MET H H 21 8.686 8.738 -0.052 1 1 171 . 17 1 1 A 21 21 MET HA H 21 4.618 4.407 0.211 1 1 179 . 17 1 1 A 21 21 MET C C 21 174.754 176.583 -1.829 1 1 180 . 17 1 1 A 21 21 MET CA C 21 59.272 57.266 2.006 1 1 181 . 17 1 1 A 21 21 MET CB C 21 34.488 32.715 1.773 1 1 184 . 17 1 1 A 21 21 MET N N 21 118.478 119.761 -1.283 1 1 185 . 17 1 1 A 22 22 ARG H H 22 7.296 7.557 -0.261 1 1 186 . 17 1 1 A 22 22 ARG HA H 22 4.453 4.525 -0.072 1 1 193 . 17 1 1 A 22 22 ARG C C 22 174.722 174.916 -0.194 1 1 194 . 17 1 1 A 22 22 ARG CA C 22 54.218 55.267 -1.049 1 1 195 . 17 1 1 A 22 22 ARG CB C 22 32.509 31.612 0.897 1 1 198 . 17 1 1 A 22 22 ARG N N 22 108.176 117.560 -9.384 1 1 199 . 17 1 1 A 23 23 SER H H 23 7.387 7.624 -0.237 1 1 200 . 17 1 1 A 23 23 SER HA H 23 5.353 5.225 0.128 1 1 203 . 17 1 1 A 23 23 SER C C 23 171.910 172.204 -0.294 1 1 204 . 17 1 1 A 23 23 SER CA C 23 57.230 57.489 -0.259 1 1 205 . 17 1 1 A 23 23 SER CB C 23 68.011 65.934 2.077 1 1 206 . 17 1 1 A 23 23 SER N N 23 114.861 112.446 2.415 1 1 207 . 17 1 1 A 24 24 ILE H H 24 8.061 8.271 -0.210 1 1 208 . 17 1 1 A 24 24 ILE HA H 24 4.470 4.709 -0.239 1 1 218 . 17 1 1 A 24 24 ILE C C 24 174.028 174.610 -0.582 1 1 219 . 17 1 1 A 24 24 ILE CA C 24 61.402 60.031 1.371 1 1 220 . 17 1 1 A 24 24 ILE CB C 24 43.249 41.806 1.443 1 1 224 . 17 1 1 A 24 24 ILE N N 24 116.152 120.184 -4.032 1 1 225 . 17 1 1 A 25 25 THR H H 25 8.584 8.690 -0.106 1 1 226 . 17 1 1 A 25 25 THR HA H 25 5.107 4.978 0.129 1 1 231 . 17 1 1 A 25 25 THR C C 25 173.463 173.470 -0.007 1 1 232 . 17 1 1 A 25 25 THR CA C 25 62.127 61.377 0.750 1 1 233 . 17 1 1 A 25 25 THR CB C 25 68.954 70.654 -1.700 1 1 235 . 17 1 1 A 25 25 THR N N 25 122.080 123.196 -1.116 1 1 236 . 17 1 1 A 26 26 LEU H H 26 9.093 8.228 0.865 1 1 237 . 17 1 1 A 26 26 LEU HA H 26 5.427 4.904 0.523 1 1 247 . 17 1 1 A 26 26 LEU C C 26 175.180 175.269 -0.089 1 1 248 . 17 1 1 A 26 26 LEU CA C 26 53.181 53.549 -0.368 1 1 249 . 17 1 1 A 26 26 LEU CB C 26 46.902 46.759 0.143 1 1 253 . 17 1 1 A 26 26 LEU N N 26 128.231 126.071 2.160 1 1 254 . 17 1 1 A 27 27 SER H H 27 9.260 8.872 0.388 1 1 255 . 17 1 1 A 27 27 SER HA H 27 4.757 4.759 -0.002 1 1 258 . 17 1 1 A 27 27 SER C C 27 172.413 172.677 -0.264 1 1 259 . 17 1 1 A 27 27 SER CA C 27 56.912 57.242 -0.330 1 1 260 . 17 1 1 A 27 27 SER CB C 27 66.220 65.467 0.753 1 1 261 . 17 1 1 A 27 27 SER N N 27 115.325 114.719 0.606 1 1 262 . 17 1 1 A 28 28 TRP H H 28 7.430 7.973 -0.543 1 1 263 . 17 1 1 A 28 28 TRP HA H 28 5.212 5.454 -0.242 1 1 272 . 17 1 1 A 28 28 TRP C C 28 171.555 173.231 -1.676 1 1 273 . 17 1 1 A 28 28 TRP CA C 28 55.143 54.772 0.371 1 1 274 . 17 1 1 A 28 28 TRP CB C 28 28.918 31.706 -2.788 1 1 280 . 17 1 1 A 28 28 TRP N N 28 119.703 122.007 -2.304 1 1 282 . 17 1 1 A 29 29 PRO HA H 29 4.543 4.590 -0.047 1 1 289 . 17 1 1 A 29 29 PRO C C 29 175.962 176.105 -0.143 1 1 290 . 17 1 1 A 29 29 PRO CA C 29 61.702 62.878 -1.176 1 1 291 . 17 1 1 A 29 29 PRO CB C 29 32.041 32.212 -0.171 1 1 294 . 17 1 1 A 30 30 GLN H H 30 8.248 8.552 -0.304 1 1 295 . 17 1 1 A 30 30 GLN HA H 30 4.654 4.566 0.088 1 1 302 . 17 1 1 A 30 30 GLN C C 30 174.856 174.794 0.062 1 1 303 . 17 1 1 A 30 30 GLN CA C 30 54.524 53.790 0.734 1 1 304 . 17 1 1 A 30 30 GLN CB C 30 28.623 29.714 -1.091 1 1 306 . 17 1 1 A 30 30 GLN N N 30 117.321 121.227 -3.906 1 1 308 . 17 1 1 A 31 31 PRO HA H 31 4.116 4.787 -0.671 1 1 315 . 17 1 1 A 31 31 PRO C C 31 175.787 176.171 -0.384 1 1 316 . 17 1 1 A 31 31 PRO CA C 31 63.364 62.998 0.366 1 1 317 . 17 1 1 A 31 31 PRO CB C 31 32.503 32.844 -0.341 1 1 320 . 17 1 1 A 32 32 GLU H H 32 8.367 8.366 0.001 1 1 321 . 17 1 1 A 32 32 GLU HA H 32 4.004 4.475 -0.471 1 1 326 . 17 1 1 A 32 32 GLU C C 32 176.748 176.744 0.004 1 1 327 . 17 1 1 A 32 32 GLU CA C 32 58.644 56.284 2.360 1 1 328 . 17 1 1 A 32 32 GLU CB C 32 30.271 30.126 0.145 1 1 330 . 17 1 1 A 32 32 GLU N N 32 122.959 118.038 4.921 1 1 331 . 17 1 1 A 33 33 GLN H H 33 8.220 7.757 0.463 1 1 332 . 17 1 1 A 33 33 GLN HA H 33 4.820 4.881 -0.061 1 1 339 . 17 1 1 A 33 33 GLN C C 33 172.938 174.408 -1.470 1 1 340 . 17 1 1 A 33 33 GLN CA C 33 52.544 53.422 -0.878 1 1 341 . 17 1 1 A 33 33 GLN CB C 33 29.077 29.461 -0.384 1 1 343 . 17 1 1 A 33 33 GLN N N 33 116.413 119.484 -3.071 1 1 345 . 17 1 1 A 34 34 PRO HA H 34 4.039 4.427 -0.388 1 1 352 . 17 1 1 A 34 34 PRO C C 34 175.293 176.548 -1.255 1 1 353 . 17 1 1 A 34 34 PRO CA C 34 64.248 63.659 0.589 1 1 354 . 17 1 1 A 34 34 PRO CB C 34 31.974 32.099 -0.125 1 1 357 . 17 1 1 A 35 35 ASN H H 35 8.478 8.109 0.369 1 1 358 . 17 1 1 A 35 35 ASN HA H 35 4.270 4.400 -0.130 1 1 363 . 17 1 1 A 35 35 ASN C C 35 173.982 174.468 -0.486 1 1 364 . 17 1 1 A 35 35 ASN CA C 35 53.655 54.574 -0.919 1 1 365 . 17 1 1 A 35 35 ASN CB C 35 37.151 37.035 0.116 1 1 366 . 17 1 1 A 35 35 ASN N N 35 111.907 115.111 -3.204 1 1 368 . 17 1 1 A 36 36 GLY H H 36 7.537 7.875 -0.338 1 1 369 . 17 1 1 A 36 36 GLY HA2 H 36 4.247 3.989 0.258 1 1 370 . 17 1 1 A 36 36 GLY HA3 H 36 3.749 4.000 -0.251 1 1 371 . 17 1 1 A 36 36 GLY C C 36 172.062 172.211 -0.149 1 1 372 . 17 1 1 A 36 36 GLY CA C 36 44.147 44.468 -0.321 1 1 373 . 17 1 1 A 36 36 GLY N N 36 105.149 106.875 -1.726 1 1 374 . 17 1 1 A 37 37 ILE H H 37 8.107 8.556 -0.449 1 1 375 . 17 1 1 A 37 37 ILE HA H 37 4.017 4.056 -0.039 1 1 385 . 17 1 1 A 37 37 ILE C C 37 176.534 175.756 0.778 1 1 386 . 17 1 1 A 37 37 ILE CA C 37 60.331 61.417 -1.086 1 1 387 . 17 1 1 A 37 37 ILE CB C 37 38.929 37.642 1.287 1 1 391 . 17 1 1 A 37 37 ILE N N 37 120.104 121.328 -1.224 1 1 392 . 17 1 1 A 38 38 ILE H H 38 8.678 8.609 0.069 1 1 393 . 17 1 1 A 38 38 ILE HA H 38 3.695 4.156 -0.461 1 1 403 . 17 1 1 A 38 38 ILE C C 38 176.027 175.529 0.498 1 1 404 . 17 1 1 A 38 38 ILE CA C 38 61.811 61.876 -0.065 1 1 405 . 17 1 1 A 38 38 ILE CB C 38 37.028 36.702 0.326 1 1 409 . 17 1 1 A 38 38 ILE N N 38 127.591 129.163 -1.572 1 1 410 . 17 1 1 A 39 39 LEU H H 39 9.054 8.410 0.644 1 1 411 . 17 1 1 A 39 39 LEU HA H 39 4.188 3.982 0.206 1 1 421 . 17 1 1 A 39 39 LEU C C 39 176.826 176.681 0.145 1 1 422 . 17 1 1 A 39 39 LEU CA C 39 56.416 57.200 -0.784 1 1 423 . 17 1 1 A 39 39 LEU CB C 39 42.664 42.152 0.512 1 1 427 . 17 1 1 A 39 39 LEU N N 39 130.577 129.808 0.769 1 1 428 . 17 1 1 A 40 40 ASP H H 40 7.502 7.562 -0.060 1 1 429 . 17 1 1 A 40 40 ASP HA H 40 4.392 4.999 -0.607 1 1 432 . 17 1 1 A 40 40 ASP C C 40 171.781 173.723 -1.942 1 1 433 . 17 1 1 A 40 40 ASP CA C 40 52.884 52.782 0.102 1 1 434 . 17 1 1 A 40 40 ASP CB C 40 41.985 44.868 -2.883 1 1 435 . 17 1 1 A 40 40 ASP N N 40 112.731 115.570 -2.839 1 1 436 . 17 1 1 A 41 41 TYR H H 41 8.974 8.581 0.393 1 1 437 . 17 1 1 A 41 41 TYR HA H 41 5.379 5.236 0.143 1 1 444 . 17 1 1 A 41 41 TYR C C 41 175.555 174.655 0.900 1 1 445 . 17 1 1 A 41 41 TYR CA C 41 56.574 56.675 -0.101 1 1 446 . 17 1 1 A 41 41 TYR CB C 41 42.213 41.108 1.105 1 1 449 . 17 1 1 A 41 41 TYR N N 41 111.324 117.672 -6.348 1 1 450 . 17 1 1 A 42 42 GLU H H 42 9.184 9.160 0.024 1 1 451 . 17 1 1 A 42 42 GLU HA H 42 5.066 4.981 0.085 1 1 456 . 17 1 1 A 42 42 GLU C C 42 174.368 175.408 -1.040 1 1 457 . 17 1 1 A 42 42 GLU CA C 42 55.126 55.736 -0.610 1 1 458 . 17 1 1 A 42 42 GLU CB C 42 33.471 31.363 2.108 1 1 460 . 17 1 1 A 42 42 GLU N N 42 120.875 125.040 -4.165 1 1 461 . 17 1 1 A 43 43 ILE H H 43 9.355 9.336 0.019 1 1 462 . 17 1 1 A 43 43 ILE HA H 43 4.853 5.405 -0.552 1 1 472 . 17 1 1 A 43 43 ILE C C 43 174.430 174.554 -0.124 1 1 473 . 17 1 1 A 43 43 ILE CA C 43 60.323 59.759 0.564 1 1 474 . 17 1 1 A 43 43 ILE CB C 43 40.297 40.528 -0.231 1 1 478 . 17 1 1 A 43 43 ILE N N 43 126.045 126.657 -0.612 1 1 479 . 17 1 1 A 44 44 ARG H H 44 9.097 9.228 -0.131 1 1 480 . 17 1 1 A 44 44 ARG HA H 44 5.545 5.289 0.256 1 1 487 . 17 1 1 A 44 44 ARG C C 44 175.523 174.177 1.346 1 1 488 . 17 1 1 A 44 44 ARG CA C 44 54.386 54.280 0.106 1 1 489 . 17 1 1 A 44 44 ARG CB C 44 34.638 32.594 2.044 1 1 492 . 17 1 1 A 44 44 ARG N N 44 127.831 127.557 0.274 1 1 493 . 17 1 1 A 45 45 TYR H H 45 8.893 8.291 0.602 1 1 494 . 17 1 1 A 45 45 TYR HA H 45 6.272 5.923 0.349 1 1 501 . 17 1 1 A 45 45 TYR C C 45 173.560 173.437 0.123 1 1 502 . 17 1 1 A 45 45 TYR CA C 45 54.767 55.266 -0.499 1 1 503 . 17 1 1 A 45 45 TYR CB C 45 43.168 42.257 0.911 1 1 508 . 17 1 1 A 45 45 TYR N N 45 123.683 123.619 0.064 1 1 509 . 17 1 1 A 46 46 TYR H H 46 8.479 8.364 0.115 1 1 510 . 17 1 1 A 46 46 TYR HA H 46 5.048 5.149 -0.101 1 1 517 . 17 1 1 A 46 46 TYR C C 46 173.870 174.053 -0.183 1 1 518 . 17 1 1 A 46 46 TYR CA C 46 55.485 55.808 -0.323 1 1 519 . 17 1 1 A 46 46 TYR CB C 46 39.975 40.532 -0.557 1 1 524 . 17 1 1 A 46 46 TYR N N 46 114.778 117.631 -2.853 1 1 525 . 17 1 1 A 47 47 GLU H H 47 9.111 8.661 0.450 1 1 526 . 17 1 1 A 47 47 GLU HA H 47 3.819 4.104 -0.285 1 1 531 . 17 1 1 A 47 47 GLU C C 47 177.764 177.733 0.031 1 1 532 . 17 1 1 A 47 47 GLU CA C 47 57.123 57.121 0.002 1 1 533 . 17 1 1 A 47 47 GLU CB C 47 29.773 29.856 -0.083 1 1 535 . 17 1 1 A 47 47 GLU N N 47 122.069 120.605 1.464 1 1 536 . 17 1 1 A 48 48 LYS H H 48 8.246 8.665 -0.419 1 1 537 . 17 1 1 A 48 48 LYS HA H 48 3.722 3.991 -0.269 1 1 546 . 17 1 1 A 48 48 LYS C C 48 176.588 177.985 -1.397 1 1 547 . 17 1 1 A 48 48 LYS CA C 48 59.774 58.799 0.975 1 1 548 . 17 1 1 A 48 48 LYS CB C 48 33.032 32.389 0.643 1 1 552 . 17 1 1 A 48 48 LYS N N 48 122.857 125.303 -2.446 1 1 553 . 17 1 1 A 49 49 GLU H H 49 8.192 7.621 0.571 1 1 554 . 17 1 1 A 49 49 GLU HA H 49 4.216 4.393 -0.177 1 1 559 . 17 1 1 A 49 49 GLU C C 49 176.987 176.984 0.003 1 1 560 . 17 1 1 A 49 49 GLU CA C 49 57.447 57.255 0.192 1 1 561 . 17 1 1 A 49 49 GLU CB C 49 28.987 30.715 -1.728 1 1 563 . 17 1 1 A 49 49 GLU N N 49 114.305 116.899 -2.594 1 1 564 . 17 1 1 A 50 50 HIS H H 50 8.329 8.159 0.170 1 1 565 . 17 1 1 A 50 50 HIS HA H 50 4.928 4.909 0.019 1 1 570 . 17 1 1 A 50 50 HIS C C 50 173.255 174.391 -1.136 1 1 571 . 17 1 1 A 50 50 HIS CA C 50 54.372 55.971 -1.599 1 1 572 . 17 1 1 A 50 50 HIS CB C 50 31.082 32.030 -0.948 1 1 575 . 17 1 1 A 50 50 HIS N N 50 120.021 118.273 1.748 1 1 576 . 17 1 1 A 51 51 ASN H H 51 7.687 8.264 -0.577 1 1 577 . 17 1 1 A 51 51 ASN HA H 51 4.259 4.744 -0.485 1 1 582 . 17 1 1 A 51 51 ASN C C 51 174.779 175.912 -1.133 1 1 583 . 17 1 1 A 51 51 ASN CA C 51 52.561 50.550 2.011 1 1 584 . 17 1 1 A 51 51 ASN CB C 51 39.474 40.048 -0.574 1 1 585 . 17 1 1 A 51 51 ASN N N 51 114.158 117.133 -2.975 1 1 587 . 17 1 1 A 52 52 GLU H H 52 8.551 8.619 -0.068 1 1 588 . 17 1 1 A 52 52 GLU HA H 52 2.797 3.504 -0.707 1 1 593 . 17 1 1 A 52 52 GLU C C 52 177.117 178.731 -1.614 1 1 594 . 17 1 1 A 52 52 GLU CA C 52 58.155 59.375 -1.220 1 1 595 . 17 1 1 A 52 52 GLU CB C 52 28.912 29.148 -0.236 1 1 597 . 17 1 1 A 52 52 GLU N N 52 117.019 118.444 -1.425 1 1 598 . 17 1 1 A 53 53 PHE H H 53 7.855 8.333 -0.478 1 1 599 . 17 1 1 A 53 53 PHE HA H 53 4.371 4.011 0.360 1 1 607 . 17 1 1 A 53 53 PHE C C 53 175.783 177.033 -1.250 1 1 608 . 17 1 1 A 53 53 PHE CA C 53 58.785 61.750 -2.965 1 1 609 . 17 1 1 A 53 53 PHE CB C 53 37.747 39.144 -1.397 1 1 615 . 17 1 1 A 53 53 PHE N N 53 119.462 120.986 -1.524 1 1 616 . 17 1 1 A 54 54 ASN H H 54 7.744 7.670 0.074 1 1 617 . 17 1 1 A 54 54 ASN HA H 54 4.948 4.774 0.174 1 1 622 . 17 1 1 A 54 54 ASN C C 54 173.922 173.846 0.076 1 1 623 . 17 1 1 A 54 54 ASN CA C 54 52.102 52.421 -0.319 1 1 624 . 17 1 1 A 54 54 ASN CB C 54 38.637 36.708 1.929 1 1 625 . 17 1 1 A 54 54 ASN N N 54 120.451 115.943 4.508 1 1 627 . 17 1 1 A 55 55 SER H H 55 7.469 7.719 -0.250 1 1 628 . 17 1 1 A 55 55 SER HA H 55 4.710 5.314 -0.604 1 1 631 . 17 1 1 A 55 55 SER C C 55 173.922 173.308 0.614 1 1 632 . 17 1 1 A 55 55 SER CA C 55 57.883 55.794 2.089 1 1 633 . 17 1 1 A 55 55 SER CB C 55 66.064 66.061 0.003 1 1 634 . 17 1 1 A 55 55 SER N N 55 113.429 113.665 -0.236 1 1 635 . 17 1 1 A 56 56 SER H H 56 8.458 8.411 0.047 1 1 636 . 17 1 1 A 56 56 SER HA H 56 4.632 5.101 -0.469 1 1 639 . 17 1 1 A 56 56 SER C C 56 171.119 172.609 -1.490 1 1 640 . 17 1 1 A 56 56 SER CA C 56 57.866 56.666 1.200 1 1 641 . 17 1 1 A 56 56 SER CB C 56 65.164 65.651 -0.487 1 1 642 . 17 1 1 A 56 56 SER N N 56 116.653 116.484 0.169 1 1 643 . 17 1 1 A 57 57 MET H H 57 8.355 8.760 -0.405 1 1 644 . 17 1 1 A 57 57 MET HA H 57 5.776 5.688 0.088 1 1 652 . 17 1 1 A 57 57 MET C C 57 175.771 175.025 0.746 1 1 653 . 17 1 1 A 57 57 MET CA C 57 53.913 54.148 -0.235 1 1 654 . 17 1 1 A 57 57 MET CB C 57 36.115 37.462 -1.347 1 1 657 . 17 1 1 A 57 57 MET N N 57 119.463 121.061 -1.598 1 1 658 . 17 1 1 A 58 58 ALA H H 58 9.547 8.627 0.920 1 1 659 . 17 1 1 A 58 58 ALA HA H 58 4.890 5.034 -0.144 1 1 663 . 17 1 1 A 58 58 ALA C C 58 175.328 176.097 -0.769 1 1 664 . 17 1 1 A 58 58 ALA CA C 58 50.829 51.827 -0.998 1 1 665 . 17 1 1 A 58 58 ALA CB C 58 22.649 22.440 0.209 1 1 666 . 17 1 1 A 58 58 ALA N N 58 127.410 121.817 5.593 1 1 667 . 17 1 1 A 59 59 ARG H H 59 8.776 8.902 -0.126 1 1 668 . 17 1 1 A 59 59 ARG HA H 59 5.567 5.163 0.404 1 1 675 . 17 1 1 A 59 59 ARG C C 59 176.336 175.467 0.869 1 1 676 . 17 1 1 A 59 59 ARG CA C 59 54.843 55.363 -0.520 1 1 677 . 17 1 1 A 59 59 ARG CB C 59 33.691 32.531 1.160 1 1 680 . 17 1 1 A 59 59 ARG N N 59 119.945 123.920 -3.975 1 1 681 . 17 1 1 A 60 60 SER H H 60 8.919 8.376 0.543 1 1 682 . 17 1 1 A 60 60 SER HA H 60 5.011 5.240 -0.229 1 1 685 . 17 1 1 A 60 60 SER C C 60 174.614 173.577 1.037 1 1 686 . 17 1 1 A 60 60 SER CA C 60 56.752 56.855 -0.103 1 1 687 . 17 1 1 A 60 60 SER CB C 60 66.198 65.522 0.676 1 1 688 . 17 1 1 A 60 60 SER N N 60 115.274 115.169 0.105 1 1 689 . 17 1 1 A 61 61 GLN H H 61 9.367 8.795 0.572 1 1 690 . 17 1 1 A 61 61 GLN HA H 61 4.556 4.526 0.030 1 1 697 . 17 1 1 A 61 61 GLN C C 61 175.391 175.481 -0.090 1 1 698 . 17 1 1 A 61 61 GLN CA C 61 57.664 57.002 0.662 1 1 699 . 17 1 1 A 61 61 GLN CB C 61 29.763 29.545 0.218 1 1 701 . 17 1 1 A 61 61 GLN N N 61 124.808 122.882 1.926 1 1 703 . 17 1 1 A 62 62 THR H H 62 8.075 7.256 0.819 1 1 704 . 17 1 1 A 62 62 THR HA H 62 4.918 4.812 0.106 1 1 709 . 17 1 1 A 62 62 THR C C 62 173.106 173.220 -0.114 1 1 710 . 17 1 1 A 62 62 THR CA C 62 59.369 59.335 0.034 1 1 711 . 17 1 1 A 62 62 THR CB C 62 70.607 71.522 -0.915 1 1 713 . 17 1 1 A 62 62 THR N N 62 110.260 112.873 -2.613 1 1 714 . 17 1 1 A 63 63 ASN H H 63 8.575 8.459 0.116 1 1 715 . 17 1 1 A 63 63 ASN HA H 63 3.457 4.147 -0.690 1 1 720 . 17 1 1 A 63 63 ASN C C 63 172.343 173.456 -1.113 1 1 721 . 17 1 1 A 63 63 ASN CA C 63 53.270 52.770 0.500 1 1 722 . 17 1 1 A 63 63 ASN CB C 63 34.441 38.396 -3.955 1 1 723 . 17 1 1 A 63 63 ASN N N 63 119.090 121.078 -1.988 1 1 725 . 17 1 1 A 64 64 THR H H 64 6.850 7.233 -0.383 1 1 726 . 17 1 1 A 64 64 THR HA H 64 4.296 4.117 0.179 1 1 731 . 17 1 1 A 64 64 THR C C 64 172.238 171.850 0.388 1 1 732 . 17 1 1 A 64 64 THR CA C 64 60.501 61.014 -0.513 1 1 733 . 17 1 1 A 64 64 THR CB C 64 71.252 71.135 0.117 1 1 735 . 17 1 1 A 64 64 THR N N 64 111.612 113.862 -2.250 1 1 736 . 17 1 1 A 65 65 ALA H H 65 8.619 8.743 -0.124 1 1 737 . 17 1 1 A 65 65 ALA HA H 65 4.595 4.996 -0.401 1 1 741 . 17 1 1 A 65 65 ALA C C 65 174.046 174.972 -0.926 1 1 742 . 17 1 1 A 65 65 ALA CA C 65 52.102 51.283 0.819 1 1 743 . 17 1 1 A 65 65 ALA CB C 65 22.427 23.581 -1.154 1 1 744 . 17 1 1 A 65 65 ALA N N 65 124.370 129.825 -5.455 1 1 745 . 17 1 1 A 66 66 ARG H H 66 8.533 8.724 -0.191 1 1 746 . 17 1 1 A 66 66 ARG HA H 66 4.973 5.256 -0.283 1 1 753 . 17 1 1 A 66 66 ARG C C 66 175.240 174.669 0.571 1 1 754 . 17 1 1 A 66 66 ARG CA C 66 54.560 54.473 0.087 1 1 755 . 17 1 1 A 66 66 ARG CB C 66 32.088 33.642 -1.554 1 1 758 . 17 1 1 A 66 66 ARG N N 66 122.633 121.030 1.603 1 1 759 . 17 1 1 A 67 67 ILE H H 67 8.967 8.892 0.075 1 1 760 . 17 1 1 A 67 67 ILE HA H 67 4.013 4.523 -0.510 1 1 770 . 17 1 1 A 67 67 ILE C C 67 174.026 174.814 -0.788 1 1 771 . 17 1 1 A 67 67 ILE CA C 67 60.377 59.740 0.637 1 1 772 . 17 1 1 A 67 67 ILE CB C 67 38.044 38.275 -0.231 1 1 776 . 17 1 1 A 67 67 ILE N N 67 128.560 126.489 2.071 1 1 777 . 17 1 1 A 68 68 ASP H H 68 8.117 8.485 -0.368 1 1 778 . 17 1 1 A 68 68 ASP HA H 68 5.060 5.255 -0.195 1 1 781 . 17 1 1 A 68 68 ASP C C 68 175.792 176.204 -0.412 1 1 782 . 17 1 1 A 68 68 ASP CA C 68 52.474 52.279 0.195 1 1 783 . 17 1 1 A 68 68 ASP CB C 68 44.116 44.084 0.032 1 1 784 . 17 1 1 A 68 68 ASP N N 68 125.243 126.126 -0.883 1 1 785 . 17 1 1 A 69 69 GLY H H 69 8.568 8.538 0.030 1 1 786 . 17 1 1 A 69 69 GLY HA2 H 69 3.951 3.960 -0.009 1 1 787 . 17 1 1 A 69 69 GLY HA3 H 69 3.830 3.961 -0.131 1 1 788 . 17 1 1 A 69 69 GLY C C 69 175.359 173.830 1.529 1 1 789 . 17 1 1 A 69 69 GLY CA C 69 46.356 45.421 0.935 1 1 790 . 17 1 1 A 69 69 GLY N N 69 105.736 111.113 -5.377 1 1 791 . 17 1 1 A 70 70 LEU H H 70 7.982 7.434 0.548 1 1 792 . 17 1 1 A 70 70 LEU HA H 70 4.356 4.818 -0.462 1 1 802 . 17 1 1 A 70 70 LEU C C 70 175.151 175.458 -0.307 1 1 803 . 17 1 1 A 70 70 LEU CA C 70 53.110 52.896 0.214 1 1 804 . 17 1 1 A 70 70 LEU CB C 70 40.992 44.596 -3.604 1 1 808 . 17 1 1 A 70 70 LEU N N 70 118.817 119.956 -1.139 1 1 809 . 17 1 1 A 71 71 ARG H H 71 8.148 8.725 -0.577 1 1 810 . 17 1 1 A 71 71 ARG HA H 71 4.922 4.801 0.121 1 1 817 . 17 1 1 A 71 71 ARG C C 71 174.419 173.857 0.562 1 1 818 . 17 1 1 A 71 71 ARG CA C 71 53.534 52.673 0.861 1 1 819 . 17 1 1 A 71 71 ARG CB C 71 32.001 31.667 0.334 1 1 822 . 17 1 1 A 71 71 ARG N N 71 118.182 120.026 -1.844 1 1 823 . 17 1 1 A 72 72 PRO HA H 72 5.168 4.349 0.819 1 1 830 . 17 1 1 A 72 72 PRO C C 72 178.121 177.635 0.486 1 1 831 . 17 1 1 A 72 72 PRO CA C 72 63.416 63.755 -0.339 1 1 832 . 17 1 1 A 72 72 PRO CB C 72 32.908 31.295 1.613 1 1 835 . 17 1 1 A 73 73 GLY H H 73 7.705 8.491 -0.786 1 1 836 . 17 1 1 A 73 73 GLY HA2 H 73 3.856 3.977 -0.121 1 1 837 . 17 1 1 A 73 73 GLY HA3 H 73 3.508 3.982 -0.474 1 1 838 . 17 1 1 A 73 73 GLY C C 73 173.685 173.582 0.103 1 1 839 . 17 1 1 A 73 73 GLY CA C 73 46.731 46.089 0.642 1 1 840 . 17 1 1 A 73 73 GLY N N 73 112.669 112.493 0.176 1 1 841 . 17 1 1 A 74 74 MET H H 74 7.511 7.685 -0.174 1 1 842 . 17 1 1 A 74 74 MET HA H 74 4.742 4.947 -0.205 1 1 850 . 17 1 1 A 74 74 MET C C 74 173.525 174.262 -0.737 1 1 851 . 17 1 1 A 74 74 MET CA C 74 53.216 54.503 -1.287 1 1 852 . 17 1 1 A 74 74 MET CB C 74 33.610 35.849 -2.239 1 1 855 . 17 1 1 A 74 74 MET N N 74 119.820 119.084 0.736 1 1 856 . 17 1 1 A 75 75 VAL H H 75 7.651 8.519 -0.868 1 1 857 . 17 1 1 A 75 75 VAL HA H 75 4.361 4.613 -0.252 1 1 865 . 17 1 1 A 75 75 VAL C C 75 174.677 174.564 0.113 1 1 866 . 17 1 1 A 75 75 VAL CA C 75 61.581 61.437 0.144 1 1 867 . 17 1 1 A 75 75 VAL CB C 75 32.345 32.560 -0.215 1 1 870 . 17 1 1 A 75 75 VAL N N 75 121.287 125.391 -4.104 1 1 871 . 17 1 1 A 76 76 TYR H H 76 9.405 9.263 0.142 1 1 872 . 17 1 1 A 76 76 TYR HA H 76 4.743 5.162 -0.419 1 1 879 . 17 1 1 A 76 76 TYR C C 76 174.740 174.658 0.082 1 1 880 . 17 1 1 A 76 76 TYR CA C 76 57.424 56.064 1.360 1 1 881 . 17 1 1 A 76 76 TYR CB C 76 41.151 41.847 -0.696 1 1 886 . 17 1 1 A 76 76 TYR N N 76 126.231 126.459 -0.228 1 1 887 . 17 1 1 A 77 77 VAL H H 77 8.867 9.085 -0.218 1 1 888 . 17 1 1 A 77 77 VAL HA H 77 4.318 4.597 -0.279 1 1 896 . 17 1 1 A 77 77 VAL C C 77 175.773 174.963 0.810 1 1 897 . 17 1 1 A 77 77 VAL CA C 77 61.473 61.720 -0.247 1 1 898 . 17 1 1 A 77 77 VAL CB C 77 31.218 31.183 0.035 1 1 901 . 17 1 1 A 77 77 VAL N N 77 123.699 123.457 0.242 1 1 902 . 17 1 1 A 78 78 VAL H H 78 8.683 8.531 0.152 1 1 903 . 17 1 1 A 78 78 VAL HA H 78 4.995 5.055 -0.060 1 1 911 . 17 1 1 A 78 78 VAL C C 78 175.275 174.887 0.388 1 1 912 . 17 1 1 A 78 78 VAL CA C 78 60.942 61.162 -0.220 1 1 913 . 17 1 1 A 78 78 VAL CB C 78 34.790 33.331 1.459 1 1 916 . 17 1 1 A 78 78 VAL N N 78 124.155 128.819 -4.664 1 1 917 . 17 1 1 A 79 79 GLN H H 79 8.613 8.617 -0.004 1 1 918 . 17 1 1 A 79 79 GLN HA H 79 4.511 5.092 -0.581 1 1 925 . 17 1 1 A 79 79 GLN C C 79 173.361 174.171 -0.810 1 1 926 . 17 1 1 A 79 79 GLN CA C 79 54.666 54.382 0.284 1 1 927 . 17 1 1 A 79 79 GLN CB C 79 36.751 33.125 3.626 1 1 929 . 17 1 1 A 79 79 GLN N N 79 121.693 122.879 -1.186 1 1 931 . 17 1 1 A 80 80 VAL H H 80 9.019 8.887 0.132 1 1 932 . 17 1 1 A 80 80 VAL HA H 80 5.801 5.215 0.586 1 1 940 . 17 1 1 A 80 80 VAL C C 80 174.526 174.030 0.496 1 1 941 . 17 1 1 A 80 80 VAL CA C 80 58.750 59.273 -0.523 1 1 942 . 17 1 1 A 80 80 VAL CB C 80 35.479 35.251 0.228 1 1 945 . 17 1 1 A 80 80 VAL N N 80 118.559 120.643 -2.084 1 1 946 . 17 1 1 A 81 81 ARG H H 81 9.199 8.868 0.331 1 1 947 . 17 1 1 A 81 81 ARG HA H 81 4.951 5.007 -0.056 1 1 955 . 17 1 1 A 81 81 ARG C C 81 172.660 174.291 -1.631 1 1 956 . 17 1 1 A 81 81 ARG CA C 81 54.295 53.517 0.778 1 1 957 . 17 1 1 A 81 81 ARG CB C 81 33.750 33.862 -0.112 1 1 960 . 17 1 1 A 81 81 ARG N N 81 125.225 126.130 -0.905 1 1 962 . 17 1 1 A 82 82 ALA H H 82 8.762 8.764 -0.002 1 1 963 . 17 1 1 A 82 82 ALA HA H 82 4.820 5.184 -0.364 1 1 967 . 17 1 1 A 82 82 ALA C C 82 174.783 175.330 -0.547 1 1 968 . 17 1 1 A 82 82 ALA CA C 82 50.741 50.221 0.520 1 1 969 . 17 1 1 A 82 82 ALA CB C 82 22.383 21.078 1.305 1 1 970 . 17 1 1 A 82 82 ALA N N 82 124.292 122.680 1.612 1 1 971 . 17 1 1 A 83 83 ARG H H 83 8.336 8.349 -0.013 1 1 972 . 17 1 1 A 83 83 ARG HA H 83 4.737 4.835 -0.098 1 1 980 . 17 1 1 A 83 83 ARG C C 83 175.290 175.346 -0.056 1 1 981 . 17 1 1 A 83 83 ARG CA C 83 55.727 54.549 1.178 1 1 982 . 17 1 1 A 83 83 ARG CB C 83 34.562 31.966 2.596 1 1 985 . 17 1 1 A 83 83 ARG N N 83 121.023 124.668 -3.645 1 1 987 . 17 1 1 A 84 84 THR H H 84 8.485 8.774 -0.289 1 1 988 . 17 1 1 A 84 84 THR HA H 84 4.875 4.848 0.027 1 1 993 . 17 1 1 A 84 84 THR C C 84 176.218 175.266 0.952 1 1 994 . 17 1 1 A 84 84 THR CA C 84 59.475 59.397 0.078 1 1 995 . 17 1 1 A 84 84 THR CB C 84 72.440 72.254 0.186 1 1 997 . 17 1 1 A 84 84 THR N N 84 116.374 117.255 -0.881 1 1 998 . 17 1 1 A 85 85 VAL H H 85 9.283 8.671 0.612 1 1 999 . 17 1 1 A 85 85 VAL HA H 85 3.794 3.851 -0.057 1 1 1007 . 17 1 1 A 85 85 VAL C C 85 175.930 177.181 -1.251 1 1 1008 . 17 1 1 A 85 85 VAL CA C 85 64.934 64.467 0.467 1 1 1009 . 17 1 1 A 85 85 VAL CB C 85 31.621 31.680 -0.059 1 1 1012 . 17 1 1 A 85 85 VAL N N 85 119.099 122.015 -2.916 1 1 1013 . 17 1 1 A 86 86 ALA H H 86 7.840 7.794 0.046 1 1 1014 . 17 1 1 A 86 86 ALA HA H 86 4.242 4.187 0.055 1 1 1018 . 17 1 1 A 86 86 ALA C C 86 177.467 177.326 0.141 1 1 1019 . 17 1 1 A 86 86 ALA CA C 86 52.774 53.272 -0.498 1 1 1020 . 17 1 1 A 86 86 ALA CB C 86 19.733 19.978 -0.245 1 1 1021 . 17 1 1 A 86 86 ALA N N 86 121.263 122.164 -0.901 1 1 1022 . 17 1 1 A 87 87 GLY H H 87 7.365 7.251 0.114 1 1 1023 . 17 1 1 A 87 87 GLY HA2 H 87 4.402 4.019 0.383 1 1 1024 . 17 1 1 A 87 87 GLY HA3 H 87 3.588 4.076 -0.488 1 1 1025 . 17 1 1 A 87 87 GLY C C 87 171.960 171.008 0.952 1 1 1026 . 17 1 1 A 87 87 GLY CA C 87 44.170 46.064 -1.894 1 1 1027 . 17 1 1 A 87 87 GLY N N 87 105.736 102.133 3.603 1 1 1028 . 17 1 1 A 88 88 TYR H H 88 8.444 8.606 -0.162 1 1 1029 . 17 1 1 A 88 88 TYR HA H 88 5.063 5.081 -0.018 1 1 1036 . 17 1 1 A 88 88 TYR C C 88 179.239 175.717 3.522 1 1 1037 . 17 1 1 A 88 88 TYR CA C 88 58.308 55.770 2.538 1 1 1038 . 17 1 1 A 88 88 TYR CB C 88 41.442 40.266 1.176 1 1 1043 . 17 1 1 A 88 88 TYR N N 88 116.996 120.400 -3.404 1 1 1044 . 17 1 1 A 89 89 GLY H H 89 8.676 8.524 0.152 1 1 1045 . 17 1 1 A 89 89 GLY HA2 H 89 4.324 4.088 0.236 1 1 1046 . 17 1 1 A 89 89 GLY HA3 H 89 3.973 4.107 -0.134 1 1 1047 . 17 1 1 A 89 89 GLY C C 89 173.844 173.492 0.352 1 1 1048 . 17 1 1 A 89 89 GLY CA C 89 43.916 44.520 -0.604 1 1 1049 . 17 1 1 A 89 89 GLY N N 89 107.850 112.269 -4.419 1 1 1050 . 17 1 1 A 90 90 LYS H H 90 8.711 8.226 0.485 1 1 1051 . 17 1 1 A 90 90 LYS HA H 90 4.166 4.094 0.072 1 1 1060 . 17 1 1 A 90 90 LYS C C 90 177.819 175.889 1.930 1 1 1061 . 17 1 1 A 90 90 LYS CA C 90 56.162 56.183 -0.021 1 1 1062 . 17 1 1 A 90 90 LYS CB C 90 32.730 32.648 0.082 1 1 1066 . 17 1 1 A 90 90 LYS N N 90 119.382 119.045 0.337 1 1 1067 . 17 1 1 A 91 91 PHE H H 91 8.698 8.669 0.029 1 1 1068 . 17 1 1 A 91 91 PHE HA H 91 4.241 4.908 -0.667 1 1 1076 . 17 1 1 A 91 91 PHE C C 91 176.805 176.027 0.778 1 1 1077 . 17 1 1 A 91 91 PHE CA C 91 61.027 58.407 2.620 1 1 1078 . 17 1 1 A 91 91 PHE CB C 91 39.995 39.517 0.478 1 1 1084 . 17 1 1 A 91 91 PHE N N 91 120.691 121.407 -0.716 1 1 1085 . 17 1 1 A 92 92 SER H H 92 8.311 9.008 -0.697 1 1 1086 . 17 1 1 A 92 92 SER HA H 92 4.259 4.739 -0.480 1 1 1089 . 17 1 1 A 92 92 SER C C 92 173.499 174.865 -1.366 1 1 1090 . 17 1 1 A 92 92 SER CA C 92 58.146 57.368 0.778 1 1 1091 . 17 1 1 A 92 92 SER CB C 92 65.329 64.818 0.511 1 1 1092 . 17 1 1 A 92 92 SER N N 92 115.098 116.246 -1.148 1 1 1093 . 17 1 1 A 93 93 GLY H H 93 8.869 8.566 0.303 1 1 1094 . 17 1 1 A 93 93 GLY HA2 H 93 4.071 3.939 0.132 1 1 1095 . 17 1 1 A 93 93 GLY HA3 H 93 3.780 3.951 -0.171 1 1 1096 . 17 1 1 A 93 93 GLY C C 93 174.375 174.345 0.030 1 1 1097 . 17 1 1 A 93 93 GLY CA C 93 45.331 46.335 -1.004 1 1 1098 . 17 1 1 A 93 93 GLY N N 93 106.252 108.907 -2.655 1 1 1099 . 17 1 1 A 94 94 LYS H H 94 8.619 8.400 0.219 1 1 1100 . 17 1 1 A 94 94 LYS HA H 94 3.633 4.154 -0.521 1 1 1109 . 17 1 1 A 94 94 LYS C C 94 176.004 175.517 0.487 1 1 1110 . 17 1 1 A 94 94 LYS CA C 94 59.068 56.520 2.548 1 1 1111 . 17 1 1 A 94 94 LYS CB C 94 33.072 32.651 0.421 1 1 1115 . 17 1 1 A 94 94 LYS N N 94 122.645 123.985 -1.340 1 1 1116 . 17 1 1 A 95 95 MET H H 95 7.547 8.026 -0.479 1 1 1117 . 17 1 1 A 95 95 MET HA H 95 4.520 4.986 -0.466 1 1 1125 . 17 1 1 A 95 95 MET C C 95 173.400 173.911 -0.511 1 1 1126 . 17 1 1 A 95 95 MET CA C 95 54.701 53.681 1.020 1 1 1127 . 17 1 1 A 95 95 MET CB C 95 37.784 35.402 2.382 1 1 1130 . 17 1 1 A 95 95 MET N N 95 122.392 120.851 1.541 1 1 1131 . 17 1 1 A 96 96 CYS H H 96 7.888 8.421 -0.533 1 1 1132 . 17 1 1 A 96 96 CYS HA H 96 5.465 4.955 0.510 1 1 1135 . 17 1 1 A 96 96 CYS C C 96 173.757 172.762 0.995 1 1 1136 . 17 1 1 A 96 96 CYS CA C 96 57.353 57.165 0.188 1 1 1137 . 17 1 1 A 96 96 CYS CB C 96 29.941 28.931 1.010 1 1 1138 . 17 1 1 A 96 96 CYS N N 96 117.124 122.448 -5.324 1 1 1139 . 17 1 1 A 97 97 PHE H H 97 9.133 9.085 0.048 1 1 1140 . 17 1 1 A 97 97 PHE HA H 97 4.879 5.195 -0.316 1 1 1148 . 17 1 1 A 97 97 PHE C C 97 173.309 174.543 -1.234 1 1 1149 . 17 1 1 A 97 97 PHE CA C 97 56.983 56.533 0.450 1 1 1150 . 17 1 1 A 97 97 PHE CB C 97 44.074 41.140 2.934 1 1 1156 . 17 1 1 A 97 97 PHE N N 97 121.239 124.315 -3.076 1 1 1157 . 17 1 1 A 98 98 GLN H H 98 8.884 8.938 -0.054 1 1 1158 . 17 1 1 A 98 98 GLN HA H 98 5.809 4.969 0.840 1 1 1165 . 17 1 1 A 98 98 GLN C C 98 176.454 176.211 0.243 1 1 1166 . 17 1 1 A 98 98 GLN CA C 98 54.125 54.622 -0.497 1 1 1167 . 17 1 1 A 98 98 GLN CB C 98 33.444 30.257 3.187 1 1 1169 . 17 1 1 A 98 98 GLN N N 98 120.699 124.475 -3.776 1 1 1171 . 17 1 1 A 99 99 THR H H 99 8.176 8.266 -0.090 1 1 1172 . 17 1 1 A 99 99 THR HA H 99 4.324 4.703 -0.379 1 1 1177 . 17 1 1 A 99 99 THR C C 99 175.929 174.488 1.441 1 1 1178 . 17 1 1 A 99 99 THR CA C 99 60.341 60.760 -0.419 1 1 1179 . 17 1 1 A 99 99 THR CB C 99 70.070 71.678 -1.608 1 1 1181 . 17 1 1 A 99 99 THR N N 99 112.214 116.279 -4.065 1 1 1182 . 17 1 1 A 100 100 LEU H H 100 7.368 8.303 -0.935 1 1 1183 . 17 1 1 A 100 100 LEU HA H 100 4.310 4.185 0.125 1 1 1193 . 17 1 1 A 100 100 LEU C C 100 177.359 176.496 0.863 1 1 1194 . 17 1 1 A 100 100 LEU CA C 100 54.790 55.453 -0.663 1 1 1195 . 17 1 1 A 100 100 LEU CB C 100 42.096 42.183 -0.087 1 1 1199 . 17 1 1 A 100 100 LEU N N 100 117.018 122.606 -5.588 1 1 1200 . 17 1 1 A 101 101 THR H H 101 7.997 8.680 -0.683 1 1 1201 . 17 1 1 A 101 101 THR HA H 101 4.123 5.147 -1.024 1 1 1206 . 17 1 1 A 101 101 THR C C 101 174.014 173.093 0.921 1 1 1207 . 17 1 1 A 101 101 THR CA C 101 61.968 60.774 1.194 1 1 1208 . 17 1 1 A 101 101 THR CB C 101 70.172 70.200 -0.028 1 1 1210 . 17 1 1 A 101 101 THR N N 101 110.428 117.554 -7.126 1 1 1211 . 17 1 1 A 102 102 ASP H H 102 8.320 8.888 -0.568 1 1 1212 . 17 1 1 A 102 102 ASP HA H 102 4.853 4.522 0.331 1 1 1215 . 17 1 1 A 102 102 ASP C C 102 176.204 177.077 -0.873 1 1 1216 . 17 1 1 A 102 102 ASP CA C 102 53.694 54.664 -0.970 1 1 1217 . 17 1 1 A 102 102 ASP CB C 102 41.808 41.732 0.076 1 1 1218 . 17 1 1 A 102 102 ASP N N 102 120.693 128.213 -7.520 1 1 1219 . 17 1 1 A 103 103 SER H H 103 8.294 8.958 -0.664 1 1 1220 . 17 1 1 A 103 103 SER HA H 103 4.486 4.215 0.271 1 1 1223 . 17 1 1 A 103 103 SER C C 103 174.875 174.148 0.727 1 1 1224 . 17 1 1 A 103 103 SER CA C 103 58.361 59.061 -0.700 1 1 1225 . 17 1 1 A 103 103 SER CB C 103 63.942 61.286 2.656 1 1 1226 . 17 1 1 A 103 103 SER N N 103 117.442 119.708 -2.266 1 1 1227 . 17 1 1 A 104 104 GLY H H 104 8.393 7.693 0.700 1 1 1228 . 17 1 1 A 104 104 GLY HA2 H 104 4.104 4.055 0.049 1 1 1229 . 17 1 1 A 104 104 GLY HA3 H 104 4.104 4.057 0.047 1 1 1230 . 17 1 1 A 104 104 GLY C C 104 172.016 173.069 -1.053 1 1 1231 . 17 1 1 A 104 104 GLY CA C 104 44.800 44.357 0.443 1 1 1232 . 17 1 1 A 104 104 GLY N N 104 111.065 109.833 1.232 1 1 1233 . 17 1 1 A 105 105 PRO HA H 105 4.475 4.671 -0.196 1 1 1240 . 17 1 1 A 105 105 PRO C C 105 177.464 175.843 1.621 1 1 1241 . 17 1 1 A 105 105 PRO CA C 105 63.329 62.756 0.573 1 1 1242 . 17 1 1 A 105 105 PRO CB C 105 32.249 33.172 -0.923 1 1 1245 . 17 1 1 A 106 106 SER H H 106 8.514 8.307 0.207 1 1 1246 . 17 1 1 A 106 106 SER HA H 106 4.512 5.229 -0.717 1 1 1249 . 17 1 1 A 106 106 SER C C 106 174.735 174.727 0.008 1 1 1250 . 17 1 1 A 106 106 SER CA C 106 58.361 56.784 1.577 1 1 1251 . 17 1 1 A 106 106 SER CB C 106 63.820 64.269 -0.449 1 1 1252 . 17 1 1 A 106 106 SER N N 106 116.429 116.294 0.135 1 1 1253 . 17 1 1 A 107 107 SER H H 107 8.329 8.904 -0.575 1 1 1254 . 17 1 1 A 107 107 SER HA H 107 4.512 3.935 0.577 1 1 1257 . 17 1 1 A 107 107 SER C C 107 174.004 176.696 -2.692 1 1 1258 . 17 1 1 A 107 107 SER CA C 107 58.414 62.562 -4.148 1 1 1259 . 17 1 1 A 107 107 SER CB C 107 64.014 62.664 1.350 1 1 1260 . 17 1 1 A 107 107 SER N N 107 117.919 121.944 -4.025 1 1 1 . 18 1 1 A 6 6 SER HA H 6 4.523 4.457 0.066 1 1 3 . 18 1 1 A 6 6 SER CA C 6 58.535 60.111 -1.576 1 1 4 . 18 1 1 A 6 6 SER CB C 6 64.106 62.977 1.129 1 1 5 . 18 1 1 A 7 7 GLY H H 7 8.202 8.798 -0.596 1 1 6 . 18 1 1 A 7 7 GLY HA2 H 7 3.881 4.159 -0.278 1 1 7 . 18 1 1 A 7 7 GLY HA3 H 7 3.740 4.162 -0.422 1 1 8 . 18 1 1 A 7 7 GLY CA C 7 44.322 43.882 0.440 1 1 9 . 18 1 1 A 7 7 GLY N N 7 109.573 113.834 -4.261 1 1 10 . 18 1 1 A 8 8 PRO HA H 8 4.641 4.438 0.203 1 1 17 . 18 1 1 A 8 8 PRO C C 8 176.480 176.798 -0.318 1 1 18 . 18 1 1 A 8 8 PRO CA C 8 62.582 62.810 -0.228 1 1 19 . 18 1 1 A 8 8 PRO CB C 8 32.331 32.048 0.283 1 1 22 . 18 1 1 A 9 9 SER H H 9 8.061 8.356 -0.295 1 1 23 . 18 1 1 A 9 9 SER HA H 9 4.374 4.477 -0.103 1 1 26 . 18 1 1 A 9 9 SER C C 9 173.090 173.652 -0.562 1 1 27 . 18 1 1 A 9 9 SER CA C 9 58.754 58.863 -0.109 1 1 28 . 18 1 1 A 9 9 SER CB C 9 63.667 63.835 -0.168 1 1 29 . 18 1 1 A 9 9 SER N N 9 115.137 117.762 -2.625 1 1 30 . 18 1 1 A 10 10 THR H H 10 8.359 8.505 -0.146 1 1 31 . 18 1 1 A 10 10 THR HA H 10 4.027 5.031 -1.004 1 1 36 . 18 1 1 A 10 10 THR C C 10 175.380 173.444 1.936 1 1 37 . 18 1 1 A 10 10 THR CA C 10 62.781 59.959 2.822 1 1 38 . 18 1 1 A 10 10 THR CB C 10 69.617 71.945 -2.328 1 1 40 . 18 1 1 A 10 10 THR N N 10 115.079 118.224 -3.145 1 1 41 . 18 1 1 A 11 11 VAL H H 11 9.280 8.601 0.679 1 1 42 . 18 1 1 A 11 11 VAL HA H 11 4.097 4.130 -0.033 1 1 50 . 18 1 1 A 11 11 VAL C C 11 175.706 176.310 -0.604 1 1 51 . 18 1 1 A 11 11 VAL CA C 11 61.518 61.509 0.009 1 1 52 . 18 1 1 A 11 11 VAL CB C 11 33.174 32.233 0.941 1 1 55 . 18 1 1 A 11 11 VAL N N 11 131.182 126.533 4.649 1 1 56 . 18 1 1 A 12 12 PRO HA H 12 4.415 4.476 -0.061 1 1 63 . 18 1 1 A 12 12 PRO C C 12 175.612 176.323 -0.711 1 1 64 . 18 1 1 A 12 12 PRO CA C 12 64.850 64.798 0.052 1 1 65 . 18 1 1 A 12 12 PRO CB C 12 32.578 32.276 0.302 1 1 68 . 18 1 1 A 13 13 ILE H H 13 7.251 7.521 -0.270 1 1 69 . 18 1 1 A 13 13 ILE HA H 13 4.439 4.623 -0.184 1 1 79 . 18 1 1 A 13 13 ILE C C 13 170.969 173.243 -2.274 1 1 80 . 18 1 1 A 13 13 ILE CA C 13 59.973 59.350 0.623 1 1 81 . 18 1 1 A 13 13 ILE CB C 13 40.776 41.755 -0.979 1 1 85 . 18 1 1 A 13 13 ILE N N 13 115.827 115.934 -0.107 1 1 86 . 18 1 1 A 14 14 MET H H 14 6.827 8.737 -1.910 1 1 87 . 18 1 1 A 14 14 MET HA H 14 4.961 5.329 -0.368 1 1 95 . 18 1 1 A 14 14 MET C C 14 173.380 174.912 -1.532 1 1 96 . 18 1 1 A 14 14 MET CA C 14 55.214 53.749 1.465 1 1 97 . 18 1 1 A 14 14 MET CB C 14 38.223 35.314 2.909 1 1 100 . 18 1 1 A 14 14 MET N N 14 116.754 125.841 -9.087 1 1 101 . 18 1 1 A 15 15 HIS H H 15 9.417 9.191 0.226 1 1 102 . 18 1 1 A 15 15 HIS HA H 15 4.958 5.242 -0.284 1 1 107 . 18 1 1 A 15 15 HIS C C 15 173.901 173.871 0.030 1 1 108 . 18 1 1 A 15 15 HIS CA C 15 55.190 54.211 0.979 1 1 109 . 18 1 1 A 15 15 HIS CB C 15 33.361 33.333 0.028 1 1 112 . 18 1 1 A 15 15 HIS N N 15 118.539 118.806 -0.267 1 1 113 . 18 1 1 A 16 16 GLN H H 16 9.164 8.944 0.220 1 1 114 . 18 1 1 A 16 16 GLN HA H 16 4.385 4.484 -0.099 1 1 121 . 18 1 1 A 16 16 GLN C C 16 175.463 175.197 0.266 1 1 122 . 18 1 1 A 16 16 GLN CA C 16 55.992 55.282 0.710 1 1 123 . 18 1 1 A 16 16 GLN CB C 16 29.159 30.465 -1.306 1 1 125 . 18 1 1 A 16 16 GLN N N 16 123.267 124.449 -1.182 1 1 127 . 18 1 1 A 17 17 VAL H H 17 8.983 9.013 -0.030 1 1 128 . 18 1 1 A 17 17 VAL HA H 17 3.910 4.131 -0.221 1 1 136 . 18 1 1 A 17 17 VAL C C 17 176.328 176.143 0.185 1 1 137 . 18 1 1 A 17 17 VAL CA C 17 63.807 63.516 0.291 1 1 138 . 18 1 1 A 17 17 VAL CB C 17 33.088 32.910 0.178 1 1 141 . 18 1 1 A 17 17 VAL N N 17 128.880 127.310 1.570 1 1 142 . 18 1 1 A 18 18 SER H H 18 7.740 7.831 -0.091 1 1 143 . 18 1 1 A 18 18 SER HA H 18 4.589 4.804 -0.215 1 1 146 . 18 1 1 A 18 18 SER C C 18 171.965 172.555 -0.590 1 1 147 . 18 1 1 A 18 18 SER CA C 18 57.441 57.562 -0.121 1 1 148 . 18 1 1 A 18 18 SER CB C 18 64.058 65.614 -1.556 1 1 149 . 18 1 1 A 18 18 SER N N 18 110.447 111.600 -1.153 1 1 150 . 18 1 1 A 19 19 ALA H H 19 8.114 8.432 -0.318 1 1 151 . 18 1 1 A 19 19 ALA HA H 19 5.086 4.962 0.124 1 1 155 . 18 1 1 A 19 19 ALA C C 19 176.404 176.190 0.214 1 1 156 . 18 1 1 A 19 19 ALA CA C 19 52.453 51.553 0.900 1 1 157 . 18 1 1 A 19 19 ALA CB C 19 23.038 23.313 -0.275 1 1 158 . 18 1 1 A 19 19 ALA N N 19 121.116 121.747 -0.631 1 1 159 . 18 1 1 A 20 20 THR H H 20 8.710 8.740 -0.030 1 1 160 . 18 1 1 A 20 20 THR HA H 20 4.787 4.912 -0.125 1 1 165 . 18 1 1 A 20 20 THR C C 20 175.596 174.881 0.715 1 1 166 . 18 1 1 A 20 20 THR CA C 20 60.341 59.873 0.468 1 1 167 . 18 1 1 A 20 20 THR CB C 20 71.307 71.295 0.012 1 1 169 . 18 1 1 A 20 20 THR N N 20 110.762 110.901 -0.139 1 1 170 . 18 1 1 A 21 21 MET H H 21 8.686 8.754 -0.068 1 1 171 . 18 1 1 A 21 21 MET HA H 21 4.618 4.378 0.240 1 1 179 . 18 1 1 A 21 21 MET C C 21 174.754 176.803 -2.049 1 1 180 . 18 1 1 A 21 21 MET CA C 21 59.272 57.685 1.587 1 1 181 . 18 1 1 A 21 21 MET CB C 21 34.488 32.844 1.644 1 1 184 . 18 1 1 A 21 21 MET N N 21 118.478 120.145 -1.667 1 1 185 . 18 1 1 A 22 22 ARG H H 22 7.296 7.671 -0.375 1 1 186 . 18 1 1 A 22 22 ARG HA H 22 4.453 4.496 -0.043 1 1 193 . 18 1 1 A 22 22 ARG C C 22 174.722 175.018 -0.296 1 1 194 . 18 1 1 A 22 22 ARG CA C 22 54.218 55.351 -1.133 1 1 195 . 18 1 1 A 22 22 ARG CB C 22 32.509 31.279 1.230 1 1 198 . 18 1 1 A 22 22 ARG N N 22 108.176 116.581 -8.405 1 1 199 . 18 1 1 A 23 23 SER H H 23 7.387 7.779 -0.392 1 1 200 . 18 1 1 A 23 23 SER HA H 23 5.353 5.114 0.239 1 1 203 . 18 1 1 A 23 23 SER C C 23 171.910 172.423 -0.513 1 1 204 . 18 1 1 A 23 23 SER CA C 23 57.230 57.470 -0.240 1 1 205 . 18 1 1 A 23 23 SER CB C 23 68.011 67.124 0.887 1 1 206 . 18 1 1 A 23 23 SER N N 23 114.861 113.964 0.897 1 1 207 . 18 1 1 A 24 24 ILE H H 24 8.061 8.485 -0.424 1 1 208 . 18 1 1 A 24 24 ILE HA H 24 4.470 4.788 -0.318 1 1 218 . 18 1 1 A 24 24 ILE C C 24 174.028 174.651 -0.623 1 1 219 . 18 1 1 A 24 24 ILE CA C 24 61.402 59.964 1.438 1 1 220 . 18 1 1 A 24 24 ILE CB C 24 43.249 42.252 0.997 1 1 224 . 18 1 1 A 24 24 ILE N N 24 116.152 121.498 -5.346 1 1 225 . 18 1 1 A 25 25 THR H H 25 8.584 8.943 -0.359 1 1 226 . 18 1 1 A 25 25 THR HA H 25 5.107 5.056 0.051 1 1 231 . 18 1 1 A 25 25 THR C C 25 173.463 173.245 0.218 1 1 232 . 18 1 1 A 25 25 THR CA C 25 62.127 61.484 0.643 1 1 233 . 18 1 1 A 25 25 THR CB C 25 68.954 70.689 -1.735 1 1 235 . 18 1 1 A 25 25 THR N N 25 122.080 122.526 -0.446 1 1 236 . 18 1 1 A 26 26 LEU H H 26 9.093 8.473 0.620 1 1 237 . 18 1 1 A 26 26 LEU HA H 26 5.427 5.051 0.376 1 1 247 . 18 1 1 A 26 26 LEU C C 26 175.180 175.327 -0.147 1 1 248 . 18 1 1 A 26 26 LEU CA C 26 53.181 53.371 -0.190 1 1 249 . 18 1 1 A 26 26 LEU CB C 26 46.902 46.843 0.059 1 1 253 . 18 1 1 A 26 26 LEU N N 26 128.231 126.278 1.953 1 1 254 . 18 1 1 A 27 27 SER H H 27 9.260 9.006 0.254 1 1 255 . 18 1 1 A 27 27 SER HA H 27 4.757 4.891 -0.134 1 1 258 . 18 1 1 A 27 27 SER C C 27 172.413 172.800 -0.387 1 1 259 . 18 1 1 A 27 27 SER CA C 27 56.912 56.983 -0.071 1 1 260 . 18 1 1 A 27 27 SER CB C 27 66.220 65.915 0.305 1 1 261 . 18 1 1 A 27 27 SER N N 27 115.325 114.993 0.332 1 1 262 . 18 1 1 A 28 28 TRP H H 28 7.430 7.950 -0.520 1 1 263 . 18 1 1 A 28 28 TRP HA H 28 5.212 5.635 -0.423 1 1 272 . 18 1 1 A 28 28 TRP C C 28 171.555 173.502 -1.947 1 1 273 . 18 1 1 A 28 28 TRP CA C 28 55.143 54.508 0.635 1 1 274 . 18 1 1 A 28 28 TRP CB C 28 28.918 32.458 -3.540 1 1 280 . 18 1 1 A 28 28 TRP N N 28 119.703 122.989 -3.286 1 1 282 . 18 1 1 A 29 29 PRO HA H 29 4.543 4.527 0.016 1 1 289 . 18 1 1 A 29 29 PRO C C 29 175.962 176.475 -0.513 1 1 290 . 18 1 1 A 29 29 PRO CA C 29 61.702 63.026 -1.324 1 1 291 . 18 1 1 A 29 29 PRO CB C 29 32.041 31.971 0.070 1 1 294 . 18 1 1 A 30 30 GLN H H 30 8.248 8.532 -0.284 1 1 295 . 18 1 1 A 30 30 GLN HA H 30 4.654 4.547 0.107 1 1 302 . 18 1 1 A 30 30 GLN C C 30 174.856 175.104 -0.248 1 1 303 . 18 1 1 A 30 30 GLN CA C 30 54.524 53.989 0.535 1 1 304 . 18 1 1 A 30 30 GLN CB C 30 28.623 29.488 -0.865 1 1 306 . 18 1 1 A 30 30 GLN N N 30 117.321 121.520 -4.199 1 1 308 . 18 1 1 A 31 31 PRO HA H 31 4.116 4.799 -0.683 1 1 315 . 18 1 1 A 31 31 PRO C C 31 175.787 176.871 -1.084 1 1 316 . 18 1 1 A 31 31 PRO CA C 31 63.364 62.904 0.460 1 1 317 . 18 1 1 A 31 31 PRO CB C 31 32.503 33.601 -1.098 1 1 320 . 18 1 1 A 32 32 GLU H H 32 8.367 9.072 -0.705 1 1 321 . 18 1 1 A 32 32 GLU HA H 32 4.004 4.605 -0.601 1 1 326 . 18 1 1 A 32 32 GLU C C 32 176.748 176.904 -0.156 1 1 327 . 18 1 1 A 32 32 GLU CA C 32 58.644 56.672 1.972 1 1 328 . 18 1 1 A 32 32 GLU CB C 32 30.271 31.375 -1.104 1 1 330 . 18 1 1 A 32 32 GLU N N 32 122.959 119.328 3.631 1 1 331 . 18 1 1 A 33 33 GLN H H 33 8.220 7.746 0.474 1 1 332 . 18 1 1 A 33 33 GLN HA H 33 4.820 4.844 -0.024 1 1 339 . 18 1 1 A 33 33 GLN C C 33 172.938 174.344 -1.406 1 1 340 . 18 1 1 A 33 33 GLN CA C 33 52.544 53.589 -1.045 1 1 341 . 18 1 1 A 33 33 GLN CB C 33 29.077 29.113 -0.036 1 1 343 . 18 1 1 A 33 33 GLN N N 33 116.413 119.129 -2.716 1 1 345 . 18 1 1 A 34 34 PRO HA H 34 4.039 4.430 -0.391 1 1 352 . 18 1 1 A 34 34 PRO C C 34 175.293 176.649 -1.356 1 1 353 . 18 1 1 A 34 34 PRO CA C 34 64.248 63.673 0.575 1 1 354 . 18 1 1 A 34 34 PRO CB C 34 31.974 32.133 -0.159 1 1 357 . 18 1 1 A 35 35 ASN H H 35 8.478 8.107 0.371 1 1 358 . 18 1 1 A 35 35 ASN HA H 35 4.270 4.400 -0.130 1 1 363 . 18 1 1 A 35 35 ASN C C 35 173.982 174.466 -0.484 1 1 364 . 18 1 1 A 35 35 ASN CA C 35 53.655 54.568 -0.913 1 1 365 . 18 1 1 A 35 35 ASN CB C 35 37.151 36.811 0.340 1 1 366 . 18 1 1 A 35 35 ASN N N 35 111.907 115.125 -3.218 1 1 368 . 18 1 1 A 36 36 GLY H H 36 7.537 8.021 -0.484 1 1 369 . 18 1 1 A 36 36 GLY HA2 H 36 4.247 4.005 0.242 1 1 370 . 18 1 1 A 36 36 GLY HA3 H 36 3.749 4.013 -0.264 1 1 371 . 18 1 1 A 36 36 GLY C C 36 172.062 172.692 -0.630 1 1 372 . 18 1 1 A 36 36 GLY CA C 36 44.147 44.903 -0.756 1 1 373 . 18 1 1 A 36 36 GLY N N 36 105.149 107.023 -1.874 1 1 374 . 18 1 1 A 37 37 ILE H H 37 8.107 8.550 -0.443 1 1 375 . 18 1 1 A 37 37 ILE HA H 37 4.017 3.991 0.026 1 1 385 . 18 1 1 A 37 37 ILE C C 37 176.534 175.218 1.316 1 1 386 . 18 1 1 A 37 37 ILE CA C 37 60.331 62.311 -1.980 1 1 387 . 18 1 1 A 37 37 ILE CB C 37 38.929 37.920 1.009 1 1 391 . 18 1 1 A 37 37 ILE N N 37 120.104 121.551 -1.447 1 1 392 . 18 1 1 A 38 38 ILE H H 38 8.678 8.787 -0.109 1 1 393 . 18 1 1 A 38 38 ILE HA H 38 3.695 4.340 -0.645 1 1 403 . 18 1 1 A 38 38 ILE C C 38 176.027 175.315 0.712 1 1 404 . 18 1 1 A 38 38 ILE CA C 38 61.811 60.474 1.337 1 1 405 . 18 1 1 A 38 38 ILE CB C 38 37.028 38.029 -1.001 1 1 409 . 18 1 1 A 38 38 ILE N N 38 127.591 126.140 1.451 1 1 410 . 18 1 1 A 39 39 LEU H H 39 9.054 8.561 0.493 1 1 411 . 18 1 1 A 39 39 LEU HA H 39 4.188 4.136 0.052 1 1 421 . 18 1 1 A 39 39 LEU C C 39 176.826 176.354 0.472 1 1 422 . 18 1 1 A 39 39 LEU CA C 39 56.416 56.823 -0.407 1 1 423 . 18 1 1 A 39 39 LEU CB C 39 42.664 42.406 0.258 1 1 427 . 18 1 1 A 39 39 LEU N N 39 130.577 129.083 1.494 1 1 428 . 18 1 1 A 40 40 ASP H H 40 7.502 7.600 -0.098 1 1 429 . 18 1 1 A 40 40 ASP HA H 40 4.392 4.983 -0.591 1 1 432 . 18 1 1 A 40 40 ASP C C 40 171.781 173.569 -1.788 1 1 433 . 18 1 1 A 40 40 ASP CA C 40 52.884 52.888 -0.004 1 1 434 . 18 1 1 A 40 40 ASP CB C 40 41.985 44.761 -2.776 1 1 435 . 18 1 1 A 40 40 ASP N N 40 112.731 115.509 -2.778 1 1 436 . 18 1 1 A 41 41 TYR H H 41 8.974 8.643 0.331 1 1 437 . 18 1 1 A 41 41 TYR HA H 41 5.379 5.402 -0.023 1 1 444 . 18 1 1 A 41 41 TYR C C 41 175.555 174.897 0.658 1 1 445 . 18 1 1 A 41 41 TYR CA C 41 56.574 56.851 -0.277 1 1 446 . 18 1 1 A 41 41 TYR CB C 41 42.213 41.433 0.780 1 1 449 . 18 1 1 A 41 41 TYR N N 41 111.324 118.509 -7.185 1 1 450 . 18 1 1 A 42 42 GLU H H 42 9.184 8.684 0.500 1 1 451 . 18 1 1 A 42 42 GLU HA H 42 5.066 4.954 0.112 1 1 456 . 18 1 1 A 42 42 GLU C C 42 174.368 175.257 -0.889 1 1 457 . 18 1 1 A 42 42 GLU CA C 42 55.126 55.584 -0.458 1 1 458 . 18 1 1 A 42 42 GLU CB C 42 33.471 31.640 1.831 1 1 460 . 18 1 1 A 42 42 GLU N N 42 120.875 124.476 -3.601 1 1 461 . 18 1 1 A 43 43 ILE H H 43 9.355 9.404 -0.049 1 1 462 . 18 1 1 A 43 43 ILE HA H 43 4.853 5.283 -0.430 1 1 472 . 18 1 1 A 43 43 ILE C C 43 174.430 174.347 0.083 1 1 473 . 18 1 1 A 43 43 ILE CA C 43 60.323 60.428 -0.105 1 1 474 . 18 1 1 A 43 43 ILE CB C 43 40.297 40.276 0.021 1 1 478 . 18 1 1 A 43 43 ILE N N 43 126.045 127.358 -1.313 1 1 479 . 18 1 1 A 44 44 ARG H H 44 9.097 9.275 -0.178 1 1 480 . 18 1 1 A 44 44 ARG HA H 44 5.545 5.490 0.055 1 1 487 . 18 1 1 A 44 44 ARG C C 44 175.523 174.349 1.174 1 1 488 . 18 1 1 A 44 44 ARG CA C 44 54.386 54.397 -0.011 1 1 489 . 18 1 1 A 44 44 ARG CB C 44 34.638 33.019 1.619 1 1 492 . 18 1 1 A 44 44 ARG N N 44 127.831 129.535 -1.704 1 1 493 . 18 1 1 A 45 45 TYR H H 45 8.893 8.354 0.539 1 1 494 . 18 1 1 A 45 45 TYR HA H 45 6.272 6.093 0.179 1 1 501 . 18 1 1 A 45 45 TYR C C 45 173.560 173.198 0.362 1 1 502 . 18 1 1 A 45 45 TYR CA C 45 54.767 55.408 -0.641 1 1 503 . 18 1 1 A 45 45 TYR CB C 45 43.168 42.391 0.777 1 1 508 . 18 1 1 A 45 45 TYR N N 45 123.683 123.321 0.362 1 1 509 . 18 1 1 A 46 46 TYR H H 46 8.479 8.432 0.047 1 1 510 . 18 1 1 A 46 46 TYR HA H 46 5.048 5.264 -0.216 1 1 517 . 18 1 1 A 46 46 TYR C C 46 173.870 174.463 -0.593 1 1 518 . 18 1 1 A 46 46 TYR CA C 46 55.485 55.489 -0.004 1 1 519 . 18 1 1 A 46 46 TYR CB C 46 39.975 41.521 -1.546 1 1 524 . 18 1 1 A 46 46 TYR N N 46 114.778 117.674 -2.896 1 1 525 . 18 1 1 A 47 47 GLU H H 47 9.111 8.699 0.412 1 1 526 . 18 1 1 A 47 47 GLU HA H 47 3.819 4.090 -0.271 1 1 531 . 18 1 1 A 47 47 GLU C C 47 177.764 177.799 -0.035 1 1 532 . 18 1 1 A 47 47 GLU CA C 47 57.123 57.127 -0.004 1 1 533 . 18 1 1 A 47 47 GLU CB C 47 29.773 29.814 -0.041 1 1 535 . 18 1 1 A 47 47 GLU N N 47 122.069 122.173 -0.104 1 1 536 . 18 1 1 A 48 48 LYS H H 48 8.246 8.551 -0.305 1 1 537 . 18 1 1 A 48 48 LYS HA H 48 3.722 3.872 -0.150 1 1 546 . 18 1 1 A 48 48 LYS C C 48 176.588 178.346 -1.758 1 1 547 . 18 1 1 A 48 48 LYS CA C 48 59.774 60.034 -0.260 1 1 548 . 18 1 1 A 48 48 LYS CB C 48 33.032 32.135 0.897 1 1 552 . 18 1 1 A 48 48 LYS N N 48 122.857 125.658 -2.801 1 1 553 . 18 1 1 A 49 49 GLU H H 49 8.192 7.887 0.305 1 1 554 . 18 1 1 A 49 49 GLU HA H 49 4.216 4.266 -0.050 1 1 559 . 18 1 1 A 49 49 GLU C C 49 176.987 177.502 -0.515 1 1 560 . 18 1 1 A 49 49 GLU CA C 49 57.447 59.061 -1.614 1 1 561 . 18 1 1 A 49 49 GLU CB C 49 28.987 29.993 -1.006 1 1 563 . 18 1 1 A 49 49 GLU N N 49 114.305 118.215 -3.910 1 1 564 . 18 1 1 A 50 50 HIS H H 50 8.329 8.185 0.144 1 1 565 . 18 1 1 A 50 50 HIS HA H 50 4.928 4.794 0.134 1 1 570 . 18 1 1 A 50 50 HIS C C 50 173.255 174.850 -1.595 1 1 571 . 18 1 1 A 50 50 HIS CA C 50 54.372 56.516 -2.144 1 1 572 . 18 1 1 A 50 50 HIS CB C 50 31.082 31.495 -0.413 1 1 575 . 18 1 1 A 50 50 HIS N N 50 120.021 117.666 2.355 1 1 576 . 18 1 1 A 51 51 ASN H H 51 7.687 8.504 -0.817 1 1 577 . 18 1 1 A 51 51 ASN HA H 51 4.259 4.716 -0.457 1 1 582 . 18 1 1 A 51 51 ASN C C 51 174.779 176.324 -1.545 1 1 583 . 18 1 1 A 51 51 ASN CA C 51 52.561 50.541 2.020 1 1 584 . 18 1 1 A 51 51 ASN CB C 51 39.474 39.985 -0.511 1 1 585 . 18 1 1 A 51 51 ASN N N 51 114.158 117.824 -3.666 1 1 587 . 18 1 1 A 52 52 GLU H H 52 8.551 8.601 -0.050 1 1 588 . 18 1 1 A 52 52 GLU HA H 52 2.797 3.589 -0.792 1 1 593 . 18 1 1 A 52 52 GLU C C 52 177.117 178.721 -1.604 1 1 594 . 18 1 1 A 52 52 GLU CA C 52 58.155 59.160 -1.005 1 1 595 . 18 1 1 A 52 52 GLU CB C 52 28.912 29.402 -0.490 1 1 597 . 18 1 1 A 52 52 GLU N N 52 117.019 118.167 -1.148 1 1 598 . 18 1 1 A 53 53 PHE H H 53 7.855 8.351 -0.496 1 1 599 . 18 1 1 A 53 53 PHE HA H 53 4.371 4.021 0.350 1 1 607 . 18 1 1 A 53 53 PHE C C 53 175.783 177.037 -1.254 1 1 608 . 18 1 1 A 53 53 PHE CA C 53 58.785 61.862 -3.077 1 1 609 . 18 1 1 A 53 53 PHE CB C 53 37.747 39.079 -1.332 1 1 615 . 18 1 1 A 53 53 PHE N N 53 119.462 121.042 -1.580 1 1 616 . 18 1 1 A 54 54 ASN H H 54 7.744 7.625 0.119 1 1 617 . 18 1 1 A 54 54 ASN HA H 54 4.948 4.902 0.046 1 1 622 . 18 1 1 A 54 54 ASN C C 54 173.922 173.830 0.092 1 1 623 . 18 1 1 A 54 54 ASN CA C 54 52.102 52.615 -0.513 1 1 624 . 18 1 1 A 54 54 ASN CB C 54 38.637 36.749 1.888 1 1 625 . 18 1 1 A 54 54 ASN N N 54 120.451 115.861 4.590 1 1 627 . 18 1 1 A 55 55 SER H H 55 7.469 7.845 -0.376 1 1 628 . 18 1 1 A 55 55 SER HA H 55 4.710 5.232 -0.522 1 1 631 . 18 1 1 A 55 55 SER C C 55 173.922 172.853 1.069 1 1 632 . 18 1 1 A 55 55 SER CA C 55 57.883 56.160 1.723 1 1 633 . 18 1 1 A 55 55 SER CB C 55 66.064 65.712 0.352 1 1 634 . 18 1 1 A 55 55 SER N N 55 113.429 114.002 -0.573 1 1 635 . 18 1 1 A 56 56 SER H H 56 8.458 8.905 -0.447 1 1 636 . 18 1 1 A 56 56 SER HA H 56 4.632 5.261 -0.629 1 1 639 . 18 1 1 A 56 56 SER C C 56 171.119 172.440 -1.321 1 1 640 . 18 1 1 A 56 56 SER CA C 56 57.866 55.920 1.946 1 1 641 . 18 1 1 A 56 56 SER CB C 56 65.164 66.175 -1.011 1 1 642 . 18 1 1 A 56 56 SER N N 56 116.653 117.107 -0.454 1 1 643 . 18 1 1 A 57 57 MET H H 57 8.355 8.703 -0.348 1 1 644 . 18 1 1 A 57 57 MET HA H 57 5.776 5.562 0.214 1 1 652 . 18 1 1 A 57 57 MET C C 57 175.771 174.601 1.170 1 1 653 . 18 1 1 A 57 57 MET CA C 57 53.913 54.550 -0.637 1 1 654 . 18 1 1 A 57 57 MET CB C 57 36.115 37.144 -1.029 1 1 657 . 18 1 1 A 57 57 MET N N 57 119.463 121.308 -1.845 1 1 658 . 18 1 1 A 58 58 ALA H H 58 9.547 9.241 0.306 1 1 659 . 18 1 1 A 58 58 ALA HA H 58 4.890 5.319 -0.429 1 1 663 . 18 1 1 A 58 58 ALA C C 58 175.328 175.990 -0.662 1 1 664 . 18 1 1 A 58 58 ALA CA C 58 50.829 50.688 0.141 1 1 665 . 18 1 1 A 58 58 ALA CB C 58 22.649 23.887 -1.238 1 1 666 . 18 1 1 A 58 58 ALA N N 58 127.410 123.621 3.789 1 1 667 . 18 1 1 A 59 59 ARG H H 59 8.776 8.789 -0.013 1 1 668 . 18 1 1 A 59 59 ARG HA H 59 5.567 5.185 0.382 1 1 675 . 18 1 1 A 59 59 ARG C C 59 176.336 175.355 0.981 1 1 676 . 18 1 1 A 59 59 ARG CA C 59 54.843 54.764 0.079 1 1 677 . 18 1 1 A 59 59 ARG CB C 59 33.691 33.171 0.520 1 1 680 . 18 1 1 A 59 59 ARG N N 59 119.945 119.910 0.035 1 1 681 . 18 1 1 A 60 60 SER H H 60 8.919 8.438 0.481 1 1 682 . 18 1 1 A 60 60 SER HA H 60 5.011 5.238 -0.227 1 1 685 . 18 1 1 A 60 60 SER C C 60 174.614 173.810 0.804 1 1 686 . 18 1 1 A 60 60 SER CA C 60 56.752 56.871 -0.119 1 1 687 . 18 1 1 A 60 60 SER CB C 60 66.198 65.303 0.895 1 1 688 . 18 1 1 A 60 60 SER N N 60 115.274 116.589 -1.315 1 1 689 . 18 1 1 A 61 61 GLN H H 61 9.367 8.719 0.648 1 1 690 . 18 1 1 A 61 61 GLN HA H 61 4.556 4.618 -0.062 1 1 697 . 18 1 1 A 61 61 GLN C C 61 175.391 175.176 0.215 1 1 698 . 18 1 1 A 61 61 GLN CA C 61 57.664 56.487 1.177 1 1 699 . 18 1 1 A 61 61 GLN CB C 61 29.763 29.258 0.505 1 1 701 . 18 1 1 A 61 61 GLN N N 61 124.808 124.524 0.284 1 1 703 . 18 1 1 A 62 62 THR H H 62 8.075 7.627 0.448 1 1 704 . 18 1 1 A 62 62 THR HA H 62 4.918 4.644 0.274 1 1 709 . 18 1 1 A 62 62 THR C C 62 173.106 172.821 0.285 1 1 710 . 18 1 1 A 62 62 THR CA C 62 59.369 60.386 -1.017 1 1 711 . 18 1 1 A 62 62 THR CB C 62 70.607 69.876 0.731 1 1 713 . 18 1 1 A 62 62 THR N N 62 110.260 113.985 -3.725 1 1 714 . 18 1 1 A 63 63 ASN H H 63 8.575 8.408 0.167 1 1 715 . 18 1 1 A 63 63 ASN HA H 63 3.457 3.944 -0.487 1 1 720 . 18 1 1 A 63 63 ASN C C 63 172.343 173.475 -1.132 1 1 721 . 18 1 1 A 63 63 ASN CA C 63 53.270 52.689 0.581 1 1 722 . 18 1 1 A 63 63 ASN CB C 63 34.441 38.584 -4.143 1 1 723 . 18 1 1 A 63 63 ASN N N 63 119.090 120.861 -1.771 1 1 725 . 18 1 1 A 64 64 THR H H 64 6.850 7.236 -0.386 1 1 726 . 18 1 1 A 64 64 THR HA H 64 4.296 4.052 0.244 1 1 731 . 18 1 1 A 64 64 THR C C 64 172.238 171.911 0.327 1 1 732 . 18 1 1 A 64 64 THR CA C 64 60.501 60.616 -0.115 1 1 733 . 18 1 1 A 64 64 THR CB C 64 71.252 71.344 -0.092 1 1 735 . 18 1 1 A 64 64 THR N N 64 111.612 113.943 -2.331 1 1 736 . 18 1 1 A 65 65 ALA H H 65 8.619 8.843 -0.224 1 1 737 . 18 1 1 A 65 65 ALA HA H 65 4.595 5.030 -0.435 1 1 741 . 18 1 1 A 65 65 ALA C C 65 174.046 174.726 -0.680 1 1 742 . 18 1 1 A 65 65 ALA CA C 65 52.102 51.418 0.684 1 1 743 . 18 1 1 A 65 65 ALA CB C 65 22.427 23.295 -0.868 1 1 744 . 18 1 1 A 65 65 ALA N N 65 124.370 129.576 -5.206 1 1 745 . 18 1 1 A 66 66 ARG H H 66 8.533 8.766 -0.233 1 1 746 . 18 1 1 A 66 66 ARG HA H 66 4.973 5.389 -0.416 1 1 753 . 18 1 1 A 66 66 ARG C C 66 175.240 174.748 0.492 1 1 754 . 18 1 1 A 66 66 ARG CA C 66 54.560 54.515 0.045 1 1 755 . 18 1 1 A 66 66 ARG CB C 66 32.088 33.042 -0.954 1 1 758 . 18 1 1 A 66 66 ARG N N 66 122.633 121.709 0.924 1 1 759 . 18 1 1 A 67 67 ILE H H 67 8.967 8.892 0.075 1 1 760 . 18 1 1 A 67 67 ILE HA H 67 4.013 4.230 -0.217 1 1 770 . 18 1 1 A 67 67 ILE C C 67 174.026 175.267 -1.241 1 1 771 . 18 1 1 A 67 67 ILE CA C 67 60.377 60.184 0.193 1 1 772 . 18 1 1 A 67 67 ILE CB C 67 38.044 37.614 0.430 1 1 776 . 18 1 1 A 67 67 ILE N N 67 128.560 127.540 1.020 1 1 777 . 18 1 1 A 68 68 ASP H H 68 8.117 8.466 -0.349 1 1 778 . 18 1 1 A 68 68 ASP HA H 68 5.060 5.526 -0.466 1 1 781 . 18 1 1 A 68 68 ASP C C 68 175.792 176.014 -0.222 1 1 782 . 18 1 1 A 68 68 ASP CA C 68 52.474 52.410 0.064 1 1 783 . 18 1 1 A 68 68 ASP CB C 68 44.116 43.745 0.371 1 1 784 . 18 1 1 A 68 68 ASP N N 68 125.243 126.146 -0.903 1 1 785 . 18 1 1 A 69 69 GLY H H 69 8.568 8.415 0.153 1 1 786 . 18 1 1 A 69 69 GLY HA2 H 69 3.951 3.920 0.031 1 1 787 . 18 1 1 A 69 69 GLY HA3 H 69 3.830 3.921 -0.091 1 1 788 . 18 1 1 A 69 69 GLY C C 69 175.359 173.893 1.466 1 1 789 . 18 1 1 A 69 69 GLY CA C 69 46.356 46.535 -0.179 1 1 790 . 18 1 1 A 69 69 GLY N N 69 105.736 110.919 -5.183 1 1 791 . 18 1 1 A 70 70 LEU H H 70 7.982 7.181 0.801 1 1 792 . 18 1 1 A 70 70 LEU HA H 70 4.356 4.771 -0.415 1 1 802 . 18 1 1 A 70 70 LEU C C 70 175.151 175.333 -0.182 1 1 803 . 18 1 1 A 70 70 LEU CA C 70 53.110 52.972 0.138 1 1 804 . 18 1 1 A 70 70 LEU CB C 70 40.992 45.217 -4.225 1 1 808 . 18 1 1 A 70 70 LEU N N 70 118.817 119.818 -1.001 1 1 809 . 18 1 1 A 71 71 ARG H H 71 8.148 8.900 -0.752 1 1 810 . 18 1 1 A 71 71 ARG HA H 71 4.922 4.847 0.075 1 1 817 . 18 1 1 A 71 71 ARG C C 71 174.419 173.906 0.513 1 1 818 . 18 1 1 A 71 71 ARG CA C 71 53.534 53.021 0.513 1 1 819 . 18 1 1 A 71 71 ARG CB C 71 32.001 31.212 0.789 1 1 822 . 18 1 1 A 71 71 ARG N N 71 118.182 120.916 -2.734 1 1 823 . 18 1 1 A 72 72 PRO HA H 72 5.168 4.346 0.822 1 1 830 . 18 1 1 A 72 72 PRO C C 72 178.121 177.709 0.412 1 1 831 . 18 1 1 A 72 72 PRO CA C 72 63.416 63.660 -0.244 1 1 832 . 18 1 1 A 72 72 PRO CB C 72 32.908 31.347 1.561 1 1 835 . 18 1 1 A 73 73 GLY H H 73 7.705 8.563 -0.858 1 1 836 . 18 1 1 A 73 73 GLY HA2 H 73 3.856 3.967 -0.111 1 1 837 . 18 1 1 A 73 73 GLY HA3 H 73 3.508 3.974 -0.466 1 1 838 . 18 1 1 A 73 73 GLY C C 73 173.685 173.754 -0.069 1 1 839 . 18 1 1 A 73 73 GLY CA C 73 46.731 46.520 0.211 1 1 840 . 18 1 1 A 73 73 GLY N N 73 112.669 112.119 0.550 1 1 841 . 18 1 1 A 74 74 MET H H 74 7.511 7.606 -0.095 1 1 842 . 18 1 1 A 74 74 MET HA H 74 4.742 4.954 -0.212 1 1 850 . 18 1 1 A 74 74 MET C C 74 173.525 173.976 -0.451 1 1 851 . 18 1 1 A 74 74 MET CA C 74 53.216 54.497 -1.281 1 1 852 . 18 1 1 A 74 74 MET CB C 74 33.610 35.840 -2.230 1 1 855 . 18 1 1 A 74 74 MET N N 74 119.820 119.022 0.798 1 1 856 . 18 1 1 A 75 75 VAL H H 75 7.651 8.522 -0.871 1 1 857 . 18 1 1 A 75 75 VAL HA H 75 4.361 4.676 -0.315 1 1 865 . 18 1 1 A 75 75 VAL C C 75 174.677 175.063 -0.386 1 1 866 . 18 1 1 A 75 75 VAL CA C 75 61.581 61.599 -0.018 1 1 867 . 18 1 1 A 75 75 VAL CB C 75 32.345 32.674 -0.329 1 1 870 . 18 1 1 A 75 75 VAL N N 75 121.287 125.367 -4.080 1 1 871 . 18 1 1 A 76 76 TYR H H 76 9.405 9.132 0.273 1 1 872 . 18 1 1 A 76 76 TYR HA H 76 4.743 4.976 -0.233 1 1 879 . 18 1 1 A 76 76 TYR C C 76 174.740 174.902 -0.162 1 1 880 . 18 1 1 A 76 76 TYR CA C 76 57.424 56.493 0.931 1 1 881 . 18 1 1 A 76 76 TYR CB C 76 41.151 41.682 -0.531 1 1 886 . 18 1 1 A 76 76 TYR N N 76 126.231 126.000 0.231 1 1 887 . 18 1 1 A 77 77 VAL H H 77 8.867 8.389 0.478 1 1 888 . 18 1 1 A 77 77 VAL HA H 77 4.318 4.349 -0.031 1 1 896 . 18 1 1 A 77 77 VAL C C 77 175.773 175.245 0.528 1 1 897 . 18 1 1 A 77 77 VAL CA C 77 61.473 62.423 -0.950 1 1 898 . 18 1 1 A 77 77 VAL CB C 77 31.218 30.380 0.838 1 1 901 . 18 1 1 A 77 77 VAL N N 77 123.699 124.185 -0.486 1 1 902 . 18 1 1 A 78 78 VAL H H 78 8.683 9.053 -0.370 1 1 903 . 18 1 1 A 78 78 VAL HA H 78 4.995 4.901 0.094 1 1 911 . 18 1 1 A 78 78 VAL C C 78 175.275 175.275 0.000 1 1 912 . 18 1 1 A 78 78 VAL CA C 78 60.942 61.233 -0.291 1 1 913 . 18 1 1 A 78 78 VAL CB C 78 34.790 33.297 1.493 1 1 916 . 18 1 1 A 78 78 VAL N N 78 124.155 128.879 -4.724 1 1 917 . 18 1 1 A 79 79 GLN H H 79 8.613 8.737 -0.124 1 1 918 . 18 1 1 A 79 79 GLN HA H 79 4.511 4.987 -0.476 1 1 925 . 18 1 1 A 79 79 GLN C C 79 173.361 174.130 -0.769 1 1 926 . 18 1 1 A 79 79 GLN CA C 79 54.666 54.222 0.444 1 1 927 . 18 1 1 A 79 79 GLN CB C 79 36.751 32.834 3.917 1 1 929 . 18 1 1 A 79 79 GLN N N 79 121.693 125.286 -3.593 1 1 931 . 18 1 1 A 80 80 VAL H H 80 9.019 8.483 0.536 1 1 932 . 18 1 1 A 80 80 VAL HA H 80 5.801 5.247 0.554 1 1 940 . 18 1 1 A 80 80 VAL C C 80 174.526 174.468 0.058 1 1 941 . 18 1 1 A 80 80 VAL CA C 80 58.750 59.402 -0.652 1 1 942 . 18 1 1 A 80 80 VAL CB C 80 35.479 34.266 1.213 1 1 945 . 18 1 1 A 80 80 VAL N N 80 118.559 122.216 -3.657 1 1 946 . 18 1 1 A 81 81 ARG H H 81 9.199 8.940 0.259 1 1 947 . 18 1 1 A 81 81 ARG HA H 81 4.951 4.998 -0.047 1 1 955 . 18 1 1 A 81 81 ARG C C 81 172.660 174.324 -1.664 1 1 956 . 18 1 1 A 81 81 ARG CA C 81 54.295 53.557 0.738 1 1 957 . 18 1 1 A 81 81 ARG CB C 81 33.750 33.944 -0.194 1 1 960 . 18 1 1 A 81 81 ARG N N 81 125.225 126.780 -1.555 1 1 962 . 18 1 1 A 82 82 ALA H H 82 8.762 8.667 0.095 1 1 963 . 18 1 1 A 82 82 ALA HA H 82 4.820 5.401 -0.581 1 1 967 . 18 1 1 A 82 82 ALA C C 82 174.783 175.657 -0.874 1 1 968 . 18 1 1 A 82 82 ALA CA C 82 50.741 50.150 0.591 1 1 969 . 18 1 1 A 82 82 ALA CB C 82 22.383 21.474 0.909 1 1 970 . 18 1 1 A 82 82 ALA N N 82 124.292 122.848 1.444 1 1 971 . 18 1 1 A 83 83 ARG H H 83 8.336 8.229 0.107 1 1 972 . 18 1 1 A 83 83 ARG HA H 83 4.737 4.966 -0.229 1 1 980 . 18 1 1 A 83 83 ARG C C 83 175.290 174.525 0.765 1 1 981 . 18 1 1 A 83 83 ARG CA C 83 55.727 54.053 1.674 1 1 982 . 18 1 1 A 83 83 ARG CB C 83 34.562 33.734 0.828 1 1 985 . 18 1 1 A 83 83 ARG N N 83 121.023 122.572 -1.549 1 1 987 . 18 1 1 A 84 84 THR H H 84 8.485 8.617 -0.132 1 1 988 . 18 1 1 A 84 84 THR HA H 84 4.875 4.840 0.035 1 1 993 . 18 1 1 A 84 84 THR C C 84 176.218 175.209 1.009 1 1 994 . 18 1 1 A 84 84 THR CA C 84 59.475 59.177 0.298 1 1 995 . 18 1 1 A 84 84 THR CB C 84 72.440 72.395 0.045 1 1 997 . 18 1 1 A 84 84 THR N N 84 116.374 116.831 -0.457 1 1 998 . 18 1 1 A 85 85 VAL H H 85 9.283 8.686 0.597 1 1 999 . 18 1 1 A 85 85 VAL HA H 85 3.794 3.871 -0.077 1 1 1007 . 18 1 1 A 85 85 VAL C C 85 175.930 177.116 -1.186 1 1 1008 . 18 1 1 A 85 85 VAL CA C 85 64.934 64.510 0.424 1 1 1009 . 18 1 1 A 85 85 VAL CB C 85 31.621 31.616 0.005 1 1 1012 . 18 1 1 A 85 85 VAL N N 85 119.099 122.186 -3.087 1 1 1013 . 18 1 1 A 86 86 ALA H H 86 7.840 7.606 0.234 1 1 1014 . 18 1 1 A 86 86 ALA HA H 86 4.242 4.199 0.043 1 1 1018 . 18 1 1 A 86 86 ALA C C 86 177.467 177.396 0.071 1 1 1019 . 18 1 1 A 86 86 ALA CA C 86 52.774 54.126 -1.352 1 1 1020 . 18 1 1 A 86 86 ALA CB C 86 19.733 19.893 -0.160 1 1 1021 . 18 1 1 A 86 86 ALA N N 86 121.263 122.668 -1.405 1 1 1022 . 18 1 1 A 87 87 GLY H H 87 7.365 7.290 0.075 1 1 1023 . 18 1 1 A 87 87 GLY HA2 H 87 4.402 4.112 0.290 1 1 1024 . 18 1 1 A 87 87 GLY HA3 H 87 3.588 4.122 -0.534 1 1 1025 . 18 1 1 A 87 87 GLY C C 87 171.960 171.004 0.956 1 1 1026 . 18 1 1 A 87 87 GLY CA C 87 44.170 46.241 -2.071 1 1 1027 . 18 1 1 A 87 87 GLY N N 87 105.736 102.003 3.733 1 1 1028 . 18 1 1 A 88 88 TYR H H 88 8.444 8.559 -0.115 1 1 1029 . 18 1 1 A 88 88 TYR HA H 88 5.063 5.202 -0.139 1 1 1036 . 18 1 1 A 88 88 TYR C C 88 179.239 175.179 4.060 1 1 1037 . 18 1 1 A 88 88 TYR CA C 88 58.308 55.650 2.658 1 1 1038 . 18 1 1 A 88 88 TYR CB C 88 41.442 41.216 0.226 1 1 1043 . 18 1 1 A 88 88 TYR N N 88 116.996 120.260 -3.264 1 1 1044 . 18 1 1 A 89 89 GLY H H 89 8.676 8.518 0.158 1 1 1045 . 18 1 1 A 89 89 GLY HA2 H 89 4.324 4.241 0.083 1 1 1046 . 18 1 1 A 89 89 GLY HA3 H 89 3.973 4.259 -0.286 1 1 1047 . 18 1 1 A 89 89 GLY C C 89 173.844 172.822 1.022 1 1 1048 . 18 1 1 A 89 89 GLY CA C 89 43.916 43.779 0.137 1 1 1049 . 18 1 1 A 89 89 GLY N N 89 107.850 110.339 -2.489 1 1 1050 . 18 1 1 A 90 90 LYS H H 90 8.711 8.249 0.462 1 1 1051 . 18 1 1 A 90 90 LYS HA H 90 4.166 4.145 0.021 1 1 1060 . 18 1 1 A 90 90 LYS C C 90 177.819 177.154 0.665 1 1 1061 . 18 1 1 A 90 90 LYS CA C 90 56.162 56.112 0.050 1 1 1062 . 18 1 1 A 90 90 LYS CB C 90 32.730 33.351 -0.621 1 1 1066 . 18 1 1 A 90 90 LYS N N 90 119.382 119.914 -0.532 1 1 1067 . 18 1 1 A 91 91 PHE H H 91 8.698 8.751 -0.053 1 1 1068 . 18 1 1 A 91 91 PHE HA H 91 4.241 4.722 -0.481 1 1 1076 . 18 1 1 A 91 91 PHE C C 91 176.805 175.922 0.883 1 1 1077 . 18 1 1 A 91 91 PHE CA C 91 61.027 58.289 2.738 1 1 1078 . 18 1 1 A 91 91 PHE CB C 91 39.995 39.471 0.524 1 1 1084 . 18 1 1 A 91 91 PHE N N 91 120.691 120.568 0.123 1 1 1085 . 18 1 1 A 92 92 SER H H 92 8.311 8.570 -0.259 1 1 1086 . 18 1 1 A 92 92 SER HA H 92 4.259 4.673 -0.414 1 1 1089 . 18 1 1 A 92 92 SER C C 92 173.499 174.705 -1.206 1 1 1090 . 18 1 1 A 92 92 SER CA C 92 58.146 57.547 0.599 1 1 1091 . 18 1 1 A 92 92 SER CB C 92 65.329 65.076 0.253 1 1 1092 . 18 1 1 A 92 92 SER N N 92 115.098 116.490 -1.392 1 1 1093 . 18 1 1 A 93 93 GLY H H 93 8.869 8.618 0.251 1 1 1094 . 18 1 1 A 93 93 GLY HA2 H 93 4.071 3.890 0.181 1 1 1095 . 18 1 1 A 93 93 GLY HA3 H 93 3.780 3.901 -0.121 1 1 1096 . 18 1 1 A 93 93 GLY C C 93 174.375 174.662 -0.287 1 1 1097 . 18 1 1 A 93 93 GLY CA C 93 45.331 46.723 -1.392 1 1 1098 . 18 1 1 A 93 93 GLY N N 93 106.252 108.854 -2.602 1 1 1099 . 18 1 1 A 94 94 LYS H H 94 8.619 8.533 0.086 1 1 1100 . 18 1 1 A 94 94 LYS HA H 94 3.633 4.208 -0.575 1 1 1109 . 18 1 1 A 94 94 LYS C C 94 176.004 175.021 0.983 1 1 1110 . 18 1 1 A 94 94 LYS CA C 94 59.068 57.077 1.991 1 1 1111 . 18 1 1 A 94 94 LYS CB C 94 33.072 33.339 -0.267 1 1 1115 . 18 1 1 A 94 94 LYS N N 94 122.645 127.144 -4.499 1 1 1116 . 18 1 1 A 95 95 MET H H 95 7.547 8.677 -1.130 1 1 1117 . 18 1 1 A 95 95 MET HA H 95 4.520 5.031 -0.511 1 1 1125 . 18 1 1 A 95 95 MET C C 95 173.400 173.956 -0.556 1 1 1126 . 18 1 1 A 95 95 MET CA C 95 54.701 53.879 0.822 1 1 1127 . 18 1 1 A 95 95 MET CB C 95 37.784 35.475 2.309 1 1 1130 . 18 1 1 A 95 95 MET N N 95 122.392 125.074 -2.682 1 1 1131 . 18 1 1 A 96 96 CYS H H 96 7.888 8.630 -0.742 1 1 1132 . 18 1 1 A 96 96 CYS HA H 96 5.465 5.103 0.362 1 1 1135 . 18 1 1 A 96 96 CYS C C 96 173.757 172.834 0.923 1 1 1136 . 18 1 1 A 96 96 CYS CA C 96 57.353 56.850 0.503 1 1 1137 . 18 1 1 A 96 96 CYS CB C 96 29.941 29.014 0.927 1 1 1138 . 18 1 1 A 96 96 CYS N N 96 117.124 121.472 -4.348 1 1 1139 . 18 1 1 A 97 97 PHE H H 97 9.133 9.080 0.053 1 1 1140 . 18 1 1 A 97 97 PHE HA H 97 4.879 5.204 -0.325 1 1 1148 . 18 1 1 A 97 97 PHE C C 97 173.309 175.482 -2.173 1 1 1149 . 18 1 1 A 97 97 PHE CA C 97 56.983 56.294 0.689 1 1 1150 . 18 1 1 A 97 97 PHE CB C 97 44.074 41.305 2.769 1 1 1156 . 18 1 1 A 97 97 PHE N N 97 121.239 124.519 -3.280 1 1 1157 . 18 1 1 A 98 98 GLN H H 98 8.884 8.744 0.140 1 1 1158 . 18 1 1 A 98 98 GLN HA H 98 5.809 5.101 0.708 1 1 1165 . 18 1 1 A 98 98 GLN C C 98 176.454 175.908 0.546 1 1 1166 . 18 1 1 A 98 98 GLN CA C 98 54.125 54.654 -0.529 1 1 1167 . 18 1 1 A 98 98 GLN CB C 98 33.444 30.145 3.299 1 1 1169 . 18 1 1 A 98 98 GLN N N 98 120.699 121.666 -0.967 1 1 1171 . 18 1 1 A 99 99 THR H H 99 8.176 8.108 0.068 1 1 1172 . 18 1 1 A 99 99 THR HA H 99 4.324 4.735 -0.411 1 1 1177 . 18 1 1 A 99 99 THR C C 99 175.929 174.461 1.468 1 1 1178 . 18 1 1 A 99 99 THR CA C 99 60.341 60.554 -0.213 1 1 1179 . 18 1 1 A 99 99 THR CB C 99 70.070 71.737 -1.667 1 1 1181 . 18 1 1 A 99 99 THR N N 99 112.214 112.476 -0.262 1 1 1182 . 18 1 1 A 100 100 LEU H H 100 7.368 8.430 -1.062 1 1 1183 . 18 1 1 A 100 100 LEU HA H 100 4.310 4.442 -0.132 1 1 1193 . 18 1 1 A 100 100 LEU C C 100 177.359 176.558 0.801 1 1 1194 . 18 1 1 A 100 100 LEU CA C 100 54.790 55.072 -0.282 1 1 1195 . 18 1 1 A 100 100 LEU CB C 100 42.096 42.289 -0.193 1 1 1199 . 18 1 1 A 100 100 LEU N N 100 117.018 122.396 -5.378 1 1 1200 . 18 1 1 A 101 101 THR H H 101 7.997 8.380 -0.383 1 1 1201 . 18 1 1 A 101 101 THR HA H 101 4.123 5.031 -0.908 1 1 1206 . 18 1 1 A 101 101 THR C C 101 174.014 172.425 1.589 1 1 1207 . 18 1 1 A 101 101 THR CA C 101 61.968 60.591 1.377 1 1 1208 . 18 1 1 A 101 101 THR CB C 101 70.172 69.970 0.202 1 1 1210 . 18 1 1 A 101 101 THR N N 101 110.428 116.533 -6.105 1 1 1211 . 18 1 1 A 102 102 ASP H H 102 8.320 8.898 -0.578 1 1 1212 . 18 1 1 A 102 102 ASP HA H 102 4.853 4.742 0.111 1 1 1215 . 18 1 1 A 102 102 ASP C C 102 176.204 176.018 0.186 1 1 1216 . 18 1 1 A 102 102 ASP CA C 102 53.694 52.827 0.867 1 1 1217 . 18 1 1 A 102 102 ASP CB C 102 41.808 39.017 2.791 1 1 1218 . 18 1 1 A 102 102 ASP N N 102 120.693 127.807 -7.114 1 1 1219 . 18 1 1 A 103 103 SER H H 103 8.294 8.356 -0.062 1 1 1220 . 18 1 1 A 103 103 SER HA H 103 4.486 4.463 0.023 1 1 1223 . 18 1 1 A 103 103 SER C C 103 174.875 174.373 0.502 1 1 1224 . 18 1 1 A 103 103 SER CA C 103 58.361 60.127 -1.766 1 1 1225 . 18 1 1 A 103 103 SER CB C 103 63.942 64.081 -0.139 1 1 1226 . 18 1 1 A 103 103 SER N N 103 117.442 118.447 -1.005 1 1 1227 . 18 1 1 A 104 104 GLY H H 104 8.393 7.322 1.071 1 1 1228 . 18 1 1 A 104 104 GLY HA2 H 104 4.104 4.095 0.009 1 1 1229 . 18 1 1 A 104 104 GLY HA3 H 104 4.104 4.096 0.008 1 1 1230 . 18 1 1 A 104 104 GLY C C 104 172.016 173.870 -1.854 1 1 1231 . 18 1 1 A 104 104 GLY CA C 104 44.800 44.300 0.500 1 1 1232 . 18 1 1 A 104 104 GLY N N 104 111.065 106.979 4.086 1 1 1233 . 18 1 1 A 105 105 PRO HA H 105 4.475 4.482 -0.007 1 1 1240 . 18 1 1 A 105 105 PRO C C 105 177.464 177.120 0.344 1 1 1241 . 18 1 1 A 105 105 PRO CA C 105 63.329 63.943 -0.614 1 1 1242 . 18 1 1 A 105 105 PRO CB C 105 32.249 32.045 0.204 1 1 1245 . 18 1 1 A 106 106 SER H H 106 8.514 8.136 0.378 1 1 1246 . 18 1 1 A 106 106 SER HA H 106 4.512 4.137 0.375 1 1 1249 . 18 1 1 A 106 106 SER C C 106 174.735 173.858 0.877 1 1 1250 . 18 1 1 A 106 106 SER CA C 106 58.361 61.345 -2.984 1 1 1251 . 18 1 1 A 106 106 SER CB C 106 63.820 63.155 0.665 1 1 1252 . 18 1 1 A 106 106 SER N N 106 116.429 112.798 3.631 1 1 1253 . 18 1 1 A 107 107 SER H H 107 8.329 8.018 0.311 1 1 1254 . 18 1 1 A 107 107 SER HA H 107 4.512 4.889 -0.377 1 1 1257 . 18 1 1 A 107 107 SER C C 107 174.004 173.106 0.898 1 1 1258 . 18 1 1 A 107 107 SER CA C 107 58.414 57.184 1.230 1 1 1259 . 18 1 1 A 107 107 SER CB C 107 64.014 65.525 -1.511 1 1 1260 . 18 1 1 A 107 107 SER N N 107 117.919 111.494 6.425 1 1 1 . 19 1 1 A 6 6 SER HA H 6 4.523 4.831 -0.308 1 1 3 . 19 1 1 A 6 6 SER CA C 6 58.535 56.534 2.001 1 1 4 . 19 1 1 A 6 6 SER CB C 6 64.106 65.367 -1.261 1 1 5 . 19 1 1 A 7 7 GLY H H 7 8.202 8.276 -0.074 1 1 6 . 19 1 1 A 7 7 GLY HA2 H 7 3.881 4.092 -0.211 1 1 7 . 19 1 1 A 7 7 GLY HA3 H 7 3.740 4.092 -0.352 1 1 8 . 19 1 1 A 7 7 GLY CA C 7 44.322 44.160 0.162 1 1 9 . 19 1 1 A 7 7 GLY N N 7 109.573 115.142 -5.569 1 1 10 . 19 1 1 A 8 8 PRO HA H 8 4.641 4.580 0.061 1 1 17 . 19 1 1 A 8 8 PRO C C 8 176.480 176.847 -0.367 1 1 18 . 19 1 1 A 8 8 PRO CA C 8 62.582 62.518 0.064 1 1 19 . 19 1 1 A 8 8 PRO CB C 8 32.331 32.482 -0.151 1 1 22 . 19 1 1 A 9 9 SER H H 9 8.061 8.656 -0.595 1 1 23 . 19 1 1 A 9 9 SER HA H 9 4.374 4.553 -0.179 1 1 26 . 19 1 1 A 9 9 SER C C 9 173.090 173.672 -0.582 1 1 27 . 19 1 1 A 9 9 SER CA C 9 58.754 57.966 0.788 1 1 28 . 19 1 1 A 9 9 SER CB C 9 63.667 64.799 -1.132 1 1 29 . 19 1 1 A 9 9 SER N N 9 115.137 114.437 0.700 1 1 30 . 19 1 1 A 10 10 THR H H 10 8.359 8.518 -0.159 1 1 31 . 19 1 1 A 10 10 THR HA H 10 4.027 4.912 -0.885 1 1 36 . 19 1 1 A 10 10 THR C C 10 175.380 172.952 2.428 1 1 37 . 19 1 1 A 10 10 THR CA C 10 62.781 60.315 2.466 1 1 38 . 19 1 1 A 10 10 THR CB C 10 69.617 72.053 -2.436 1 1 40 . 19 1 1 A 10 10 THR N N 10 115.079 114.813 0.266 1 1 41 . 19 1 1 A 11 11 VAL H H 11 9.280 8.449 0.831 1 1 42 . 19 1 1 A 11 11 VAL HA H 11 4.097 4.111 -0.014 1 1 50 . 19 1 1 A 11 11 VAL C C 11 175.706 176.337 -0.631 1 1 51 . 19 1 1 A 11 11 VAL CA C 11 61.518 61.679 -0.161 1 1 52 . 19 1 1 A 11 11 VAL CB C 11 33.174 31.834 1.340 1 1 55 . 19 1 1 A 11 11 VAL N N 11 131.182 126.246 4.936 1 1 56 . 19 1 1 A 12 12 PRO HA H 12 4.415 4.459 -0.044 1 1 63 . 19 1 1 A 12 12 PRO C C 12 175.612 176.378 -0.766 1 1 64 . 19 1 1 A 12 12 PRO CA C 12 64.850 64.897 -0.047 1 1 65 . 19 1 1 A 12 12 PRO CB C 12 32.578 32.169 0.409 1 1 68 . 19 1 1 A 13 13 ILE H H 13 7.251 7.550 -0.299 1 1 69 . 19 1 1 A 13 13 ILE HA H 13 4.439 4.614 -0.175 1 1 79 . 19 1 1 A 13 13 ILE C C 13 170.969 173.194 -2.225 1 1 80 . 19 1 1 A 13 13 ILE CA C 13 59.973 59.212 0.761 1 1 81 . 19 1 1 A 13 13 ILE CB C 13 40.776 41.468 -0.692 1 1 85 . 19 1 1 A 13 13 ILE N N 13 115.827 116.049 -0.222 1 1 86 . 19 1 1 A 14 14 MET H H 14 6.827 8.620 -1.793 1 1 87 . 19 1 1 A 14 14 MET HA H 14 4.961 5.338 -0.377 1 1 95 . 19 1 1 A 14 14 MET C C 14 173.380 175.045 -1.665 1 1 96 . 19 1 1 A 14 14 MET CA C 14 55.214 53.795 1.419 1 1 97 . 19 1 1 A 14 14 MET CB C 14 38.223 35.187 3.036 1 1 100 . 19 1 1 A 14 14 MET N N 14 116.754 125.396 -8.642 1 1 101 . 19 1 1 A 15 15 HIS H H 15 9.417 9.068 0.349 1 1 102 . 19 1 1 A 15 15 HIS HA H 15 4.958 5.213 -0.255 1 1 107 . 19 1 1 A 15 15 HIS C C 15 173.901 173.913 -0.012 1 1 108 . 19 1 1 A 15 15 HIS CA C 15 55.190 54.527 0.663 1 1 109 . 19 1 1 A 15 15 HIS CB C 15 33.361 32.831 0.530 1 1 112 . 19 1 1 A 15 15 HIS N N 15 118.539 118.781 -0.242 1 1 113 . 19 1 1 A 16 16 GLN H H 16 9.164 8.890 0.274 1 1 114 . 19 1 1 A 16 16 GLN HA H 16 4.385 4.292 0.093 1 1 121 . 19 1 1 A 16 16 GLN C C 16 175.463 175.131 0.332 1 1 122 . 19 1 1 A 16 16 GLN CA C 16 55.992 55.802 0.190 1 1 123 . 19 1 1 A 16 16 GLN CB C 16 29.159 29.912 -0.753 1 1 125 . 19 1 1 A 16 16 GLN N N 16 123.267 124.576 -1.309 1 1 127 . 19 1 1 A 17 17 VAL H H 17 8.983 8.935 0.048 1 1 128 . 19 1 1 A 17 17 VAL HA H 17 3.910 4.113 -0.203 1 1 136 . 19 1 1 A 17 17 VAL C C 17 176.328 176.027 0.301 1 1 137 . 19 1 1 A 17 17 VAL CA C 17 63.807 63.458 0.349 1 1 138 . 19 1 1 A 17 17 VAL CB C 17 33.088 32.984 0.104 1 1 141 . 19 1 1 A 17 17 VAL N N 17 128.880 127.325 1.555 1 1 142 . 19 1 1 A 18 18 SER H H 18 7.740 7.838 -0.098 1 1 143 . 19 1 1 A 18 18 SER HA H 18 4.589 4.740 -0.151 1 1 146 . 19 1 1 A 18 18 SER C C 18 171.965 172.502 -0.537 1 1 147 . 19 1 1 A 18 18 SER CA C 18 57.441 57.540 -0.099 1 1 148 . 19 1 1 A 18 18 SER CB C 18 64.058 65.974 -1.916 1 1 149 . 19 1 1 A 18 18 SER N N 18 110.447 111.709 -1.262 1 1 150 . 19 1 1 A 19 19 ALA H H 19 8.114 8.451 -0.337 1 1 151 . 19 1 1 A 19 19 ALA HA H 19 5.086 4.871 0.215 1 1 155 . 19 1 1 A 19 19 ALA C C 19 176.404 176.305 0.099 1 1 156 . 19 1 1 A 19 19 ALA CA C 19 52.453 51.563 0.890 1 1 157 . 19 1 1 A 19 19 ALA CB C 19 23.038 23.463 -0.425 1 1 158 . 19 1 1 A 19 19 ALA N N 19 121.116 121.944 -0.828 1 1 159 . 19 1 1 A 20 20 THR H H 20 8.710 8.781 -0.071 1 1 160 . 19 1 1 A 20 20 THR HA H 20 4.787 4.901 -0.114 1 1 165 . 19 1 1 A 20 20 THR C C 20 175.596 174.417 1.179 1 1 166 . 19 1 1 A 20 20 THR CA C 20 60.341 60.145 0.196 1 1 167 . 19 1 1 A 20 20 THR CB C 20 71.307 72.237 -0.930 1 1 169 . 19 1 1 A 20 20 THR N N 20 110.762 109.698 1.064 1 1 170 . 19 1 1 A 21 21 MET H H 21 8.686 8.685 0.001 1 1 171 . 19 1 1 A 21 21 MET HA H 21 4.618 4.462 0.156 1 1 179 . 19 1 1 A 21 21 MET C C 21 174.754 176.873 -2.119 1 1 180 . 19 1 1 A 21 21 MET CA C 21 59.272 57.061 2.211 1 1 181 . 19 1 1 A 21 21 MET CB C 21 34.488 33.084 1.404 1 1 184 . 19 1 1 A 21 21 MET N N 21 118.478 119.467 -0.989 1 1 185 . 19 1 1 A 22 22 ARG H H 22 7.296 7.869 -0.573 1 1 186 . 19 1 1 A 22 22 ARG HA H 22 4.453 4.717 -0.264 1 1 193 . 19 1 1 A 22 22 ARG C C 22 174.722 175.212 -0.490 1 1 194 . 19 1 1 A 22 22 ARG CA C 22 54.218 55.407 -1.189 1 1 195 . 19 1 1 A 22 22 ARG CB C 22 32.509 31.771 0.738 1 1 198 . 19 1 1 A 22 22 ARG N N 22 108.176 117.007 -8.831 1 1 199 . 19 1 1 A 23 23 SER H H 23 7.387 7.741 -0.354 1 1 200 . 19 1 1 A 23 23 SER HA H 23 5.353 5.047 0.306 1 1 203 . 19 1 1 A 23 23 SER C C 23 171.910 172.343 -0.433 1 1 204 . 19 1 1 A 23 23 SER CA C 23 57.230 57.626 -0.396 1 1 205 . 19 1 1 A 23 23 SER CB C 23 68.011 67.059 0.952 1 1 206 . 19 1 1 A 23 23 SER N N 23 114.861 114.016 0.845 1 1 207 . 19 1 1 A 24 24 ILE H H 24 8.061 8.698 -0.637 1 1 208 . 19 1 1 A 24 24 ILE HA H 24 4.470 4.708 -0.238 1 1 218 . 19 1 1 A 24 24 ILE C C 24 174.028 174.720 -0.692 1 1 219 . 19 1 1 A 24 24 ILE CA C 24 61.402 59.930 1.472 1 1 220 . 19 1 1 A 24 24 ILE CB C 24 43.249 42.020 1.229 1 1 224 . 19 1 1 A 24 24 ILE N N 24 116.152 121.092 -4.940 1 1 225 . 19 1 1 A 25 25 THR H H 25 8.584 8.529 0.055 1 1 226 . 19 1 1 A 25 25 THR HA H 25 5.107 4.948 0.159 1 1 231 . 19 1 1 A 25 25 THR C C 25 173.463 173.470 -0.007 1 1 232 . 19 1 1 A 25 25 THR CA C 25 62.127 61.505 0.622 1 1 233 . 19 1 1 A 25 25 THR CB C 25 68.954 70.446 -1.492 1 1 235 . 19 1 1 A 25 25 THR N N 25 122.080 122.772 -0.692 1 1 236 . 19 1 1 A 26 26 LEU H H 26 9.093 8.712 0.381 1 1 237 . 19 1 1 A 26 26 LEU HA H 26 5.427 4.996 0.431 1 1 247 . 19 1 1 A 26 26 LEU C C 26 175.180 175.330 -0.150 1 1 248 . 19 1 1 A 26 26 LEU CA C 26 53.181 53.462 -0.281 1 1 249 . 19 1 1 A 26 26 LEU CB C 26 46.902 46.560 0.342 1 1 253 . 19 1 1 A 26 26 LEU N N 26 128.231 126.398 1.833 1 1 254 . 19 1 1 A 27 27 SER H H 27 9.260 8.384 0.876 1 1 255 . 19 1 1 A 27 27 SER HA H 27 4.757 4.915 -0.158 1 1 258 . 19 1 1 A 27 27 SER C C 27 172.413 172.770 -0.357 1 1 259 . 19 1 1 A 27 27 SER CA C 27 56.912 57.008 -0.096 1 1 260 . 19 1 1 A 27 27 SER CB C 27 66.220 65.529 0.691 1 1 261 . 19 1 1 A 27 27 SER N N 27 115.325 115.252 0.073 1 1 262 . 19 1 1 A 28 28 TRP H H 28 7.430 8.082 -0.652 1 1 263 . 19 1 1 A 28 28 TRP HA H 28 5.212 5.352 -0.140 1 1 272 . 19 1 1 A 28 28 TRP C C 28 171.555 173.221 -1.666 1 1 273 . 19 1 1 A 28 28 TRP CA C 28 55.143 54.738 0.405 1 1 274 . 19 1 1 A 28 28 TRP CB C 28 28.918 31.605 -2.687 1 1 280 . 19 1 1 A 28 28 TRP N N 28 119.703 122.249 -2.546 1 1 282 . 19 1 1 A 29 29 PRO HA H 29 4.543 4.590 -0.047 1 1 289 . 19 1 1 A 29 29 PRO C C 29 175.962 176.235 -0.273 1 1 290 . 19 1 1 A 29 29 PRO CA C 29 61.702 62.780 -1.078 1 1 291 . 19 1 1 A 29 29 PRO CB C 29 32.041 32.175 -0.134 1 1 294 . 19 1 1 A 30 30 GLN H H 30 8.248 8.509 -0.261 1 1 295 . 19 1 1 A 30 30 GLN HA H 30 4.654 4.607 0.047 1 1 302 . 19 1 1 A 30 30 GLN C C 30 174.856 175.170 -0.314 1 1 303 . 19 1 1 A 30 30 GLN CA C 30 54.524 54.125 0.399 1 1 304 . 19 1 1 A 30 30 GLN CB C 30 28.623 29.650 -1.027 1 1 306 . 19 1 1 A 30 30 GLN N N 30 117.321 121.468 -4.147 1 1 308 . 19 1 1 A 31 31 PRO HA H 31 4.116 4.792 -0.676 1 1 315 . 19 1 1 A 31 31 PRO C C 31 175.787 176.867 -1.080 1 1 316 . 19 1 1 A 31 31 PRO CA C 31 63.364 62.839 0.525 1 1 317 . 19 1 1 A 31 31 PRO CB C 31 32.503 33.628 -1.125 1 1 320 . 19 1 1 A 32 32 GLU H H 32 8.367 9.047 -0.680 1 1 321 . 19 1 1 A 32 32 GLU HA H 32 4.004 4.622 -0.618 1 1 326 . 19 1 1 A 32 32 GLU C C 32 176.748 176.854 -0.106 1 1 327 . 19 1 1 A 32 32 GLU CA C 32 58.644 56.712 1.932 1 1 328 . 19 1 1 A 32 32 GLU CB C 32 30.271 31.279 -1.008 1 1 330 . 19 1 1 A 32 32 GLU N N 32 122.959 119.438 3.521 1 1 331 . 19 1 1 A 33 33 GLN H H 33 8.220 7.741 0.479 1 1 332 . 19 1 1 A 33 33 GLN HA H 33 4.820 4.858 -0.038 1 1 339 . 19 1 1 A 33 33 GLN C C 33 172.938 174.323 -1.385 1 1 340 . 19 1 1 A 33 33 GLN CA C 33 52.544 53.509 -0.965 1 1 341 . 19 1 1 A 33 33 GLN CB C 33 29.077 29.491 -0.414 1 1 343 . 19 1 1 A 33 33 GLN N N 33 116.413 119.085 -2.672 1 1 345 . 19 1 1 A 34 34 PRO HA H 34 4.039 4.430 -0.391 1 1 352 . 19 1 1 A 34 34 PRO C C 34 175.293 176.551 -1.258 1 1 353 . 19 1 1 A 34 34 PRO CA C 34 64.248 63.662 0.586 1 1 354 . 19 1 1 A 34 34 PRO CB C 34 31.974 32.101 -0.127 1 1 357 . 19 1 1 A 35 35 ASN H H 35 8.478 8.111 0.367 1 1 358 . 19 1 1 A 35 35 ASN HA H 35 4.270 4.402 -0.132 1 1 363 . 19 1 1 A 35 35 ASN C C 35 173.982 174.462 -0.480 1 1 364 . 19 1 1 A 35 35 ASN CA C 35 53.655 54.581 -0.926 1 1 365 . 19 1 1 A 35 35 ASN CB C 35 37.151 37.157 -0.006 1 1 366 . 19 1 1 A 35 35 ASN N N 35 111.907 115.106 -3.199 1 1 368 . 19 1 1 A 36 36 GLY H H 36 7.537 7.872 -0.335 1 1 369 . 19 1 1 A 36 36 GLY HA2 H 36 4.247 4.004 0.243 1 1 370 . 19 1 1 A 36 36 GLY HA3 H 36 3.749 4.014 -0.265 1 1 371 . 19 1 1 A 36 36 GLY C C 36 172.062 172.603 -0.541 1 1 372 . 19 1 1 A 36 36 GLY CA C 36 44.147 44.841 -0.694 1 1 373 . 19 1 1 A 36 36 GLY N N 36 105.149 106.555 -1.406 1 1 374 . 19 1 1 A 37 37 ILE H H 37 8.107 8.578 -0.471 1 1 375 . 19 1 1 A 37 37 ILE HA H 37 4.017 4.008 0.009 1 1 385 . 19 1 1 A 37 37 ILE C C 37 176.534 176.034 0.500 1 1 386 . 19 1 1 A 37 37 ILE CA C 37 60.331 61.803 -1.472 1 1 387 . 19 1 1 A 37 37 ILE CB C 37 38.929 37.281 1.648 1 1 391 . 19 1 1 A 37 37 ILE N N 37 120.104 121.476 -1.372 1 1 392 . 19 1 1 A 38 38 ILE H H 38 8.678 8.630 0.048 1 1 393 . 19 1 1 A 38 38 ILE HA H 38 3.695 3.925 -0.230 1 1 403 . 19 1 1 A 38 38 ILE C C 38 176.027 175.552 0.475 1 1 404 . 19 1 1 A 38 38 ILE CA C 38 61.811 62.169 -0.358 1 1 405 . 19 1 1 A 38 38 ILE CB C 38 37.028 37.588 -0.560 1 1 409 . 19 1 1 A 38 38 ILE N N 38 127.591 129.546 -1.955 1 1 410 . 19 1 1 A 39 39 LEU H H 39 9.054 8.559 0.495 1 1 411 . 19 1 1 A 39 39 LEU HA H 39 4.188 4.223 -0.035 1 1 421 . 19 1 1 A 39 39 LEU C C 39 176.826 176.039 0.787 1 1 422 . 19 1 1 A 39 39 LEU CA C 39 56.416 56.480 -0.064 1 1 423 . 19 1 1 A 39 39 LEU CB C 39 42.664 42.438 0.226 1 1 427 . 19 1 1 A 39 39 LEU N N 39 130.577 129.092 1.485 1 1 428 . 19 1 1 A 40 40 ASP H H 40 7.502 7.563 -0.061 1 1 429 . 19 1 1 A 40 40 ASP HA H 40 4.392 4.925 -0.533 1 1 432 . 19 1 1 A 40 40 ASP C C 40 171.781 173.163 -1.382 1 1 433 . 19 1 1 A 40 40 ASP CA C 40 52.884 53.058 -0.174 1 1 434 . 19 1 1 A 40 40 ASP CB C 40 41.985 44.626 -2.641 1 1 435 . 19 1 1 A 40 40 ASP N N 40 112.731 113.968 -1.237 1 1 436 . 19 1 1 A 41 41 TYR H H 41 8.974 8.514 0.460 1 1 437 . 19 1 1 A 41 41 TYR HA H 41 5.379 5.194 0.185 1 1 444 . 19 1 1 A 41 41 TYR C C 41 175.555 174.638 0.917 1 1 445 . 19 1 1 A 41 41 TYR CA C 41 56.574 56.565 0.009 1 1 446 . 19 1 1 A 41 41 TYR CB C 41 42.213 41.778 0.435 1 1 449 . 19 1 1 A 41 41 TYR N N 41 111.324 119.573 -8.249 1 1 450 . 19 1 1 A 42 42 GLU H H 42 9.184 9.115 0.069 1 1 451 . 19 1 1 A 42 42 GLU HA H 42 5.066 4.943 0.123 1 1 456 . 19 1 1 A 42 42 GLU C C 42 174.368 175.345 -0.977 1 1 457 . 19 1 1 A 42 42 GLU CA C 42 55.126 55.840 -0.714 1 1 458 . 19 1 1 A 42 42 GLU CB C 42 33.471 31.228 2.243 1 1 460 . 19 1 1 A 42 42 GLU N N 42 120.875 124.700 -3.825 1 1 461 . 19 1 1 A 43 43 ILE H H 43 9.355 8.644 0.711 1 1 462 . 19 1 1 A 43 43 ILE HA H 43 4.853 5.313 -0.460 1 1 472 . 19 1 1 A 43 43 ILE C C 43 174.430 174.526 -0.096 1 1 473 . 19 1 1 A 43 43 ILE CA C 43 60.323 59.893 0.430 1 1 474 . 19 1 1 A 43 43 ILE CB C 43 40.297 41.128 -0.831 1 1 478 . 19 1 1 A 43 43 ILE N N 43 126.045 126.498 -0.453 1 1 479 . 19 1 1 A 44 44 ARG H H 44 9.097 8.608 0.489 1 1 480 . 19 1 1 A 44 44 ARG HA H 44 5.545 5.339 0.206 1 1 487 . 19 1 1 A 44 44 ARG C C 44 175.523 174.026 1.497 1 1 488 . 19 1 1 A 44 44 ARG CA C 44 54.386 54.242 0.144 1 1 489 . 19 1 1 A 44 44 ARG CB C 44 34.638 33.288 1.350 1 1 492 . 19 1 1 A 44 44 ARG N N 44 127.831 127.977 -0.146 1 1 493 . 19 1 1 A 45 45 TYR H H 45 8.893 8.423 0.470 1 1 494 . 19 1 1 A 45 45 TYR HA H 45 6.272 5.847 0.425 1 1 501 . 19 1 1 A 45 45 TYR C C 45 173.560 173.456 0.104 1 1 502 . 19 1 1 A 45 45 TYR CA C 45 54.767 55.365 -0.598 1 1 503 . 19 1 1 A 45 45 TYR CB C 45 43.168 42.210 0.958 1 1 508 . 19 1 1 A 45 45 TYR N N 45 123.683 122.748 0.935 1 1 509 . 19 1 1 A 46 46 TYR H H 46 8.479 8.242 0.237 1 1 510 . 19 1 1 A 46 46 TYR HA H 46 5.048 5.195 -0.147 1 1 517 . 19 1 1 A 46 46 TYR C C 46 173.870 174.512 -0.642 1 1 518 . 19 1 1 A 46 46 TYR CA C 46 55.485 55.746 -0.261 1 1 519 . 19 1 1 A 46 46 TYR CB C 46 39.975 41.317 -1.342 1 1 524 . 19 1 1 A 46 46 TYR N N 46 114.778 117.905 -3.127 1 1 525 . 19 1 1 A 47 47 GLU H H 47 9.111 8.669 0.442 1 1 526 . 19 1 1 A 47 47 GLU HA H 47 3.819 3.979 -0.160 1 1 531 . 19 1 1 A 47 47 GLU C C 47 177.764 177.590 0.174 1 1 532 . 19 1 1 A 47 47 GLU CA C 47 57.123 57.144 -0.021 1 1 533 . 19 1 1 A 47 47 GLU CB C 47 29.773 30.178 -0.405 1 1 535 . 19 1 1 A 47 47 GLU N N 47 122.069 122.233 -0.164 1 1 536 . 19 1 1 A 48 48 LYS H H 48 8.246 8.120 0.126 1 1 537 . 19 1 1 A 48 48 LYS HA H 48 3.722 4.066 -0.344 1 1 546 . 19 1 1 A 48 48 LYS C C 48 176.588 177.831 -1.243 1 1 547 . 19 1 1 A 48 48 LYS CA C 48 59.774 58.417 1.357 1 1 548 . 19 1 1 A 48 48 LYS CB C 48 33.032 32.545 0.487 1 1 552 . 19 1 1 A 48 48 LYS N N 48 122.857 123.458 -0.601 1 1 553 . 19 1 1 A 49 49 GLU H H 49 8.192 7.771 0.421 1 1 554 . 19 1 1 A 49 49 GLU HA H 49 4.216 4.563 -0.347 1 1 559 . 19 1 1 A 49 49 GLU C C 49 176.987 175.435 1.552 1 1 560 . 19 1 1 A 49 49 GLU CA C 49 57.447 56.134 1.313 1 1 561 . 19 1 1 A 49 49 GLU CB C 49 28.987 30.408 -1.421 1 1 563 . 19 1 1 A 49 49 GLU N N 49 114.305 117.006 -2.701 1 1 564 . 19 1 1 A 50 50 HIS H H 50 8.329 7.601 0.728 1 1 565 . 19 1 1 A 50 50 HIS HA H 50 4.928 5.095 -0.167 1 1 570 . 19 1 1 A 50 50 HIS C C 50 173.255 174.084 -0.829 1 1 571 . 19 1 1 A 50 50 HIS CA C 50 54.372 54.952 -0.580 1 1 572 . 19 1 1 A 50 50 HIS CB C 50 31.082 34.449 -3.367 1 1 575 . 19 1 1 A 50 50 HIS N N 50 120.021 118.055 1.966 1 1 576 . 19 1 1 A 51 51 ASN H H 51 7.687 8.752 -1.065 1 1 577 . 19 1 1 A 51 51 ASN HA H 51 4.259 4.798 -0.539 1 1 582 . 19 1 1 A 51 51 ASN C C 51 174.779 176.169 -1.390 1 1 583 . 19 1 1 A 51 51 ASN CA C 51 52.561 51.716 0.845 1 1 584 . 19 1 1 A 51 51 ASN CB C 51 39.474 41.005 -1.531 1 1 585 . 19 1 1 A 51 51 ASN N N 51 114.158 118.639 -4.481 1 1 587 . 19 1 1 A 52 52 GLU H H 52 8.551 8.540 0.011 1 1 588 . 19 1 1 A 52 52 GLU HA H 52 2.797 3.655 -0.858 1 1 593 . 19 1 1 A 52 52 GLU C C 52 177.117 178.835 -1.718 1 1 594 . 19 1 1 A 52 52 GLU CA C 52 58.155 59.176 -1.021 1 1 595 . 19 1 1 A 52 52 GLU CB C 52 28.912 28.899 0.013 1 1 597 . 19 1 1 A 52 52 GLU N N 52 117.019 121.286 -4.267 1 1 598 . 19 1 1 A 53 53 PHE H H 53 7.855 8.019 -0.164 1 1 599 . 19 1 1 A 53 53 PHE HA H 53 4.371 4.303 0.068 1 1 607 . 19 1 1 A 53 53 PHE C C 53 175.783 176.885 -1.102 1 1 608 . 19 1 1 A 53 53 PHE CA C 53 58.785 60.481 -1.696 1 1 609 . 19 1 1 A 53 53 PHE CB C 53 37.747 38.794 -1.047 1 1 615 . 19 1 1 A 53 53 PHE N N 53 119.462 118.938 0.524 1 1 616 . 19 1 1 A 54 54 ASN H H 54 7.744 7.694 0.050 1 1 617 . 19 1 1 A 54 54 ASN HA H 54 4.948 4.909 0.039 1 1 622 . 19 1 1 A 54 54 ASN C C 54 173.922 173.857 0.065 1 1 623 . 19 1 1 A 54 54 ASN CA C 54 52.102 52.462 -0.360 1 1 624 . 19 1 1 A 54 54 ASN CB C 54 38.637 36.898 1.739 1 1 625 . 19 1 1 A 54 54 ASN N N 54 120.451 115.423 5.028 1 1 627 . 19 1 1 A 55 55 SER H H 55 7.469 7.864 -0.395 1 1 628 . 19 1 1 A 55 55 SER HA H 55 4.710 5.216 -0.506 1 1 631 . 19 1 1 A 55 55 SER C C 55 173.922 173.157 0.765 1 1 632 . 19 1 1 A 55 55 SER CA C 55 57.883 56.267 1.616 1 1 633 . 19 1 1 A 55 55 SER CB C 55 66.064 66.472 -0.408 1 1 634 . 19 1 1 A 55 55 SER N N 55 113.429 114.148 -0.719 1 1 635 . 19 1 1 A 56 56 SER H H 56 8.458 8.196 0.262 1 1 636 . 19 1 1 A 56 56 SER HA H 56 4.632 5.215 -0.583 1 1 639 . 19 1 1 A 56 56 SER C C 56 171.119 173.243 -2.124 1 1 640 . 19 1 1 A 56 56 SER CA C 56 57.866 57.150 0.716 1 1 641 . 19 1 1 A 56 56 SER CB C 56 65.164 64.514 0.650 1 1 642 . 19 1 1 A 56 56 SER N N 56 116.653 117.500 -0.847 1 1 643 . 19 1 1 A 57 57 MET H H 57 8.355 9.010 -0.655 1 1 644 . 19 1 1 A 57 57 MET HA H 57 5.776 5.805 -0.029 1 1 652 . 19 1 1 A 57 57 MET C C 57 175.771 175.051 0.720 1 1 653 . 19 1 1 A 57 57 MET CA C 57 53.913 53.686 0.227 1 1 654 . 19 1 1 A 57 57 MET CB C 57 36.115 35.823 0.292 1 1 657 . 19 1 1 A 57 57 MET N N 57 119.463 124.047 -4.584 1 1 658 . 19 1 1 A 58 58 ALA H H 58 9.547 8.919 0.628 1 1 659 . 19 1 1 A 58 58 ALA HA H 58 4.890 5.138 -0.248 1 1 663 . 19 1 1 A 58 58 ALA C C 58 175.328 175.422 -0.094 1 1 664 . 19 1 1 A 58 58 ALA CA C 58 50.829 50.839 -0.010 1 1 665 . 19 1 1 A 58 58 ALA CB C 58 22.649 24.486 -1.837 1 1 666 . 19 1 1 A 58 58 ALA N N 58 127.410 121.614 5.796 1 1 667 . 19 1 1 A 59 59 ARG H H 59 8.776 8.599 0.177 1 1 668 . 19 1 1 A 59 59 ARG HA H 59 5.567 5.073 0.494 1 1 675 . 19 1 1 A 59 59 ARG C C 59 176.336 175.315 1.021 1 1 676 . 19 1 1 A 59 59 ARG CA C 59 54.843 54.914 -0.071 1 1 677 . 19 1 1 A 59 59 ARG CB C 59 33.691 33.154 0.537 1 1 680 . 19 1 1 A 59 59 ARG N N 59 119.945 118.889 1.056 1 1 681 . 19 1 1 A 60 60 SER H H 60 8.919 9.104 -0.185 1 1 682 . 19 1 1 A 60 60 SER HA H 60 5.011 4.990 0.021 1 1 685 . 19 1 1 A 60 60 SER C C 60 174.614 174.221 0.393 1 1 686 . 19 1 1 A 60 60 SER CA C 60 56.752 56.957 -0.205 1 1 687 . 19 1 1 A 60 60 SER CB C 60 66.198 65.648 0.550 1 1 688 . 19 1 1 A 60 60 SER N N 60 115.274 115.697 -0.423 1 1 689 . 19 1 1 A 61 61 GLN H H 61 9.367 8.673 0.694 1 1 690 . 19 1 1 A 61 61 GLN HA H 61 4.556 4.766 -0.210 1 1 697 . 19 1 1 A 61 61 GLN C C 61 175.391 175.181 0.210 1 1 698 . 19 1 1 A 61 61 GLN CA C 61 57.664 56.421 1.243 1 1 699 . 19 1 1 A 61 61 GLN CB C 61 29.763 29.289 0.474 1 1 701 . 19 1 1 A 61 61 GLN N N 61 124.808 125.787 -0.979 1 1 703 . 19 1 1 A 62 62 THR H H 62 8.075 7.639 0.436 1 1 704 . 19 1 1 A 62 62 THR HA H 62 4.918 4.637 0.281 1 1 709 . 19 1 1 A 62 62 THR C C 62 173.106 172.884 0.222 1 1 710 . 19 1 1 A 62 62 THR CA C 62 59.369 60.448 -1.079 1 1 711 . 19 1 1 A 62 62 THR CB C 62 70.607 69.681 0.926 1 1 713 . 19 1 1 A 62 62 THR N N 62 110.260 114.116 -3.856 1 1 714 . 19 1 1 A 63 63 ASN H H 63 8.575 8.483 0.092 1 1 715 . 19 1 1 A 63 63 ASN HA H 63 3.457 4.020 -0.563 1 1 720 . 19 1 1 A 63 63 ASN C C 63 172.343 173.556 -1.213 1 1 721 . 19 1 1 A 63 63 ASN CA C 63 53.270 52.887 0.383 1 1 722 . 19 1 1 A 63 63 ASN CB C 63 34.441 38.474 -4.033 1 1 723 . 19 1 1 A 63 63 ASN N N 63 119.090 120.936 -1.846 1 1 725 . 19 1 1 A 64 64 THR H H 64 6.850 7.140 -0.290 1 1 726 . 19 1 1 A 64 64 THR HA H 64 4.296 3.870 0.426 1 1 731 . 19 1 1 A 64 64 THR C C 64 172.238 172.159 0.079 1 1 732 . 19 1 1 A 64 64 THR CA C 64 60.501 60.529 -0.028 1 1 733 . 19 1 1 A 64 64 THR CB C 64 71.252 71.090 0.162 1 1 735 . 19 1 1 A 64 64 THR N N 64 111.612 113.349 -1.737 1 1 736 . 19 1 1 A 65 65 ALA H H 65 8.619 8.537 0.082 1 1 737 . 19 1 1 A 65 65 ALA HA H 65 4.595 5.036 -0.441 1 1 741 . 19 1 1 A 65 65 ALA C C 65 174.046 175.174 -1.128 1 1 742 . 19 1 1 A 65 65 ALA CA C 65 52.102 51.506 0.596 1 1 743 . 19 1 1 A 65 65 ALA CB C 65 22.427 22.701 -0.274 1 1 744 . 19 1 1 A 65 65 ALA N N 65 124.370 129.547 -5.177 1 1 745 . 19 1 1 A 66 66 ARG H H 66 8.533 8.610 -0.077 1 1 746 . 19 1 1 A 66 66 ARG HA H 66 4.973 4.966 0.007 1 1 753 . 19 1 1 A 66 66 ARG C C 66 175.240 175.402 -0.162 1 1 754 . 19 1 1 A 66 66 ARG CA C 66 54.560 55.400 -0.840 1 1 755 . 19 1 1 A 66 66 ARG CB C 66 32.088 31.609 0.479 1 1 758 . 19 1 1 A 66 66 ARG N N 66 122.633 123.541 -0.908 1 1 759 . 19 1 1 A 67 67 ILE H H 67 8.967 8.753 0.214 1 1 760 . 19 1 1 A 67 67 ILE HA H 67 4.013 4.244 -0.231 1 1 770 . 19 1 1 A 67 67 ILE C C 67 174.026 174.870 -0.844 1 1 771 . 19 1 1 A 67 67 ILE CA C 67 60.377 60.297 0.080 1 1 772 . 19 1 1 A 67 67 ILE CB C 67 38.044 37.276 0.768 1 1 776 . 19 1 1 A 67 67 ILE N N 67 128.560 127.866 0.694 1 1 777 . 19 1 1 A 68 68 ASP H H 68 8.117 8.605 -0.488 1 1 778 . 19 1 1 A 68 68 ASP HA H 68 5.060 5.044 0.016 1 1 781 . 19 1 1 A 68 68 ASP C C 68 175.792 176.441 -0.649 1 1 782 . 19 1 1 A 68 68 ASP CA C 68 52.474 52.597 -0.123 1 1 783 . 19 1 1 A 68 68 ASP CB C 68 44.116 43.752 0.364 1 1 784 . 19 1 1 A 68 68 ASP N N 68 125.243 125.936 -0.693 1 1 785 . 19 1 1 A 69 69 GLY H H 69 8.568 8.938 -0.370 1 1 786 . 19 1 1 A 69 69 GLY HA2 H 69 3.951 3.956 -0.005 1 1 787 . 19 1 1 A 69 69 GLY HA3 H 69 3.830 3.968 -0.138 1 1 788 . 19 1 1 A 69 69 GLY C C 69 175.359 173.856 1.503 1 1 789 . 19 1 1 A 69 69 GLY CA C 69 46.356 45.103 1.253 1 1 790 . 19 1 1 A 69 69 GLY N N 69 105.736 111.146 -5.410 1 1 791 . 19 1 1 A 70 70 LEU H H 70 7.982 7.638 0.344 1 1 792 . 19 1 1 A 70 70 LEU HA H 70 4.356 4.689 -0.333 1 1 802 . 19 1 1 A 70 70 LEU C C 70 175.151 175.936 -0.785 1 1 803 . 19 1 1 A 70 70 LEU CA C 70 53.110 52.883 0.227 1 1 804 . 19 1 1 A 70 70 LEU CB C 70 40.992 44.005 -3.013 1 1 808 . 19 1 1 A 70 70 LEU N N 70 118.817 120.683 -1.866 1 1 809 . 19 1 1 A 71 71 ARG H H 71 8.148 8.334 -0.186 1 1 810 . 19 1 1 A 71 71 ARG HA H 71 4.922 4.796 0.126 1 1 817 . 19 1 1 A 71 71 ARG C C 71 174.419 173.864 0.555 1 1 818 . 19 1 1 A 71 71 ARG CA C 71 53.534 53.061 0.473 1 1 819 . 19 1 1 A 71 71 ARG CB C 71 32.001 31.160 0.841 1 1 822 . 19 1 1 A 71 71 ARG N N 71 118.182 120.977 -2.795 1 1 823 . 19 1 1 A 72 72 PRO HA H 72 5.168 4.499 0.669 1 1 830 . 19 1 1 A 72 72 PRO C C 72 178.121 177.587 0.534 1 1 831 . 19 1 1 A 72 72 PRO CA C 72 63.416 63.771 -0.355 1 1 832 . 19 1 1 A 72 72 PRO CB C 72 32.908 31.289 1.619 1 1 835 . 19 1 1 A 73 73 GLY H H 73 7.705 9.084 -1.379 1 1 836 . 19 1 1 A 73 73 GLY HA2 H 73 3.856 3.997 -0.141 1 1 837 . 19 1 1 A 73 73 GLY HA3 H 73 3.508 4.003 -0.495 1 1 838 . 19 1 1 A 73 73 GLY C C 73 173.685 173.806 -0.121 1 1 839 . 19 1 1 A 73 73 GLY CA C 73 46.731 46.511 0.220 1 1 840 . 19 1 1 A 73 73 GLY N N 73 112.669 112.433 0.236 1 1 841 . 19 1 1 A 74 74 MET H H 74 7.511 7.505 0.006 1 1 842 . 19 1 1 A 74 74 MET HA H 74 4.742 5.025 -0.283 1 1 850 . 19 1 1 A 74 74 MET C C 74 173.525 174.546 -1.021 1 1 851 . 19 1 1 A 74 74 MET CA C 74 53.216 54.417 -1.201 1 1 852 . 19 1 1 A 74 74 MET CB C 74 33.610 37.114 -3.504 1 1 855 . 19 1 1 A 74 74 MET N N 74 119.820 118.514 1.306 1 1 856 . 19 1 1 A 75 75 VAL H H 75 7.651 8.561 -0.910 1 1 857 . 19 1 1 A 75 75 VAL HA H 75 4.361 4.721 -0.360 1 1 865 . 19 1 1 A 75 75 VAL C C 75 174.677 174.853 -0.176 1 1 866 . 19 1 1 A 75 75 VAL CA C 75 61.581 61.624 -0.043 1 1 867 . 19 1 1 A 75 75 VAL CB C 75 32.345 32.391 -0.046 1 1 870 . 19 1 1 A 75 75 VAL N N 75 121.287 122.965 -1.678 1 1 871 . 19 1 1 A 76 76 TYR H H 76 9.405 8.903 0.502 1 1 872 . 19 1 1 A 76 76 TYR HA H 76 4.743 5.009 -0.266 1 1 879 . 19 1 1 A 76 76 TYR C C 76 174.740 174.731 0.009 1 1 880 . 19 1 1 A 76 76 TYR CA C 76 57.424 56.637 0.787 1 1 881 . 19 1 1 A 76 76 TYR CB C 76 41.151 42.211 -1.060 1 1 886 . 19 1 1 A 76 76 TYR N N 76 126.231 125.599 0.632 1 1 887 . 19 1 1 A 77 77 VAL H H 77 8.867 8.507 0.360 1 1 888 . 19 1 1 A 77 77 VAL HA H 77 4.318 4.446 -0.128 1 1 896 . 19 1 1 A 77 77 VAL C C 77 175.773 174.888 0.885 1 1 897 . 19 1 1 A 77 77 VAL CA C 77 61.473 62.275 -0.802 1 1 898 . 19 1 1 A 77 77 VAL CB C 77 31.218 31.472 -0.254 1 1 901 . 19 1 1 A 77 77 VAL N N 77 123.699 124.072 -0.373 1 1 902 . 19 1 1 A 78 78 VAL H H 78 8.683 9.033 -0.350 1 1 903 . 19 1 1 A 78 78 VAL HA H 78 4.995 4.995 0.000 1 1 911 . 19 1 1 A 78 78 VAL C C 78 175.275 174.971 0.304 1 1 912 . 19 1 1 A 78 78 VAL CA C 78 60.942 60.806 0.136 1 1 913 . 19 1 1 A 78 78 VAL CB C 78 34.790 34.058 0.732 1 1 916 . 19 1 1 A 78 78 VAL N N 78 124.155 129.094 -4.939 1 1 917 . 19 1 1 A 79 79 GLN H H 79 8.613 8.393 0.220 1 1 918 . 19 1 1 A 79 79 GLN HA H 79 4.511 4.923 -0.412 1 1 925 . 19 1 1 A 79 79 GLN C C 79 173.361 174.094 -0.733 1 1 926 . 19 1 1 A 79 79 GLN CA C 79 54.666 54.103 0.563 1 1 927 . 19 1 1 A 79 79 GLN CB C 79 36.751 32.606 4.145 1 1 929 . 19 1 1 A 79 79 GLN N N 79 121.693 125.001 -3.308 1 1 931 . 19 1 1 A 80 80 VAL H H 80 9.019 8.826 0.193 1 1 932 . 19 1 1 A 80 80 VAL HA H 80 5.801 4.970 0.831 1 1 940 . 19 1 1 A 80 80 VAL C C 80 174.526 173.941 0.585 1 1 941 . 19 1 1 A 80 80 VAL CA C 80 58.750 59.180 -0.430 1 1 942 . 19 1 1 A 80 80 VAL CB C 80 35.479 35.252 0.227 1 1 945 . 19 1 1 A 80 80 VAL N N 80 118.559 120.588 -2.029 1 1 946 . 19 1 1 A 81 81 ARG H H 81 9.199 8.773 0.426 1 1 947 . 19 1 1 A 81 81 ARG HA H 81 4.951 5.003 -0.052 1 1 955 . 19 1 1 A 81 81 ARG C C 81 172.660 174.169 -1.509 1 1 956 . 19 1 1 A 81 81 ARG CA C 81 54.295 53.870 0.425 1 1 957 . 19 1 1 A 81 81 ARG CB C 81 33.750 33.809 -0.059 1 1 960 . 19 1 1 A 81 81 ARG N N 81 125.225 125.181 0.044 1 1 962 . 19 1 1 A 82 82 ALA H H 82 8.762 8.841 -0.079 1 1 963 . 19 1 1 A 82 82 ALA HA H 82 4.820 5.271 -0.451 1 1 967 . 19 1 1 A 82 82 ALA C C 82 174.783 175.274 -0.491 1 1 968 . 19 1 1 A 82 82 ALA CA C 82 50.741 50.233 0.508 1 1 969 . 19 1 1 A 82 82 ALA CB C 82 22.383 21.323 1.060 1 1 970 . 19 1 1 A 82 82 ALA N N 82 124.292 122.790 1.502 1 1 971 . 19 1 1 A 83 83 ARG H H 83 8.336 8.378 -0.042 1 1 972 . 19 1 1 A 83 83 ARG HA H 83 4.737 4.763 -0.026 1 1 980 . 19 1 1 A 83 83 ARG C C 83 175.290 175.006 0.284 1 1 981 . 19 1 1 A 83 83 ARG CA C 83 55.727 54.351 1.376 1 1 982 . 19 1 1 A 83 83 ARG CB C 83 34.562 32.106 2.456 1 1 985 . 19 1 1 A 83 83 ARG N N 83 121.023 123.915 -2.892 1 1 987 . 19 1 1 A 84 84 THR H H 84 8.485 8.732 -0.247 1 1 988 . 19 1 1 A 84 84 THR HA H 84 4.875 4.900 -0.025 1 1 993 . 19 1 1 A 84 84 THR C C 84 176.218 175.226 0.992 1 1 994 . 19 1 1 A 84 84 THR CA C 84 59.475 59.016 0.459 1 1 995 . 19 1 1 A 84 84 THR CB C 84 72.440 72.316 0.124 1 1 997 . 19 1 1 A 84 84 THR N N 84 116.374 116.957 -0.583 1 1 998 . 19 1 1 A 85 85 VAL H H 85 9.283 8.770 0.513 1 1 999 . 19 1 1 A 85 85 VAL HA H 85 3.794 3.821 -0.027 1 1 1007 . 19 1 1 A 85 85 VAL C C 85 175.930 177.582 -1.652 1 1 1008 . 19 1 1 A 85 85 VAL CA C 85 64.934 64.962 -0.028 1 1 1009 . 19 1 1 A 85 85 VAL CB C 85 31.621 31.702 -0.081 1 1 1012 . 19 1 1 A 85 85 VAL N N 85 119.099 122.525 -3.426 1 1 1013 . 19 1 1 A 86 86 ALA H H 86 7.840 7.829 0.011 1 1 1014 . 19 1 1 A 86 86 ALA HA H 86 4.242 4.064 0.178 1 1 1018 . 19 1 1 A 86 86 ALA C C 86 177.467 177.619 -0.152 1 1 1019 . 19 1 1 A 86 86 ALA CA C 86 52.774 54.740 -1.966 1 1 1020 . 19 1 1 A 86 86 ALA CB C 86 19.733 19.919 -0.186 1 1 1021 . 19 1 1 A 86 86 ALA N N 86 121.263 123.531 -2.268 1 1 1022 . 19 1 1 A 87 87 GLY H H 87 7.365 7.014 0.351 1 1 1023 . 19 1 1 A 87 87 GLY HA2 H 87 4.402 4.119 0.283 1 1 1024 . 19 1 1 A 87 87 GLY HA3 H 87 3.588 4.134 -0.546 1 1 1025 . 19 1 1 A 87 87 GLY C C 87 171.960 171.026 0.934 1 1 1026 . 19 1 1 A 87 87 GLY CA C 87 44.170 46.178 -2.008 1 1 1027 . 19 1 1 A 87 87 GLY N N 87 105.736 102.103 3.633 1 1 1028 . 19 1 1 A 88 88 TYR H H 88 8.444 8.575 -0.131 1 1 1029 . 19 1 1 A 88 88 TYR HA H 88 5.063 5.242 -0.179 1 1 1036 . 19 1 1 A 88 88 TYR C C 88 179.239 175.268 3.971 1 1 1037 . 19 1 1 A 88 88 TYR CA C 88 58.308 55.517 2.791 1 1 1038 . 19 1 1 A 88 88 TYR CB C 88 41.442 41.179 0.263 1 1 1043 . 19 1 1 A 88 88 TYR N N 88 116.996 120.314 -3.318 1 1 1044 . 19 1 1 A 89 89 GLY H H 89 8.676 8.286 0.390 1 1 1045 . 19 1 1 A 89 89 GLY HA2 H 89 4.324 4.237 0.087 1 1 1046 . 19 1 1 A 89 89 GLY HA3 H 89 3.973 4.253 -0.280 1 1 1047 . 19 1 1 A 89 89 GLY C C 89 173.844 173.542 0.302 1 1 1048 . 19 1 1 A 89 89 GLY CA C 89 43.916 44.045 -0.129 1 1 1049 . 19 1 1 A 89 89 GLY N N 89 107.850 110.499 -2.649 1 1 1050 . 19 1 1 A 90 90 LYS H H 90 8.711 8.238 0.473 1 1 1051 . 19 1 1 A 90 90 LYS HA H 90 4.166 4.103 0.063 1 1 1060 . 19 1 1 A 90 90 LYS C C 90 177.819 175.755 2.064 1 1 1061 . 19 1 1 A 90 90 LYS CA C 90 56.162 55.881 0.281 1 1 1062 . 19 1 1 A 90 90 LYS CB C 90 32.730 32.729 0.001 1 1 1066 . 19 1 1 A 90 90 LYS N N 90 119.382 119.054 0.328 1 1 1067 . 19 1 1 A 91 91 PHE H H 91 8.698 8.808 -0.110 1 1 1068 . 19 1 1 A 91 91 PHE HA H 91 4.241 4.948 -0.707 1 1 1076 . 19 1 1 A 91 91 PHE C C 91 176.805 175.934 0.871 1 1 1077 . 19 1 1 A 91 91 PHE CA C 91 61.027 57.706 3.321 1 1 1078 . 19 1 1 A 91 91 PHE CB C 91 39.995 40.522 -0.527 1 1 1084 . 19 1 1 A 91 91 PHE N N 91 120.691 118.742 1.949 1 1 1085 . 19 1 1 A 92 92 SER H H 92 8.311 9.122 -0.811 1 1 1086 . 19 1 1 A 92 92 SER HA H 92 4.259 4.642 -0.383 1 1 1089 . 19 1 1 A 92 92 SER C C 92 173.499 174.944 -1.445 1 1 1090 . 19 1 1 A 92 92 SER CA C 92 58.146 57.843 0.303 1 1 1091 . 19 1 1 A 92 92 SER CB C 92 65.329 65.197 0.132 1 1 1092 . 19 1 1 A 92 92 SER N N 92 115.098 116.526 -1.428 1 1 1093 . 19 1 1 A 93 93 GLY H H 93 8.869 8.494 0.375 1 1 1094 . 19 1 1 A 93 93 GLY HA2 H 93 4.071 4.026 0.045 1 1 1095 . 19 1 1 A 93 93 GLY HA3 H 93 3.780 4.038 -0.258 1 1 1096 . 19 1 1 A 93 93 GLY C C 93 174.375 172.982 1.393 1 1 1097 . 19 1 1 A 93 93 GLY CA C 93 45.331 45.342 -0.011 1 1 1098 . 19 1 1 A 93 93 GLY N N 93 106.252 107.893 -1.641 1 1 1099 . 19 1 1 A 94 94 LYS H H 94 8.619 8.381 0.238 1 1 1100 . 19 1 1 A 94 94 LYS HA H 94 3.633 4.711 -1.078 1 1 1109 . 19 1 1 A 94 94 LYS C C 94 176.004 174.914 1.090 1 1 1110 . 19 1 1 A 94 94 LYS CA C 94 59.068 55.207 3.861 1 1 1111 . 19 1 1 A 94 94 LYS CB C 94 33.072 33.415 -0.343 1 1 1115 . 19 1 1 A 94 94 LYS N N 94 122.645 122.582 0.063 1 1 1116 . 19 1 1 A 95 95 MET H H 95 7.547 8.980 -1.433 1 1 1117 . 19 1 1 A 95 95 MET HA H 95 4.520 5.013 -0.493 1 1 1125 . 19 1 1 A 95 95 MET C C 95 173.400 174.216 -0.816 1 1 1126 . 19 1 1 A 95 95 MET CA C 95 54.701 53.696 1.005 1 1 1127 . 19 1 1 A 95 95 MET CB C 95 37.784 35.469 2.315 1 1 1130 . 19 1 1 A 95 95 MET N N 95 122.392 126.891 -4.499 1 1 1131 . 19 1 1 A 96 96 CYS H H 96 7.888 8.694 -0.806 1 1 1132 . 19 1 1 A 96 96 CYS HA H 96 5.465 5.103 0.362 1 1 1135 . 19 1 1 A 96 96 CYS C C 96 173.757 172.949 0.808 1 1 1136 . 19 1 1 A 96 96 CYS CA C 96 57.353 57.063 0.290 1 1 1137 . 19 1 1 A 96 96 CYS CB C 96 29.941 29.530 0.411 1 1 1138 . 19 1 1 A 96 96 CYS N N 96 117.124 120.967 -3.843 1 1 1139 . 19 1 1 A 97 97 PHE H H 97 9.133 8.737 0.396 1 1 1140 . 19 1 1 A 97 97 PHE HA H 97 4.879 5.072 -0.193 1 1 1148 . 19 1 1 A 97 97 PHE C C 97 173.309 174.337 -1.028 1 1 1149 . 19 1 1 A 97 97 PHE CA C 97 56.983 56.420 0.563 1 1 1150 . 19 1 1 A 97 97 PHE CB C 97 44.074 41.736 2.338 1 1 1156 . 19 1 1 A 97 97 PHE N N 97 121.239 122.864 -1.625 1 1 1157 . 19 1 1 A 98 98 GLN H H 98 8.884 8.961 -0.077 1 1 1158 . 19 1 1 A 98 98 GLN HA H 98 5.809 5.134 0.675 1 1 1165 . 19 1 1 A 98 98 GLN C C 98 176.454 176.028 0.426 1 1 1166 . 19 1 1 A 98 98 GLN CA C 98 54.125 54.528 -0.403 1 1 1167 . 19 1 1 A 98 98 GLN CB C 98 33.444 30.298 3.146 1 1 1169 . 19 1 1 A 98 98 GLN N N 98 120.699 124.733 -4.034 1 1 1171 . 19 1 1 A 99 99 THR H H 99 8.176 8.174 0.002 1 1 1172 . 19 1 1 A 99 99 THR HA H 99 4.324 4.675 -0.351 1 1 1177 . 19 1 1 A 99 99 THR C C 99 175.929 174.130 1.799 1 1 1178 . 19 1 1 A 99 99 THR CA C 99 60.341 61.149 -0.808 1 1 1179 . 19 1 1 A 99 99 THR CB C 99 70.070 71.791 -1.721 1 1 1181 . 19 1 1 A 99 99 THR N N 99 112.214 115.642 -3.428 1 1 1182 . 19 1 1 A 100 100 LEU H H 100 7.368 8.507 -1.139 1 1 1183 . 19 1 1 A 100 100 LEU HA H 100 4.310 4.469 -0.159 1 1 1193 . 19 1 1 A 100 100 LEU C C 100 177.359 176.705 0.654 1 1 1194 . 19 1 1 A 100 100 LEU CA C 100 54.790 54.905 -0.115 1 1 1195 . 19 1 1 A 100 100 LEU CB C 100 42.096 42.165 -0.069 1 1 1199 . 19 1 1 A 100 100 LEU N N 100 117.018 122.360 -5.342 1 1 1200 . 19 1 1 A 101 101 THR H H 101 7.997 8.596 -0.599 1 1 1201 . 19 1 1 A 101 101 THR HA H 101 4.123 4.714 -0.591 1 1 1206 . 19 1 1 A 101 101 THR C C 101 174.014 174.859 -0.845 1 1 1207 . 19 1 1 A 101 101 THR CA C 101 61.968 61.118 0.850 1 1 1208 . 19 1 1 A 101 101 THR CB C 101 70.172 69.333 0.839 1 1 1210 . 19 1 1 A 101 101 THR N N 101 110.428 117.269 -6.841 1 1 1211 . 19 1 1 A 102 102 ASP H H 102 8.320 8.910 -0.590 1 1 1212 . 19 1 1 A 102 102 ASP HA H 102 4.853 4.268 0.585 1 1 1215 . 19 1 1 A 102 102 ASP C C 102 176.204 177.908 -1.704 1 1 1216 . 19 1 1 A 102 102 ASP CA C 102 53.694 57.851 -4.157 1 1 1217 . 19 1 1 A 102 102 ASP CB C 102 41.808 41.059 0.749 1 1 1218 . 19 1 1 A 102 102 ASP N N 102 120.693 126.161 -5.468 1 1 1219 . 19 1 1 A 103 103 SER H H 103 8.294 7.997 0.297 1 1 1220 . 19 1 1 A 103 103 SER HA H 103 4.486 4.230 0.256 1 1 1223 . 19 1 1 A 103 103 SER C C 103 174.875 175.083 -0.208 1 1 1224 . 19 1 1 A 103 103 SER CA C 103 58.361 62.059 -3.698 1 1 1225 . 19 1 1 A 103 103 SER CB C 103 63.942 63.398 0.544 1 1 1226 . 19 1 1 A 103 103 SER N N 103 117.442 114.352 3.090 1 1 1227 . 19 1 1 A 104 104 GLY H H 104 8.393 7.253 1.140 1 1 1228 . 19 1 1 A 104 104 GLY HA2 H 104 4.104 4.051 0.053 1 1 1229 . 19 1 1 A 104 104 GLY HA3 H 104 4.104 4.051 0.053 1 1 1230 . 19 1 1 A 104 104 GLY C C 104 172.016 174.007 -1.991 1 1 1231 . 19 1 1 A 104 104 GLY CA C 104 44.800 45.367 -0.567 1 1 1232 . 19 1 1 A 104 104 GLY N N 104 111.065 104.723 6.342 1 1 1233 . 19 1 1 A 105 105 PRO HA H 105 4.475 4.378 0.097 1 1 1240 . 19 1 1 A 105 105 PRO C C 105 177.464 176.807 0.657 1 1 1241 . 19 1 1 A 105 105 PRO CA C 105 63.329 64.817 -1.488 1 1 1242 . 19 1 1 A 105 105 PRO CB C 105 32.249 32.114 0.135 1 1 1245 . 19 1 1 A 106 106 SER H H 106 8.514 7.986 0.528 1 1 1246 . 19 1 1 A 106 106 SER HA H 106 4.512 4.353 0.159 1 1 1249 . 19 1 1 A 106 106 SER C C 106 174.735 175.093 -0.358 1 1 1250 . 19 1 1 A 106 106 SER CA C 106 58.361 58.299 0.062 1 1 1251 . 19 1 1 A 106 106 SER CB C 106 63.820 64.041 -0.221 1 1 1252 . 19 1 1 A 106 106 SER N N 106 116.429 114.242 2.187 1 1 1253 . 19 1 1 A 107 107 SER H H 107 8.329 8.954 -0.625 1 1 1254 . 19 1 1 A 107 107 SER HA H 107 4.512 4.272 0.240 1 1 1257 . 19 1 1 A 107 107 SER C C 107 174.004 175.250 -1.246 1 1 1258 . 19 1 1 A 107 107 SER CA C 107 58.414 60.828 -2.414 1 1 1259 . 19 1 1 A 107 107 SER CB C 107 64.014 63.668 0.346 1 1 1260 . 19 1 1 A 107 107 SER N N 107 117.919 123.619 -5.700 1 1 1 . 20 1 1 A 6 6 SER HA H 6 4.523 4.792 -0.269 1 1 3 . 20 1 1 A 6 6 SER CA C 6 58.535 56.867 1.668 1 1 4 . 20 1 1 A 6 6 SER CB C 6 64.106 64.145 -0.039 1 1 5 . 20 1 1 A 7 7 GLY H H 7 8.202 8.281 -0.079 1 1 6 . 20 1 1 A 7 7 GLY HA2 H 7 3.881 4.099 -0.218 1 1 7 . 20 1 1 A 7 7 GLY HA3 H 7 3.740 4.099 -0.359 1 1 8 . 20 1 1 A 7 7 GLY CA C 7 44.322 44.348 -0.026 1 1 9 . 20 1 1 A 7 7 GLY N N 7 109.573 114.884 -5.311 1 1 10 . 20 1 1 A 8 8 PRO HA H 8 4.641 4.537 0.104 1 1 17 . 20 1 1 A 8 8 PRO C C 8 176.480 176.777 -0.297 1 1 18 . 20 1 1 A 8 8 PRO CA C 8 62.582 62.545 0.037 1 1 19 . 20 1 1 A 8 8 PRO CB C 8 32.331 32.222 0.109 1 1 22 . 20 1 1 A 9 9 SER H H 9 8.061 8.802 -0.741 1 1 23 . 20 1 1 A 9 9 SER HA H 9 4.374 4.453 -0.079 1 1 26 . 20 1 1 A 9 9 SER C C 9 173.090 173.471 -0.381 1 1 27 . 20 1 1 A 9 9 SER CA C 9 58.754 58.747 0.007 1 1 28 . 20 1 1 A 9 9 SER CB C 9 63.667 63.871 -0.204 1 1 29 . 20 1 1 A 9 9 SER N N 9 115.137 117.706 -2.569 1 1 30 . 20 1 1 A 10 10 THR H H 10 8.359 8.563 -0.204 1 1 31 . 20 1 1 A 10 10 THR HA H 10 4.027 4.942 -0.915 1 1 36 . 20 1 1 A 10 10 THR C C 10 175.380 173.542 1.838 1 1 37 . 20 1 1 A 10 10 THR CA C 10 62.781 60.417 2.364 1 1 38 . 20 1 1 A 10 10 THR CB C 10 69.617 72.227 -2.610 1 1 40 . 20 1 1 A 10 10 THR N N 10 115.079 117.974 -2.895 1 1 41 . 20 1 1 A 11 11 VAL H H 11 9.280 8.761 0.519 1 1 42 . 20 1 1 A 11 11 VAL HA H 11 4.097 4.122 -0.025 1 1 50 . 20 1 1 A 11 11 VAL C C 11 175.706 176.367 -0.661 1 1 51 . 20 1 1 A 11 11 VAL CA C 11 61.518 61.654 -0.136 1 1 52 . 20 1 1 A 11 11 VAL CB C 11 33.174 32.116 1.058 1 1 55 . 20 1 1 A 11 11 VAL N N 11 131.182 127.607 3.575 1 1 56 . 20 1 1 A 12 12 PRO HA H 12 4.415 4.505 -0.090 1 1 63 . 20 1 1 A 12 12 PRO C C 12 175.612 176.389 -0.777 1 1 64 . 20 1 1 A 12 12 PRO CA C 12 64.850 64.889 -0.039 1 1 65 . 20 1 1 A 12 12 PRO CB C 12 32.578 32.248 0.330 1 1 68 . 20 1 1 A 13 13 ILE H H 13 7.251 7.592 -0.341 1 1 69 . 20 1 1 A 13 13 ILE HA H 13 4.439 4.649 -0.210 1 1 79 . 20 1 1 A 13 13 ILE C C 13 170.969 173.351 -2.382 1 1 80 . 20 1 1 A 13 13 ILE CA C 13 59.973 59.296 0.677 1 1 81 . 20 1 1 A 13 13 ILE CB C 13 40.776 41.447 -0.671 1 1 85 . 20 1 1 A 13 13 ILE N N 13 115.827 116.025 -0.198 1 1 86 . 20 1 1 A 14 14 MET H H 14 6.827 8.737 -1.910 1 1 87 . 20 1 1 A 14 14 MET HA H 14 4.961 5.528 -0.567 1 1 95 . 20 1 1 A 14 14 MET C C 14 173.380 175.098 -1.718 1 1 96 . 20 1 1 A 14 14 MET CA C 14 55.214 54.029 1.185 1 1 97 . 20 1 1 A 14 14 MET CB C 14 38.223 35.631 2.592 1 1 100 . 20 1 1 A 14 14 MET N N 14 116.754 125.469 -8.715 1 1 101 . 20 1 1 A 15 15 HIS H H 15 9.417 9.264 0.153 1 1 102 . 20 1 1 A 15 15 HIS HA H 15 4.958 5.166 -0.208 1 1 107 . 20 1 1 A 15 15 HIS C C 15 173.901 173.830 0.071 1 1 108 . 20 1 1 A 15 15 HIS CA C 15 55.190 54.387 0.803 1 1 109 . 20 1 1 A 15 15 HIS CB C 15 33.361 33.060 0.301 1 1 112 . 20 1 1 A 15 15 HIS N N 15 118.539 118.551 -0.012 1 1 113 . 20 1 1 A 16 16 GLN H H 16 9.164 8.901 0.263 1 1 114 . 20 1 1 A 16 16 GLN HA H 16 4.385 4.470 -0.085 1 1 121 . 20 1 1 A 16 16 GLN C C 16 175.463 175.229 0.234 1 1 122 . 20 1 1 A 16 16 GLN CA C 16 55.992 55.633 0.359 1 1 123 . 20 1 1 A 16 16 GLN CB C 16 29.159 30.291 -1.132 1 1 125 . 20 1 1 A 16 16 GLN N N 16 123.267 125.013 -1.746 1 1 127 . 20 1 1 A 17 17 VAL H H 17 8.983 8.432 0.551 1 1 128 . 20 1 1 A 17 17 VAL HA H 17 3.910 4.144 -0.234 1 1 136 . 20 1 1 A 17 17 VAL C C 17 176.328 176.005 0.323 1 1 137 . 20 1 1 A 17 17 VAL CA C 17 63.807 63.428 0.379 1 1 138 . 20 1 1 A 17 17 VAL CB C 17 33.088 33.090 -0.002 1 1 141 . 20 1 1 A 17 17 VAL N N 17 128.880 127.316 1.564 1 1 142 . 20 1 1 A 18 18 SER H H 18 7.740 7.884 -0.144 1 1 143 . 20 1 1 A 18 18 SER HA H 18 4.589 4.741 -0.152 1 1 146 . 20 1 1 A 18 18 SER C C 18 171.965 172.618 -0.653 1 1 147 . 20 1 1 A 18 18 SER CA C 18 57.441 57.575 -0.134 1 1 148 . 20 1 1 A 18 18 SER CB C 18 64.058 65.711 -1.653 1 1 149 . 20 1 1 A 18 18 SER N N 18 110.447 111.801 -1.354 1 1 150 . 20 1 1 A 19 19 ALA H H 19 8.114 8.414 -0.300 1 1 151 . 20 1 1 A 19 19 ALA HA H 19 5.086 4.806 0.280 1 1 155 . 20 1 1 A 19 19 ALA C C 19 176.404 176.206 0.198 1 1 156 . 20 1 1 A 19 19 ALA CA C 19 52.453 51.596 0.857 1 1 157 . 20 1 1 A 19 19 ALA CB C 19 23.038 23.057 -0.019 1 1 158 . 20 1 1 A 19 19 ALA N N 19 121.116 121.469 -0.353 1 1 159 . 20 1 1 A 20 20 THR H H 20 8.710 8.304 0.406 1 1 160 . 20 1 1 A 20 20 THR HA H 20 4.787 4.883 -0.096 1 1 165 . 20 1 1 A 20 20 THR C C 20 175.596 174.633 0.963 1 1 166 . 20 1 1 A 20 20 THR CA C 20 60.341 59.979 0.362 1 1 167 . 20 1 1 A 20 20 THR CB C 20 71.307 71.052 0.255 1 1 169 . 20 1 1 A 20 20 THR N N 20 110.762 110.242 0.520 1 1 170 . 20 1 1 A 21 21 MET H H 21 8.686 8.775 -0.089 1 1 171 . 20 1 1 A 21 21 MET HA H 21 4.618 4.408 0.210 1 1 179 . 20 1 1 A 21 21 MET C C 21 174.754 176.824 -2.070 1 1 180 . 20 1 1 A 21 21 MET CA C 21 59.272 57.108 2.164 1 1 181 . 20 1 1 A 21 21 MET CB C 21 34.488 32.709 1.779 1 1 184 . 20 1 1 A 21 21 MET N N 21 118.478 119.941 -1.463 1 1 185 . 20 1 1 A 22 22 ARG H H 22 7.296 7.810 -0.514 1 1 186 . 20 1 1 A 22 22 ARG HA H 22 4.453 4.816 -0.363 1 1 193 . 20 1 1 A 22 22 ARG C C 22 174.722 175.204 -0.482 1 1 194 . 20 1 1 A 22 22 ARG CA C 22 54.218 55.341 -1.123 1 1 195 . 20 1 1 A 22 22 ARG CB C 22 32.509 31.834 0.675 1 1 198 . 20 1 1 A 22 22 ARG N N 22 108.176 117.646 -9.470 1 1 199 . 20 1 1 A 23 23 SER H H 23 7.387 7.788 -0.401 1 1 200 . 20 1 1 A 23 23 SER HA H 23 5.353 4.938 0.415 1 1 203 . 20 1 1 A 23 23 SER C C 23 171.910 172.360 -0.450 1 1 204 . 20 1 1 A 23 23 SER CA C 23 57.230 57.627 -0.397 1 1 205 . 20 1 1 A 23 23 SER CB C 23 68.011 67.356 0.655 1 1 206 . 20 1 1 A 23 23 SER N N 23 114.861 114.453 0.408 1 1 207 . 20 1 1 A 24 24 ILE H H 24 8.061 8.514 -0.453 1 1 208 . 20 1 1 A 24 24 ILE HA H 24 4.470 4.742 -0.272 1 1 218 . 20 1 1 A 24 24 ILE C C 24 174.028 174.634 -0.606 1 1 219 . 20 1 1 A 24 24 ILE CA C 24 61.402 59.928 1.474 1 1 220 . 20 1 1 A 24 24 ILE CB C 24 43.249 41.931 1.318 1 1 224 . 20 1 1 A 24 24 ILE N N 24 116.152 120.997 -4.845 1 1 225 . 20 1 1 A 25 25 THR H H 25 8.584 8.761 -0.177 1 1 226 . 20 1 1 A 25 25 THR HA H 25 5.107 4.861 0.246 1 1 231 . 20 1 1 A 25 25 THR C C 25 173.463 173.318 0.145 1 1 232 . 20 1 1 A 25 25 THR CA C 25 62.127 61.868 0.259 1 1 233 . 20 1 1 A 25 25 THR CB C 25 68.954 70.246 -1.292 1 1 235 . 20 1 1 A 25 25 THR N N 25 122.080 122.881 -0.801 1 1 236 . 20 1 1 A 26 26 LEU H H 26 9.093 8.545 0.548 1 1 237 . 20 1 1 A 26 26 LEU HA H 26 5.427 5.043 0.384 1 1 247 . 20 1 1 A 26 26 LEU C C 26 175.180 175.008 0.172 1 1 248 . 20 1 1 A 26 26 LEU CA C 26 53.181 53.350 -0.169 1 1 249 . 20 1 1 A 26 26 LEU CB C 26 46.902 46.744 0.158 1 1 253 . 20 1 1 A 26 26 LEU N N 26 128.231 126.591 1.640 1 1 254 . 20 1 1 A 27 27 SER H H 27 9.260 8.564 0.696 1 1 255 . 20 1 1 A 27 27 SER HA H 27 4.757 4.872 -0.115 1 1 258 . 20 1 1 A 27 27 SER C C 27 172.413 173.174 -0.761 1 1 259 . 20 1 1 A 27 27 SER CA C 27 56.912 57.273 -0.361 1 1 260 . 20 1 1 A 27 27 SER CB C 27 66.220 66.176 0.044 1 1 261 . 20 1 1 A 27 27 SER N N 27 115.325 112.264 3.061 1 1 262 . 20 1 1 A 28 28 TRP H H 28 7.430 8.003 -0.573 1 1 263 . 20 1 1 A 28 28 TRP HA H 28 5.212 5.309 -0.097 1 1 272 . 20 1 1 A 28 28 TRP C C 28 171.555 172.977 -1.422 1 1 273 . 20 1 1 A 28 28 TRP CA C 28 55.143 55.093 0.050 1 1 274 . 20 1 1 A 28 28 TRP CB C 28 28.918 30.497 -1.579 1 1 280 . 20 1 1 A 28 28 TRP N N 28 119.703 118.641 1.062 1 1 282 . 20 1 1 A 29 29 PRO HA H 29 4.543 4.582 -0.039 1 1 289 . 20 1 1 A 29 29 PRO C C 29 175.962 176.152 -0.190 1 1 290 . 20 1 1 A 29 29 PRO CA C 29 61.702 62.696 -0.994 1 1 291 . 20 1 1 A 29 29 PRO CB C 29 32.041 32.580 -0.539 1 1 294 . 20 1 1 A 30 30 GLN H H 30 8.248 8.534 -0.286 1 1 295 . 20 1 1 A 30 30 GLN HA H 30 4.654 4.642 0.012 1 1 302 . 20 1 1 A 30 30 GLN C C 30 174.856 174.758 0.098 1 1 303 . 20 1 1 A 30 30 GLN CA C 30 54.524 53.862 0.662 1 1 304 . 20 1 1 A 30 30 GLN CB C 30 28.623 29.726 -1.103 1 1 306 . 20 1 1 A 30 30 GLN N N 30 117.321 121.218 -3.897 1 1 308 . 20 1 1 A 31 31 PRO HA H 31 4.116 4.736 -0.620 1 1 315 . 20 1 1 A 31 31 PRO C C 31 175.787 176.319 -0.532 1 1 316 . 20 1 1 A 31 31 PRO CA C 31 63.364 62.921 0.443 1 1 317 . 20 1 1 A 31 31 PRO CB C 31 32.503 32.763 -0.260 1 1 320 . 20 1 1 A 32 32 GLU H H 32 8.367 8.382 -0.015 1 1 321 . 20 1 1 A 32 32 GLU HA H 32 4.004 4.475 -0.471 1 1 326 . 20 1 1 A 32 32 GLU C C 32 176.748 176.805 -0.057 1 1 327 . 20 1 1 A 32 32 GLU CA C 32 58.644 56.474 2.170 1 1 328 . 20 1 1 A 32 32 GLU CB C 32 30.271 30.261 0.010 1 1 330 . 20 1 1 A 32 32 GLU N N 32 122.959 118.883 4.076 1 1 331 . 20 1 1 A 33 33 GLN H H 33 8.220 7.732 0.488 1 1 332 . 20 1 1 A 33 33 GLN HA H 33 4.820 4.873 -0.053 1 1 339 . 20 1 1 A 33 33 GLN C C 33 172.938 174.313 -1.375 1 1 340 . 20 1 1 A 33 33 GLN CA C 33 52.544 53.497 -0.953 1 1 341 . 20 1 1 A 33 33 GLN CB C 33 29.077 29.267 -0.190 1 1 343 . 20 1 1 A 33 33 GLN N N 33 116.413 119.325 -2.912 1 1 345 . 20 1 1 A 34 34 PRO HA H 34 4.039 4.417 -0.378 1 1 352 . 20 1 1 A 34 34 PRO C C 34 175.293 176.642 -1.349 1 1 353 . 20 1 1 A 34 34 PRO CA C 34 64.248 63.637 0.611 1 1 354 . 20 1 1 A 34 34 PRO CB C 34 31.974 32.131 -0.157 1 1 357 . 20 1 1 A 35 35 ASN H H 35 8.478 8.099 0.379 1 1 358 . 20 1 1 A 35 35 ASN HA H 35 4.270 4.399 -0.129 1 1 363 . 20 1 1 A 35 35 ASN C C 35 173.982 174.473 -0.491 1 1 364 . 20 1 1 A 35 35 ASN CA C 35 53.655 54.562 -0.907 1 1 365 . 20 1 1 A 35 35 ASN CB C 35 37.151 37.105 0.046 1 1 366 . 20 1 1 A 35 35 ASN N N 35 111.907 115.112 -3.205 1 1 368 . 20 1 1 A 36 36 GLY H H 36 7.537 7.802 -0.265 1 1 369 . 20 1 1 A 36 36 GLY HA2 H 36 4.247 3.996 0.251 1 1 370 . 20 1 1 A 36 36 GLY HA3 H 36 3.749 4.006 -0.257 1 1 371 . 20 1 1 A 36 36 GLY C C 36 172.062 172.465 -0.403 1 1 372 . 20 1 1 A 36 36 GLY CA C 36 44.147 44.456 -0.309 1 1 373 . 20 1 1 A 36 36 GLY N N 36 105.149 106.920 -1.771 1 1 374 . 20 1 1 A 37 37 ILE H H 37 8.107 8.565 -0.458 1 1 375 . 20 1 1 A 37 37 ILE HA H 37 4.017 4.025 -0.008 1 1 385 . 20 1 1 A 37 37 ILE C C 37 176.534 175.815 0.719 1 1 386 . 20 1 1 A 37 37 ILE CA C 37 60.331 61.794 -1.463 1 1 387 . 20 1 1 A 37 37 ILE CB C 37 38.929 37.494 1.435 1 1 391 . 20 1 1 A 37 37 ILE N N 37 120.104 121.514 -1.410 1 1 392 . 20 1 1 A 38 38 ILE H H 38 8.678 8.713 -0.035 1 1 393 . 20 1 1 A 38 38 ILE HA H 38 3.695 3.932 -0.237 1 1 403 . 20 1 1 A 38 38 ILE C C 38 176.027 175.260 0.767 1 1 404 . 20 1 1 A 38 38 ILE CA C 38 61.811 60.942 0.869 1 1 405 . 20 1 1 A 38 38 ILE CB C 38 37.028 36.563 0.465 1 1 409 . 20 1 1 A 38 38 ILE N N 38 127.591 129.216 -1.625 1 1 410 . 20 1 1 A 39 39 LEU H H 39 9.054 8.292 0.762 1 1 411 . 20 1 1 A 39 39 LEU HA H 39 4.188 4.076 0.112 1 1 421 . 20 1 1 A 39 39 LEU C C 39 176.826 176.680 0.146 1 1 422 . 20 1 1 A 39 39 LEU CA C 39 56.416 56.996 -0.580 1 1 423 . 20 1 1 A 39 39 LEU CB C 39 42.664 42.325 0.339 1 1 427 . 20 1 1 A 39 39 LEU N N 39 130.577 129.354 1.223 1 1 428 . 20 1 1 A 40 40 ASP H H 40 7.502 7.660 -0.158 1 1 429 . 20 1 1 A 40 40 ASP HA H 40 4.392 5.139 -0.747 1 1 432 . 20 1 1 A 40 40 ASP C C 40 171.781 173.865 -2.084 1 1 433 . 20 1 1 A 40 40 ASP CA C 40 52.884 52.755 0.129 1 1 434 . 20 1 1 A 40 40 ASP CB C 40 41.985 45.467 -3.482 1 1 435 . 20 1 1 A 40 40 ASP N N 40 112.731 115.873 -3.142 1 1 436 . 20 1 1 A 41 41 TYR H H 41 8.974 9.168 -0.194 1 1 437 . 20 1 1 A 41 41 TYR HA H 41 5.379 5.285 0.094 1 1 444 . 20 1 1 A 41 41 TYR C C 41 175.555 175.014 0.541 1 1 445 . 20 1 1 A 41 41 TYR CA C 41 56.574 56.727 -0.153 1 1 446 . 20 1 1 A 41 41 TYR CB C 41 42.213 40.829 1.384 1 1 449 . 20 1 1 A 41 41 TYR N N 41 111.324 118.010 -6.686 1 1 450 . 20 1 1 A 42 42 GLU H H 42 9.184 9.135 0.049 1 1 451 . 20 1 1 A 42 42 GLU HA H 42 5.066 4.888 0.178 1 1 456 . 20 1 1 A 42 42 GLU C C 42 174.368 175.275 -0.907 1 1 457 . 20 1 1 A 42 42 GLU CA C 42 55.126 56.190 -1.064 1 1 458 . 20 1 1 A 42 42 GLU CB C 42 33.471 31.337 2.134 1 1 460 . 20 1 1 A 42 42 GLU N N 42 120.875 125.137 -4.262 1 1 461 . 20 1 1 A 43 43 ILE H H 43 9.355 8.979 0.376 1 1 462 . 20 1 1 A 43 43 ILE HA H 43 4.853 5.040 -0.187 1 1 472 . 20 1 1 A 43 43 ILE C C 43 174.430 174.312 0.118 1 1 473 . 20 1 1 A 43 43 ILE CA C 43 60.323 60.579 -0.256 1 1 474 . 20 1 1 A 43 43 ILE CB C 43 40.297 40.236 0.061 1 1 478 . 20 1 1 A 43 43 ILE N N 43 126.045 126.924 -0.879 1 1 479 . 20 1 1 A 44 44 ARG H H 44 9.097 9.130 -0.033 1 1 480 . 20 1 1 A 44 44 ARG HA H 44 5.545 5.051 0.494 1 1 487 . 20 1 1 A 44 44 ARG C C 44 175.523 174.987 0.536 1 1 488 . 20 1 1 A 44 44 ARG CA C 44 54.386 54.621 -0.235 1 1 489 . 20 1 1 A 44 44 ARG CB C 44 34.638 31.926 2.712 1 1 492 . 20 1 1 A 44 44 ARG N N 44 127.831 130.079 -2.248 1 1 493 . 20 1 1 A 45 45 TYR H H 45 8.893 8.495 0.398 1 1 494 . 20 1 1 A 45 45 TYR HA H 45 6.272 5.744 0.528 1 1 501 . 20 1 1 A 45 45 TYR C C 45 173.560 173.214 0.346 1 1 502 . 20 1 1 A 45 45 TYR CA C 45 54.767 55.839 -1.072 1 1 503 . 20 1 1 A 45 45 TYR CB C 45 43.168 42.576 0.592 1 1 508 . 20 1 1 A 45 45 TYR N N 45 123.683 121.636 2.047 1 1 509 . 20 1 1 A 46 46 TYR H H 46 8.479 8.402 0.077 1 1 510 . 20 1 1 A 46 46 TYR HA H 46 5.048 5.263 -0.215 1 1 517 . 20 1 1 A 46 46 TYR C C 46 173.870 174.224 -0.354 1 1 518 . 20 1 1 A 46 46 TYR CA C 46 55.485 55.642 -0.157 1 1 519 . 20 1 1 A 46 46 TYR CB C 46 39.975 40.954 -0.979 1 1 524 . 20 1 1 A 46 46 TYR N N 46 114.778 117.737 -2.959 1 1 525 . 20 1 1 A 47 47 GLU H H 47 9.111 8.822 0.289 1 1 526 . 20 1 1 A 47 47 GLU HA H 47 3.819 4.062 -0.243 1 1 531 . 20 1 1 A 47 47 GLU C C 47 177.764 177.609 0.155 1 1 532 . 20 1 1 A 47 47 GLU CA C 47 57.123 56.834 0.289 1 1 533 . 20 1 1 A 47 47 GLU CB C 47 29.773 29.765 0.008 1 1 535 . 20 1 1 A 47 47 GLU N N 47 122.069 120.562 1.507 1 1 536 . 20 1 1 A 48 48 LYS H H 48 8.246 8.383 -0.137 1 1 537 . 20 1 1 A 48 48 LYS HA H 48 3.722 3.971 -0.249 1 1 546 . 20 1 1 A 48 48 LYS C C 48 176.588 177.767 -1.179 1 1 547 . 20 1 1 A 48 48 LYS CA C 48 59.774 58.404 1.370 1 1 548 . 20 1 1 A 48 48 LYS CB C 48 33.032 32.462 0.570 1 1 552 . 20 1 1 A 48 48 LYS N N 48 122.857 124.876 -2.019 1 1 553 . 20 1 1 A 49 49 GLU H H 49 8.192 7.577 0.615 1 1 554 . 20 1 1 A 49 49 GLU HA H 49 4.216 4.576 -0.360 1 1 559 . 20 1 1 A 49 49 GLU C C 49 176.987 176.073 0.914 1 1 560 . 20 1 1 A 49 49 GLU CA C 49 57.447 56.111 1.336 1 1 561 . 20 1 1 A 49 49 GLU CB C 49 28.987 30.429 -1.442 1 1 563 . 20 1 1 A 49 49 GLU N N 49 114.305 117.225 -2.920 1 1 564 . 20 1 1 A 50 50 HIS H H 50 8.329 8.105 0.224 1 1 565 . 20 1 1 A 50 50 HIS HA H 50 4.928 5.005 -0.077 1 1 570 . 20 1 1 A 50 50 HIS C C 50 173.255 174.508 -1.253 1 1 571 . 20 1 1 A 50 50 HIS CA C 50 54.372 55.050 -0.678 1 1 572 . 20 1 1 A 50 50 HIS CB C 50 31.082 34.157 -3.075 1 1 575 . 20 1 1 A 50 50 HIS N N 50 120.021 118.004 2.017 1 1 576 . 20 1 1 A 51 51 ASN H H 51 7.687 8.787 -1.100 1 1 577 . 20 1 1 A 51 51 ASN HA H 51 4.259 4.904 -0.645 1 1 582 . 20 1 1 A 51 51 ASN C C 51 174.779 175.991 -1.212 1 1 583 . 20 1 1 A 51 51 ASN CA C 51 52.561 51.749 0.812 1 1 584 . 20 1 1 A 51 51 ASN CB C 51 39.474 41.506 -2.032 1 1 585 . 20 1 1 A 51 51 ASN N N 51 114.158 117.709 -3.551 1 1 587 . 20 1 1 A 52 52 GLU H H 52 8.551 8.559 -0.008 1 1 588 . 20 1 1 A 52 52 GLU HA H 52 2.797 3.648 -0.851 1 1 593 . 20 1 1 A 52 52 GLU C C 52 177.117 178.489 -1.372 1 1 594 . 20 1 1 A 52 52 GLU CA C 52 58.155 58.510 -0.355 1 1 595 . 20 1 1 A 52 52 GLU CB C 52 28.912 29.003 -0.091 1 1 597 . 20 1 1 A 52 52 GLU N N 52 117.019 121.369 -4.350 1 1 598 . 20 1 1 A 53 53 PHE H H 53 7.855 7.723 0.132 1 1 599 . 20 1 1 A 53 53 PHE HA H 53 4.371 4.243 0.128 1 1 607 . 20 1 1 A 53 53 PHE C C 53 175.783 177.028 -1.245 1 1 608 . 20 1 1 A 53 53 PHE CA C 53 58.785 60.578 -1.793 1 1 609 . 20 1 1 A 53 53 PHE CB C 53 37.747 39.299 -1.552 1 1 615 . 20 1 1 A 53 53 PHE N N 53 119.462 118.228 1.234 1 1 616 . 20 1 1 A 54 54 ASN H H 54 7.744 7.839 -0.095 1 1 617 . 20 1 1 A 54 54 ASN HA H 54 4.948 4.846 0.102 1 1 622 . 20 1 1 A 54 54 ASN C C 54 173.922 173.681 0.241 1 1 623 . 20 1 1 A 54 54 ASN CA C 54 52.102 51.971 0.131 1 1 624 . 20 1 1 A 54 54 ASN CB C 54 38.637 37.009 1.628 1 1 625 . 20 1 1 A 54 54 ASN N N 54 120.451 115.808 4.643 1 1 627 . 20 1 1 A 55 55 SER H H 55 7.469 7.828 -0.359 1 1 628 . 20 1 1 A 55 55 SER HA H 55 4.710 5.368 -0.658 1 1 631 . 20 1 1 A 55 55 SER C C 55 173.922 172.863 1.059 1 1 632 . 20 1 1 A 55 55 SER CA C 55 57.883 57.432 0.451 1 1 633 . 20 1 1 A 55 55 SER CB C 55 66.064 66.703 -0.639 1 1 634 . 20 1 1 A 55 55 SER N N 55 113.429 119.185 -5.756 1 1 635 . 20 1 1 A 56 56 SER H H 56 8.458 8.404 0.054 1 1 636 . 20 1 1 A 56 56 SER HA H 56 4.632 5.002 -0.370 1 1 639 . 20 1 1 A 56 56 SER C C 56 171.119 172.996 -1.877 1 1 640 . 20 1 1 A 56 56 SER CA C 56 57.866 57.403 0.463 1 1 641 . 20 1 1 A 56 56 SER CB C 56 65.164 65.639 -0.475 1 1 642 . 20 1 1 A 56 56 SER N N 56 116.653 118.465 -1.812 1 1 643 . 20 1 1 A 57 57 MET H H 57 8.355 9.072 -0.717 1 1 644 . 20 1 1 A 57 57 MET HA H 57 5.776 5.851 -0.075 1 1 652 . 20 1 1 A 57 57 MET C C 57 175.771 175.269 0.502 1 1 653 . 20 1 1 A 57 57 MET CA C 57 53.913 52.929 0.984 1 1 654 . 20 1 1 A 57 57 MET CB C 57 36.115 35.609 0.506 1 1 657 . 20 1 1 A 57 57 MET N N 57 119.463 122.958 -3.495 1 1 658 . 20 1 1 A 58 58 ALA H H 58 9.547 9.021 0.526 1 1 659 . 20 1 1 A 58 58 ALA HA H 58 4.890 5.296 -0.406 1 1 663 . 20 1 1 A 58 58 ALA C C 58 175.328 175.994 -0.666 1 1 664 . 20 1 1 A 58 58 ALA CA C 58 50.829 50.715 0.114 1 1 665 . 20 1 1 A 58 58 ALA CB C 58 22.649 24.004 -1.355 1 1 666 . 20 1 1 A 58 58 ALA N N 58 127.410 121.652 5.758 1 1 667 . 20 1 1 A 59 59 ARG H H 59 8.776 8.514 0.262 1 1 668 . 20 1 1 A 59 59 ARG HA H 59 5.567 4.969 0.598 1 1 675 . 20 1 1 A 59 59 ARG C C 59 176.336 174.922 1.414 1 1 676 . 20 1 1 A 59 59 ARG CA C 59 54.843 55.733 -0.890 1 1 677 . 20 1 1 A 59 59 ARG CB C 59 33.691 32.268 1.423 1 1 680 . 20 1 1 A 59 59 ARG N N 59 119.945 120.135 -0.190 1 1 681 . 20 1 1 A 60 60 SER H H 60 8.919 8.377 0.542 1 1 682 . 20 1 1 A 60 60 SER HA H 60 5.011 5.173 -0.162 1 1 685 . 20 1 1 A 60 60 SER C C 60 174.614 174.316 0.298 1 1 686 . 20 1 1 A 60 60 SER CA C 60 56.752 56.589 0.163 1 1 687 . 20 1 1 A 60 60 SER CB C 60 66.198 65.376 0.822 1 1 688 . 20 1 1 A 60 60 SER N N 60 115.274 116.788 -1.514 1 1 689 . 20 1 1 A 61 61 GLN H H 61 9.367 8.664 0.703 1 1 690 . 20 1 1 A 61 61 GLN HA H 61 4.556 4.759 -0.203 1 1 697 . 20 1 1 A 61 61 GLN C C 61 175.391 175.366 0.025 1 1 698 . 20 1 1 A 61 61 GLN CA C 61 57.664 56.416 1.248 1 1 699 . 20 1 1 A 61 61 GLN CB C 61 29.763 29.288 0.475 1 1 701 . 20 1 1 A 61 61 GLN N N 61 124.808 125.330 -0.522 1 1 703 . 20 1 1 A 62 62 THR H H 62 8.075 7.564 0.511 1 1 704 . 20 1 1 A 62 62 THR HA H 62 4.918 4.542 0.376 1 1 709 . 20 1 1 A 62 62 THR C C 62 173.106 172.652 0.454 1 1 710 . 20 1 1 A 62 62 THR CA C 62 59.369 60.230 -0.861 1 1 711 . 20 1 1 A 62 62 THR CB C 62 70.607 69.986 0.621 1 1 713 . 20 1 1 A 62 62 THR N N 62 110.260 113.808 -3.548 1 1 714 . 20 1 1 A 63 63 ASN H H 63 8.575 8.325 0.250 1 1 715 . 20 1 1 A 63 63 ASN HA H 63 3.457 3.891 -0.434 1 1 720 . 20 1 1 A 63 63 ASN C C 63 172.343 173.414 -1.071 1 1 721 . 20 1 1 A 63 63 ASN CA C 63 53.270 52.737 0.533 1 1 722 . 20 1 1 A 63 63 ASN CB C 63 34.441 38.403 -3.962 1 1 723 . 20 1 1 A 63 63 ASN N N 63 119.090 120.810 -1.720 1 1 725 . 20 1 1 A 64 64 THR H H 64 6.850 7.161 -0.311 1 1 726 . 20 1 1 A 64 64 THR HA H 64 4.296 4.065 0.231 1 1 731 . 20 1 1 A 64 64 THR C C 64 172.238 171.877 0.361 1 1 732 . 20 1 1 A 64 64 THR CA C 64 60.501 60.794 -0.293 1 1 733 . 20 1 1 A 64 64 THR CB C 64 71.252 71.220 0.032 1 1 735 . 20 1 1 A 64 64 THR N N 64 111.612 113.942 -2.330 1 1 736 . 20 1 1 A 65 65 ALA H H 65 8.619 8.882 -0.263 1 1 737 . 20 1 1 A 65 65 ALA HA H 65 4.595 5.162 -0.567 1 1 741 . 20 1 1 A 65 65 ALA C C 65 174.046 174.990 -0.944 1 1 742 . 20 1 1 A 65 65 ALA CA C 65 52.102 50.862 1.240 1 1 743 . 20 1 1 A 65 65 ALA CB C 65 22.427 23.507 -1.080 1 1 744 . 20 1 1 A 65 65 ALA N N 65 124.370 130.524 -6.154 1 1 745 . 20 1 1 A 66 66 ARG H H 66 8.533 8.775 -0.242 1 1 746 . 20 1 1 A 66 66 ARG HA H 66 4.973 5.196 -0.223 1 1 753 . 20 1 1 A 66 66 ARG C C 66 175.240 174.662 0.578 1 1 754 . 20 1 1 A 66 66 ARG CA C 66 54.560 54.291 0.269 1 1 755 . 20 1 1 A 66 66 ARG CB C 66 32.088 33.526 -1.438 1 1 758 . 20 1 1 A 66 66 ARG N N 66 122.633 122.318 0.315 1 1 759 . 20 1 1 A 67 67 ILE H H 67 8.967 8.651 0.316 1 1 760 . 20 1 1 A 67 67 ILE HA H 67 4.013 4.304 -0.291 1 1 770 . 20 1 1 A 67 67 ILE C C 67 174.026 174.842 -0.816 1 1 771 . 20 1 1 A 67 67 ILE CA C 67 60.377 60.143 0.234 1 1 772 . 20 1 1 A 67 67 ILE CB C 67 38.044 37.577 0.467 1 1 776 . 20 1 1 A 67 67 ILE N N 67 128.560 128.245 0.315 1 1 777 . 20 1 1 A 68 68 ASP H H 68 8.117 8.656 -0.539 1 1 778 . 20 1 1 A 68 68 ASP HA H 68 5.060 5.099 -0.039 1 1 781 . 20 1 1 A 68 68 ASP C C 68 175.792 176.330 -0.538 1 1 782 . 20 1 1 A 68 68 ASP CA C 68 52.474 52.563 -0.089 1 1 783 . 20 1 1 A 68 68 ASP CB C 68 44.116 43.762 0.354 1 1 784 . 20 1 1 A 68 68 ASP N N 68 125.243 125.768 -0.525 1 1 785 . 20 1 1 A 69 69 GLY H H 69 8.568 8.593 -0.025 1 1 786 . 20 1 1 A 69 69 GLY HA2 H 69 3.951 3.957 -0.006 1 1 787 . 20 1 1 A 69 69 GLY HA3 H 69 3.830 3.960 -0.130 1 1 788 . 20 1 1 A 69 69 GLY C C 69 175.359 173.734 1.625 1 1 789 . 20 1 1 A 69 69 GLY CA C 69 46.356 45.806 0.550 1 1 790 . 20 1 1 A 69 69 GLY N N 69 105.736 111.130 -5.394 1 1 791 . 20 1 1 A 70 70 LEU H H 70 7.982 7.665 0.317 1 1 792 . 20 1 1 A 70 70 LEU HA H 70 4.356 4.835 -0.479 1 1 802 . 20 1 1 A 70 70 LEU C C 70 175.151 175.188 -0.037 1 1 803 . 20 1 1 A 70 70 LEU CA C 70 53.110 53.080 0.030 1 1 804 . 20 1 1 A 70 70 LEU CB C 70 40.992 45.259 -4.267 1 1 808 . 20 1 1 A 70 70 LEU N N 70 118.817 119.656 -0.839 1 1 809 . 20 1 1 A 71 71 ARG H H 71 8.148 8.600 -0.452 1 1 810 . 20 1 1 A 71 71 ARG HA H 71 4.922 4.797 0.125 1 1 817 . 20 1 1 A 71 71 ARG C C 71 174.419 173.689 0.730 1 1 818 . 20 1 1 A 71 71 ARG CA C 71 53.534 52.691 0.843 1 1 819 . 20 1 1 A 71 71 ARG CB C 71 32.001 31.706 0.295 1 1 822 . 20 1 1 A 71 71 ARG N N 71 118.182 119.825 -1.643 1 1 823 . 20 1 1 A 72 72 PRO HA H 72 5.168 4.657 0.511 1 1 830 . 20 1 1 A 72 72 PRO C C 72 178.121 177.578 0.543 1 1 831 . 20 1 1 A 72 72 PRO CA C 72 63.416 63.750 -0.334 1 1 832 . 20 1 1 A 72 72 PRO CB C 72 32.908 31.293 1.615 1 1 835 . 20 1 1 A 73 73 GLY H H 73 7.705 8.599 -0.894 1 1 836 . 20 1 1 A 73 73 GLY HA2 H 73 3.856 3.976 -0.120 1 1 837 . 20 1 1 A 73 73 GLY HA3 H 73 3.508 3.980 -0.472 1 1 838 . 20 1 1 A 73 73 GLY C C 73 173.685 173.820 -0.135 1 1 839 . 20 1 1 A 73 73 GLY CA C 73 46.731 46.287 0.444 1 1 840 . 20 1 1 A 73 73 GLY N N 73 112.669 112.350 0.319 1 1 841 . 20 1 1 A 74 74 MET H H 74 7.511 7.320 0.191 1 1 842 . 20 1 1 A 74 74 MET HA H 74 4.742 4.918 -0.176 1 1 850 . 20 1 1 A 74 74 MET C C 74 173.525 174.529 -1.004 1 1 851 . 20 1 1 A 74 74 MET CA C 74 53.216 54.360 -1.144 1 1 852 . 20 1 1 A 74 74 MET CB C 74 33.610 37.015 -3.405 1 1 855 . 20 1 1 A 74 74 MET N N 74 119.820 118.416 1.404 1 1 856 . 20 1 1 A 75 75 VAL H H 75 7.651 8.532 -0.881 1 1 857 . 20 1 1 A 75 75 VAL HA H 75 4.361 4.654 -0.293 1 1 865 . 20 1 1 A 75 75 VAL C C 75 174.677 174.537 0.140 1 1 866 . 20 1 1 A 75 75 VAL CA C 75 61.581 61.180 0.401 1 1 867 . 20 1 1 A 75 75 VAL CB C 75 32.345 32.719 -0.374 1 1 870 . 20 1 1 A 75 75 VAL N N 75 121.287 122.301 -1.014 1 1 871 . 20 1 1 A 76 76 TYR H H 76 9.405 9.205 0.200 1 1 872 . 20 1 1 A 76 76 TYR HA H 76 4.743 4.949 -0.206 1 1 879 . 20 1 1 A 76 76 TYR C C 76 174.740 174.659 0.081 1 1 880 . 20 1 1 A 76 76 TYR CA C 76 57.424 56.082 1.342 1 1 881 . 20 1 1 A 76 76 TYR CB C 76 41.151 42.133 -0.982 1 1 886 . 20 1 1 A 76 76 TYR N N 76 126.231 126.102 0.129 1 1 887 . 20 1 1 A 77 77 VAL H H 77 8.867 8.555 0.312 1 1 888 . 20 1 1 A 77 77 VAL HA H 77 4.318 4.637 -0.319 1 1 896 . 20 1 1 A 77 77 VAL C C 77 175.773 174.974 0.799 1 1 897 . 20 1 1 A 77 77 VAL CA C 77 61.473 62.012 -0.539 1 1 898 . 20 1 1 A 77 77 VAL CB C 77 31.218 31.295 -0.077 1 1 901 . 20 1 1 A 77 77 VAL N N 77 123.699 123.753 -0.054 1 1 902 . 20 1 1 A 78 78 VAL H H 78 8.683 9.097 -0.414 1 1 903 . 20 1 1 A 78 78 VAL HA H 78 4.995 4.930 0.065 1 1 911 . 20 1 1 A 78 78 VAL C C 78 175.275 175.182 0.093 1 1 912 . 20 1 1 A 78 78 VAL CA C 78 60.942 61.293 -0.351 1 1 913 . 20 1 1 A 78 78 VAL CB C 78 34.790 33.319 1.471 1 1 916 . 20 1 1 A 78 78 VAL N N 78 124.155 128.974 -4.819 1 1 917 . 20 1 1 A 79 79 GLN H H 79 8.613 8.831 -0.218 1 1 918 . 20 1 1 A 79 79 GLN HA H 79 4.511 4.945 -0.434 1 1 925 . 20 1 1 A 79 79 GLN C C 79 173.361 173.955 -0.594 1 1 926 . 20 1 1 A 79 79 GLN CA C 79 54.666 54.115 0.551 1 1 927 . 20 1 1 A 79 79 GLN CB C 79 36.751 32.831 3.920 1 1 929 . 20 1 1 A 79 79 GLN N N 79 121.693 124.395 -2.702 1 1 931 . 20 1 1 A 80 80 VAL H H 80 9.019 8.493 0.526 1 1 932 . 20 1 1 A 80 80 VAL HA H 80 5.801 4.986 0.815 1 1 940 . 20 1 1 A 80 80 VAL C C 80 174.526 174.557 -0.031 1 1 941 . 20 1 1 A 80 80 VAL CA C 80 58.750 59.474 -0.724 1 1 942 . 20 1 1 A 80 80 VAL CB C 80 35.479 34.491 0.988 1 1 945 . 20 1 1 A 80 80 VAL N N 80 118.559 122.140 -3.581 1 1 946 . 20 1 1 A 81 81 ARG H H 81 9.199 8.829 0.370 1 1 947 . 20 1 1 A 81 81 ARG HA H 81 4.951 5.051 -0.100 1 1 955 . 20 1 1 A 81 81 ARG C C 81 172.660 174.038 -1.378 1 1 956 . 20 1 1 A 81 81 ARG CA C 81 54.295 53.802 0.493 1 1 957 . 20 1 1 A 81 81 ARG CB C 81 33.750 33.807 -0.057 1 1 960 . 20 1 1 A 81 81 ARG N N 81 125.225 125.416 -0.191 1 1 962 . 20 1 1 A 82 82 ALA H H 82 8.762 8.824 -0.062 1 1 963 . 20 1 1 A 82 82 ALA HA H 82 4.820 5.182 -0.362 1 1 967 . 20 1 1 A 82 82 ALA C C 82 174.783 175.265 -0.482 1 1 968 . 20 1 1 A 82 82 ALA CA C 82 50.741 50.171 0.570 1 1 969 . 20 1 1 A 82 82 ALA CB C 82 22.383 21.254 1.129 1 1 970 . 20 1 1 A 82 82 ALA N N 82 124.292 122.839 1.453 1 1 971 . 20 1 1 A 83 83 ARG H H 83 8.336 8.323 0.013 1 1 972 . 20 1 1 A 83 83 ARG HA H 83 4.737 4.835 -0.098 1 1 980 . 20 1 1 A 83 83 ARG C C 83 175.290 174.916 0.374 1 1 981 . 20 1 1 A 83 83 ARG CA C 83 55.727 54.233 1.494 1 1 982 . 20 1 1 A 83 83 ARG CB C 83 34.562 32.461 2.101 1 1 985 . 20 1 1 A 83 83 ARG N N 83 121.023 123.833 -2.810 1 1 987 . 20 1 1 A 84 84 THR H H 84 8.485 8.885 -0.400 1 1 988 . 20 1 1 A 84 84 THR HA H 84 4.875 4.894 -0.019 1 1 993 . 20 1 1 A 84 84 THR C C 84 176.218 175.306 0.912 1 1 994 . 20 1 1 A 84 84 THR CA C 84 59.475 59.194 0.281 1 1 995 . 20 1 1 A 84 84 THR CB C 84 72.440 72.334 0.106 1 1 997 . 20 1 1 A 84 84 THR N N 84 116.374 117.077 -0.703 1 1 998 . 20 1 1 A 85 85 VAL H H 85 9.283 8.814 0.469 1 1 999 . 20 1 1 A 85 85 VAL HA H 85 3.794 3.814 -0.020 1 1 1007 . 20 1 1 A 85 85 VAL C C 85 175.930 177.514 -1.584 1 1 1008 . 20 1 1 A 85 85 VAL CA C 85 64.934 64.956 -0.022 1 1 1009 . 20 1 1 A 85 85 VAL CB C 85 31.621 31.698 -0.077 1 1 1012 . 20 1 1 A 85 85 VAL N N 85 119.099 122.330 -3.231 1 1 1013 . 20 1 1 A 86 86 ALA H H 86 7.840 7.827 0.013 1 1 1014 . 20 1 1 A 86 86 ALA HA H 86 4.242 4.063 0.179 1 1 1018 . 20 1 1 A 86 86 ALA C C 86 177.467 177.560 -0.093 1 1 1019 . 20 1 1 A 86 86 ALA CA C 86 52.774 54.765 -1.991 1 1 1020 . 20 1 1 A 86 86 ALA CB C 86 19.733 20.091 -0.358 1 1 1021 . 20 1 1 A 86 86 ALA N N 86 121.263 123.531 -2.268 1 1 1022 . 20 1 1 A 87 87 GLY H H 87 7.365 6.797 0.568 1 1 1023 . 20 1 1 A 87 87 GLY HA2 H 87 4.402 4.091 0.311 1 1 1024 . 20 1 1 A 87 87 GLY HA3 H 87 3.588 4.091 -0.503 1 1 1025 . 20 1 1 A 87 87 GLY C C 87 171.960 171.035 0.925 1 1 1026 . 20 1 1 A 87 87 GLY CA C 87 44.170 46.237 -2.067 1 1 1027 . 20 1 1 A 87 87 GLY N N 87 105.736 102.018 3.718 1 1 1028 . 20 1 1 A 88 88 TYR H H 88 8.444 8.575 -0.131 1 1 1029 . 20 1 1 A 88 88 TYR HA H 88 5.063 5.191 -0.128 1 1 1036 . 20 1 1 A 88 88 TYR C C 88 179.239 175.437 3.802 1 1 1037 . 20 1 1 A 88 88 TYR CA C 88 58.308 55.571 2.737 1 1 1038 . 20 1 1 A 88 88 TYR CB C 88 41.442 41.073 0.369 1 1 1043 . 20 1 1 A 88 88 TYR N N 88 116.996 120.321 -3.325 1 1 1044 . 20 1 1 A 89 89 GLY H H 89 8.676 8.552 0.124 1 1 1045 . 20 1 1 A 89 89 GLY HA2 H 89 4.324 4.102 0.222 1 1 1046 . 20 1 1 A 89 89 GLY HA3 H 89 3.973 4.120 -0.147 1 1 1047 . 20 1 1 A 89 89 GLY C C 89 173.844 172.921 0.923 1 1 1048 . 20 1 1 A 89 89 GLY CA C 89 43.916 44.306 -0.390 1 1 1049 . 20 1 1 A 89 89 GLY N N 89 107.850 110.787 -2.937 1 1 1050 . 20 1 1 A 90 90 LYS H H 90 8.711 8.326 0.385 1 1 1051 . 20 1 1 A 90 90 LYS HA H 90 4.166 4.229 -0.063 1 1 1060 . 20 1 1 A 90 90 LYS C C 90 177.819 176.359 1.460 1 1 1061 . 20 1 1 A 90 90 LYS CA C 90 56.162 56.145 0.017 1 1 1062 . 20 1 1 A 90 90 LYS CB C 90 32.730 33.328 -0.598 1 1 1066 . 20 1 1 A 90 90 LYS N N 90 119.382 119.919 -0.537 1 1 1067 . 20 1 1 A 91 91 PHE H H 91 8.698 8.847 -0.149 1 1 1068 . 20 1 1 A 91 91 PHE HA H 91 4.241 4.954 -0.713 1 1 1076 . 20 1 1 A 91 91 PHE C C 91 176.805 176.023 0.782 1 1 1077 . 20 1 1 A 91 91 PHE CA C 91 61.027 57.849 3.178 1 1 1078 . 20 1 1 A 91 91 PHE CB C 91 39.995 40.240 -0.245 1 1 1084 . 20 1 1 A 91 91 PHE N N 91 120.691 120.174 0.517 1 1 1085 . 20 1 1 A 92 92 SER H H 92 8.311 8.982 -0.671 1 1 1086 . 20 1 1 A 92 92 SER HA H 92 4.259 4.659 -0.400 1 1 1089 . 20 1 1 A 92 92 SER C C 92 173.499 174.832 -1.333 1 1 1090 . 20 1 1 A 92 92 SER CA C 92 58.146 57.877 0.269 1 1 1091 . 20 1 1 A 92 92 SER CB C 92 65.329 65.098 0.231 1 1 1092 . 20 1 1 A 92 92 SER N N 92 115.098 117.268 -2.170 1 1 1093 . 20 1 1 A 93 93 GLY H H 93 8.869 8.482 0.387 1 1 1094 . 20 1 1 A 93 93 GLY HA2 H 93 4.071 4.036 0.035 1 1 1095 . 20 1 1 A 93 93 GLY HA3 H 93 3.780 4.044 -0.264 1 1 1096 . 20 1 1 A 93 93 GLY C C 93 174.375 173.303 1.072 1 1 1097 . 20 1 1 A 93 93 GLY CA C 93 45.331 45.607 -0.276 1 1 1098 . 20 1 1 A 93 93 GLY N N 93 106.252 108.180 -1.928 1 1 1099 . 20 1 1 A 94 94 LYS H H 94 8.619 8.561 0.058 1 1 1100 . 20 1 1 A 94 94 LYS HA H 94 3.633 4.553 -0.920 1 1 1109 . 20 1 1 A 94 94 LYS C C 94 176.004 175.155 0.849 1 1 1110 . 20 1 1 A 94 94 LYS CA C 94 59.068 55.734 3.334 1 1 1111 . 20 1 1 A 94 94 LYS CB C 94 33.072 33.338 -0.266 1 1 1115 . 20 1 1 A 94 94 LYS N N 94 122.645 123.122 -0.477 1 1 1116 . 20 1 1 A 95 95 MET H H 95 7.547 8.912 -1.365 1 1 1117 . 20 1 1 A 95 95 MET HA H 95 4.520 5.047 -0.527 1 1 1125 . 20 1 1 A 95 95 MET C C 95 173.400 173.969 -0.569 1 1 1126 . 20 1 1 A 95 95 MET CA C 95 54.701 53.635 1.066 1 1 1127 . 20 1 1 A 95 95 MET CB C 95 37.784 35.377 2.407 1 1 1130 . 20 1 1 A 95 95 MET N N 95 122.392 126.147 -3.755 1 1 1131 . 20 1 1 A 96 96 CYS H H 96 7.888 8.606 -0.718 1 1 1132 . 20 1 1 A 96 96 CYS HA H 96 5.465 5.072 0.393 1 1 1135 . 20 1 1 A 96 96 CYS C C 96 173.757 172.798 0.959 1 1 1136 . 20 1 1 A 96 96 CYS CA C 96 57.353 57.122 0.231 1 1 1137 . 20 1 1 A 96 96 CYS CB C 96 29.941 29.261 0.680 1 1 1138 . 20 1 1 A 96 96 CYS N N 96 117.124 121.272 -4.148 1 1 1139 . 20 1 1 A 97 97 PHE H H 97 9.133 9.123 0.010 1 1 1140 . 20 1 1 A 97 97 PHE HA H 97 4.879 5.172 -0.293 1 1 1148 . 20 1 1 A 97 97 PHE C C 97 173.309 175.343 -2.034 1 1 1149 . 20 1 1 A 97 97 PHE CA C 97 56.983 56.375 0.608 1 1 1150 . 20 1 1 A 97 97 PHE CB C 97 44.074 41.504 2.570 1 1 1156 . 20 1 1 A 97 97 PHE N N 97 121.239 124.140 -2.901 1 1 1157 . 20 1 1 A 98 98 GLN H H 98 8.884 9.009 -0.125 1 1 1158 . 20 1 1 A 98 98 GLN HA H 98 5.809 5.499 0.310 1 1 1165 . 20 1 1 A 98 98 GLN C C 98 176.454 175.846 0.608 1 1 1166 . 20 1 1 A 98 98 GLN CA C 98 54.125 54.646 -0.521 1 1 1167 . 20 1 1 A 98 98 GLN CB C 98 33.444 30.922 2.522 1 1 1169 . 20 1 1 A 98 98 GLN N N 98 120.699 121.175 -0.476 1 1 1171 . 20 1 1 A 99 99 THR H H 99 8.176 8.253 -0.077 1 1 1172 . 20 1 1 A 99 99 THR HA H 99 4.324 4.682 -0.358 1 1 1177 . 20 1 1 A 99 99 THR C C 99 175.929 174.524 1.405 1 1 1178 . 20 1 1 A 99 99 THR CA C 99 60.341 60.371 -0.030 1 1 1179 . 20 1 1 A 99 99 THR CB C 99 70.070 71.555 -1.485 1 1 1181 . 20 1 1 A 99 99 THR N N 99 112.214 112.639 -0.425 1 1 1182 . 20 1 1 A 100 100 LEU H H 100 7.368 8.156 -0.788 1 1 1183 . 20 1 1 A 100 100 LEU HA H 100 4.310 4.381 -0.071 1 1 1193 . 20 1 1 A 100 100 LEU C C 100 177.359 178.746 -1.387 1 1 1194 . 20 1 1 A 100 100 LEU CA C 100 54.790 55.511 -0.721 1 1 1195 . 20 1 1 A 100 100 LEU CB C 100 42.096 41.624 0.472 1 1 1199 . 20 1 1 A 100 100 LEU N N 100 117.018 121.897 -4.879 1 1 1200 . 20 1 1 A 101 101 THR H H 101 7.997 8.520 -0.523 1 1 1201 . 20 1 1 A 101 101 THR HA H 101 4.123 4.283 -0.160 1 1 1206 . 20 1 1 A 101 101 THR C C 101 174.014 174.568 -0.554 1 1 1207 . 20 1 1 A 101 101 THR CA C 101 61.968 63.435 -1.467 1 1 1208 . 20 1 1 A 101 101 THR CB C 101 70.172 69.875 0.297 1 1 1210 . 20 1 1 A 101 101 THR N N 101 110.428 116.869 -6.441 1 1 1211 . 20 1 1 A 102 102 ASP H H 102 8.320 8.206 0.114 1 1 1212 . 20 1 1 A 102 102 ASP HA H 102 4.853 4.315 0.538 1 1 1215 . 20 1 1 A 102 102 ASP C C 102 176.204 176.305 -0.101 1 1 1216 . 20 1 1 A 102 102 ASP CA C 102 53.694 54.904 -1.210 1 1 1217 . 20 1 1 A 102 102 ASP CB C 102 41.808 39.427 2.381 1 1 1218 . 20 1 1 A 102 102 ASP N N 102 120.693 121.631 -0.938 1 1 1219 . 20 1 1 A 103 103 SER H H 103 8.294 8.351 -0.057 1 1 1220 . 20 1 1 A 103 103 SER HA H 103 4.486 4.712 -0.226 1 1 1223 . 20 1 1 A 103 103 SER C C 103 174.875 174.359 0.516 1 1 1224 . 20 1 1 A 103 103 SER CA C 103 58.361 58.942 -0.581 1 1 1225 . 20 1 1 A 103 103 SER CB C 103 63.942 65.490 -1.548 1 1 1226 . 20 1 1 A 103 103 SER N N 103 117.442 112.371 5.071 1 1 1227 . 20 1 1 A 104 104 GLY H H 104 8.393 7.278 1.115 1 1 1228 . 20 1 1 A 104 104 GLY HA2 H 104 4.104 4.060 0.044 1 1 1229 . 20 1 1 A 104 104 GLY HA3 H 104 4.104 4.060 0.044 1 1 1230 . 20 1 1 A 104 104 GLY C C 104 172.016 171.633 0.383 1 1 1231 . 20 1 1 A 104 104 GLY CA C 104 44.800 44.838 -0.038 1 1 1232 . 20 1 1 A 104 104 GLY N N 104 111.065 105.047 6.018 1 1 1233 . 20 1 1 A 105 105 PRO HA H 105 4.475 4.738 -0.263 1 1 1240 . 20 1 1 A 105 105 PRO C C 105 177.464 176.639 0.825 1 1 1241 . 20 1 1 A 105 105 PRO CA C 105 63.329 62.888 0.441 1 1 1242 . 20 1 1 A 105 105 PRO CB C 105 32.249 31.765 0.484 1 1 1245 . 20 1 1 A 106 106 SER H H 106 8.514 8.529 -0.015 1 1 1246 . 20 1 1 A 106 106 SER HA H 106 4.512 4.688 -0.176 1 1 1249 . 20 1 1 A 106 106 SER C C 106 174.735 173.118 1.617 1 1 1250 . 20 1 1 A 106 106 SER CA C 106 58.361 58.039 0.322 1 1 1251 . 20 1 1 A 106 106 SER CB C 106 63.820 64.301 -0.481 1 1 1252 . 20 1 1 A 106 106 SER N N 106 116.429 117.907 -1.478 1 1 1253 . 20 1 1 A 107 107 SER H H 107 8.329 8.990 -0.661 1 1 1254 . 20 1 1 A 107 107 SER HA H 107 4.512 5.490 -0.978 1 1 1257 . 20 1 1 A 107 107 SER C C 107 174.004 172.930 1.074 1 1 1258 . 20 1 1 A 107 107 SER CA C 107 58.414 56.587 1.827 1 1 1259 . 20 1 1 A 107 107 SER CB C 107 64.014 66.719 -2.705 1 1 1260 . 20 1 1 A 107 107 SER N N 107 117.919 119.218 -1.299 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 100 1.064 1 2 1 1 1 "RMS(OBS, PRED)" CA 102 1.006 1 3 1 1 1 "RMS(OBS, PRED)" CB 94 1.409 1 4 1 1 1 "RMS(OBS, PRED)" H 94 0.484 1 5 1 1 1 "RMS(OBS, PRED)" HA 110 0.343 1 6 1 1 1 "RMS(OBS, PRED)" N 94 3.121 1 7 1 2 1 "RMS(OBS, PRED)" C 100 1.039 1 8 1 2 1 "RMS(OBS, PRED)" CA 102 1.012 1 9 1 2 1 "RMS(OBS, PRED)" CB 94 1.481 1 10 1 2 1 "RMS(OBS, PRED)" H 94 0.491 1 11 1 2 1 "RMS(OBS, PRED)" HA 110 0.360 1 12 1 2 1 "RMS(OBS, PRED)" N 94 3.249 1 13 1 3 1 "RMS(OBS, PRED)" C 100 1.110 1 14 1 3 1 "RMS(OBS, PRED)" CA 102 1.032 1 15 1 3 1 "RMS(OBS, PRED)" CB 94 1.483 1 16 1 3 1 "RMS(OBS, PRED)" H 94 0.477 1 17 1 3 1 "RMS(OBS, PRED)" HA 110 0.366 1 18 1 3 1 "RMS(OBS, PRED)" N 94 3.216 1 19 1 4 1 "RMS(OBS, PRED)" C 100 1.043 1 20 1 4 1 "RMS(OBS, PRED)" CA 102 1.069 1 21 1 4 1 "RMS(OBS, PRED)" CB 94 1.558 1 22 1 4 1 "RMS(OBS, PRED)" H 94 0.470 1 23 1 4 1 "RMS(OBS, PRED)" HA 110 0.350 1 24 1 4 1 "RMS(OBS, PRED)" N 94 3.242 1 25 1 5 1 "RMS(OBS, PRED)" C 100 0.977 1 26 1 5 1 "RMS(OBS, PRED)" CA 102 1.074 1 27 1 5 1 "RMS(OBS, PRED)" CB 94 1.405 1 28 1 5 1 "RMS(OBS, PRED)" H 94 0.492 1 29 1 5 1 "RMS(OBS, PRED)" HA 110 0.346 1 30 1 5 1 "RMS(OBS, PRED)" N 94 3.054 1 31 1 6 1 "RMS(OBS, PRED)" C 100 1.027 1 32 1 6 1 "RMS(OBS, PRED)" CA 102 1.116 1 33 1 6 1 "RMS(OBS, PRED)" CB 94 1.382 1 34 1 6 1 "RMS(OBS, PRED)" H 94 0.475 1 35 1 6 1 "RMS(OBS, PRED)" HA 110 0.363 1 36 1 6 1 "RMS(OBS, PRED)" N 94 3.235 1 37 1 7 1 "RMS(OBS, PRED)" C 100 1.061 1 38 1 7 1 "RMS(OBS, PRED)" CA 102 1.058 1 39 1 7 1 "RMS(OBS, PRED)" CB 94 1.479 1 40 1 7 1 "RMS(OBS, PRED)" H 94 0.495 1 41 1 7 1 "RMS(OBS, PRED)" HA 110 0.369 1 42 1 7 1 "RMS(OBS, PRED)" N 94 3.286 1 43 1 8 1 "RMS(OBS, PRED)" C 100 1.015 1 44 1 8 1 "RMS(OBS, PRED)" CA 102 1.132 1 45 1 8 1 "RMS(OBS, PRED)" CB 94 1.289 1 46 1 8 1 "RMS(OBS, PRED)" H 94 0.449 1 47 1 8 1 "RMS(OBS, PRED)" HA 110 0.343 1 48 1 8 1 "RMS(OBS, PRED)" N 94 2.987 1 49 1 9 1 "RMS(OBS, PRED)" C 100 1.052 1 50 1 9 1 "RMS(OBS, PRED)" CA 102 1.070 1 51 1 9 1 "RMS(OBS, PRED)" CB 94 1.504 1 52 1 9 1 "RMS(OBS, PRED)" H 94 0.504 1 53 1 9 1 "RMS(OBS, PRED)" HA 110 0.382 1 54 1 9 1 "RMS(OBS, PRED)" N 94 3.127 1 55 1 10 1 "RMS(OBS, PRED)" C 100 1.053 1 56 1 10 1 "RMS(OBS, PRED)" CA 102 1.130 1 57 1 10 1 "RMS(OBS, PRED)" CB 94 1.394 1 58 1 10 1 "RMS(OBS, PRED)" H 94 0.513 1 59 1 10 1 "RMS(OBS, PRED)" HA 110 0.337 1 60 1 10 1 "RMS(OBS, PRED)" N 94 3.125 1 61 1 11 1 "RMS(OBS, PRED)" C 100 1.036 1 62 1 11 1 "RMS(OBS, PRED)" CA 102 1.066 1 63 1 11 1 "RMS(OBS, PRED)" CB 94 1.495 1 64 1 11 1 "RMS(OBS, PRED)" H 94 0.469 1 65 1 11 1 "RMS(OBS, PRED)" HA 110 0.358 1 66 1 11 1 "RMS(OBS, PRED)" N 94 3.163 1 67 1 12 1 "RMS(OBS, PRED)" C 100 1.065 1 68 1 12 1 "RMS(OBS, PRED)" CA 102 1.026 1 69 1 12 1 "RMS(OBS, PRED)" CB 94 1.380 1 70 1 12 1 "RMS(OBS, PRED)" H 94 0.480 1 71 1 12 1 "RMS(OBS, PRED)" HA 110 0.351 1 72 1 12 1 "RMS(OBS, PRED)" N 94 3.039 1 73 1 13 1 "RMS(OBS, PRED)" C 100 1.057 1 74 1 13 1 "RMS(OBS, PRED)" CA 102 1.122 1 75 1 13 1 "RMS(OBS, PRED)" CB 94 1.423 1 76 1 13 1 "RMS(OBS, PRED)" H 94 0.492 1 77 1 13 1 "RMS(OBS, PRED)" HA 110 0.372 1 78 1 13 1 "RMS(OBS, PRED)" N 94 3.140 1 79 1 14 1 "RMS(OBS, PRED)" C 100 1.093 1 80 1 14 1 "RMS(OBS, PRED)" CA 102 1.015 1 81 1 14 1 "RMS(OBS, PRED)" CB 94 1.375 1 82 1 14 1 "RMS(OBS, PRED)" H 94 0.494 1 83 1 14 1 "RMS(OBS, PRED)" HA 110 0.358 1 84 1 14 1 "RMS(OBS, PRED)" N 94 3.137 1 85 1 15 1 "RMS(OBS, PRED)" C 100 1.072 1 86 1 15 1 "RMS(OBS, PRED)" CA 102 1.038 1 87 1 15 1 "RMS(OBS, PRED)" CB 94 1.390 1 88 1 15 1 "RMS(OBS, PRED)" H 94 0.460 1 89 1 15 1 "RMS(OBS, PRED)" HA 110 0.329 1 90 1 15 1 "RMS(OBS, PRED)" N 94 3.077 1 91 1 16 1 "RMS(OBS, PRED)" C 100 1.014 1 92 1 16 1 "RMS(OBS, PRED)" CA 102 1.052 1 93 1 16 1 "RMS(OBS, PRED)" CB 94 1.404 1 94 1 16 1 "RMS(OBS, PRED)" H 94 0.471 1 95 1 16 1 "RMS(OBS, PRED)" HA 110 0.360 1 96 1 16 1 "RMS(OBS, PRED)" N 94 3.027 1 97 1 17 1 "RMS(OBS, PRED)" C 100 1.012 1 98 1 17 1 "RMS(OBS, PRED)" CA 102 1.098 1 99 1 17 1 "RMS(OBS, PRED)" CB 94 1.420 1 100 1 17 1 "RMS(OBS, PRED)" H 94 0.451 1 101 1 17 1 "RMS(OBS, PRED)" HA 110 0.366 1 102 1 17 1 "RMS(OBS, PRED)" N 94 3.178 1 103 1 18 1 "RMS(OBS, PRED)" C 100 1.051 1 104 1 18 1 "RMS(OBS, PRED)" CA 102 1.112 1 105 1 18 1 "RMS(OBS, PRED)" CB 94 1.410 1 106 1 18 1 "RMS(OBS, PRED)" H 94 0.474 1 107 1 18 1 "RMS(OBS, PRED)" HA 110 0.350 1 108 1 18 1 "RMS(OBS, PRED)" N 94 3.201 1 109 1 19 1 "RMS(OBS, PRED)" C 100 1.079 1 110 1 19 1 "RMS(OBS, PRED)" CA 102 1.191 1 111 1 19 1 "RMS(OBS, PRED)" CB 94 1.412 1 112 1 19 1 "RMS(OBS, PRED)" H 94 0.532 1 113 1 19 1 "RMS(OBS, PRED)" HA 110 0.352 1 114 1 19 1 "RMS(OBS, PRED)" N 94 3.277 1 115 1 20 1 "RMS(OBS, PRED)" C 100 1.018 1 116 1 20 1 "RMS(OBS, PRED)" CA 102 1.022 1 117 1 20 1 "RMS(OBS, PRED)" CB 94 1.478 1 118 1 20 1 "RMS(OBS, PRED)" H 94 0.491 1 119 1 20 1 "RMS(OBS, PRED)" HA 110 0.361 1 120 1 20 1 "RMS(OBS, PRED)" N 94 3.209 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 6 6 SER HA H 6 4.523 4.712 -0.189 2 1 3 . 1 1 A 6 6 SER CA C 6 58.535 58.137 0.398 2 1 4 . 1 1 A 6 6 SER CB C 6 64.106 64.180 -0.074 2 1 5 . 1 1 A 7 7 GLY H H 7 8.202 8.456 -0.254 2 1 6 . 1 1 A 7 7 GLY HA2 H 7 3.881 4.137 -0.256 2 1 7 . 1 1 A 7 7 GLY HA3 H 7 3.740 4.140 -0.400 2 1 8 . 1 1 A 7 7 GLY CA C 7 44.322 44.435 -0.113 2 1 9 . 1 1 A 7 7 GLY N N 7 109.573 111.724 -2.151 2 1 10 . 1 1 A 8 8 PRO HA H 8 4.641 4.528 0.113 2 1 17 . 1 1 A 8 8 PRO C C 8 176.480 176.686 -0.206 2 1 18 . 1 1 A 8 8 PRO CA C 8 62.582 62.622 -0.040 2 1 19 . 1 1 A 8 8 PRO CB C 8 32.331 32.188 0.143 2 1 22 . 1 1 A 9 9 SER H H 9 8.061 8.479 -0.418 2 1 23 . 1 1 A 9 9 SER HA H 9 4.374 4.494 -0.120 2 1 26 . 1 1 A 9 9 SER C C 9 173.090 173.574 -0.484 2 1 27 . 1 1 A 9 9 SER CA C 9 58.754 58.497 0.257 2 1 28 . 1 1 A 9 9 SER CB C 9 63.667 64.159 -0.492 2 1 29 . 1 1 A 9 9 SER N N 9 115.137 116.866 -1.729 2 1 30 . 1 1 A 10 10 THR H H 10 8.359 8.519 -0.160 2 1 31 . 1 1 A 10 10 THR HA H 10 4.027 4.940 -0.913 2 1 36 . 1 1 A 10 10 THR C C 10 175.380 173.271 2.109 2 1 37 . 1 1 A 10 10 THR CA C 10 62.781 60.157 2.624 2 1 38 . 1 1 A 10 10 THR CB C 10 69.617 71.921 -2.304 2 1 40 . 1 1 A 10 10 THR N N 10 115.079 117.410 -2.331 2 1 41 . 1 1 A 11 11 VAL H H 11 9.280 8.654 0.626 2 1 42 . 1 1 A 11 11 VAL HA H 11 4.097 4.166 -0.069 2 1 50 . 1 1 A 11 11 VAL C C 11 175.706 176.337 -0.631 2 1 51 . 1 1 A 11 11 VAL CA C 11 61.518 61.220 0.298 2 1 52 . 1 1 A 11 11 VAL CB C 11 33.174 32.087 1.087 2 1 55 . 1 1 A 11 11 VAL N N 11 131.182 126.437 4.745 2 1 56 . 1 1 A 12 12 PRO HA H 12 4.415 4.483 -0.068 2 1 63 . 1 1 A 12 12 PRO C C 12 175.612 176.361 -0.749 2 1 64 . 1 1 A 12 12 PRO CA C 12 64.850 64.824 0.026 2 1 65 . 1 1 A 12 12 PRO CB C 12 32.578 32.240 0.338 2 1 68 . 1 1 A 13 13 ILE H H 13 7.251 7.551 -0.300 2 1 69 . 1 1 A 13 13 ILE HA H 13 4.439 4.615 -0.176 2 1 79 . 1 1 A 13 13 ILE C C 13 170.969 173.297 -2.328 2 1 80 . 1 1 A 13 13 ILE CA C 13 59.973 59.325 0.648 2 1 81 . 1 1 A 13 13 ILE CB C 13 40.776 41.551 -0.775 2 1 85 . 1 1 A 13 13 ILE N N 13 115.827 116.030 -0.203 2 1 86 . 1 1 A 14 14 MET H H 14 6.827 8.694 -1.867 2 1 87 . 1 1 A 14 14 MET HA H 14 4.961 5.417 -0.456 2 1 95 . 1 1 A 14 14 MET C C 14 173.380 174.898 -1.518 2 1 96 . 1 1 A 14 14 MET CA C 14 55.214 54.011 1.203 2 1 97 . 1 1 A 14 14 MET CB C 14 38.223 35.602 2.621 2 1 100 . 1 1 A 14 14 MET N N 14 116.754 125.534 -8.780 2 1 101 . 1 1 A 15 15 HIS H H 15 9.417 9.202 0.215 2 1 102 . 1 1 A 15 15 HIS HA H 15 4.958 5.177 -0.219 2 1 107 . 1 1 A 15 15 HIS C C 15 173.901 173.879 0.022 2 1 108 . 1 1 A 15 15 HIS CA C 15 55.190 54.408 0.782 2 1 109 . 1 1 A 15 15 HIS CB C 15 33.361 33.380 -0.019 2 1 112 . 1 1 A 15 15 HIS N N 15 118.539 118.392 0.147 2 1 113 . 1 1 A 16 16 GLN H H 16 9.164 8.914 0.250 2 1 114 . 1 1 A 16 16 GLN HA H 16 4.385 4.483 -0.098 2 1 121 . 1 1 A 16 16 GLN C C 16 175.463 175.030 0.433 2 1 122 . 1 1 A 16 16 GLN CA C 16 55.992 55.254 0.738 2 1 123 . 1 1 A 16 16 GLN CB C 16 29.159 30.304 -1.145 2 1 125 . 1 1 A 16 16 GLN N N 16 123.267 124.059 -0.792 2 1 127 . 1 1 A 17 17 VAL H H 17 8.983 8.784 0.199 2 1 128 . 1 1 A 17 17 VAL HA H 17 3.910 4.116 -0.206 2 1 136 . 1 1 A 17 17 VAL C C 17 176.328 175.869 0.459 2 1 137 . 1 1 A 17 17 VAL CA C 17 63.807 63.500 0.307 2 1 138 . 1 1 A 17 17 VAL CB C 17 33.088 32.944 0.144 2 1 141 . 1 1 A 17 17 VAL N N 17 128.880 127.419 1.461 2 1 142 . 1 1 A 18 18 SER H H 18 7.740 7.585 0.155 2 1 143 . 1 1 A 18 18 SER HA H 18 4.589 4.749 -0.160 2 1 146 . 1 1 A 18 18 SER C C 18 171.965 172.280 -0.315 2 1 147 . 1 1 A 18 18 SER CA C 18 57.441 57.350 0.091 2 1 148 . 1 1 A 18 18 SER CB C 18 64.058 65.898 -1.840 2 1 149 . 1 1 A 18 18 SER N N 18 110.447 112.153 -1.706 2 1 150 . 1 1 A 19 19 ALA H H 19 8.114 8.437 -0.323 2 1 151 . 1 1 A 19 19 ALA HA H 19 5.086 4.865 0.221 2 1 155 . 1 1 A 19 19 ALA C C 19 176.404 176.081 0.323 2 1 156 . 1 1 A 19 19 ALA CA C 19 52.453 51.531 0.922 2 1 157 . 1 1 A 19 19 ALA CB C 19 23.038 23.123 -0.085 2 1 158 . 1 1 A 19 19 ALA N N 19 121.116 123.102 -1.986 2 1 159 . 1 1 A 20 20 THR H H 20 8.710 8.571 0.139 2 1 160 . 1 1 A 20 20 THR HA H 20 4.787 4.893 -0.106 2 1 165 . 1 1 A 20 20 THR C C 20 175.596 174.834 0.762 2 1 166 . 1 1 A 20 20 THR CA C 20 60.341 59.977 0.364 2 1 167 . 1 1 A 20 20 THR CB C 20 71.307 71.438 -0.131 2 1 169 . 1 1 A 20 20 THR N N 20 110.762 110.645 0.117 2 1 170 . 1 1 A 21 21 MET H H 21 8.686 8.714 -0.028 2 1 171 . 1 1 A 21 21 MET HA H 21 4.618 4.372 0.246 2 1 179 . 1 1 A 21 21 MET C C 21 174.754 176.679 -1.925 2 1 180 . 1 1 A 21 21 MET CA C 21 59.272 57.413 1.859 2 1 181 . 1 1 A 21 21 MET CB C 21 34.488 32.823 1.665 2 1 184 . 1 1 A 21 21 MET N N 21 118.478 120.194 -1.716 2 1 185 . 1 1 A 22 22 ARG H H 22 7.296 7.735 -0.439 2 1 186 . 1 1 A 22 22 ARG HA H 22 4.453 4.593 -0.140 2 1 193 . 1 1 A 22 22 ARG C C 22 174.722 174.969 -0.247 2 1 194 . 1 1 A 22 22 ARG CA C 22 54.218 55.339 -1.121 2 1 195 . 1 1 A 22 22 ARG CB C 22 32.509 31.524 0.985 2 1 198 . 1 1 A 22 22 ARG N N 22 108.176 117.130 -8.954 2 1 199 . 1 1 A 23 23 SER H H 23 7.387 7.686 -0.299 2 1 200 . 1 1 A 23 23 SER HA H 23 5.353 5.085 0.268 2 1 203 . 1 1 A 23 23 SER C C 23 171.910 172.332 -0.422 2 1 204 . 1 1 A 23 23 SER CA C 23 57.230 57.439 -0.209 2 1 205 . 1 1 A 23 23 SER CB C 23 68.011 66.808 1.203 2 1 206 . 1 1 A 23 23 SER N N 23 114.861 113.869 0.992 2 1 207 . 1 1 A 24 24 ILE H H 24 8.061 8.452 -0.391 2 1 208 . 1 1 A 24 24 ILE HA H 24 4.470 4.728 -0.258 2 1 218 . 1 1 A 24 24 ILE C C 24 174.028 174.514 -0.486 2 1 219 . 1 1 A 24 24 ILE CA C 24 61.402 60.088 1.314 2 1 220 . 1 1 A 24 24 ILE CB C 24 43.249 41.672 1.577 2 1 224 . 1 1 A 24 24 ILE N N 24 116.152 121.380 -5.228 2 1 225 . 1 1 A 25 25 THR H H 25 8.584 8.865 -0.281 2 1 226 . 1 1 A 25 25 THR HA H 25 5.107 4.939 0.168 2 1 231 . 1 1 A 25 25 THR C C 25 173.463 173.452 0.011 2 1 232 . 1 1 A 25 25 THR CA C 25 62.127 61.658 0.469 2 1 233 . 1 1 A 25 25 THR CB C 25 68.954 70.402 -1.448 2 1 235 . 1 1 A 25 25 THR N N 25 122.080 123.009 -0.929 2 1 236 . 1 1 A 26 26 LEU H H 26 9.093 8.533 0.560 2 1 237 . 1 1 A 26 26 LEU HA H 26 5.427 4.985 0.442 2 1 247 . 1 1 A 26 26 LEU C C 26 175.180 175.302 -0.122 2 1 248 . 1 1 A 26 26 LEU CA C 26 53.181 53.383 -0.202 2 1 249 . 1 1 A 26 26 LEU CB C 26 46.902 46.687 0.215 2 1 253 . 1 1 A 26 26 LEU N N 26 128.231 126.382 1.849 2 1 254 . 1 1 A 27 27 SER H H 27 9.260 8.825 0.435 2 1 255 . 1 1 A 27 27 SER HA H 27 4.757 4.842 -0.085 2 1 258 . 1 1 A 27 27 SER C C 27 172.413 172.822 -0.409 2 1 259 . 1 1 A 27 27 SER CA C 27 56.912 57.179 -0.267 2 1 260 . 1 1 A 27 27 SER CB C 27 66.220 65.664 0.556 2 1 261 . 1 1 A 27 27 SER N N 27 115.325 114.438 0.887 2 1 262 . 1 1 A 28 28 TRP H H 28 7.430 7.952 -0.522 2 1 263 . 1 1 A 28 28 TRP HA H 28 5.212 5.463 -0.251 2 1 272 . 1 1 A 28 28 TRP C C 28 171.555 173.370 -1.815 2 1 273 . 1 1 A 28 28 TRP CA C 28 55.143 54.811 0.332 2 1 274 . 1 1 A 28 28 TRP CB C 28 28.918 31.648 -2.730 2 1 280 . 1 1 A 28 28 TRP N N 28 119.703 121.425 -1.722 2 1 282 . 1 1 A 29 29 PRO HA H 29 4.543 4.560 -0.017 2 1 289 . 1 1 A 29 29 PRO C C 29 175.962 176.179 -0.217 2 1 290 . 1 1 A 29 29 PRO CA C 29 61.702 62.785 -1.083 2 1 291 . 1 1 A 29 29 PRO CB C 29 32.041 32.318 -0.277 2 1 294 . 1 1 A 30 30 GLN H H 30 8.248 8.527 -0.279 2 1 295 . 1 1 A 30 30 GLN HA H 30 4.654 4.645 0.009 2 1 302 . 1 1 A 30 30 GLN C C 30 174.856 174.937 -0.081 2 1 303 . 1 1 A 30 30 GLN CA C 30 54.524 53.876 0.648 2 1 304 . 1 1 A 30 30 GLN CB C 30 28.623 29.874 -1.251 2 1 306 . 1 1 A 30 30 GLN N N 30 117.321 121.278 -3.957 2 1 308 . 1 1 A 31 31 PRO HA H 31 4.116 4.800 -0.684 2 1 315 . 1 1 A 31 31 PRO C C 31 175.787 176.470 -0.683 2 1 316 . 1 1 A 31 31 PRO CA C 31 63.364 62.965 0.399 2 1 317 . 1 1 A 31 31 PRO CB C 31 32.503 33.330 -0.827 2 1 320 . 1 1 A 32 32 GLU H H 32 8.367 8.670 -0.303 2 1 321 . 1 1 A 32 32 GLU HA H 32 4.004 4.541 -0.537 2 1 326 . 1 1 A 32 32 GLU C C 32 176.748 176.856 -0.108 2 1 327 . 1 1 A 32 32 GLU CA C 32 58.644 56.505 2.139 2 1 328 . 1 1 A 32 32 GLU CB C 32 30.271 30.944 -0.673 2 1 330 . 1 1 A 32 32 GLU N N 32 122.959 118.398 4.561 2 1 331 . 1 1 A 33 33 GLN H H 33 8.220 7.732 0.488 2 1 332 . 1 1 A 33 33 GLN HA H 33 4.820 4.866 -0.046 2 1 339 . 1 1 A 33 33 GLN C C 33 172.938 174.328 -1.390 2 1 340 . 1 1 A 33 33 GLN CA C 33 52.544 53.517 -0.973 2 1 341 . 1 1 A 33 33 GLN CB C 33 29.077 29.238 -0.161 2 1 343 . 1 1 A 33 33 GLN N N 33 116.413 119.166 -2.753 2 1 345 . 1 1 A 34 34 PRO HA H 34 4.039 4.448 -0.409 2 1 352 . 1 1 A 34 34 PRO C C 34 175.293 176.634 -1.341 2 1 353 . 1 1 A 34 34 PRO CA C 34 64.248 63.662 0.586 2 1 354 . 1 1 A 34 34 PRO CB C 34 31.974 32.098 -0.124 2 1 357 . 1 1 A 35 35 ASN H H 35 8.478 8.118 0.360 2 1 358 . 1 1 A 35 35 ASN HA H 35 4.270 4.391 -0.121 2 1 363 . 1 1 A 35 35 ASN C C 35 173.982 174.519 -0.537 2 1 364 . 1 1 A 35 35 ASN CA C 35 53.655 54.535 -0.880 2 1 365 . 1 1 A 35 35 ASN CB C 35 37.151 37.093 0.058 2 1 366 . 1 1 A 35 35 ASN N N 35 111.907 115.179 -3.272 2 1 368 . 1 1 A 36 36 GLY H H 36 7.537 7.973 -0.436 2 1 369 . 1 1 A 36 36 GLY HA2 H 36 4.247 4.030 0.217 2 1 370 . 1 1 A 36 36 GLY HA3 H 36 3.749 4.040 -0.291 2 1 371 . 1 1 A 36 36 GLY C C 36 172.062 172.455 -0.393 2 1 372 . 1 1 A 36 36 GLY CA C 36 44.147 44.771 -0.624 2 1 373 . 1 1 A 36 36 GLY N N 36 105.149 106.308 -1.159 2 1 374 . 1 1 A 37 37 ILE H H 37 8.107 8.444 -0.337 2 1 375 . 1 1 A 37 37 ILE HA H 37 4.017 4.248 -0.231 2 1 385 . 1 1 A 37 37 ILE C C 37 176.534 175.617 0.917 2 1 386 . 1 1 A 37 37 ILE CA C 37 60.331 61.368 -1.037 2 1 387 . 1 1 A 37 37 ILE CB C 37 38.929 38.262 0.667 2 1 391 . 1 1 A 37 37 ILE N N 37 120.104 121.719 -1.615 2 1 392 . 1 1 A 38 38 ILE H H 38 8.678 8.746 -0.068 2 1 393 . 1 1 A 38 38 ILE HA H 38 3.695 4.105 -0.410 2 1 403 . 1 1 A 38 38 ILE C C 38 176.027 175.352 0.675 2 1 404 . 1 1 A 38 38 ILE CA C 38 61.811 61.334 0.477 2 1 405 . 1 1 A 38 38 ILE CB C 38 37.028 36.928 0.100 2 1 409 . 1 1 A 38 38 ILE N N 38 127.591 128.230 -0.639 2 1 410 . 1 1 A 39 39 LEU H H 39 9.054 8.447 0.607 2 1 411 . 1 1 A 39 39 LEU HA H 39 4.188 4.014 0.174 2 1 421 . 1 1 A 39 39 LEU C C 39 176.826 176.615 0.211 2 1 422 . 1 1 A 39 39 LEU CA C 39 56.416 57.312 -0.896 2 1 423 . 1 1 A 39 39 LEU CB C 39 42.664 42.219 0.445 2 1 427 . 1 1 A 39 39 LEU N N 39 130.577 129.656 0.921 2 1 428 . 1 1 A 40 40 ASP H H 40 7.502 7.569 -0.067 2 1 429 . 1 1 A 40 40 ASP HA H 40 4.392 4.978 -0.586 2 1 432 . 1 1 A 40 40 ASP C C 40 171.781 173.445 -1.664 2 1 433 . 1 1 A 40 40 ASP CA C 40 52.884 52.754 0.130 2 1 434 . 1 1 A 40 40 ASP CB C 40 41.985 44.387 -2.402 2 1 435 . 1 1 A 40 40 ASP N N 40 112.731 114.917 -2.186 2 1 436 . 1 1 A 41 41 TYR H H 41 8.974 8.796 0.178 2 1 437 . 1 1 A 41 41 TYR HA H 41 5.379 5.297 0.082 2 1 444 . 1 1 A 41 41 TYR C C 41 175.555 174.742 0.813 2 1 445 . 1 1 A 41 41 TYR CA C 41 56.574 56.791 -0.217 2 1 446 . 1 1 A 41 41 TYR CB C 41 42.213 41.438 0.775 2 1 449 . 1 1 A 41 41 TYR N N 41 111.324 117.683 -6.359 2 1 450 . 1 1 A 42 42 GLU H H 42 9.184 9.043 0.140 2 1 451 . 1 1 A 42 42 GLU HA H 42 5.066 5.012 0.054 2 1 456 . 1 1 A 42 42 GLU C C 42 174.368 175.305 -0.937 2 1 457 . 1 1 A 42 42 GLU CA C 42 55.126 55.857 -0.731 2 1 458 . 1 1 A 42 42 GLU CB C 42 33.471 31.482 1.989 2 1 460 . 1 1 A 42 42 GLU N N 42 120.875 124.543 -3.668 2 1 461 . 1 1 A 43 43 ILE H H 43 9.355 8.987 0.368 2 1 462 . 1 1 A 43 43 ILE HA H 43 4.853 5.222 -0.369 2 1 472 . 1 1 A 43 43 ILE C C 43 174.430 174.411 0.019 2 1 473 . 1 1 A 43 43 ILE CA C 43 60.323 60.312 0.011 2 1 474 . 1 1 A 43 43 ILE CB C 43 40.297 40.867 -0.570 2 1 478 . 1 1 A 43 43 ILE N N 43 126.045 126.367 -0.322 2 1 479 . 1 1 A 44 44 ARG H H 44 9.097 9.099 -0.002 2 1 480 . 1 1 A 44 44 ARG HA H 44 5.545 5.255 0.290 2 1 487 . 1 1 A 44 44 ARG C C 44 175.523 174.489 1.034 2 1 488 . 1 1 A 44 44 ARG CA C 44 54.386 54.414 -0.028 2 1 489 . 1 1 A 44 44 ARG CB C 44 34.638 32.774 1.864 2 1 492 . 1 1 A 44 44 ARG N N 44 127.831 129.088 -1.256 2 1 493 . 1 1 A 45 45 TYR H H 45 8.893 8.553 0.340 2 1 494 . 1 1 A 45 45 TYR HA H 45 6.272 5.970 0.302 2 1 501 . 1 1 A 45 45 TYR C C 45 173.560 173.256 0.304 2 1 502 . 1 1 A 45 45 TYR CA C 45 54.767 55.439 -0.672 2 1 503 . 1 1 A 45 45 TYR CB C 45 43.168 42.282 0.886 2 1 508 . 1 1 A 45 45 TYR N N 45 123.683 123.026 0.657 2 1 509 . 1 1 A 46 46 TYR H H 46 8.479 8.494 -0.015 2 1 510 . 1 1 A 46 46 TYR HA H 46 5.048 5.235 -0.187 2 1 517 . 1 1 A 46 46 TYR C C 46 173.870 174.398 -0.528 2 1 518 . 1 1 A 46 46 TYR CA C 46 55.485 55.697 -0.212 2 1 519 . 1 1 A 46 46 TYR CB C 46 39.975 41.149 -1.174 2 1 524 . 1 1 A 46 46 TYR N N 46 114.778 117.766 -2.988 2 1 525 . 1 1 A 47 47 GLU H H 47 9.111 8.667 0.444 2 1 526 . 1 1 A 47 47 GLU HA H 47 3.819 3.962 -0.143 2 1 531 . 1 1 A 47 47 GLU C C 47 177.764 177.759 0.005 2 1 532 . 1 1 A 47 47 GLU CA C 47 57.123 57.039 0.084 2 1 533 . 1 1 A 47 47 GLU CB C 47 29.773 29.746 0.027 2 1 535 . 1 1 A 47 47 GLU N N 47 122.069 121.442 0.627 2 1 536 . 1 1 A 48 48 LYS H H 48 8.246 8.439 -0.193 2 1 537 . 1 1 A 48 48 LYS HA H 48 3.722 3.963 -0.241 2 1 546 . 1 1 A 48 48 LYS C C 48 176.588 178.031 -1.443 2 1 547 . 1 1 A 48 48 LYS CA C 48 59.774 59.178 0.596 2 1 548 . 1 1 A 48 48 LYS CB C 48 33.032 32.268 0.764 2 1 552 . 1 1 A 48 48 LYS N N 48 122.857 125.093 -2.236 2 1 553 . 1 1 A 49 49 GLU H H 49 8.192 7.736 0.456 2 1 554 . 1 1 A 49 49 GLU HA H 49 4.216 4.367 -0.151 2 1 559 . 1 1 A 49 49 GLU C C 49 176.987 176.983 0.004 2 1 560 . 1 1 A 49 49 GLU CA C 49 57.447 57.782 -0.335 2 1 561 . 1 1 A 49 49 GLU CB C 49 28.987 30.314 -1.327 2 1 563 . 1 1 A 49 49 GLU N N 49 114.305 116.988 -2.683 2 1 564 . 1 1 A 50 50 HIS H H 50 8.329 8.072 0.257 2 1 565 . 1 1 A 50 50 HIS HA H 50 4.928 4.801 0.127 2 1 570 . 1 1 A 50 50 HIS C C 50 173.255 174.709 -1.454 2 1 571 . 1 1 A 50 50 HIS CA C 50 54.372 56.162 -1.790 2 1 572 . 1 1 A 50 50 HIS CB C 50 31.082 31.946 -0.864 2 1 575 . 1 1 A 50 50 HIS N N 50 120.021 118.243 1.778 2 1 576 . 1 1 A 51 51 ASN H H 51 7.687 8.625 -0.938 2 1 577 . 1 1 A 51 51 ASN HA H 51 4.259 4.669 -0.410 2 1 582 . 1 1 A 51 51 ASN C C 51 174.779 175.911 -1.132 2 1 583 . 1 1 A 51 51 ASN CA C 51 52.561 51.127 1.434 2 1 584 . 1 1 A 51 51 ASN CB C 51 39.474 40.753 -1.279 2 1 585 . 1 1 A 51 51 ASN N N 51 114.158 118.417 -4.259 2 1 587 . 1 1 A 52 52 GLU H H 52 8.551 8.578 -0.027 2 1 588 . 1 1 A 52 52 GLU HA H 52 2.797 3.715 -0.918 2 1 593 . 1 1 A 52 52 GLU C C 52 177.117 178.697 -1.580 2 1 594 . 1 1 A 52 52 GLU CA C 52 58.155 59.163 -1.008 2 1 595 . 1 1 A 52 52 GLU CB C 52 28.912 29.068 -0.156 2 1 597 . 1 1 A 52 52 GLU N N 52 117.019 120.652 -3.633 2 1 598 . 1 1 A 53 53 PHE H H 53 7.855 8.098 -0.243 2 1 599 . 1 1 A 53 53 PHE HA H 53 4.371 4.146 0.225 2 1 607 . 1 1 A 53 53 PHE C C 53 175.783 177.015 -1.232 2 1 608 . 1 1 A 53 53 PHE CA C 53 58.785 61.272 -2.487 2 1 609 . 1 1 A 53 53 PHE CB C 53 37.747 39.031 -1.284 2 1 615 . 1 1 A 53 53 PHE N N 53 119.462 120.193 -0.731 2 1 616 . 1 1 A 54 54 ASN H H 54 7.744 7.852 -0.108 2 1 617 . 1 1 A 54 54 ASN HA H 54 4.948 4.857 0.091 2 1 622 . 1 1 A 54 54 ASN C C 54 173.922 173.947 -0.025 2 1 623 . 1 1 A 54 54 ASN CA C 54 52.102 52.276 -0.174 2 1 624 . 1 1 A 54 54 ASN CB C 54 38.637 37.089 1.548 2 1 625 . 1 1 A 54 54 ASN N N 54 120.451 116.232 4.219 2 1 627 . 1 1 A 55 55 SER H H 55 7.469 7.897 -0.428 2 1 628 . 1 1 A 55 55 SER HA H 55 4.710 5.210 -0.500 2 1 631 . 1 1 A 55 55 SER C C 55 173.922 172.986 0.936 2 1 632 . 1 1 A 55 55 SER CA C 55 57.883 56.213 1.670 2 1 633 . 1 1 A 55 55 SER CB C 55 66.064 66.150 -0.086 2 1 634 . 1 1 A 55 55 SER N N 55 113.429 115.872 -2.443 2 1 635 . 1 1 A 56 56 SER H H 56 8.458 8.365 0.093 2 1 636 . 1 1 A 56 56 SER HA H 56 4.632 5.090 -0.458 2 1 639 . 1 1 A 56 56 SER C C 56 171.119 173.064 -1.945 2 1 640 . 1 1 A 56 56 SER CA C 56 57.866 57.102 0.764 2 1 641 . 1 1 A 56 56 SER CB C 56 65.164 65.150 0.014 2 1 642 . 1 1 A 56 56 SER N N 56 116.653 117.899 -1.246 2 1 643 . 1 1 A 57 57 MET H H 57 8.355 8.876 -0.520 2 1 644 . 1 1 A 57 57 MET HA H 57 5.776 5.696 0.080 2 1 652 . 1 1 A 57 57 MET C C 57 175.771 175.196 0.575 2 1 653 . 1 1 A 57 57 MET CA C 57 53.913 53.757 0.156 2 1 654 . 1 1 A 57 57 MET CB C 57 36.115 35.691 0.424 2 1 657 . 1 1 A 57 57 MET N N 57 119.463 123.547 -4.084 2 1 658 . 1 1 A 58 58 ALA H H 58 9.547 9.012 0.535 2 1 659 . 1 1 A 58 58 ALA HA H 58 4.890 5.233 -0.343 2 1 663 . 1 1 A 58 58 ALA C C 58 175.328 175.899 -0.571 2 1 664 . 1 1 A 58 58 ALA CA C 58 50.829 51.000 -0.171 2 1 665 . 1 1 A 58 58 ALA CB C 58 22.649 23.096 -0.447 2 1 666 . 1 1 A 58 58 ALA N N 58 127.410 123.230 4.180 2 1 667 . 1 1 A 59 59 ARG H H 59 8.776 8.743 0.033 2 1 668 . 1 1 A 59 59 ARG HA H 59 5.567 5.073 0.494 2 1 675 . 1 1 A 59 59 ARG C C 59 176.336 175.245 1.091 2 1 676 . 1 1 A 59 59 ARG CA C 59 54.843 55.496 -0.653 2 1 677 . 1 1 A 59 59 ARG CB C 59 33.691 32.398 1.293 2 1 680 . 1 1 A 59 59 ARG N N 59 119.945 122.441 -2.496 2 1 681 . 1 1 A 60 60 SER H H 60 8.919 8.537 0.382 2 1 682 . 1 1 A 60 60 SER HA H 60 5.011 5.228 -0.217 2 1 685 . 1 1 A 60 60 SER C C 60 174.614 173.912 0.702 2 1 686 . 1 1 A 60 60 SER CA C 60 56.752 56.793 -0.041 2 1 687 . 1 1 A 60 60 SER CB C 60 66.198 65.492 0.706 2 1 688 . 1 1 A 60 60 SER N N 60 115.274 116.134 -0.860 2 1 689 . 1 1 A 61 61 GLN H H 61 9.367 8.709 0.658 2 1 690 . 1 1 A 61 61 GLN HA H 61 4.556 4.631 -0.075 2 1 697 . 1 1 A 61 61 GLN C C 61 175.391 175.267 0.124 2 1 698 . 1 1 A 61 61 GLN CA C 61 57.664 56.577 1.087 2 1 699 . 1 1 A 61 61 GLN CB C 61 29.763 29.304 0.459 2 1 701 . 1 1 A 61 61 GLN N N 61 124.808 124.041 0.767 2 1 703 . 1 1 A 62 62 THR H H 62 8.075 7.533 0.542 2 1 704 . 1 1 A 62 62 THR HA H 62 4.918 4.634 0.284 2 1 709 . 1 1 A 62 62 THR C C 62 173.106 172.934 0.172 2 1 710 . 1 1 A 62 62 THR CA C 62 59.369 60.148 -0.779 2 1 711 . 1 1 A 62 62 THR CB C 62 70.607 70.074 0.533 2 1 713 . 1 1 A 62 62 THR N N 62 110.260 113.745 -3.485 2 1 714 . 1 1 A 63 63 ASN H H 63 8.575 8.382 0.193 2 1 715 . 1 1 A 63 63 ASN HA H 63 3.457 3.940 -0.483 2 1 720 . 1 1 A 63 63 ASN C C 63 172.343 173.481 -1.138 2 1 721 . 1 1 A 63 63 ASN CA C 63 53.270 52.758 0.512 2 1 722 . 1 1 A 63 63 ASN CB C 63 34.441 38.343 -3.902 2 1 723 . 1 1 A 63 63 ASN N N 63 119.090 120.974 -1.884 2 1 725 . 1 1 A 64 64 THR H H 64 6.850 7.205 -0.354 2 1 726 . 1 1 A 64 64 THR HA H 64 4.296 4.088 0.208 2 1 731 . 1 1 A 64 64 THR C C 64 172.238 172.154 0.084 2 1 732 . 1 1 A 64 64 THR CA C 64 60.501 60.472 0.029 2 1 733 . 1 1 A 64 64 THR CB C 64 71.252 71.159 0.093 2 1 735 . 1 1 A 64 64 THR N N 64 111.612 113.899 -2.287 2 1 736 . 1 1 A 65 65 ALA H H 65 8.619 8.711 -0.092 2 1 737 . 1 1 A 65 65 ALA HA H 65 4.595 5.065 -0.470 2 1 741 . 1 1 A 65 65 ALA C C 65 174.046 174.839 -0.793 2 1 742 . 1 1 A 65 65 ALA CA C 65 52.102 51.188 0.914 2 1 743 . 1 1 A 65 65 ALA CB C 65 22.427 23.285 -0.858 2 1 744 . 1 1 A 65 65 ALA N N 65 124.370 130.172 -5.802 2 1 745 . 1 1 A 66 66 ARG H H 66 8.533 8.768 -0.235 2 1 746 . 1 1 A 66 66 ARG HA H 66 4.973 5.133 -0.160 2 1 753 . 1 1 A 66 66 ARG C C 66 175.240 174.737 0.503 2 1 754 . 1 1 A 66 66 ARG CA C 66 54.560 54.592 -0.032 2 1 755 . 1 1 A 66 66 ARG CB C 66 32.088 33.036 -0.948 2 1 758 . 1 1 A 66 66 ARG N N 66 122.633 122.237 0.396 2 1 759 . 1 1 A 67 67 ILE H H 67 8.967 8.850 0.117 2 1 760 . 1 1 A 67 67 ILE HA H 67 4.013 4.397 -0.384 2 1 770 . 1 1 A 67 67 ILE C C 67 174.026 174.958 -0.932 2 1 771 . 1 1 A 67 67 ILE CA C 67 60.377 59.868 0.509 2 1 772 . 1 1 A 67 67 ILE CB C 67 38.044 37.950 0.094 2 1 776 . 1 1 A 67 67 ILE N N 67 128.560 127.320 1.240 2 1 777 . 1 1 A 68 68 ASP H H 68 8.117 8.563 -0.446 2 1 778 . 1 1 A 68 68 ASP HA H 68 5.060 5.260 -0.200 2 1 781 . 1 1 A 68 68 ASP C C 68 175.792 176.151 -0.359 2 1 782 . 1 1 A 68 68 ASP CA C 68 52.474 52.342 0.132 2 1 783 . 1 1 A 68 68 ASP CB C 68 44.116 43.905 0.211 2 1 784 . 1 1 A 68 68 ASP N N 68 125.243 125.690 -0.447 2 1 785 . 1 1 A 69 69 GLY H H 69 8.568 8.594 -0.026 2 1 786 . 1 1 A 69 69 GLY HA2 H 69 3.951 3.941 0.010 2 1 787 . 1 1 A 69 69 GLY HA3 H 69 3.830 3.950 -0.120 2 1 788 . 1 1 A 69 69 GLY C C 69 175.359 173.924 1.435 2 1 789 . 1 1 A 69 69 GLY CA C 69 46.356 45.944 0.412 2 1 790 . 1 1 A 69 69 GLY N N 69 105.736 111.060 -5.324 2 1 791 . 1 1 A 70 70 LEU H H 70 7.982 7.505 0.477 2 1 792 . 1 1 A 70 70 LEU HA H 70 4.356 4.782 -0.426 2 1 802 . 1 1 A 70 70 LEU C C 70 175.151 175.530 -0.379 2 1 803 . 1 1 A 70 70 LEU CA C 70 53.110 52.977 0.133 2 1 804 . 1 1 A 70 70 LEU CB C 70 40.992 44.783 -3.791 2 1 808 . 1 1 A 70 70 LEU N N 70 118.817 119.983 -1.166 2 1 809 . 1 1 A 71 71 ARG H H 71 8.148 8.528 -0.380 2 1 810 . 1 1 A 71 71 ARG HA H 71 4.922 4.815 0.107 2 1 817 . 1 1 A 71 71 ARG C C 71 174.419 173.925 0.494 2 1 818 . 1 1 A 71 71 ARG CA C 71 53.534 53.117 0.417 2 1 819 . 1 1 A 71 71 ARG CB C 71 32.001 30.994 1.007 2 1 822 . 1 1 A 71 71 ARG N N 71 118.182 120.729 -2.547 2 1 823 . 1 1 A 72 72 PRO HA H 72 5.168 4.533 0.635 2 1 830 . 1 1 A 72 72 PRO C C 72 178.121 177.636 0.485 2 1 831 . 1 1 A 72 72 PRO CA C 72 63.416 63.680 -0.264 2 1 832 . 1 1 A 72 72 PRO CB C 72 32.908 31.419 1.489 2 1 835 . 1 1 A 73 73 GLY H H 73 7.705 8.801 -1.096 2 1 836 . 1 1 A 73 73 GLY HA2 H 73 3.856 3.969 -0.113 2 1 837 . 1 1 A 73 73 GLY HA3 H 73 3.508 3.975 -0.467 2 1 838 . 1 1 A 73 73 GLY C C 73 173.685 173.849 -0.164 2 1 839 . 1 1 A 73 73 GLY CA C 73 46.731 46.508 0.223 2 1 840 . 1 1 A 73 73 GLY N N 73 112.669 112.120 0.549 2 1 841 . 1 1 A 74 74 MET H H 74 7.511 7.473 0.038 2 1 842 . 1 1 A 74 74 MET HA H 74 4.742 4.966 -0.224 2 1 850 . 1 1 A 74 74 MET C C 74 173.525 174.409 -0.884 2 1 851 . 1 1 A 74 74 MET CA C 74 53.216 54.388 -1.172 2 1 852 . 1 1 A 74 74 MET CB C 74 33.610 36.755 -3.144 2 1 855 . 1 1 A 74 74 MET N N 74 119.820 118.665 1.155 2 1 856 . 1 1 A 75 75 VAL H H 75 7.651 8.502 -0.852 2 1 857 . 1 1 A 75 75 VAL HA H 75 4.361 4.693 -0.332 2 1 865 . 1 1 A 75 75 VAL C C 75 174.677 174.790 -0.113 2 1 866 . 1 1 A 75 75 VAL CA C 75 61.581 61.561 0.020 2 1 867 . 1 1 A 75 75 VAL CB C 75 32.345 32.681 -0.336 2 1 870 . 1 1 A 75 75 VAL N N 75 121.287 123.466 -2.179 2 1 871 . 1 1 A 76 76 TYR H H 76 9.405 9.001 0.404 2 1 872 . 1 1 A 76 76 TYR HA H 76 4.743 5.024 -0.281 2 1 879 . 1 1 A 76 76 TYR C C 76 174.740 174.987 -0.247 2 1 880 . 1 1 A 76 76 TYR CA C 76 57.424 56.477 0.947 2 1 881 . 1 1 A 76 76 TYR CB C 76 41.151 41.520 -0.369 2 1 886 . 1 1 A 76 76 TYR N N 76 126.231 125.774 0.457 2 1 887 . 1 1 A 77 77 VAL H H 77 8.867 8.419 0.448 2 1 888 . 1 1 A 77 77 VAL HA H 77 4.318 4.388 -0.070 2 1 896 . 1 1 A 77 77 VAL C C 77 175.773 175.198 0.575 2 1 897 . 1 1 A 77 77 VAL CA C 77 61.473 62.574 -1.101 2 1 898 . 1 1 A 77 77 VAL CB C 77 31.218 30.758 0.460 2 1 901 . 1 1 A 77 77 VAL N N 77 123.699 124.393 -0.694 2 1 902 . 1 1 A 78 78 VAL H H 78 8.683 8.802 -0.119 2 1 903 . 1 1 A 78 78 VAL HA H 78 4.995 4.933 0.062 2 1 911 . 1 1 A 78 78 VAL C C 78 175.275 175.135 0.140 2 1 912 . 1 1 A 78 78 VAL CA C 78 60.942 61.183 -0.241 2 1 913 . 1 1 A 78 78 VAL CB C 78 34.790 33.367 1.423 2 1 916 . 1 1 A 78 78 VAL N N 78 124.155 128.732 -4.577 2 1 917 . 1 1 A 79 79 GLN H H 79 8.613 8.558 0.055 2 1 918 . 1 1 A 79 79 GLN HA H 79 4.511 4.988 -0.477 2 1 925 . 1 1 A 79 79 GLN C C 79 173.361 174.162 -0.801 2 1 926 . 1 1 A 79 79 GLN CA C 79 54.666 54.123 0.543 2 1 927 . 1 1 A 79 79 GLN CB C 79 36.751 32.955 3.796 2 1 929 . 1 1 A 79 79 GLN N N 79 121.693 124.508 -2.815 2 1 931 . 1 1 A 80 80 VAL H H 80 9.019 8.650 0.369 2 1 932 . 1 1 A 80 80 VAL HA H 80 5.801 5.095 0.706 2 1 940 . 1 1 A 80 80 VAL C C 80 174.526 174.109 0.417 2 1 941 . 1 1 A 80 80 VAL CA C 80 58.750 59.476 -0.726 2 1 942 . 1 1 A 80 80 VAL CB C 80 35.479 34.737 0.742 2 1 945 . 1 1 A 80 80 VAL N N 80 118.559 120.746 -2.187 2 1 946 . 1 1 A 81 81 ARG H H 81 9.199 8.759 0.440 2 1 947 . 1 1 A 81 81 ARG HA H 81 4.951 5.005 -0.054 2 1 955 . 1 1 A 81 81 ARG C C 81 172.660 174.199 -1.539 2 1 956 . 1 1 A 81 81 ARG CA C 81 54.295 53.665 0.630 2 1 957 . 1 1 A 81 81 ARG CB C 81 33.750 33.713 0.037 2 1 960 . 1 1 A 81 81 ARG N N 81 125.225 126.039 -0.814 2 1 962 . 1 1 A 82 82 ALA H H 82 8.762 8.737 0.025 2 1 963 . 1 1 A 82 82 ALA HA H 82 4.820 5.273 -0.453 2 1 967 . 1 1 A 82 82 ALA C C 82 174.783 175.432 -0.649 2 1 968 . 1 1 A 82 82 ALA CA C 82 50.741 50.176 0.565 2 1 969 . 1 1 A 82 82 ALA CB C 82 22.383 21.250 1.133 2 1 970 . 1 1 A 82 82 ALA N N 82 124.292 122.727 1.565 2 1 971 . 1 1 A 83 83 ARG H H 83 8.336 8.353 -0.017 2 1 972 . 1 1 A 83 83 ARG HA H 83 4.737 4.927 -0.190 2 1 980 . 1 1 A 83 83 ARG C C 83 175.290 174.763 0.527 2 1 981 . 1 1 A 83 83 ARG CA C 83 55.727 54.213 1.514 2 1 982 . 1 1 A 83 83 ARG CB C 83 34.562 32.961 1.601 2 1 985 . 1 1 A 83 83 ARG N N 83 121.023 123.453 -2.430 2 1 987 . 1 1 A 84 84 THR H H 84 8.485 8.679 -0.194 2 1 988 . 1 1 A 84 84 THR HA H 84 4.875 4.854 0.021 2 1 993 . 1 1 A 84 84 THR C C 84 176.218 175.202 1.016 2 1 994 . 1 1 A 84 84 THR CA C 84 59.475 59.290 0.185 2 1 995 . 1 1 A 84 84 THR CB C 84 72.440 72.226 0.214 2 1 997 . 1 1 A 84 84 THR N N 84 116.374 116.907 -0.533 2 1 998 . 1 1 A 85 85 VAL H H 85 9.283 8.757 0.526 2 1 999 . 1 1 A 85 85 VAL HA H 85 3.794 3.826 -0.032 2 1 1007 . 1 1 A 85 85 VAL C C 85 175.930 177.254 -1.324 2 1 1008 . 1 1 A 85 85 VAL CA C 85 64.934 64.718 0.216 2 1 1009 . 1 1 A 85 85 VAL CB C 85 31.621 31.633 -0.012 2 1 1012 . 1 1 A 85 85 VAL N N 85 119.099 121.735 -2.636 2 1 1013 . 1 1 A 86 86 ALA H H 86 7.840 7.704 0.136 2 1 1014 . 1 1 A 86 86 ALA HA H 86 4.242 4.150 0.092 2 1 1018 . 1 1 A 86 86 ALA C C 86 177.467 177.459 0.008 2 1 1019 . 1 1 A 86 86 ALA CA C 86 52.774 54.094 -1.320 2 1 1020 . 1 1 A 86 86 ALA CB C 86 19.733 19.964 -0.231 2 1 1021 . 1 1 A 86 86 ALA N N 86 121.263 122.873 -1.610 2 1 1022 . 1 1 A 87 87 GLY H H 87 7.365 7.106 0.259 2 1 1023 . 1 1 A 87 87 GLY HA2 H 87 4.402 4.037 0.365 2 1 1024 . 1 1 A 87 87 GLY HA3 H 87 3.588 4.080 -0.492 2 1 1025 . 1 1 A 87 87 GLY C C 87 171.960 171.078 0.882 2 1 1026 . 1 1 A 87 87 GLY CA C 87 44.170 46.048 -1.879 2 1 1027 . 1 1 A 87 87 GLY N N 87 105.736 102.146 3.590 2 1 1028 . 1 1 A 88 88 TYR H H 88 8.444 8.565 -0.121 2 1 1029 . 1 1 A 88 88 TYR HA H 88 5.063 5.005 0.058 2 1 1036 . 1 1 A 88 88 TYR C C 88 179.239 175.578 3.660 2 1 1037 . 1 1 A 88 88 TYR CA C 88 58.308 56.066 2.243 2 1 1038 . 1 1 A 88 88 TYR CB C 88 41.442 40.554 0.888 2 1 1043 . 1 1 A 88 88 TYR N N 88 116.996 120.307 -3.311 2 1 1044 . 1 1 A 89 89 GLY H H 89 8.676 8.537 0.139 2 1 1045 . 1 1 A 89 89 GLY HA2 H 89 4.324 4.160 0.164 2 1 1046 . 1 1 A 89 89 GLY HA3 H 89 3.973 4.180 -0.207 2 1 1047 . 1 1 A 89 89 GLY C C 89 173.844 173.081 0.763 2 1 1048 . 1 1 A 89 89 GLY CA C 89 43.916 44.232 -0.316 2 1 1049 . 1 1 A 89 89 GLY N N 89 107.850 110.996 -3.146 2 1 1050 . 1 1 A 90 90 LYS H H 90 8.711 8.281 0.430 2 1 1051 . 1 1 A 90 90 LYS HA H 90 4.166 4.168 -0.002 2 1 1060 . 1 1 A 90 90 LYS C C 90 177.819 176.417 1.402 2 1 1061 . 1 1 A 90 90 LYS CA C 90 56.162 56.142 0.020 2 1 1062 . 1 1 A 90 90 LYS CB C 90 32.730 33.007 -0.277 2 1 1066 . 1 1 A 90 90 LYS N N 90 119.382 119.435 -0.053 2 1 1067 . 1 1 A 91 91 PHE H H 91 8.698 8.793 -0.095 2 1 1068 . 1 1 A 91 91 PHE HA H 91 4.241 4.867 -0.626 2 1 1076 . 1 1 A 91 91 PHE C C 91 176.805 175.947 0.858 2 1 1077 . 1 1 A 91 91 PHE CA C 91 61.027 58.010 3.017 2 1 1078 . 1 1 A 91 91 PHE CB C 91 39.995 40.161 -0.166 2 1 1084 . 1 1 A 91 91 PHE N N 91 120.691 120.568 0.123 2 1 1085 . 1 1 A 92 92 SER H H 92 8.311 8.815 -0.504 2 1 1086 . 1 1 A 92 92 SER HA H 92 4.259 4.662 -0.403 2 1 1089 . 1 1 A 92 92 SER C C 92 173.499 174.890 -1.391 2 1 1090 . 1 1 A 92 92 SER CA C 92 58.146 57.686 0.460 2 1 1091 . 1 1 A 92 92 SER CB C 92 65.329 64.977 0.352 2 1 1092 . 1 1 A 92 92 SER N N 92 115.098 116.486 -1.388 2 1 1093 . 1 1 A 93 93 GLY H H 93 8.869 8.553 0.316 2 1 1094 . 1 1 A 93 93 GLY HA2 H 93 4.071 3.970 0.101 2 1 1095 . 1 1 A 93 93 GLY HA3 H 93 3.780 3.981 -0.201 2 1 1096 . 1 1 A 93 93 GLY C C 93 174.375 173.895 0.480 2 1 1097 . 1 1 A 93 93 GLY CA C 93 45.331 45.921 -0.590 2 1 1098 . 1 1 A 93 93 GLY N N 93 106.252 108.288 -2.036 2 1 1099 . 1 1 A 94 94 LYS H H 94 8.619 8.402 0.217 2 1 1100 . 1 1 A 94 94 LYS HA H 94 3.633 4.236 -0.603 2 1 1109 . 1 1 A 94 94 LYS C C 94 176.004 175.756 0.248 2 1 1110 . 1 1 A 94 94 LYS CA C 94 59.068 56.726 2.342 2 1 1111 . 1 1 A 94 94 LYS CB C 94 33.072 32.891 0.181 2 1 1115 . 1 1 A 94 94 LYS N N 94 122.645 123.748 -1.102 2 1 1116 . 1 1 A 95 95 MET H H 95 7.547 8.634 -1.087 2 1 1117 . 1 1 A 95 95 MET HA H 95 4.520 5.006 -0.486 2 1 1125 . 1 1 A 95 95 MET C C 95 173.400 174.081 -0.681 2 1 1126 . 1 1 A 95 95 MET CA C 95 54.701 53.789 0.912 2 1 1127 . 1 1 A 95 95 MET CB C 95 37.784 35.653 2.131 2 1 1130 . 1 1 A 95 95 MET N N 95 122.392 123.226 -0.834 2 1 1131 . 1 1 A 96 96 CYS H H 96 7.888 8.604 -0.716 2 1 1132 . 1 1 A 96 96 CYS HA H 96 5.465 5.120 0.345 2 1 1135 . 1 1 A 96 96 CYS C C 96 173.757 172.916 0.841 2 1 1136 . 1 1 A 96 96 CYS CA C 96 57.353 57.135 0.218 2 1 1137 . 1 1 A 96 96 CYS CB C 96 29.941 29.402 0.539 2 1 1138 . 1 1 A 96 96 CYS N N 96 117.124 121.124 -4.000 2 1 1139 . 1 1 A 97 97 PHE H H 97 9.133 8.930 0.203 2 1 1140 . 1 1 A 97 97 PHE HA H 97 4.879 5.151 -0.272 2 1 1148 . 1 1 A 97 97 PHE C C 97 173.309 175.038 -1.729 2 1 1149 . 1 1 A 97 97 PHE CA C 97 56.983 56.420 0.563 2 1 1150 . 1 1 A 97 97 PHE CB C 97 44.074 41.494 2.580 2 1 1156 . 1 1 A 97 97 PHE N N 97 121.239 123.581 -2.342 2 1 1157 . 1 1 A 98 98 GLN H H 98 8.884 8.891 -0.007 2 1 1158 . 1 1 A 98 98 GLN HA H 98 5.809 5.297 0.512 2 1 1165 . 1 1 A 98 98 GLN C C 98 176.454 175.911 0.543 2 1 1166 . 1 1 A 98 98 GLN CA C 98 54.125 54.566 -0.441 2 1 1167 . 1 1 A 98 98 GLN CB C 98 33.444 30.649 2.795 2 1 1169 . 1 1 A 98 98 GLN N N 98 120.699 122.693 -1.994 2 1 1171 . 1 1 A 99 99 THR H H 99 8.176 8.331 -0.155 2 1 1172 . 1 1 A 99 99 THR HA H 99 4.324 4.630 -0.306 2 1 1177 . 1 1 A 99 99 THR C C 99 175.929 174.298 1.631 2 1 1178 . 1 1 A 99 99 THR CA C 99 60.341 61.168 -0.827 2 1 1179 . 1 1 A 99 99 THR CB C 99 70.070 71.581 -1.511 2 1 1181 . 1 1 A 99 99 THR N N 99 112.214 114.015 -1.801 2 1 1182 . 1 1 A 100 100 LEU H H 100 7.368 8.373 -1.005 2 1 1183 . 1 1 A 100 100 LEU HA H 100 4.310 4.407 -0.097 2 1 1193 . 1 1 A 100 100 LEU C C 100 177.359 176.701 0.658 2 1 1194 . 1 1 A 100 100 LEU CA C 100 54.790 55.090 -0.300 2 1 1195 . 1 1 A 100 100 LEU CB C 100 42.096 42.224 -0.128 2 1 1199 . 1 1 A 100 100 LEU N N 100 117.018 122.481 -5.463 2 1 1200 . 1 1 A 101 101 THR H H 101 7.997 8.513 -0.516 2 1 1201 . 1 1 A 101 101 THR HA H 101 4.123 4.949 -0.826 2 1 1206 . 1 1 A 101 101 THR C C 101 174.014 173.578 0.436 2 1 1207 . 1 1 A 101 101 THR CA C 101 61.968 60.867 1.101 2 1 1208 . 1 1 A 101 101 THR CB C 101 70.172 69.937 0.235 2 1 1210 . 1 1 A 101 101 THR N N 101 110.428 116.138 -5.710 2 1 1211 . 1 1 A 102 102 ASP H H 102 8.320 8.900 -0.580 2 1 1212 . 1 1 A 102 102 ASP HA H 102 4.853 4.564 0.289 2 1 1215 . 1 1 A 102 102 ASP C C 102 176.204 176.236 -0.032 2 1 1216 . 1 1 A 102 102 ASP CA C 102 53.694 55.187 -1.493 2 1 1217 . 1 1 A 102 102 ASP CB C 102 41.808 40.706 1.102 2 1 1218 . 1 1 A 102 102 ASP N N 102 120.693 126.869 -6.176 2 1 1219 . 1 1 A 103 103 SER H H 103 8.294 8.272 0.022 2 1 1220 . 1 1 A 103 103 SER HA H 103 4.486 4.640 -0.154 2 1 1223 . 1 1 A 103 103 SER C C 103 174.875 174.299 0.576 2 1 1224 . 1 1 A 103 103 SER CA C 103 58.361 58.753 -0.392 2 1 1225 . 1 1 A 103 103 SER CB C 103 63.942 64.761 -0.819 2 1 1226 . 1 1 A 103 103 SER N N 103 117.442 116.500 0.942 2 1 1227 . 1 1 A 104 104 GLY H H 104 8.393 8.090 0.303 2 1 1228 . 1 1 A 104 104 GLY HA2 H 104 4.104 4.080 0.024 2 1 1229 . 1 1 A 104 104 GLY HA3 H 104 4.104 4.081 0.023 2 1 1230 . 1 1 A 104 104 GLY C C 104 172.016 173.242 -1.226 2 1 1231 . 1 1 A 104 104 GLY CA C 104 44.800 45.170 -0.370 2 1 1232 . 1 1 A 104 104 GLY N N 104 111.065 109.734 1.331 2 1 1233 . 1 1 A 105 105 PRO HA H 105 4.475 4.580 -0.106 2 1 1240 . 1 1 A 105 105 PRO C C 105 177.464 176.277 1.187 2 1 1241 . 1 1 A 105 105 PRO CA C 105 63.329 62.981 0.348 2 1 1242 . 1 1 A 105 105 PRO CB C 105 32.249 32.390 -0.141 2 1 1245 . 1 1 A 106 106 SER H H 106 8.514 8.496 0.018 2 1 1246 . 1 1 A 106 106 SER HA H 106 4.512 4.665 -0.153 2 1 1249 . 1 1 A 106 106 SER C C 106 174.735 173.723 1.012 2 1 1250 . 1 1 A 106 106 SER CA C 106 58.361 58.175 0.186 2 1 1251 . 1 1 A 106 106 SER CB C 106 63.820 64.620 -0.800 2 1 1252 . 1 1 A 106 106 SER N N 106 116.429 116.586 -0.157 2 1 1253 . 1 1 A 107 107 SER H H 107 8.329 8.523 -0.194 2 1 1254 . 1 1 A 107 107 SER HA H 107 4.512 4.709 -0.197 2 1 1257 . 1 1 A 107 107 SER C C 107 174.004 174.467 -0.463 2 1 1258 . 1 1 A 107 107 SER CA C 107 58.414 58.576 -0.162 2 1 1259 . 1 1 A 107 107 SER CB C 107 64.014 64.708 -0.694 2 1 1260 . 1 1 A 107 107 SER N N 107 117.919 117.977 -0.058 2 stop_ save_