data_16143_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16143
_Entry.PDB_ID 2KED
_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 18 . 1 1 1 A 4 4 PRO HA H 2 4.416 4.483 -0.067 1
1 25 . 1 1 1 A 4 4 PRO C C 2 176.996 176.487 0.509 1
1 26 . 1 1 1 A 4 4 PRO CA C 2 63.494 63.362 0.132 1
1 27 . 1 1 1 A 4 4 PRO CB C 2 32.161 31.977 0.184 1
1 30 . 1 1 1 A 5 5 VAL H H 3 8.227 7.892 0.335 1
1 31 . 1 1 1 A 5 5 VAL HA H 3 4.058 3.759 0.299 1
1 39 . 1 1 1 A 5 5 VAL C C 3 176.376 174.383 1.993 1
1 40 . 1 1 1 A 5 5 VAL CA C 3 62.495 62.861 -0.366 1
1 41 . 1 1 1 A 5 5 VAL CB C 3 32.808 29.897 2.911 1
1 43 . 1 1 1 A 5 5 VAL N N 3 121.008 116.482 4.526 1
1 44 . 1 1 1 A 6 6 SER H H 4 8.270 7.853 0.417 1
1 45 . 1 1 1 A 6 6 SER HA H 4 4.409 4.898 -0.489 1
1 48 . 1 1 1 A 6 6 SER C C 4 174.577 172.373 2.204 1
1 49 . 1 1 1 A 6 6 SER CA C 4 58.148 57.783 0.365 1
1 50 . 1 1 1 A 6 6 SER CB C 4 63.870 65.404 -1.534 1
1 51 . 1 1 1 A 6 6 SER N N 4 119.573 116.210 3.363 1
1 52 . 1 1 1 A 7 7 LEU H H 5 8.273 8.975 -0.702 1
1 53 . 1 1 1 A 7 7 LEU HA H 5 4.320 4.705 -0.385 1
1 63 . 1 1 1 A 7 7 LEU C C 5 177.341 175.613 1.728 1
1 64 . 1 1 1 A 7 7 LEU CA C 5 55.388 53.083 2.305 1
1 65 . 1 1 1 A 7 7 LEU CB C 5 42.650 42.808 -0.158 1
1 68 . 1 1 1 A 7 7 LEU N N 5 125.039 130.664 -5.625 1
1 69 . 1 1 1 A 8 8 SER H H 6 8.127 8.370 -0.243 1
1 70 . 1 1 1 A 8 8 SER HA H 6 4.335 3.976 0.359 1
1 73 . 1 1 1 A 8 8 SER C C 6 174.189 172.950 1.239 1
1 74 . 1 1 1 A 8 8 SER CA C 6 58.433 58.811 -0.378 1
1 75 . 1 1 1 A 8 8 SER CB C 6 63.870 61.720 2.150 1
1 76 . 1 1 1 A 8 8 SER N N 6 116.154 119.786 -3.632 1
1 77 . 1 1 1 A 9 9 TYR H H 7 7.971 7.922 0.049 1
1 78 . 1 1 1 A 9 9 TYR HA H 7 4.502 4.485 0.017 1
1 85 . 1 1 1 A 9 9 TYR C C 7 175.520 176.543 -1.023 1
1 86 . 1 1 1 A 9 9 TYR CA C 7 58.008 58.237 -0.229 1
1 87 . 1 1 1 A 9 9 TYR CB C 7 38.956 38.632 0.324 1
1 90 . 1 1 1 A 9 9 TYR N N 7 122.213 119.496 2.717 1
1 91 . 1 1 1 A 10 10 ARG H H 8 8.118 8.891 -0.773 1
1 92 . 1 1 1 A 10 10 ARG HA H 8 4.253 4.271 -0.018 1
1 99 . 1 1 1 A 10 10 ARG C C 8 175.918 176.137 -0.219 1
1 100 . 1 1 1 A 10 10 ARG CA C 8 56.104 56.613 -0.509 1
1 101 . 1 1 1 A 10 10 ARG CB C 8 30.875 30.963 -0.088 1
1 104 . 1 1 1 A 10 10 ARG N N 8 122.182 119.922 2.260 1
1 105 . 1 1 1 A 11 11 CYS H H 9 8.097 7.794 0.303 1
1 106 . 1 1 1 A 11 11 CYS HA H 9 4.909 5.022 -0.113 1
1 109 . 1 1 1 A 11 11 CYS C C 9 173.615 173.318 0.297 1
1 110 . 1 1 1 A 11 11 CYS CA C 9 53.127 53.782 -0.655 1
1 111 . 1 1 1 A 11 11 CYS CB C 9 40.218 44.268 -4.050 1
1 112 . 1 1 1 A 11 11 CYS N N 9 121.280 118.436 2.844 1
1 113 . 1 1 1 A 12 12 PRO HA H 10 4.275 4.387 -0.112 1
1 120 . 1 1 1 A 12 12 PRO C C 10 177.703 176.470 1.233 1
1 121 . 1 1 1 A 12 12 PRO CA C 10 64.859 65.427 -0.568 1
1 122 . 1 1 1 A 12 12 PRO CB C 10 32.508 31.344 1.164 1
1 125 . 1 1 1 A 13 13 CYS H H 11 8.248 8.334 -0.086 1
1 126 . 1 1 1 A 13 13 CYS HA H 11 4.827 4.230 0.597 1
1 129 . 1 1 1 A 13 13 CYS C C 11 174.202 173.379 0.823 1
1 130 . 1 1 1 A 13 13 CYS CA C 11 53.429 54.202 -0.773 1
1 131 . 1 1 1 A 13 13 CYS CB C 11 39.603 42.587 -2.984 1
1 132 . 1 1 1 A 13 13 CYS N N 11 114.161 115.949 -1.788 1
1 133 . 1 1 1 A 14 14 ARG HA H 12 3.984 4.424 -0.440 1
1 140 . 1 1 1 A 14 14 ARG C C 12 175.202 175.741 -0.539 1
1 141 . 1 1 1 A 14 14 ARG CA C 12 57.293 56.858 0.435 1
1 142 . 1 1 1 A 14 14 ARG CB C 12 31.098 31.136 -0.038 1
1 145 . 1 1 1 A 15 15 PHE H H 13 7.524 6.890 0.634 1
1 146 . 1 1 1 A 15 15 PHE HA H 13 4.488 5.193 -0.705 1
1 154 . 1 1 1 A 15 15 PHE C C 13 174.226 173.202 1.024 1
1 155 . 1 1 1 A 15 15 PHE CA C 13 55.971 55.519 0.452 1
1 156 . 1 1 1 A 15 15 PHE CB C 13 41.059 42.623 -1.564 1
1 160 . 1 1 1 A 15 15 PHE N N 13 116.175 114.832 1.343 1
1 161 . 1 1 1 A 16 16 PHE H H 14 8.309 9.154 -0.845 1
1 162 . 1 1 1 A 16 16 PHE HA H 14 4.794 5.241 -0.447 1
1 170 . 1 1 1 A 16 16 PHE C C 14 175.247 175.133 0.114 1
1 171 . 1 1 1 A 16 16 PHE CA C 14 55.559 56.145 -0.586 1
1 172 . 1 1 1 A 16 16 PHE CB C 14 41.220 43.277 -2.057 1
1 176 . 1 1 1 A 16 16 PHE N N 14 119.656 117.896 1.760 1
1 177 . 1 1 1 A 17 17 GLU H H 15 8.904 9.998 -1.094 1
1 178 . 1 1 1 A 17 17 GLU HA H 15 4.525 4.854 -0.329 1
1 183 . 1 1 1 A 17 17 GLU C C 15 176.747 176.393 0.354 1
1 184 . 1 1 1 A 17 17 GLU CA C 15 56.012 56.051 -0.039 1
1 185 . 1 1 1 A 17 17 GLU CB C 15 30.894 30.718 0.176 1
1 187 . 1 1 1 A 17 17 GLU N N 15 122.929 121.981 0.948 1
1 188 . 1 1 1 A 18 18 SER H H 16 8.752 8.914 -0.162 1
1 189 . 1 1 1 A 18 18 SER HA H 16 4.708 5.104 -0.396 1
1 192 . 1 1 1 A 18 18 SER C C 16 174.278 174.232 0.046 1
1 193 . 1 1 1 A 18 18 SER CA C 16 59.799 56.464 3.335 1
1 194 . 1 1 1 A 18 18 SER CB C 16 64.023 65.395 -1.372 1
1 195 . 1 1 1 A 18 18 SER N N 16 119.679 118.326 1.353 1
1 196 . 1 1 1 A 19 19 HIS H H 17 9.044 9.013 0.031 1
1 197 . 1 1 1 A 19 19 HIS HA H 17 4.873 4.225 0.648 1
1 202 . 1 1 1 A 19 19 HIS C C 17 174.580 174.085 0.495 1
1 203 . 1 1 1 A 19 19 HIS CA C 17 56.240 56.878 -0.638 1
1 204 . 1 1 1 A 19 19 HIS CB C 17 28.272 28.212 0.060 1
1 207 . 1 1 1 A 19 19 HIS N N 17 120.269 120.498 -0.229 1
1 208 . 1 1 1 A 20 20 VAL H H 18 7.212 7.880 -0.668 1
1 209 . 1 1 1 A 20 20 VAL HA H 18 4.226 4.739 -0.513 1
1 217 . 1 1 1 A 20 20 VAL C C 18 174.138 173.847 0.291 1
1 218 . 1 1 1 A 20 20 VAL CA C 18 61.605 60.044 1.561 1
1 219 . 1 1 1 A 20 20 VAL CB C 18 34.102 35.996 -1.894 1
1 221 . 1 1 1 A 20 20 VAL N N 18 119.528 120.746 -1.218 1
1 222 . 1 1 1 A 21 21 ALA H H 19 8.553 8.208 0.345 1
1 223 . 1 1 1 A 21 21 ALA HA H 19 4.340 4.370 -0.030 1
1 227 . 1 1 1 A 21 21 ALA C C 19 177.514 177.278 0.236 1
1 228 . 1 1 1 A 21 21 ALA CA C 19 50.666 50.176 0.490 1
1 229 . 1 1 1 A 21 21 ALA CB C 19 19.660 20.816 -1.156 1
1 230 . 1 1 1 A 21 21 ALA N N 19 131.180 126.338 4.842 1
1 231 . 1 1 1 A 22 22 ARG H H 20 7.726 7.995 -0.269 1
1 232 . 1 1 1 A 22 22 ARG HA H 20 2.590 2.875 -0.285 1
1 239 . 1 1 1 A 22 22 ARG C C 20 178.531 177.319 1.212 1
1 240 . 1 1 1 A 22 22 ARG CA C 20 59.155 58.599 0.556 1
1 241 . 1 1 1 A 22 22 ARG CB C 20 29.167 29.578 -0.411 1
1 244 . 1 1 1 A 22 22 ARG N N 20 124.436 122.951 1.485 1
1 245 . 1 1 1 A 23 23 ALA H H 21 8.150 7.553 0.597 1
1 246 . 1 1 1 A 23 23 ALA HA H 21 4.019 4.123 -0.104 1
1 250 . 1 1 1 A 23 23 ALA C C 21 177.743 178.409 -0.666 1
1 251 . 1 1 1 A 23 23 ALA CA C 21 53.809 53.243 0.566 1
1 252 . 1 1 1 A 23 23 ALA CB C 21 18.688 18.606 0.082 1
1 253 . 1 1 1 A 23 23 ALA N N 21 117.354 120.570 -3.216 1
1 254 . 1 1 1 A 24 24 ASN H H 22 7.706 7.861 -0.155 1
1 255 . 1 1 1 A 24 24 ASN HA H 22 4.906 4.725 0.181 1
1 260 . 1 1 1 A 24 24 ASN C C 22 174.889 175.037 -0.148 1
1 261 . 1 1 1 A 24 24 ASN CA C 22 52.590 53.221 -0.631 1
1 262 . 1 1 1 A 24 24 ASN CB C 22 40.335 38.431 1.904 1
1 263 . 1 1 1 A 24 24 ASN N N 22 112.797 113.182 -0.385 1
1 265 . 1 1 1 A 25 25 VAL H H 23 7.457 7.084 0.373 1
1 266 . 1 1 1 A 25 25 VAL HA H 23 4.326 4.180 0.146 1
1 274 . 1 1 1 A 25 25 VAL C C 23 174.594 176.130 -1.536 1
1 275 . 1 1 1 A 25 25 VAL CA C 23 62.406 62.757 -0.351 1
1 276 . 1 1 1 A 25 25 VAL CB C 23 33.445 32.139 1.306 1
1 278 . 1 1 1 A 25 25 VAL N N 23 118.772 120.892 -2.120 1
1 279 . 1 1 1 A 26 26 LYS H H 24 9.261 9.222 0.039 1
1 280 . 1 1 1 A 26 26 LYS HA H 24 4.406 4.374 0.032 1
1 289 . 1 1 1 A 26 26 LYS C C 24 175.247 176.273 -1.026 1
1 290 . 1 1 1 A 26 26 LYS CA C 24 56.483 57.690 -1.207 1
1 291 . 1 1 1 A 26 26 LYS CB C 24 35.023 33.476 1.547 1
1 295 . 1 1 1 A 26 26 LYS N N 24 125.197 122.842 2.355 1
1 296 . 1 1 1 A 27 27 HIS H H 25 7.811 7.186 0.625 1
1 297 . 1 1 1 A 27 27 HIS HA H 25 4.627 4.932 -0.305 1
1 302 . 1 1 1 A 27 27 HIS C C 25 173.157 172.613 0.544 1
1 303 . 1 1 1 A 27 27 HIS CA C 25 55.463 55.382 0.081 1
1 304 . 1 1 1 A 27 27 HIS CB C 25 31.832 32.851 -1.019 1
1 307 . 1 1 1 A 27 27 HIS N N 25 115.509 118.249 -2.740 1
1 308 . 1 1 1 A 28 28 LEU H H 26 8.311 8.978 -0.667 1
1 309 . 1 1 1 A 28 28 LEU HA H 26 4.991 4.848 0.143 1
1 319 . 1 1 1 A 28 28 LEU C C 26 175.514 175.651 -0.137 1
1 320 . 1 1 1 A 28 28 LEU CA C 26 54.662 53.208 1.454 1
1 321 . 1 1 1 A 28 28 LEU CB C 26 45.594 43.897 1.697 1
1 325 . 1 1 1 A 29 29 LYS H H 27 9.003 8.999 0.004 1
1 326 . 1 1 1 A 29 29 LYS HA H 27 4.578 4.748 -0.170 1
1 335 . 1 1 1 A 29 29 LYS C C 27 173.758 175.030 -1.272 1
1 336 . 1 1 1 A 29 29 LYS CA C 27 54.945 55.112 -0.167 1
1 337 . 1 1 1 A 29 29 LYS CB C 27 36.358 35.410 0.948 1
1 341 . 1 1 1 A 29 29 LYS N N 27 122.740 123.166 -0.426 1
1 342 . 1 1 1 A 30 30 ILE H H 28 8.526 8.975 -0.449 1
1 343 . 1 1 1 A 30 30 ILE HA H 28 4.623 4.660 -0.037 1
1 353 . 1 1 1 A 30 30 ILE C C 28 175.988 174.814 1.174 1
1 354 . 1 1 1 A 30 30 ILE CA C 28 60.122 61.149 -1.027 1
1 355 . 1 1 1 A 30 30 ILE CB C 28 38.795 38.442 0.353 1
1 359 . 1 1 1 A 30 30 ILE N N 28 123.517 127.542 -4.025 1
1 360 . 1 1 1 A 31 31 LEU H H 29 8.910 9.671 -0.761 1
1 361 . 1 1 1 A 31 31 LEU HA H 29 4.553 5.194 -0.641 1
1 371 . 1 1 1 A 31 31 LEU C C 29 176.005 175.287 0.718 1
1 372 . 1 1 1 A 31 31 LEU CA C 29 53.975 53.363 0.612 1
1 373 . 1 1 1 A 31 31 LEU CB C 29 43.485 45.451 -1.966 1
1 376 . 1 1 1 A 31 31 LEU N N 29 128.881 130.210 -1.329 1
1 377 . 1 1 1 A 32 32 ASN H H 30 8.710 9.050 -0.340 1
1 378 . 1 1 1 A 32 32 ASN HA H 30 4.954 5.640 -0.686 1
1 383 . 1 1 1 A 32 32 ASN C C 30 174.462 174.525 -0.063 1
1 384 . 1 1 1 A 32 32 ASN CA C 30 52.413 51.737 0.676 1
1 385 . 1 1 1 A 32 32 ASN CB C 30 39.232 40.043 -0.811 1
1 386 . 1 1 1 A 32 32 ASN N N 30 124.019 124.899 -0.880 1
1 388 . 1 1 1 A 33 33 THR H H 31 8.094 8.704 -0.610 1
1 389 . 1 1 1 A 33 33 THR HA H 31 4.628 4.759 -0.131 1
1 394 . 1 1 1 A 33 33 THR CA C 31 59.475 58.925 0.550 1
1 395 . 1 1 1 A 33 33 THR CB C 31 70.459 71.871 -1.412 1
1 397 . 1 1 1 A 33 33 THR N N 31 118.961 116.346 2.615 1
1 398 . 1 1 1 A 34 34 PRO HA H 32 4.206 4.320 -0.114 1
1 405 . 1 1 1 A 34 34 PRO C C 32 176.814 177.543 -0.729 1
1 406 . 1 1 1 A 34 34 PRO CA C 32 64.445 65.818 -1.373 1
1 407 . 1 1 1 A 34 34 PRO CB C 32 32.170 31.537 0.633 1
1 410 . 1 1 1 A 35 35 ASN H H 33 8.504 8.433 0.071 1
1 411 . 1 1 1 A 35 35 ASN HA H 33 4.342 4.841 -0.499 1
1 416 . 1 1 1 A 35 35 ASN C C 33 174.344 176.093 -1.749 1
1 417 . 1 1 1 A 35 35 ASN CA C 33 54.945 53.217 1.728 1
1 418 . 1 1 1 A 35 35 ASN CB C 33 38.122 39.328 -1.206 1
1 419 . 1 1 1 A 35 35 ASN N N 33 113.042 113.559 -0.517 1
1 421 . 1 1 1 A 36 36 CYS H H 34 7.526 7.866 -0.340 1
1 422 . 1 1 1 A 36 36 CYS HA H 34 4.878 4.673 0.205 1
1 425 . 1 1 1 A 36 36 CYS C C 34 173.880 174.109 -0.229 1
1 426 . 1 1 1 A 36 36 CYS CA C 34 54.622 55.724 -1.102 1
1 427 . 1 1 1 A 36 36 CYS CB C 34 44.780 42.620 2.160 1
1 428 . 1 1 1 A 36 36 CYS N N 34 116.301 116.121 0.180 1
1 429 . 1 1 1 A 37 37 ALA H H 35 8.395 7.700 0.695 1
1 430 . 1 1 1 A 37 37 ALA HA H 35 4.205 4.053 0.152 1
1 434 . 1 1 1 A 37 37 ALA C C 35 176.677 176.613 0.064 1
1 435 . 1 1 1 A 37 37 ALA CA C 35 52.413 54.337 -1.924 1
1 436 . 1 1 1 A 37 37 ALA CB C 35 18.968 17.855 1.113 1
1 437 . 1 1 1 A 37 37 ALA N N 35 125.001 122.940 2.061 1
1 438 . 1 1 1 A 38 38 LEU H H 36 8.004 8.363 -0.359 1
1 439 . 1 1 1 A 38 38 LEU HA H 36 4.206 4.624 -0.418 1
1 449 . 1 1 1 A 38 38 LEU C C 36 176.194 175.164 1.030 1
1 450 . 1 1 1 A 38 38 LEU CA C 36 56.563 54.880 1.683 1
1 451 . 1 1 1 A 38 38 LEU CB C 36 42.465 42.616 -0.151 1
1 455 . 1 1 1 A 38 38 LEU N N 36 121.548 121.065 0.483 1
1 456 . 1 1 1 A 39 39 GLN H H 37 8.471 9.229 -0.758 1
1 457 . 1 1 1 A 39 39 GLN HA H 37 4.621 5.214 -0.593 1
1 464 . 1 1 1 A 39 39 GLN C C 37 173.581 174.438 -0.857 1
1 465 . 1 1 1 A 39 39 GLN CA C 37 54.172 54.390 -0.218 1
1 466 . 1 1 1 A 39 39 GLN CB C 37 32.461 31.755 0.706 1
1 468 . 1 1 1 A 39 39 GLN N N 37 123.271 125.742 -2.471 1
1 470 . 1 1 1 A 40 40 ILE H H 38 9.429 8.703 0.726 1
1 471 . 1 1 1 A 40 40 ILE HA H 38 4.718 4.810 -0.092 1
1 481 . 1 1 1 A 40 40 ILE C C 38 174.547 175.464 -0.917 1
1 482 . 1 1 1 A 40 40 ILE CA C 38 60.122 60.231 -0.109 1
1 483 . 1 1 1 A 40 40 ILE CB C 38 38.899 39.544 -0.645 1
1 487 . 1 1 1 A 40 40 ILE N N 38 124.702 124.787 -0.085 1
1 488 . 1 1 1 A 41 41 VAL H H 39 8.872 8.809 0.063 1
1 489 . 1 1 1 A 41 41 VAL HA H 39 5.027 4.977 0.050 1
1 497 . 1 1 1 A 41 41 VAL C C 39 174.772 175.016 -0.244 1
1 498 . 1 1 1 A 41 41 VAL CA C 39 60.111 61.080 -0.969 1
1 499 . 1 1 1 A 41 41 VAL CB C 39 34.767 33.508 1.259 1
1 501 . 1 1 1 A 41 41 VAL N N 39 124.441 127.951 -3.510 1
1 502 . 1 1 1 A 42 42 ALA H H 40 9.305 9.136 0.169 1
1 503 . 1 1 1 A 42 42 ALA HA H 40 5.289 5.325 -0.036 1
1 507 . 1 1 1 A 42 42 ALA C C 40 175.955 176.042 -0.087 1
1 508 . 1 1 1 A 42 42 ALA CA C 40 50.093 50.885 -0.792 1
1 509 . 1 1 1 A 42 42 ALA CB C 40 24.063 22.928 1.135 1
1 510 . 1 1 1 A 42 42 ALA N N 40 126.567 128.559 -1.992 1
1 511 . 1 1 1 A 43 43 ARG H H 41 8.393 8.624 -0.231 1
1 512 . 1 1 1 A 43 43 ARG HA H 41 5.119 5.210 -0.091 1
1 519 . 1 1 1 A 43 43 ARG C C 41 176.184 175.849 0.335 1
1 520 . 1 1 1 A 43 43 ARG CA C 41 53.900 54.730 -0.830 1
1 521 . 1 1 1 A 43 43 ARG CB C 41 32.306 32.452 -0.146 1
1 524 . 1 1 1 A 43 43 ARG N N 41 118.991 122.830 -3.839 1
1 525 . 1 1 1 A 44 44 LEU H H 42 9.010 8.874 0.136 1
1 526 . 1 1 1 A 44 44 LEU HA H 42 4.934 4.780 0.154 1
1 536 . 1 1 1 A 44 44 LEU C C 42 178.369 178.208 0.161 1
1 537 . 1 1 1 A 44 44 LEU CA C 42 54.329 54.210 0.119 1
1 538 . 1 1 1 A 44 44 LEU CB C 42 41.497 42.179 -0.682 1
1 542 . 1 1 1 A 44 44 LEU N N 42 125.764 124.716 1.048 1
1 543 . 1 1 1 A 45 45 LYS H H 43 8.474 9.342 -0.868 1
1 544 . 1 1 1 A 45 45 LYS HA H 43 3.821 3.947 -0.126 1
1 553 . 1 1 1 A 45 45 LYS CA C 43 59.340 59.658 -0.318 1
1 554 . 1 1 1 A 45 45 LYS CB C 43 33.445 32.240 1.205 1
1 558 . 1 1 1 A 45 45 LYS N N 43 120.489 122.612 -2.123 1
1 559 . 1 1 1 A 46 46 ASN H H 44 8.657 8.132 0.525 1
1 560 . 1 1 1 A 46 46 ASN HA H 44 4.433 4.464 -0.031 1
1 565 . 1 1 1 A 46 46 ASN C C 44 175.970 177.676 -1.706 1
1 566 . 1 1 1 A 46 46 ASN CA C 44 55.457 56.051 -0.594 1
1 567 . 1 1 1 A 46 46 ASN CB C 44 37.507 38.551 -1.044 1
1 569 . 1 1 1 A 47 47 ASN H H 45 7.566 7.896 -0.330 1
1 570 . 1 1 1 A 47 47 ASN HA H 45 4.654 4.785 -0.131 1
1 575 . 1 1 1 A 47 47 ASN C C 45 175.461 175.149 0.312 1
1 576 . 1 1 1 A 47 47 ASN CA C 45 52.769 55.420 -2.651 1
1 577 . 1 1 1 A 47 47 ASN CB C 45 39.203 39.180 0.023 1
1 578 . 1 1 1 A 47 47 ASN N N 45 115.277 117.484 -2.207 1
1 580 . 1 1 1 A 48 48 ASN H H 46 8.008 8.221 -0.213 1
1 581 . 1 1 1 A 48 48 ASN HA H 46 4.649 4.660 -0.011 1
1 586 . 1 1 1 A 48 48 ASN C C 46 174.812 173.939 0.873 1
1 587 . 1 1 1 A 48 48 ASN CA C 46 54.491 54.516 -0.025 1
1 588 . 1 1 1 A 48 48 ASN CB C 46 39.092 38.018 1.074 1
1 589 . 1 1 1 A 48 48 ASN N N 46 116.416 117.547 -1.131 1
1 591 . 1 1 1 A 49 49 ARG H H 47 7.918 7.889 0.029 1
1 592 . 1 1 1 A 49 49 ARG HA H 47 4.206 4.388 -0.182 1
1 599 . 1 1 1 A 49 49 ARG C C 47 175.719 175.130 0.589 1
1 600 . 1 1 1 A 49 49 ARG CA C 47 57.084 55.975 1.109 1
1 601 . 1 1 1 A 49 49 ARG CB C 47 31.785 31.091 0.694 1
1 604 . 1 1 1 A 49 49 ARG N N 47 120.017 119.669 0.348 1
1 605 . 1 1 1 A 50 50 GLN H H 48 8.617 8.688 -0.071 1
1 606 . 1 1 1 A 50 50 GLN HA H 48 5.212 4.943 0.269 1
1 613 . 1 1 1 A 50 50 GLN C C 48 175.697 175.876 -0.179 1
1 614 . 1 1 1 A 50 50 GLN CA C 48 55.454 55.353 0.101 1
1 615 . 1 1 1 A 50 50 GLN CB C 48 30.953 29.891 1.062 1
1 617 . 1 1 1 A 50 50 GLN N N 48 123.029 122.831 0.198 1
1 619 . 1 1 1 A 51 51 VAL H H 49 9.009 9.582 -0.573 1
1 620 . 1 1 1 A 51 51 VAL HA H 49 4.747 4.975 -0.228 1
1 628 . 1 1 1 A 51 51 VAL C C 49 174.561 174.052 0.509 1
1 629 . 1 1 1 A 51 51 VAL CA C 49 59.266 59.503 -0.237 1
1 630 . 1 1 1 A 51 51 VAL CB C 49 35.845 35.017 0.828 1
1 633 . 1 1 1 A 51 51 VAL N N 49 119.358 119.906 -0.548 1
1 634 . 1 1 1 A 52 52 CYS H H 50 8.850 8.828 0.022 1
1 635 . 1 1 1 A 52 52 CYS HA H 50 5.605 5.835 -0.230 1
1 638 . 1 1 1 A 52 52 CYS C C 50 174.469 173.258 1.211 1
1 639 . 1 1 1 A 52 52 CYS CA C 50 56.377 54.549 1.828 1
1 640 . 1 1 1 A 52 52 CYS CB C 50 44.694 43.257 1.437 1
1 641 . 1 1 1 A 52 52 CYS N N 50 120.834 119.700 1.134 1
1 642 . 1 1 1 A 53 53 ILE H H 51 8.656 9.699 -1.043 1
1 643 . 1 1 1 A 53 53 ILE HA H 51 4.461 4.654 -0.193 1
1 653 . 1 1 1 A 53 53 ILE C C 51 174.137 174.708 -0.571 1
1 654 . 1 1 1 A 53 53 ILE CA C 51 59.671 60.188 -0.517 1
1 655 . 1 1 1 A 53 53 ILE CB C 51 39.603 40.285 -0.682 1
1 659 . 1 1 1 A 53 53 ILE N N 51 122.740 126.236 -3.496 1
1 660 . 1 1 1 A 54 54 ASP H H 52 7.746 7.953 -0.207 1
1 661 . 1 1 1 A 54 54 ASP HA H 52 3.650 4.458 -0.808 1
1 664 . 1 1 1 A 54 54 ASP CA C 52 51.578 51.665 -0.087 1
1 665 . 1 1 1 A 54 54 ASP CB C 52 42.384 42.254 0.130 1
1 666 . 1 1 1 A 54 54 ASP N N 52 126.398 126.582 -0.184 1
1 667 . 1 1 1 A 55 55 PRO HA H 53 3.990 4.337 -0.347 1
1 674 . 1 1 1 A 55 55 PRO C C 53 176.274 176.352 -0.078 1
1 675 . 1 1 1 A 55 55 PRO CA C 53 63.546 63.830 -0.284 1
1 676 . 1 1 1 A 55 55 PRO CB C 53 32.272 31.359 0.913 1
1 679 . 1 1 1 A 56 56 LYS H H 54 8.054 7.584 0.470 1
1 680 . 1 1 1 A 56 56 LYS HA H 54 3.954 4.375 -0.421 1
1 689 . 1 1 1 A 56 56 LYS C C 54 177.867 176.416 1.451 1
1 690 . 1 1 1 A 56 56 LYS CA C 54 56.189 56.038 0.151 1
1 691 . 1 1 1 A 56 56 LYS CB C 54 31.680 33.197 -1.517 1
1 695 . 1 1 1 A 56 56 LYS N N 54 115.161 116.754 -1.593 1
1 696 . 1 1 1 A 57 57 LEU H H 55 7.172 6.854 0.318 1
1 697 . 1 1 1 A 57 57 LEU HA H 55 4.021 4.136 -0.115 1
1 707 . 1 1 1 A 57 57 LEU C C 55 179.221 177.601 1.620 1
1 708 . 1 1 1 A 57 57 LEU CA C 55 55.781 55.172 0.609 1
1 709 . 1 1 1 A 57 57 LEU CB C 55 41.739 41.638 0.101 1
1 713 . 1 1 1 A 57 57 LEU N N 55 120.921 121.428 -0.507 1
1 714 . 1 1 1 A 58 58 LYS H H 56 8.753 8.933 -0.180 1
1 715 . 1 1 1 A 58 58 LYS HA H 56 3.898 3.906 -0.008 1
1 724 . 1 1 1 A 58 58 LYS C C 56 179.161 178.151 1.010 1
1 725 . 1 1 1 A 58 58 LYS CA C 56 60.318 59.814 0.504 1
1 726 . 1 1 1 A 58 58 LYS CB C 56 32.100 32.170 -0.070 1
1 730 . 1 1 1 A 58 58 LYS N N 56 125.449 124.726 0.723 1
1 731 . 1 1 1 A 59 59 TRP H H 57 7.889 8.416 -0.527 1
1 732 . 1 1 1 A 59 59 TRP HA H 57 4.612 4.887 -0.275 1
1 741 . 1 1 1 A 59 59 TRP C C 57 178.642 179.359 -0.717 1
1 742 . 1 1 1 A 59 59 TRP CA C 57 58.388 59.912 -1.524 1
1 743 . 1 1 1 A 59 59 TRP CB C 57 27.954 28.045 -0.091 1
1 749 . 1 1 1 A 59 59 TRP N N 57 113.858 119.204 -5.346 1
1 751 . 1 1 1 A 60 60 ILE H H 58 6.296 7.431 -1.135 1
1 752 . 1 1 1 A 60 60 ILE HA H 58 3.627 3.358 0.269 1
1 762 . 1 1 1 A 60 60 ILE C C 58 177.104 177.732 -0.628 1
1 763 . 1 1 1 A 60 60 ILE CA C 58 61.605 64.396 -2.791 1
1 764 . 1 1 1 A 60 60 ILE CB C 58 36.043 36.111 -0.068 1
1 768 . 1 1 1 A 60 60 ILE N N 58 123.265 122.244 1.021 1
1 769 . 1 1 1 A 61 61 GLN H H 59 7.650 8.232 -0.582 1
1 770 . 1 1 1 A 61 61 GLN HA H 59 3.811 3.923 -0.112 1
1 777 . 1 1 1 A 61 61 GLN C C 59 178.933 179.104 -0.171 1
1 778 . 1 1 1 A 61 61 GLN CA C 59 59.663 59.208 0.455 1
1 779 . 1 1 1 A 61 61 GLN CB C 59 27.972 28.390 -0.418 1
1 781 . 1 1 1 A 61 61 GLN N N 59 120.850 119.318 1.532 1
1 783 . 1 1 1 A 62 62 GLU H H 60 8.057 7.950 0.107 1
1 784 . 1 1 1 A 62 62 GLU HA H 60 4.081 4.090 -0.009 1
1 789 . 1 1 1 A 62 62 GLU C C 60 178.539 178.606 -0.067 1
1 790 . 1 1 1 A 62 62 GLU CA C 60 59.152 59.364 -0.212 1
1 791 . 1 1 1 A 62 62 GLU CB C 60 29.896 29.686 0.210 1
1 793 . 1 1 1 A 62 62 GLU N N 60 117.976 120.578 -2.602 1
1 794 . 1 1 1 A 63 63 TYR H H 61 8.004 8.036 -0.032 1
1 795 . 1 1 1 A 63 63 TYR HA H 61 4.216 4.201 0.015 1
1 802 . 1 1 1 A 63 63 TYR C C 61 178.157 177.100 1.057 1
1 803 . 1 1 1 A 63 63 TYR CA C 61 61.281 61.389 -0.108 1
1 804 . 1 1 1 A 63 63 TYR CB C 61 38.956 38.724 0.232 1
1 807 . 1 1 1 A 63 63 TYR N N 61 120.743 122.186 -1.443 1
1 808 . 1 1 1 A 64 64 LEU H H 62 8.460 8.571 -0.111 1
1 809 . 1 1 1 A 64 64 LEU HA H 62 3.850 3.638 0.212 1
1 819 . 1 1 1 A 64 64 LEU C C 62 178.678 179.016 -0.338 1
1 820 . 1 1 1 A 64 64 LEU CA C 62 57.619 57.486 0.133 1
1 821 . 1 1 1 A 64 64 LEU CB C 62 41.868 41.155 0.713 1
1 825 . 1 1 1 A 64 64 LEU N N 62 119.052 119.064 -0.012 1
1 826 . 1 1 1 A 65 65 GLU H H 63 7.850 8.551 -0.701 1
1 827 . 1 1 1 A 65 65 GLU HA H 63 3.974 3.894 0.080 1
1 832 . 1 1 1 A 65 65 GLU C C 63 178.447 179.027 -0.580 1
1 833 . 1 1 1 A 65 65 GLU CA C 63 59.143 59.996 -0.853 1
1 834 . 1 1 1 A 65 65 GLU CB C 63 29.721 29.259 0.462 1
1 836 . 1 1 1 A 65 65 GLU N N 63 118.310 120.159 -1.849 1
1 837 . 1 1 1 A 66 66 LYS H H 64 7.648 7.997 -0.349 1
1 838 . 1 1 1 A 66 66 LYS HA H 64 4.156 3.956 0.200 1
1 847 . 1 1 1 A 66 66 LYS C C 64 177.941 178.638 -0.697 1
1 848 . 1 1 1 A 66 66 LYS CA C 64 57.820 59.377 -1.557 1
1 849 . 1 1 1 A 66 66 LYS CB C 64 32.620 32.259 0.361 1
1 853 . 1 1 1 A 66 66 LYS N N 64 117.638 121.073 -3.435 1
1 854 . 1 1 1 A 67 67 ALA H H 65 8.004 7.889 0.115 1
1 855 . 1 1 1 A 67 67 ALA HA H 65 4.068 3.978 0.090 1
1 859 . 1 1 1 A 67 67 ALA C C 65 178.624 179.355 -0.731 1
1 860 . 1 1 1 A 67 67 ALA CA C 65 53.790 54.679 -0.889 1
1 861 . 1 1 1 A 67 67 ALA CB C 65 19.082 18.302 0.780 1
1 862 . 1 1 1 A 67 67 ALA N N 65 121.228 120.344 0.884 1
1 863 . 1 1 1 A 68 68 LEU H H 66 7.791 7.922 -0.131 1
1 864 . 1 1 1 A 68 68 LEU HA H 66 4.274 4.063 0.211 1
1 874 . 1 1 1 A 68 68 LEU CA C 66 55.593 56.840 -1.247 1
1 875 . 1 1 1 A 68 68 LEU CB C 66 42.329 42.158 0.171 1
1 878 . 1 1 1 A 68 68 LEU N N 66 116.882 119.147 -2.265 1
1 879 . 1 1 1 A 69 69 ASN H H 67 7.914 8.066 -0.152 1
1 880 . 1 1 1 A 69 69 ASN HA H 67 4.803 4.491 0.312 1
1 885 . 1 1 1 A 69 69 ASN C C 67 174.039 177.353 -3.314 1
1 886 . 1 1 1 A 69 69 ASN CA C 67 53.434 55.452 -2.018 1
1 887 . 1 1 1 A 69 69 ASN CB C 67 39.601 38.462 1.139 1
1 888 . 1 1 1 A 69 69 ASN N N 67 118.309 117.190 1.119 1
1 18 . 2 1 1 A 4 4 PRO HA H 2 4.416 4.649 -0.233 1
1 25 . 2 1 1 A 4 4 PRO C C 2 176.996 176.874 0.122 1
1 26 . 2 1 1 A 4 4 PRO CA C 2 63.494 62.730 0.764 1
1 27 . 2 1 1 A 4 4 PRO CB C 2 32.161 31.781 0.380 1
1 30 . 2 1 1 A 5 5 VAL H H 3 8.227 8.686 -0.459 1
1 31 . 2 1 1 A 5 5 VAL HA H 3 4.058 4.096 -0.038 1
1 39 . 2 1 1 A 5 5 VAL C C 3 176.376 176.255 0.121 1
1 40 . 2 1 1 A 5 5 VAL CA C 3 62.495 63.686 -1.191 1
1 41 . 2 1 1 A 5 5 VAL CB C 3 32.808 32.694 0.114 1
1 43 . 2 1 1 A 5 5 VAL N N 3 121.008 119.439 1.569 1
1 44 . 2 1 1 A 6 6 SER H H 4 8.270 7.787 0.483 1
1 45 . 2 1 1 A 6 6 SER HA H 4 4.409 4.880 -0.471 1
1 48 . 2 1 1 A 6 6 SER C C 4 174.577 173.027 1.550 1
1 49 . 2 1 1 A 6 6 SER CA C 4 58.148 57.222 0.926 1
1 50 . 2 1 1 A 6 6 SER CB C 4 63.870 65.725 -1.855 1
1 51 . 2 1 1 A 6 6 SER N N 4 119.573 111.710 7.863 1
1 52 . 2 1 1 A 7 7 LEU H H 5 8.273 8.812 -0.539 1
1 53 . 2 1 1 A 7 7 LEU HA H 5 4.320 4.649 -0.329 1
1 63 . 2 1 1 A 7 7 LEU C C 5 177.341 176.305 1.036 1
1 64 . 2 1 1 A 7 7 LEU CA C 5 55.388 54.470 0.918 1
1 65 . 2 1 1 A 7 7 LEU CB C 5 42.650 40.746 1.904 1
1 68 . 2 1 1 A 7 7 LEU N N 5 125.039 126.203 -1.164 1
1 69 . 2 1 1 A 8 8 SER H H 6 8.127 8.130 -0.003 1
1 70 . 2 1 1 A 8 8 SER HA H 6 4.335 5.042 -0.707 1
1 73 . 2 1 1 A 8 8 SER C C 6 174.189 174.071 0.118 1
1 74 . 2 1 1 A 8 8 SER CA C 6 58.433 57.013 1.420 1
1 75 . 2 1 1 A 8 8 SER CB C 6 63.870 65.552 -1.682 1
1 76 . 2 1 1 A 8 8 SER N N 6 116.154 119.365 -3.211 1
1 77 . 2 1 1 A 9 9 TYR H H 7 7.971 8.806 -0.835 1
1 78 . 2 1 1 A 9 9 TYR HA H 7 4.502 4.747 -0.245 1
1 85 . 2 1 1 A 9 9 TYR C C 7 175.520 174.913 0.607 1
1 86 . 2 1 1 A 9 9 TYR CA C 7 58.008 59.307 -1.299 1
1 87 . 2 1 1 A 9 9 TYR CB C 7 38.956 39.547 -0.591 1
1 90 . 2 1 1 A 9 9 TYR N N 7 122.213 122.375 -0.162 1
1 91 . 2 1 1 A 10 10 ARG H H 8 8.118 8.403 -0.285 1
1 92 . 2 1 1 A 10 10 ARG HA H 8 4.253 4.713 -0.460 1
1 99 . 2 1 1 A 10 10 ARG C C 8 175.918 173.821 2.097 1
1 100 . 2 1 1 A 10 10 ARG CA C 8 56.104 53.754 2.350 1
1 101 . 2 1 1 A 10 10 ARG CB C 8 30.875 33.441 -2.566 1
1 104 . 2 1 1 A 10 10 ARG N N 8 122.182 123.090 -0.908 1
1 105 . 2 1 1 A 11 11 CYS H H 9 8.097 8.489 -0.392 1
1 106 . 2 1 1 A 11 11 CYS HA H 9 4.909 4.862 0.047 1
1 109 . 2 1 1 A 11 11 CYS C C 9 173.615 173.776 -0.161 1
1 110 . 2 1 1 A 11 11 CYS CA C 9 53.127 54.006 -0.879 1
1 111 . 2 1 1 A 11 11 CYS CB C 9 40.218 43.669 -3.451 1
1 112 . 2 1 1 A 11 11 CYS N N 9 121.280 117.202 4.078 1
1 113 . 2 1 1 A 12 12 PRO HA H 10 4.275 4.157 0.118 1
1 120 . 2 1 1 A 12 12 PRO C C 10 177.703 176.784 0.919 1
1 121 . 2 1 1 A 12 12 PRO CA C 10 64.859 65.440 -0.581 1
1 122 . 2 1 1 A 12 12 PRO CB C 10 32.508 31.320 1.188 1
1 125 . 2 1 1 A 13 13 CYS H H 11 8.248 8.482 -0.234 1
1 126 . 2 1 1 A 13 13 CYS HA H 11 4.827 4.399 0.428 1
1 129 . 2 1 1 A 13 13 CYS C C 11 174.202 172.992 1.210 1
1 130 . 2 1 1 A 13 13 CYS CA C 11 53.429 54.445 -1.016 1
1 131 . 2 1 1 A 13 13 CYS CB C 11 39.603 42.459 -2.856 1
1 132 . 2 1 1 A 13 13 CYS N N 11 114.161 115.312 -1.151 1
1 133 . 2 1 1 A 14 14 ARG HA H 12 3.984 4.333 -0.349 1
1 140 . 2 1 1 A 14 14 ARG C C 12 175.202 175.962 -0.760 1
1 141 . 2 1 1 A 14 14 ARG CA C 12 57.293 57.063 0.230 1
1 142 . 2 1 1 A 14 14 ARG CB C 12 31.098 31.293 -0.195 1
1 145 . 2 1 1 A 15 15 PHE H H 13 7.524 7.291 0.233 1
1 146 . 2 1 1 A 15 15 PHE HA H 13 4.488 5.227 -0.739 1
1 154 . 2 1 1 A 15 15 PHE C C 13 174.226 173.399 0.827 1
1 155 . 2 1 1 A 15 15 PHE CA C 13 55.971 55.596 0.375 1
1 156 . 2 1 1 A 15 15 PHE CB C 13 41.059 43.048 -1.989 1
1 160 . 2 1 1 A 15 15 PHE N N 13 116.175 115.792 0.383 1
1 161 . 2 1 1 A 16 16 PHE H H 14 8.309 9.153 -0.844 1
1 162 . 2 1 1 A 16 16 PHE HA H 14 4.794 5.281 -0.487 1
1 170 . 2 1 1 A 16 16 PHE C C 14 175.247 174.591 0.656 1
1 171 . 2 1 1 A 16 16 PHE CA C 14 55.559 56.109 -0.550 1
1 172 . 2 1 1 A 16 16 PHE CB C 14 41.220 43.450 -2.230 1
1 176 . 2 1 1 A 16 16 PHE N N 14 119.656 118.047 1.609 1
1 177 . 2 1 1 A 17 17 GLU H H 15 8.904 9.594 -0.690 1
1 178 . 2 1 1 A 17 17 GLU HA H 15 4.525 4.771 -0.246 1
1 183 . 2 1 1 A 17 17 GLU C C 15 176.747 177.214 -0.467 1
1 184 . 2 1 1 A 17 17 GLU CA C 15 56.012 56.302 -0.290 1
1 185 . 2 1 1 A 17 17 GLU CB C 15 30.894 31.458 -0.564 1
1 187 . 2 1 1 A 17 17 GLU N N 15 122.929 124.070 -1.141 1
1 188 . 2 1 1 A 18 18 SER H H 16 8.752 8.707 0.045 1
1 189 . 2 1 1 A 18 18 SER HA H 16 4.708 4.818 -0.110 1
1 192 . 2 1 1 A 18 18 SER C C 16 174.278 174.546 -0.268 1
1 193 . 2 1 1 A 18 18 SER CA C 16 59.799 58.109 1.690 1
1 194 . 2 1 1 A 18 18 SER CB C 16 64.023 64.583 -0.560 1
1 195 . 2 1 1 A 18 18 SER N N 16 119.679 119.537 0.142 1
1 196 . 2 1 1 A 19 19 HIS H H 17 9.044 8.492 0.552 1
1 197 . 2 1 1 A 19 19 HIS HA H 17 4.873 4.812 0.061 1
1 202 . 2 1 1 A 19 19 HIS C C 17 174.580 175.377 -0.797 1
1 203 . 2 1 1 A 19 19 HIS CA C 17 56.240 55.371 0.869 1
1 204 . 2 1 1 A 19 19 HIS CB C 17 28.272 29.987 -1.715 1
1 207 . 2 1 1 A 19 19 HIS N N 17 120.269 121.495 -1.226 1
1 208 . 2 1 1 A 20 20 VAL H H 18 7.212 7.345 -0.133 1
1 209 . 2 1 1 A 20 20 VAL HA H 18 4.226 3.979 0.247 1
1 217 . 2 1 1 A 20 20 VAL C C 18 174.138 175.206 -1.068 1
1 218 . 2 1 1 A 20 20 VAL CA C 18 61.605 63.574 -1.969 1
1 219 . 2 1 1 A 20 20 VAL CB C 18 34.102 32.141 1.961 1
1 221 . 2 1 1 A 20 20 VAL N N 18 119.528 120.252 -0.724 1
1 222 . 2 1 1 A 21 21 ALA H H 19 8.553 8.406 0.147 1
1 223 . 2 1 1 A 21 21 ALA HA H 19 4.340 4.494 -0.154 1
1 227 . 2 1 1 A 21 21 ALA C C 19 177.514 177.384 0.130 1
1 228 . 2 1 1 A 21 21 ALA CA C 19 50.666 50.634 0.032 1
1 229 . 2 1 1 A 21 21 ALA CB C 19 19.660 20.152 -0.492 1
1 230 . 2 1 1 A 21 21 ALA N N 19 131.180 130.658 0.522 1
1 231 . 2 1 1 A 22 22 ARG H H 20 7.726 8.041 -0.315 1
1 232 . 2 1 1 A 22 22 ARG HA H 20 2.590 3.362 -0.772 1
1 239 . 2 1 1 A 22 22 ARG C C 20 178.531 176.981 1.550 1
1 240 . 2 1 1 A 22 22 ARG CA C 20 59.155 58.019 1.136 1
1 241 . 2 1 1 A 22 22 ARG CB C 20 29.167 29.125 0.042 1
1 244 . 2 1 1 A 22 22 ARG N N 20 124.436 123.708 0.728 1
1 245 . 2 1 1 A 23 23 ALA H H 21 8.150 7.632 0.518 1
1 246 . 2 1 1 A 23 23 ALA HA H 21 4.019 4.126 -0.107 1
1 250 . 2 1 1 A 23 23 ALA C C 21 177.743 178.483 -0.740 1
1 251 . 2 1 1 A 23 23 ALA CA C 21 53.809 53.194 0.615 1
1 252 . 2 1 1 A 23 23 ALA CB C 21 18.688 18.714 -0.026 1
1 253 . 2 1 1 A 23 23 ALA N N 21 117.354 121.362 -4.008 1
1 254 . 2 1 1 A 24 24 ASN H H 22 7.706 7.964 -0.258 1
1 255 . 2 1 1 A 24 24 ASN HA H 22 4.906 4.719 0.187 1
1 260 . 2 1 1 A 24 24 ASN C C 22 174.889 175.096 -0.207 1
1 261 . 2 1 1 A 24 24 ASN CA C 22 52.590 54.652 -2.062 1
1 262 . 2 1 1 A 24 24 ASN CB C 22 40.335 39.588 0.747 1
1 263 . 2 1 1 A 24 24 ASN N N 22 112.797 115.920 -3.123 1
1 265 . 2 1 1 A 25 25 VAL H H 23 7.457 7.156 0.301 1
1 266 . 2 1 1 A 25 25 VAL HA H 23 4.326 4.273 0.053 1
1 274 . 2 1 1 A 25 25 VAL C C 23 174.594 175.498 -0.904 1
1 275 . 2 1 1 A 25 25 VAL CA C 23 62.406 61.697 0.709 1
1 276 . 2 1 1 A 25 25 VAL CB C 23 33.445 32.691 0.754 1
1 278 . 2 1 1 A 25 25 VAL N N 23 118.772 116.293 2.479 1
1 279 . 2 1 1 A 26 26 LYS H H 24 9.261 9.496 -0.235 1
1 280 . 2 1 1 A 26 26 LYS HA H 24 4.406 4.366 0.040 1
1 289 . 2 1 1 A 26 26 LYS C C 24 175.247 176.445 -1.198 1
1 290 . 2 1 1 A 26 26 LYS CA C 24 56.483 57.778 -1.295 1
1 291 . 2 1 1 A 26 26 LYS CB C 24 35.023 33.277 1.746 1
1 295 . 2 1 1 A 26 26 LYS N N 24 125.197 121.935 3.262 1
1 296 . 2 1 1 A 27 27 HIS H H 25 7.811 7.573 0.238 1
1 297 . 2 1 1 A 27 27 HIS HA H 25 4.627 4.896 -0.269 1
1 302 . 2 1 1 A 27 27 HIS C C 25 173.157 172.796 0.361 1
1 303 . 2 1 1 A 27 27 HIS CA C 25 55.463 56.156 -0.693 1
1 304 . 2 1 1 A 27 27 HIS CB C 25 31.832 32.844 -1.012 1
1 307 . 2 1 1 A 27 27 HIS N N 25 115.509 118.208 -2.699 1
1 308 . 2 1 1 A 28 28 LEU H H 26 8.311 8.819 -0.508 1
1 309 . 2 1 1 A 28 28 LEU HA H 26 4.991 5.266 -0.275 1
1 319 . 2 1 1 A 28 28 LEU C C 26 175.514 175.268 0.246 1
1 320 . 2 1 1 A 28 28 LEU CA C 26 54.662 53.040 1.622 1
1 321 . 2 1 1 A 28 28 LEU CB C 26 45.594 44.766 0.828 1
1 325 . 2 1 1 A 29 29 LYS H H 27 9.003 9.016 -0.013 1
1 326 . 2 1 1 A 29 29 LYS HA H 27 4.578 4.738 -0.160 1
1 335 . 2 1 1 A 29 29 LYS C C 27 173.758 175.036 -1.278 1
1 336 . 2 1 1 A 29 29 LYS CA C 27 54.945 55.080 -0.135 1
1 337 . 2 1 1 A 29 29 LYS CB C 27 36.358 35.633 0.725 1
1 341 . 2 1 1 A 29 29 LYS N N 27 122.740 122.985 -0.245 1
1 342 . 2 1 1 A 30 30 ILE H H 28 8.526 8.963 -0.437 1
1 343 . 2 1 1 A 30 30 ILE HA H 28 4.623 4.625 -0.002 1
1 353 . 2 1 1 A 30 30 ILE C C 28 175.988 174.883 1.105 1
1 354 . 2 1 1 A 30 30 ILE CA C 28 60.122 61.238 -1.116 1
1 355 . 2 1 1 A 30 30 ILE CB C 28 38.795 38.508 0.287 1
1 359 . 2 1 1 A 30 30 ILE N N 28 123.517 127.892 -4.375 1
1 360 . 2 1 1 A 31 31 LEU H H 29 8.910 9.760 -0.850 1
1 361 . 2 1 1 A 31 31 LEU HA H 29 4.553 5.234 -0.681 1
1 371 . 2 1 1 A 31 31 LEU C C 29 176.005 175.444 0.561 1
1 372 . 2 1 1 A 31 31 LEU CA C 29 53.975 53.498 0.477 1
1 373 . 2 1 1 A 31 31 LEU CB C 29 43.485 45.017 -1.532 1
1 376 . 2 1 1 A 31 31 LEU N N 29 128.881 130.291 -1.410 1
1 377 . 2 1 1 A 32 32 ASN H H 30 8.710 9.072 -0.362 1
1 378 . 2 1 1 A 32 32 ASN HA H 30 4.954 5.672 -0.718 1
1 383 . 2 1 1 A 32 32 ASN C C 30 174.462 174.534 -0.072 1
1 384 . 2 1 1 A 32 32 ASN CA C 30 52.413 51.684 0.729 1
1 385 . 2 1 1 A 32 32 ASN CB C 30 39.232 40.002 -0.770 1
1 386 . 2 1 1 A 32 32 ASN N N 30 124.019 124.499 -0.480 1
1 388 . 2 1 1 A 33 33 THR H H 31 8.094 8.869 -0.775 1
1 389 . 2 1 1 A 33 33 THR HA H 31 4.628 4.786 -0.158 1
1 394 . 2 1 1 A 33 33 THR CA C 31 59.475 58.922 0.553 1
1 395 . 2 1 1 A 33 33 THR CB C 31 70.459 71.832 -1.373 1
1 397 . 2 1 1 A 33 33 THR N N 31 118.961 116.355 2.606 1
1 398 . 2 1 1 A 34 34 PRO HA H 32 4.206 4.356 -0.150 1
1 405 . 2 1 1 A 34 34 PRO C C 32 176.814 177.378 -0.564 1
1 406 . 2 1 1 A 34 34 PRO CA C 32 64.445 65.082 -0.637 1
1 407 . 2 1 1 A 34 34 PRO CB C 32 32.170 32.057 0.113 1
1 410 . 2 1 1 A 35 35 ASN H H 33 8.504 8.576 -0.072 1
1 411 . 2 1 1 A 35 35 ASN HA H 33 4.342 4.950 -0.608 1
1 416 . 2 1 1 A 35 35 ASN C C 33 174.344 175.939 -1.595 1
1 417 . 2 1 1 A 35 35 ASN CA C 33 54.945 52.515 2.430 1
1 418 . 2 1 1 A 35 35 ASN CB C 33 38.122 39.829 -1.707 1
1 419 . 2 1 1 A 35 35 ASN N N 33 113.042 112.203 0.839 1
1 421 . 2 1 1 A 36 36 CYS H H 34 7.526 7.514 0.012 1
1 422 . 2 1 1 A 36 36 CYS HA H 34 4.878 4.827 0.051 1
1 425 . 2 1 1 A 36 36 CYS C C 34 173.880 174.168 -0.288 1
1 426 . 2 1 1 A 36 36 CYS CA C 34 54.622 55.692 -1.070 1
1 427 . 2 1 1 A 36 36 CYS CB C 34 44.780 43.262 1.518 1
1 428 . 2 1 1 A 36 36 CYS N N 34 116.301 117.176 -0.875 1
1 429 . 2 1 1 A 37 37 ALA H H 35 8.395 7.636 0.759 1
1 430 . 2 1 1 A 37 37 ALA HA H 35 4.205 4.035 0.170 1
1 434 . 2 1 1 A 37 37 ALA C C 35 176.677 177.028 -0.351 1
1 435 . 2 1 1 A 37 37 ALA CA C 35 52.413 54.337 -1.924 1
1 436 . 2 1 1 A 37 37 ALA CB C 35 18.968 17.848 1.120 1
1 437 . 2 1 1 A 37 37 ALA N N 35 125.001 122.356 2.645 1
1 438 . 2 1 1 A 38 38 LEU H H 36 8.004 8.327 -0.323 1
1 439 . 2 1 1 A 38 38 LEU HA H 36 4.206 4.861 -0.655 1
1 449 . 2 1 1 A 38 38 LEU C C 36 176.194 176.025 0.169 1
1 450 . 2 1 1 A 38 38 LEU CA C 36 56.563 53.734 2.829 1
1 451 . 2 1 1 A 38 38 LEU CB C 36 42.465 42.792 -0.327 1
1 455 . 2 1 1 A 38 38 LEU N N 36 121.548 118.365 3.183 1
1 456 . 2 1 1 A 39 39 GLN H H 37 8.471 9.611 -1.140 1
1 457 . 2 1 1 A 39 39 GLN HA H 37 4.621 5.164 -0.543 1
1 464 . 2 1 1 A 39 39 GLN C C 37 173.581 174.472 -0.891 1
1 465 . 2 1 1 A 39 39 GLN CA C 37 54.172 54.382 -0.210 1
1 466 . 2 1 1 A 39 39 GLN CB C 37 32.461 31.895 0.566 1
1 468 . 2 1 1 A 39 39 GLN N N 37 123.271 119.818 3.453 1
1 470 . 2 1 1 A 40 40 ILE H H 38 9.429 8.557 0.872 1
1 471 . 2 1 1 A 40 40 ILE HA H 38 4.718 4.780 -0.062 1
1 481 . 2 1 1 A 40 40 ILE C C 38 174.547 175.443 -0.896 1
1 482 . 2 1 1 A 40 40 ILE CA C 38 60.122 60.337 -0.215 1
1 483 . 2 1 1 A 40 40 ILE CB C 38 38.899 39.608 -0.709 1
1 487 . 2 1 1 A 40 40 ILE N N 38 124.702 124.277 0.425 1
1 488 . 2 1 1 A 41 41 VAL H H 39 8.872 8.755 0.117 1
1 489 . 2 1 1 A 41 41 VAL HA H 39 5.027 4.891 0.136 1
1 497 . 2 1 1 A 41 41 VAL C C 39 174.772 174.909 -0.137 1
1 498 . 2 1 1 A 41 41 VAL CA C 39 60.111 61.043 -0.932 1
1 499 . 2 1 1 A 41 41 VAL CB C 39 34.767 33.351 1.416 1
1 501 . 2 1 1 A 41 41 VAL N N 39 124.441 127.893 -3.452 1
1 502 . 2 1 1 A 42 42 ALA H H 40 9.305 9.064 0.241 1
1 503 . 2 1 1 A 42 42 ALA HA H 40 5.289 5.567 -0.278 1
1 507 . 2 1 1 A 42 42 ALA C C 40 175.955 174.717 1.238 1
1 508 . 2 1 1 A 42 42 ALA CA C 40 50.093 50.907 -0.814 1
1 509 . 2 1 1 A 42 42 ALA CB C 40 24.063 22.901 1.162 1
1 510 . 2 1 1 A 42 42 ALA N N 40 126.567 128.578 -2.011 1
1 511 . 2 1 1 A 43 43 ARG H H 41 8.393 8.350 0.043 1
1 512 . 2 1 1 A 43 43 ARG HA H 41 5.119 5.227 -0.108 1
1 519 . 2 1 1 A 43 43 ARG C C 41 176.184 175.789 0.395 1
1 520 . 2 1 1 A 43 43 ARG CA C 41 53.900 54.962 -1.062 1
1 521 . 2 1 1 A 43 43 ARG CB C 41 32.306 32.659 -0.353 1
1 524 . 2 1 1 A 43 43 ARG N N 41 118.991 123.303 -4.312 1
1 525 . 2 1 1 A 44 44 LEU H H 42 9.010 9.215 -0.205 1
1 526 . 2 1 1 A 44 44 LEU HA H 42 4.934 4.581 0.353 1
1 536 . 2 1 1 A 44 44 LEU C C 42 178.369 177.544 0.825 1
1 537 . 2 1 1 A 44 44 LEU CA C 42 54.329 54.251 0.078 1
1 538 . 2 1 1 A 44 44 LEU CB C 42 41.497 42.472 -0.975 1
1 542 . 2 1 1 A 44 44 LEU N N 42 125.764 126.675 -0.911 1
1 543 . 2 1 1 A 45 45 LYS H H 43 8.474 9.452 -0.978 1
1 544 . 2 1 1 A 45 45 LYS HA H 43 3.821 3.947 -0.126 1
1 553 . 2 1 1 A 45 45 LYS CA C 43 59.340 59.294 0.046 1
1 554 . 2 1 1 A 45 45 LYS CB C 43 33.445 32.967 0.478 1
1 558 . 2 1 1 A 45 45 LYS N N 43 120.489 122.181 -1.692 1
1 559 . 2 1 1 A 46 46 ASN H H 44 8.657 8.027 0.630 1
1 560 . 2 1 1 A 46 46 ASN HA H 44 4.433 4.463 -0.030 1
1 565 . 2 1 1 A 46 46 ASN C C 44 175.970 177.364 -1.394 1
1 566 . 2 1 1 A 46 46 ASN CA C 44 55.457 56.223 -0.766 1
1 567 . 2 1 1 A 46 46 ASN CB C 44 37.507 38.619 -1.112 1
1 569 . 2 1 1 A 47 47 ASN H H 45 7.566 7.860 -0.294 1
1 570 . 2 1 1 A 47 47 ASN HA H 45 4.654 4.781 -0.127 1
1 575 . 2 1 1 A 47 47 ASN C C 45 175.461 175.187 0.274 1
1 576 . 2 1 1 A 47 47 ASN CA C 45 52.769 55.317 -2.548 1
1 577 . 2 1 1 A 47 47 ASN CB C 45 39.203 39.193 0.010 1
1 578 . 2 1 1 A 47 47 ASN N N 45 115.277 117.053 -1.776 1
1 580 . 2 1 1 A 48 48 ASN H H 46 8.008 8.266 -0.258 1
1 581 . 2 1 1 A 48 48 ASN HA H 46 4.649 4.682 -0.033 1
1 586 . 2 1 1 A 48 48 ASN C C 46 174.812 174.017 0.795 1
1 587 . 2 1 1 A 48 48 ASN CA C 46 54.491 54.558 -0.067 1
1 588 . 2 1 1 A 48 48 ASN CB C 46 39.092 38.272 0.820 1
1 589 . 2 1 1 A 48 48 ASN N N 46 116.416 117.575 -1.159 1
1 591 . 2 1 1 A 49 49 ARG H H 47 7.918 7.902 0.016 1
1 592 . 2 1 1 A 49 49 ARG HA H 47 4.206 4.316 -0.110 1
1 599 . 2 1 1 A 49 49 ARG C C 47 175.719 175.007 0.712 1
1 600 . 2 1 1 A 49 49 ARG CA C 47 57.084 55.918 1.166 1
1 601 . 2 1 1 A 49 49 ARG CB C 47 31.785 31.026 0.759 1
1 604 . 2 1 1 A 49 49 ARG N N 47 120.017 119.929 0.088 1
1 605 . 2 1 1 A 50 50 GLN H H 48 8.617 8.702 -0.085 1
1 606 . 2 1 1 A 50 50 GLN HA H 48 5.212 4.944 0.268 1
1 613 . 2 1 1 A 50 50 GLN C C 48 175.697 175.556 0.141 1
1 614 . 2 1 1 A 50 50 GLN CA C 48 55.454 54.851 0.603 1
1 615 . 2 1 1 A 50 50 GLN CB C 48 30.953 30.652 0.301 1
1 617 . 2 1 1 A 50 50 GLN N N 48 123.029 122.997 0.032 1
1 619 . 2 1 1 A 51 51 VAL H H 49 9.009 9.176 -0.167 1
1 620 . 2 1 1 A 51 51 VAL HA H 49 4.747 5.080 -0.333 1
1 628 . 2 1 1 A 51 51 VAL C C 49 174.561 174.824 -0.263 1
1 629 . 2 1 1 A 51 51 VAL CA C 49 59.266 59.092 0.174 1
1 630 . 2 1 1 A 51 51 VAL CB C 49 35.845 35.641 0.204 1
1 633 . 2 1 1 A 51 51 VAL N N 49 119.358 119.380 -0.022 1
1 634 . 2 1 1 A 52 52 CYS H H 50 8.850 8.658 0.192 1
1 635 . 2 1 1 A 52 52 CYS HA H 50 5.605 5.709 -0.104 1
1 638 . 2 1 1 A 52 52 CYS C C 50 174.469 172.521 1.948 1
1 639 . 2 1 1 A 52 52 CYS CA C 50 56.377 54.346 2.031 1
1 640 . 2 1 1 A 52 52 CYS CB C 50 44.694 44.532 0.162 1
1 641 . 2 1 1 A 52 52 CYS N N 50 120.834 118.708 2.126 1
1 642 . 2 1 1 A 53 53 ILE H H 51 8.656 9.465 -0.809 1
1 643 . 2 1 1 A 53 53 ILE HA H 51 4.461 4.761 -0.300 1
1 653 . 2 1 1 A 53 53 ILE C C 51 174.137 174.993 -0.856 1
1 654 . 2 1 1 A 53 53 ILE CA C 51 59.671 60.159 -0.488 1
1 655 . 2 1 1 A 53 53 ILE CB C 51 39.603 41.175 -1.572 1
1 659 . 2 1 1 A 53 53 ILE N N 51 122.740 124.097 -1.357 1
1 660 . 2 1 1 A 54 54 ASP H H 52 7.746 7.924 -0.178 1
1 661 . 2 1 1 A 54 54 ASP HA H 52 3.650 4.252 -0.602 1
1 664 . 2 1 1 A 54 54 ASP CA C 52 51.578 51.668 -0.090 1
1 665 . 2 1 1 A 54 54 ASP CB C 52 42.384 41.978 0.406 1
1 666 . 2 1 1 A 54 54 ASP N N 52 126.398 126.951 -0.553 1
1 667 . 2 1 1 A 55 55 PRO HA H 53 3.990 4.452 -0.462 1
1 674 . 2 1 1 A 55 55 PRO C C 53 176.274 177.180 -0.906 1
1 675 . 2 1 1 A 55 55 PRO CA C 53 63.546 64.096 -0.550 1
1 676 . 2 1 1 A 55 55 PRO CB C 53 32.272 31.569 0.703 1
1 679 . 2 1 1 A 56 56 LYS H H 54 8.054 8.477 -0.423 1
1 680 . 2 1 1 A 56 56 LYS HA H 54 3.954 4.276 -0.322 1
1 689 . 2 1 1 A 56 56 LYS C C 54 177.867 176.556 1.311 1
1 690 . 2 1 1 A 56 56 LYS CA C 54 56.189 55.898 0.291 1
1 691 . 2 1 1 A 56 56 LYS CB C 54 31.680 31.954 -0.274 1
1 695 . 2 1 1 A 56 56 LYS N N 54 115.161 115.230 -0.069 1
1 696 . 2 1 1 A 57 57 LEU H H 55 7.172 6.716 0.456 1
1 697 . 2 1 1 A 57 57 LEU HA H 55 4.021 4.139 -0.118 1
1 707 . 2 1 1 A 57 57 LEU C C 55 179.221 177.673 1.548 1
1 708 . 2 1 1 A 57 57 LEU CA C 55 55.781 55.242 0.539 1
1 709 . 2 1 1 A 57 57 LEU CB C 55 41.739 41.598 0.141 1
1 713 . 2 1 1 A 57 57 LEU N N 55 120.921 122.590 -1.669 1
1 714 . 2 1 1 A 58 58 LYS H H 56 8.753 8.785 -0.032 1
1 715 . 2 1 1 A 58 58 LYS HA H 56 3.898 3.923 -0.025 1
1 724 . 2 1 1 A 58 58 LYS C C 56 179.161 178.268 0.893 1
1 725 . 2 1 1 A 58 58 LYS CA C 56 60.318 59.523 0.795 1
1 726 . 2 1 1 A 58 58 LYS CB C 56 32.100 32.098 0.002 1
1 730 . 2 1 1 A 58 58 LYS N N 56 125.449 124.607 0.842 1
1 731 . 2 1 1 A 59 59 TRP H H 57 7.889 8.240 -0.351 1
1 732 . 2 1 1 A 59 59 TRP HA H 57 4.612 4.530 0.082 1
1 741 . 2 1 1 A 59 59 TRP C C 57 178.642 179.385 -0.743 1
1 742 . 2 1 1 A 59 59 TRP CA C 57 58.388 59.715 -1.327 1
1 743 . 2 1 1 A 59 59 TRP CB C 57 27.954 28.068 -0.114 1
1 749 . 2 1 1 A 59 59 TRP N N 57 113.858 119.275 -5.417 1
1 751 . 2 1 1 A 60 60 ILE H H 58 6.296 7.580 -1.284 1
1 752 . 2 1 1 A 60 60 ILE HA H 58 3.627 3.324 0.303 1
1 762 . 2 1 1 A 60 60 ILE C C 58 177.104 177.866 -0.762 1
1 763 . 2 1 1 A 60 60 ILE CA C 58 61.605 64.354 -2.749 1
1 764 . 2 1 1 A 60 60 ILE CB C 58 36.043 36.597 -0.554 1
1 768 . 2 1 1 A 60 60 ILE N N 58 123.265 122.222 1.043 1
1 769 . 2 1 1 A 61 61 GLN H H 59 7.650 8.026 -0.376 1
1 770 . 2 1 1 A 61 61 GLN HA H 59 3.811 3.998 -0.187 1
1 777 . 2 1 1 A 61 61 GLN C C 59 178.933 178.868 0.065 1
1 778 . 2 1 1 A 61 61 GLN CA C 59 59.663 59.064 0.599 1
1 779 . 2 1 1 A 61 61 GLN CB C 59 27.972 28.072 -0.100 1
1 781 . 2 1 1 A 61 61 GLN N N 59 120.850 119.479 1.371 1
1 783 . 2 1 1 A 62 62 GLU H H 60 8.057 7.545 0.512 1
1 784 . 2 1 1 A 62 62 GLU HA H 60 4.081 4.029 0.052 1
1 789 . 2 1 1 A 62 62 GLU C C 60 178.539 178.558 -0.019 1
1 790 . 2 1 1 A 62 62 GLU CA C 60 59.152 59.320 -0.168 1
1 791 . 2 1 1 A 62 62 GLU CB C 60 29.896 29.371 0.525 1
1 793 . 2 1 1 A 62 62 GLU N N 60 117.976 120.910 -2.934 1
1 794 . 2 1 1 A 63 63 TYR H H 61 8.004 8.346 -0.342 1
1 795 . 2 1 1 A 63 63 TYR HA H 61 4.216 4.218 -0.002 1
1 802 . 2 1 1 A 63 63 TYR C C 61 178.157 177.067 1.090 1
1 803 . 2 1 1 A 63 63 TYR CA C 61 61.281 61.392 -0.111 1
1 804 . 2 1 1 A 63 63 TYR CB C 61 38.956 38.854 0.102 1
1 807 . 2 1 1 A 63 63 TYR N N 61 120.743 122.499 -1.756 1
1 808 . 2 1 1 A 64 64 LEU H H 62 8.460 8.722 -0.262 1
1 809 . 2 1 1 A 64 64 LEU HA H 62 3.850 3.647 0.203 1
1 819 . 2 1 1 A 64 64 LEU C C 62 178.678 179.054 -0.376 1
1 820 . 2 1 1 A 64 64 LEU CA C 62 57.619 57.571 0.048 1
1 821 . 2 1 1 A 64 64 LEU CB C 62 41.868 41.077 0.791 1
1 825 . 2 1 1 A 64 64 LEU N N 62 119.052 119.447 -0.395 1
1 826 . 2 1 1 A 65 65 GLU H H 63 7.850 8.584 -0.734 1
1 827 . 2 1 1 A 65 65 GLU HA H 63 3.974 3.860 0.114 1
1 832 . 2 1 1 A 65 65 GLU C C 63 178.447 178.757 -0.310 1
1 833 . 2 1 1 A 65 65 GLU CA C 63 59.143 59.892 -0.749 1
1 834 . 2 1 1 A 65 65 GLU CB C 63 29.721 29.077 0.644 1
1 836 . 2 1 1 A 65 65 GLU N N 63 118.310 119.870 -1.560 1
1 837 . 2 1 1 A 66 66 LYS H H 64 7.648 8.033 -0.385 1
1 838 . 2 1 1 A 66 66 LYS HA H 64 4.156 3.965 0.191 1
1 847 . 2 1 1 A 66 66 LYS C C 64 177.941 178.688 -0.747 1
1 848 . 2 1 1 A 66 66 LYS CA C 64 57.820 59.383 -1.563 1
1 849 . 2 1 1 A 66 66 LYS CB C 64 32.620 32.267 0.353 1
1 853 . 2 1 1 A 66 66 LYS N N 64 117.638 119.781 -2.143 1
1 854 . 2 1 1 A 67 67 ALA H H 65 8.004 7.918 0.086 1
1 855 . 2 1 1 A 67 67 ALA HA H 65 4.068 3.954 0.114 1
1 859 . 2 1 1 A 67 67 ALA C C 65 178.624 180.555 -1.931 1
1 860 . 2 1 1 A 67 67 ALA CA C 65 53.790 54.680 -0.890 1
1 861 . 2 1 1 A 67 67 ALA CB C 65 19.082 18.380 0.702 1
1 862 . 2 1 1 A 67 67 ALA N N 65 121.228 120.337 0.891 1
1 863 . 2 1 1 A 68 68 LEU H H 66 7.791 8.599 -0.808 1
1 864 . 2 1 1 A 68 68 LEU HA H 66 4.274 3.984 0.290 1
1 874 . 2 1 1 A 68 68 LEU CA C 66 55.593 57.608 -2.015 1
1 875 . 2 1 1 A 68 68 LEU CB C 66 42.329 41.878 0.451 1
1 878 . 2 1 1 A 68 68 LEU N N 66 116.882 119.847 -2.965 1
1 879 . 2 1 1 A 69 69 ASN H H 67 7.914 7.866 0.048 1
1 880 . 2 1 1 A 69 69 ASN HA H 67 4.803 4.724 0.079 1
1 885 . 2 1 1 A 69 69 ASN C C 67 174.039 176.092 -2.053 1
1 886 . 2 1 1 A 69 69 ASN CA C 67 53.434 54.245 -0.811 1
1 887 . 2 1 1 A 69 69 ASN CB C 67 39.601 39.151 0.450 1
1 888 . 2 1 1 A 69 69 ASN N N 67 118.309 117.075 1.234 1
1 18 . 3 1 1 A 4 4 PRO HA H 2 4.416 4.289 0.127 1
1 25 . 3 1 1 A 4 4 PRO C C 2 176.996 177.198 -0.202 1
1 26 . 3 1 1 A 4 4 PRO CA C 2 63.494 64.542 -1.048 1
1 27 . 3 1 1 A 4 4 PRO CB C 2 32.161 31.921 0.240 1
1 30 . 3 1 1 A 5 5 VAL H H 3 8.227 7.928 0.299 1
1 31 . 3 1 1 A 5 5 VAL HA H 3 4.058 3.741 0.317 1
1 39 . 3 1 1 A 5 5 VAL C C 3 176.376 175.182 1.194 1
1 40 . 3 1 1 A 5 5 VAL CA C 3 62.495 65.091 -2.596 1
1 41 . 3 1 1 A 5 5 VAL CB C 3 32.808 30.208 2.600 1
1 43 . 3 1 1 A 5 5 VAL N N 3 121.008 118.607 2.401 1
1 44 . 3 1 1 A 6 6 SER H H 4 8.270 8.045 0.225 1
1 45 . 3 1 1 A 6 6 SER HA H 4 4.409 4.442 -0.033 1
1 48 . 3 1 1 A 6 6 SER C C 4 174.577 173.662 0.915 1
1 49 . 3 1 1 A 6 6 SER CA C 4 58.148 58.299 -0.151 1
1 50 . 3 1 1 A 6 6 SER CB C 4 63.870 63.419 0.451 1
1 51 . 3 1 1 A 6 6 SER N N 4 119.573 116.098 3.475 1
1 52 . 3 1 1 A 7 7 LEU H H 5 8.273 8.666 -0.393 1
1 53 . 3 1 1 A 7 7 LEU HA H 5 4.320 4.430 -0.110 1
1 63 . 3 1 1 A 7 7 LEU C C 5 177.341 176.543 0.798 1
1 64 . 3 1 1 A 7 7 LEU CA C 5 55.388 54.742 0.646 1
1 65 . 3 1 1 A 7 7 LEU CB C 5 42.650 41.047 1.603 1
1 68 . 3 1 1 A 7 7 LEU N N 5 125.039 127.766 -2.727 1
1 69 . 3 1 1 A 8 8 SER H H 6 8.127 8.478 -0.351 1
1 70 . 3 1 1 A 8 8 SER HA H 6 4.335 4.194 0.141 1
1 73 . 3 1 1 A 8 8 SER C C 6 174.189 173.960 0.229 1
1 74 . 3 1 1 A 8 8 SER CA C 6 58.433 58.869 -0.436 1
1 75 . 3 1 1 A 8 8 SER CB C 6 63.870 63.891 -0.021 1
1 76 . 3 1 1 A 8 8 SER N N 6 116.154 121.168 -5.014 1
1 77 . 3 1 1 A 9 9 TYR H H 7 7.971 8.286 -0.315 1
1 78 . 3 1 1 A 9 9 TYR HA H 7 4.502 4.694 -0.192 1
1 85 . 3 1 1 A 9 9 TYR C C 7 175.520 175.762 -0.242 1
1 86 . 3 1 1 A 9 9 TYR CA C 7 58.008 58.718 -0.710 1
1 87 . 3 1 1 A 9 9 TYR CB C 7 38.956 38.286 0.670 1
1 90 . 3 1 1 A 9 9 TYR N N 7 122.213 121.940 0.273 1
1 91 . 3 1 1 A 10 10 ARG H H 8 8.118 8.499 -0.381 1
1 92 . 3 1 1 A 10 10 ARG HA H 8 4.253 4.706 -0.453 1
1 99 . 3 1 1 A 10 10 ARG C C 8 175.918 175.448 0.470 1
1 100 . 3 1 1 A 10 10 ARG CA C 8 56.104 55.659 0.445 1
1 101 . 3 1 1 A 10 10 ARG CB C 8 30.875 31.035 -0.160 1
1 104 . 3 1 1 A 10 10 ARG N N 8 122.182 122.470 -0.288 1
1 105 . 3 1 1 A 11 11 CYS H H 9 8.097 8.569 -0.472 1
1 106 . 3 1 1 A 11 11 CYS HA H 9 4.909 5.090 -0.181 1
1 109 . 3 1 1 A 11 11 CYS C C 9 173.615 173.858 -0.243 1
1 110 . 3 1 1 A 11 11 CYS CA C 9 53.127 53.810 -0.683 1
1 111 . 3 1 1 A 11 11 CYS CB C 9 40.218 44.907 -4.689 1
1 112 . 3 1 1 A 11 11 CYS N N 9 121.280 119.398 1.882 1
1 113 . 3 1 1 A 12 12 PRO HA H 10 4.275 4.216 0.059 1
1 120 . 3 1 1 A 12 12 PRO C C 10 177.703 176.753 0.950 1
1 121 . 3 1 1 A 12 12 PRO CA C 10 64.859 65.159 -0.300 1
1 122 . 3 1 1 A 12 12 PRO CB C 10 32.508 31.408 1.100 1
1 125 . 3 1 1 A 13 13 CYS H H 11 8.248 8.490 -0.242 1
1 126 . 3 1 1 A 13 13 CYS HA H 11 4.827 4.439 0.388 1
1 129 . 3 1 1 A 13 13 CYS C C 11 174.202 173.105 1.097 1
1 130 . 3 1 1 A 13 13 CYS CA C 11 53.429 54.419 -0.990 1
1 131 . 3 1 1 A 13 13 CYS CB C 11 39.603 42.440 -2.837 1
1 132 . 3 1 1 A 13 13 CYS N N 11 114.161 115.613 -1.452 1
1 133 . 3 1 1 A 14 14 ARG HA H 12 3.984 4.363 -0.379 1
1 140 . 3 1 1 A 14 14 ARG C C 12 175.202 176.086 -0.884 1
1 141 . 3 1 1 A 14 14 ARG CA C 12 57.293 57.324 -0.031 1
1 142 . 3 1 1 A 14 14 ARG CB C 12 31.098 31.298 -0.200 1
1 145 . 3 1 1 A 15 15 PHE H H 13 7.524 7.464 0.060 1
1 146 . 3 1 1 A 15 15 PHE HA H 13 4.488 5.204 -0.716 1
1 154 . 3 1 1 A 15 15 PHE C C 13 174.226 173.383 0.843 1
1 155 . 3 1 1 A 15 15 PHE CA C 13 55.971 55.356 0.615 1
1 156 . 3 1 1 A 15 15 PHE CB C 13 41.059 42.962 -1.903 1
1 160 . 3 1 1 A 15 15 PHE N N 13 116.175 115.046 1.129 1
1 161 . 3 1 1 A 16 16 PHE H H 14 8.309 9.387 -1.078 1
1 162 . 3 1 1 A 16 16 PHE HA H 14 4.794 5.125 -0.331 1
1 170 . 3 1 1 A 16 16 PHE C C 14 175.247 175.612 -0.365 1
1 171 . 3 1 1 A 16 16 PHE CA C 14 55.559 56.116 -0.557 1
1 172 . 3 1 1 A 16 16 PHE CB C 14 41.220 42.650 -1.430 1
1 176 . 3 1 1 A 16 16 PHE N N 14 119.656 118.754 0.902 1
1 177 . 3 1 1 A 17 17 GLU H H 15 8.904 9.596 -0.692 1
1 178 . 3 1 1 A 17 17 GLU HA H 15 4.525 4.602 -0.077 1
1 183 . 3 1 1 A 17 17 GLU C C 15 176.747 176.649 0.098 1
1 184 . 3 1 1 A 17 17 GLU CA C 15 56.012 57.038 -1.026 1
1 185 . 3 1 1 A 17 17 GLU CB C 15 30.894 30.012 0.882 1
1 187 . 3 1 1 A 17 17 GLU N N 15 122.929 123.673 -0.744 1
1 188 . 3 1 1 A 18 18 SER H H 16 8.752 8.833 -0.081 1
1 189 . 3 1 1 A 18 18 SER HA H 16 4.708 4.595 0.113 1
1 192 . 3 1 1 A 18 18 SER C C 16 174.278 173.627 0.651 1
1 193 . 3 1 1 A 18 18 SER CA C 16 59.799 59.163 0.636 1
1 194 . 3 1 1 A 18 18 SER CB C 16 64.023 64.037 -0.014 1
1 195 . 3 1 1 A 18 18 SER N N 16 119.679 120.119 -0.440 1
1 196 . 3 1 1 A 19 19 HIS H H 17 9.044 7.664 1.380 1
1 197 . 3 1 1 A 19 19 HIS HA H 17 4.873 5.241 -0.368 1
1 202 . 3 1 1 A 19 19 HIS C C 17 174.580 173.949 0.631 1
1 203 . 3 1 1 A 19 19 HIS CA C 17 56.240 54.576 1.664 1
1 204 . 3 1 1 A 19 19 HIS CB C 17 28.272 31.141 -2.869 1
1 207 . 3 1 1 A 19 19 HIS N N 17 120.269 118.482 1.787 1
1 208 . 3 1 1 A 20 20 VAL H H 18 7.212 9.272 -2.060 1
1 209 . 3 1 1 A 20 20 VAL HA H 18 4.226 4.738 -0.512 1
1 217 . 3 1 1 A 20 20 VAL C C 18 174.138 174.120 0.018 1
1 218 . 3 1 1 A 20 20 VAL CA C 18 61.605 60.422 1.183 1
1 219 . 3 1 1 A 20 20 VAL CB C 18 34.102 36.009 -1.907 1
1 221 . 3 1 1 A 20 20 VAL N N 18 119.528 123.769 -4.241 1
1 222 . 3 1 1 A 21 21 ALA H H 19 8.553 8.662 -0.109 1
1 223 . 3 1 1 A 21 21 ALA HA H 19 4.340 4.482 -0.142 1
1 227 . 3 1 1 A 21 21 ALA C C 19 177.514 177.573 -0.059 1
1 228 . 3 1 1 A 21 21 ALA CA C 19 50.666 50.269 0.397 1
1 229 . 3 1 1 A 21 21 ALA CB C 19 19.660 20.608 -0.948 1
1 230 . 3 1 1 A 21 21 ALA N N 19 131.180 128.475 2.705 1
1 231 . 3 1 1 A 22 22 ARG H H 20 7.726 8.179 -0.453 1
1 232 . 3 1 1 A 22 22 ARG HA H 20 2.590 3.075 -0.485 1
1 239 . 3 1 1 A 22 22 ARG C C 20 178.531 177.155 1.376 1
1 240 . 3 1 1 A 22 22 ARG CA C 20 59.155 58.665 0.490 1
1 241 . 3 1 1 A 22 22 ARG CB C 20 29.167 29.366 -0.199 1
1 244 . 3 1 1 A 22 22 ARG N N 20 124.436 123.221 1.215 1
1 245 . 3 1 1 A 23 23 ALA H H 21 8.150 7.553 0.597 1
1 246 . 3 1 1 A 23 23 ALA HA H 21 4.019 4.165 -0.146 1
1 250 . 3 1 1 A 23 23 ALA C C 21 177.743 177.916 -0.173 1
1 251 . 3 1 1 A 23 23 ALA CA C 21 53.809 53.213 0.596 1
1 252 . 3 1 1 A 23 23 ALA CB C 21 18.688 18.676 0.012 1
1 253 . 3 1 1 A 23 23 ALA N N 21 117.354 120.557 -3.203 1
1 254 . 3 1 1 A 24 24 ASN H H 22 7.706 8.225 -0.519 1
1 255 . 3 1 1 A 24 24 ASN HA H 22 4.906 4.748 0.158 1
1 260 . 3 1 1 A 24 24 ASN C C 22 174.889 174.919 -0.030 1
1 261 . 3 1 1 A 24 24 ASN CA C 22 52.590 53.002 -0.412 1
1 262 . 3 1 1 A 24 24 ASN CB C 22 40.335 38.448 1.887 1
1 263 . 3 1 1 A 24 24 ASN N N 22 112.797 113.659 -0.862 1
1 265 . 3 1 1 A 25 25 VAL H H 23 7.457 6.864 0.593 1
1 266 . 3 1 1 A 25 25 VAL HA H 23 4.326 4.353 -0.027 1
1 274 . 3 1 1 A 25 25 VAL C C 23 174.594 175.958 -1.364 1
1 275 . 3 1 1 A 25 25 VAL CA C 23 62.406 60.710 1.696 1
1 276 . 3 1 1 A 25 25 VAL CB C 23 33.445 33.380 0.065 1
1 278 . 3 1 1 A 25 25 VAL N N 23 118.772 118.522 0.250 1
1 279 . 3 1 1 A 26 26 LYS H H 24 9.261 9.231 0.030 1
1 280 . 3 1 1 A 26 26 LYS HA H 24 4.406 4.538 -0.132 1
1 289 . 3 1 1 A 26 26 LYS C C 24 175.247 176.448 -1.201 1
1 290 . 3 1 1 A 26 26 LYS CA C 24 56.483 57.074 -0.591 1
1 291 . 3 1 1 A 26 26 LYS CB C 24 35.023 33.721 1.302 1
1 295 . 3 1 1 A 26 26 LYS N N 24 125.197 123.885 1.312 1
1 296 . 3 1 1 A 27 27 HIS H H 25 7.811 7.231 0.580 1
1 297 . 3 1 1 A 27 27 HIS HA H 25 4.627 4.943 -0.316 1
1 302 . 3 1 1 A 27 27 HIS C C 25 173.157 172.799 0.358 1
1 303 . 3 1 1 A 27 27 HIS CA C 25 55.463 55.374 0.089 1
1 304 . 3 1 1 A 27 27 HIS CB C 25 31.832 32.815 -0.983 1
1 307 . 3 1 1 A 27 27 HIS N N 25 115.509 117.971 -2.462 1
1 308 . 3 1 1 A 28 28 LEU H H 26 8.311 8.882 -0.571 1
1 309 . 3 1 1 A 28 28 LEU HA H 26 4.991 4.931 0.060 1
1 319 . 3 1 1 A 28 28 LEU C C 26 175.514 175.572 -0.058 1
1 320 . 3 1 1 A 28 28 LEU CA C 26 54.662 53.053 1.609 1
1 321 . 3 1 1 A 28 28 LEU CB C 26 45.594 44.999 0.595 1
1 325 . 3 1 1 A 29 29 LYS H H 27 9.003 8.844 0.159 1
1 326 . 3 1 1 A 29 29 LYS HA H 27 4.578 4.689 -0.111 1
1 335 . 3 1 1 A 29 29 LYS C C 27 173.758 174.925 -1.167 1
1 336 . 3 1 1 A 29 29 LYS CA C 27 54.945 55.139 -0.194 1
1 337 . 3 1 1 A 29 29 LYS CB C 27 36.358 35.357 1.001 1
1 341 . 3 1 1 A 29 29 LYS N N 27 122.740 122.070 0.670 1
1 342 . 3 1 1 A 30 30 ILE H H 28 8.526 8.862 -0.336 1
1 343 . 3 1 1 A 30 30 ILE HA H 28 4.623 4.644 -0.021 1
1 353 . 3 1 1 A 30 30 ILE C C 28 175.988 174.883 1.105 1
1 354 . 3 1 1 A 30 30 ILE CA C 28 60.122 61.023 -0.901 1
1 355 . 3 1 1 A 30 30 ILE CB C 28 38.795 38.424 0.371 1
1 359 . 3 1 1 A 30 30 ILE N N 28 123.517 127.918 -4.401 1
1 360 . 3 1 1 A 31 31 LEU H H 29 8.910 9.698 -0.788 1
1 361 . 3 1 1 A 31 31 LEU HA H 29 4.553 5.076 -0.523 1
1 371 . 3 1 1 A 31 31 LEU C C 29 176.005 175.310 0.695 1
1 372 . 3 1 1 A 31 31 LEU CA C 29 53.975 53.483 0.492 1
1 373 . 3 1 1 A 31 31 LEU CB C 29 43.485 44.770 -1.285 1
1 376 . 3 1 1 A 31 31 LEU N N 29 128.881 129.798 -0.917 1
1 377 . 3 1 1 A 32 32 ASN H H 30 8.710 8.944 -0.234 1
1 378 . 3 1 1 A 32 32 ASN HA H 30 4.954 5.448 -0.494 1
1 383 . 3 1 1 A 32 32 ASN C C 30 174.462 174.499 -0.037 1
1 384 . 3 1 1 A 32 32 ASN CA C 30 52.413 51.707 0.706 1
1 385 . 3 1 1 A 32 32 ASN CB C 30 39.232 39.955 -0.723 1
1 386 . 3 1 1 A 32 32 ASN N N 30 124.019 124.783 -0.764 1
1 388 . 3 1 1 A 33 33 THR H H 31 8.094 8.474 -0.380 1
1 389 . 3 1 1 A 33 33 THR HA H 31 4.628 4.721 -0.093 1
1 394 . 3 1 1 A 33 33 THR CA C 31 59.475 58.858 0.617 1
1 395 . 3 1 1 A 33 33 THR CB C 31 70.459 70.863 -0.404 1
1 397 . 3 1 1 A 33 33 THR N N 31 118.961 116.814 2.147 1
1 398 . 3 1 1 A 34 34 PRO HA H 32 4.206 4.231 -0.025 1
1 405 . 3 1 1 A 34 34 PRO C C 32 176.814 177.372 -0.558 1
1 406 . 3 1 1 A 34 34 PRO CA C 32 64.445 65.258 -0.813 1
1 407 . 3 1 1 A 34 34 PRO CB C 32 32.170 31.867 0.303 1
1 410 . 3 1 1 A 35 35 ASN H H 33 8.504 7.976 0.528 1
1 411 . 3 1 1 A 35 35 ASN HA H 33 4.342 4.836 -0.494 1
1 416 . 3 1 1 A 35 35 ASN C C 33 174.344 175.604 -1.260 1
1 417 . 3 1 1 A 35 35 ASN CA C 33 54.945 52.274 2.671 1
1 418 . 3 1 1 A 35 35 ASN CB C 33 38.122 38.708 -0.586 1
1 419 . 3 1 1 A 35 35 ASN N N 33 113.042 111.391 1.651 1
1 421 . 3 1 1 A 36 36 CYS H H 34 7.526 8.208 -0.682 1
1 422 . 3 1 1 A 36 36 CYS HA H 34 4.878 4.764 0.114 1
1 425 . 3 1 1 A 36 36 CYS C C 34 173.880 173.224 0.656 1
1 426 . 3 1 1 A 36 36 CYS CA C 34 54.622 58.061 -3.439 1
1 427 . 3 1 1 A 36 36 CYS CB C 34 44.780 44.364 0.416 1
1 428 . 3 1 1 A 36 36 CYS N N 34 116.301 117.089 -0.788 1
1 429 . 3 1 1 A 37 37 ALA H H 35 8.395 7.002 1.393 1
1 430 . 3 1 1 A 37 37 ALA HA H 35 4.205 4.407 -0.202 1
1 434 . 3 1 1 A 37 37 ALA C C 35 176.677 174.492 2.185 1
1 435 . 3 1 1 A 37 37 ALA CA C 35 52.413 51.664 0.749 1
1 436 . 3 1 1 A 37 37 ALA CB C 35 18.968 21.872 -2.904 1
1 437 . 3 1 1 A 37 37 ALA N N 35 125.001 118.740 6.261 1
1 438 . 3 1 1 A 38 38 LEU H H 36 8.004 8.429 -0.425 1
1 439 . 3 1 1 A 38 38 LEU HA H 36 4.206 4.952 -0.746 1
1 449 . 3 1 1 A 38 38 LEU C C 36 176.194 174.970 1.224 1
1 450 . 3 1 1 A 38 38 LEU CA C 36 56.563 53.708 2.855 1
1 451 . 3 1 1 A 38 38 LEU CB C 36 42.465 43.866 -1.401 1
1 455 . 3 1 1 A 38 38 LEU N N 36 121.548 120.893 0.655 1
1 456 . 3 1 1 A 39 39 GLN H H 37 8.471 9.218 -0.747 1
1 457 . 3 1 1 A 39 39 GLN HA H 37 4.621 5.099 -0.478 1
1 464 . 3 1 1 A 39 39 GLN C C 37 173.581 174.468 -0.887 1
1 465 . 3 1 1 A 39 39 GLN CA C 37 54.172 54.499 -0.327 1
1 466 . 3 1 1 A 39 39 GLN CB C 37 32.461 31.256 1.205 1
1 468 . 3 1 1 A 39 39 GLN N N 37 123.271 125.512 -2.241 1
1 470 . 3 1 1 A 40 40 ILE H H 38 9.429 8.779 0.650 1
1 471 . 3 1 1 A 40 40 ILE HA H 38 4.718 4.755 -0.037 1
1 481 . 3 1 1 A 40 40 ILE C C 38 174.547 175.511 -0.964 1
1 482 . 3 1 1 A 40 40 ILE CA C 38 60.122 60.301 -0.179 1
1 483 . 3 1 1 A 40 40 ILE CB C 38 38.899 39.842 -0.943 1
1 487 . 3 1 1 A 40 40 ILE N N 38 124.702 124.710 -0.008 1
1 488 . 3 1 1 A 41 41 VAL H H 39 8.872 8.913 -0.041 1
1 489 . 3 1 1 A 41 41 VAL HA H 39 5.027 5.084 -0.057 1
1 497 . 3 1 1 A 41 41 VAL C C 39 174.772 174.844 -0.072 1
1 498 . 3 1 1 A 41 41 VAL CA C 39 60.111 61.009 -0.898 1
1 499 . 3 1 1 A 41 41 VAL CB C 39 34.767 34.038 0.729 1
1 501 . 3 1 1 A 41 41 VAL N N 39 124.441 126.951 -2.510 1
1 502 . 3 1 1 A 42 42 ALA H H 40 9.305 9.181 0.124 1
1 503 . 3 1 1 A 42 42 ALA HA H 40 5.289 5.247 0.042 1
1 507 . 3 1 1 A 42 42 ALA C C 40 175.955 176.001 -0.046 1
1 508 . 3 1 1 A 42 42 ALA CA C 40 50.093 50.822 -0.729 1
1 509 . 3 1 1 A 42 42 ALA CB C 40 24.063 23.070 0.993 1
1 510 . 3 1 1 A 42 42 ALA N N 40 126.567 128.374 -1.807 1
1 511 . 3 1 1 A 43 43 ARG H H 41 8.393 8.579 -0.186 1
1 512 . 3 1 1 A 43 43 ARG HA H 41 5.119 5.371 -0.252 1
1 519 . 3 1 1 A 43 43 ARG C C 41 176.184 175.758 0.426 1
1 520 . 3 1 1 A 43 43 ARG CA C 41 53.900 54.742 -0.842 1
1 521 . 3 1 1 A 43 43 ARG CB C 41 32.306 32.827 -0.521 1
1 524 . 3 1 1 A 43 43 ARG N N 41 118.991 121.525 -2.534 1
1 525 . 3 1 1 A 44 44 LEU H H 42 9.010 8.832 0.178 1
1 526 . 3 1 1 A 44 44 LEU HA H 42 4.934 4.621 0.313 1
1 536 . 3 1 1 A 44 44 LEU C C 42 178.369 178.322 0.047 1
1 537 . 3 1 1 A 44 44 LEU CA C 42 54.329 54.037 0.292 1
1 538 . 3 1 1 A 44 44 LEU CB C 42 41.497 42.209 -0.712 1
1 542 . 3 1 1 A 44 44 LEU N N 42 125.764 124.317 1.447 1
1 543 . 3 1 1 A 45 45 LYS H H 43 8.474 9.038 -0.564 1
1 544 . 3 1 1 A 45 45 LYS HA H 43 3.821 3.958 -0.137 1
1 553 . 3 1 1 A 45 45 LYS CA C 43 59.340 59.680 -0.340 1
1 554 . 3 1 1 A 45 45 LYS CB C 43 33.445 32.169 1.276 1
1 558 . 3 1 1 A 45 45 LYS N N 43 120.489 122.543 -2.054 1
1 559 . 3 1 1 A 46 46 ASN H H 44 8.657 8.088 0.569 1
1 560 . 3 1 1 A 46 46 ASN HA H 44 4.433 4.466 -0.033 1
1 565 . 3 1 1 A 46 46 ASN C C 44 175.970 177.838 -1.868 1
1 566 . 3 1 1 A 46 46 ASN CA C 44 55.457 56.020 -0.563 1
1 567 . 3 1 1 A 46 46 ASN CB C 44 37.507 38.565 -1.058 1
1 569 . 3 1 1 A 47 47 ASN H H 45 7.566 7.889 -0.323 1
1 570 . 3 1 1 A 47 47 ASN HA H 45 4.654 4.752 -0.098 1
1 575 . 3 1 1 A 47 47 ASN C C 45 175.461 175.141 0.320 1
1 576 . 3 1 1 A 47 47 ASN CA C 45 52.769 55.604 -2.835 1
1 577 . 3 1 1 A 47 47 ASN CB C 45 39.203 39.178 0.025 1
1 578 . 3 1 1 A 47 47 ASN N N 45 115.277 117.515 -2.238 1
1 580 . 3 1 1 A 48 48 ASN H H 46 8.008 8.210 -0.202 1
1 581 . 3 1 1 A 48 48 ASN HA H 46 4.649 4.749 -0.100 1
1 586 . 3 1 1 A 48 48 ASN C C 46 174.812 174.120 0.692 1
1 587 . 3 1 1 A 48 48 ASN CA C 46 54.491 54.571 -0.080 1
1 588 . 3 1 1 A 48 48 ASN CB C 46 39.092 38.133 0.959 1
1 589 . 3 1 1 A 48 48 ASN N N 46 116.416 117.594 -1.178 1
1 591 . 3 1 1 A 49 49 ARG H H 47 7.918 7.894 0.024 1
1 592 . 3 1 1 A 49 49 ARG HA H 47 4.206 4.319 -0.113 1
1 599 . 3 1 1 A 49 49 ARG C C 47 175.719 175.243 0.476 1
1 600 . 3 1 1 A 49 49 ARG CA C 47 57.084 56.510 0.574 1
1 601 . 3 1 1 A 49 49 ARG CB C 47 31.785 30.939 0.846 1
1 604 . 3 1 1 A 49 49 ARG N N 47 120.017 120.291 -0.274 1
1 605 . 3 1 1 A 50 50 GLN H H 48 8.617 8.651 -0.034 1
1 606 . 3 1 1 A 50 50 GLN HA H 48 5.212 5.201 0.011 1
1 613 . 3 1 1 A 50 50 GLN C C 48 175.697 175.423 0.274 1
1 614 . 3 1 1 A 50 50 GLN CA C 48 55.454 54.661 0.793 1
1 615 . 3 1 1 A 50 50 GLN CB C 48 30.953 30.528 0.425 1
1 617 . 3 1 1 A 50 50 GLN N N 48 123.029 122.832 0.197 1
1 619 . 3 1 1 A 51 51 VAL H H 49 9.009 9.263 -0.254 1
1 620 . 3 1 1 A 51 51 VAL HA H 49 4.747 4.864 -0.117 1
1 628 . 3 1 1 A 51 51 VAL C C 49 174.561 174.188 0.373 1
1 629 . 3 1 1 A 51 51 VAL CA C 49 59.266 58.723 0.543 1
1 630 . 3 1 1 A 51 51 VAL CB C 49 35.845 35.593 0.252 1
1 633 . 3 1 1 A 51 51 VAL N N 49 119.358 119.339 0.019 1
1 634 . 3 1 1 A 52 52 CYS H H 50 8.850 8.348 0.502 1
1 635 . 3 1 1 A 52 52 CYS HA H 50 5.605 5.695 -0.090 1
1 638 . 3 1 1 A 52 52 CYS C C 50 174.469 172.705 1.764 1
1 639 . 3 1 1 A 52 52 CYS CA C 50 56.377 54.600 1.777 1
1 640 . 3 1 1 A 52 52 CYS CB C 50 44.694 43.503 1.191 1
1 641 . 3 1 1 A 52 52 CYS N N 50 120.834 119.416 1.418 1
1 642 . 3 1 1 A 53 53 ILE H H 51 8.656 9.452 -0.796 1
1 643 . 3 1 1 A 53 53 ILE HA H 51 4.461 4.756 -0.295 1
1 653 . 3 1 1 A 53 53 ILE C C 51 174.137 174.846 -0.709 1
1 654 . 3 1 1 A 53 53 ILE CA C 51 59.671 60.174 -0.503 1
1 655 . 3 1 1 A 53 53 ILE CB C 51 39.603 41.135 -1.532 1
1 659 . 3 1 1 A 53 53 ILE N N 51 122.740 125.264 -2.524 1
1 660 . 3 1 1 A 54 54 ASP H H 52 7.746 7.943 -0.197 1
1 661 . 3 1 1 A 54 54 ASP HA H 52 3.650 4.483 -0.833 1
1 664 . 3 1 1 A 54 54 ASP CA C 52 51.578 51.746 -0.168 1
1 665 . 3 1 1 A 54 54 ASP CB C 52 42.384 42.248 0.136 1
1 666 . 3 1 1 A 54 54 ASP N N 52 126.398 126.568 -0.170 1
1 667 . 3 1 1 A 55 55 PRO HA H 53 3.990 4.314 -0.324 1
1 674 . 3 1 1 A 55 55 PRO C C 53 176.274 177.068 -0.794 1
1 675 . 3 1 1 A 55 55 PRO CA C 53 63.546 64.381 -0.835 1
1 676 . 3 1 1 A 55 55 PRO CB C 53 32.272 31.798 0.474 1
1 679 . 3 1 1 A 56 56 LYS H H 54 8.054 8.274 -0.220 1
1 680 . 3 1 1 A 56 56 LYS HA H 54 3.954 4.237 -0.283 1
1 689 . 3 1 1 A 56 56 LYS C C 54 177.867 176.691 1.176 1
1 690 . 3 1 1 A 56 56 LYS CA C 54 56.189 56.407 -0.218 1
1 691 . 3 1 1 A 56 56 LYS CB C 54 31.680 32.023 -0.343 1
1 695 . 3 1 1 A 56 56 LYS N N 54 115.161 115.451 -0.290 1
1 696 . 3 1 1 A 57 57 LEU H H 55 7.172 6.856 0.316 1
1 697 . 3 1 1 A 57 57 LEU HA H 55 4.021 4.119 -0.098 1
1 707 . 3 1 1 A 57 57 LEU C C 55 179.221 177.523 1.698 1
1 708 . 3 1 1 A 57 57 LEU CA C 55 55.781 55.262 0.519 1
1 709 . 3 1 1 A 57 57 LEU CB C 55 41.739 41.688 0.051 1
1 713 . 3 1 1 A 57 57 LEU N N 55 120.921 123.503 -2.582 1
1 714 . 3 1 1 A 58 58 LYS H H 56 8.753 8.761 -0.008 1
1 715 . 3 1 1 A 58 58 LYS HA H 56 3.898 3.997 -0.099 1
1 724 . 3 1 1 A 58 58 LYS C C 56 179.161 178.407 0.754 1
1 725 . 3 1 1 A 58 58 LYS CA C 56 60.318 59.325 0.993 1
1 726 . 3 1 1 A 58 58 LYS CB C 56 32.100 32.227 -0.127 1
1 730 . 3 1 1 A 58 58 LYS N N 56 125.449 124.858 0.591 1
1 731 . 3 1 1 A 59 59 TRP H H 57 7.889 8.198 -0.309 1
1 732 . 3 1 1 A 59 59 TRP HA H 57 4.612 4.601 0.011 1
1 741 . 3 1 1 A 59 59 TRP C C 57 178.642 178.995 -0.353 1
1 742 . 3 1 1 A 59 59 TRP CA C 57 58.388 59.303 -0.915 1
1 743 . 3 1 1 A 59 59 TRP CB C 57 27.954 27.983 -0.029 1
1 749 . 3 1 1 A 59 59 TRP N N 57 113.858 119.268 -5.410 1
1 751 . 3 1 1 A 60 60 ILE H H 58 6.296 7.478 -1.182 1
1 752 . 3 1 1 A 60 60 ILE HA H 58 3.627 3.403 0.224 1
1 762 . 3 1 1 A 60 60 ILE C C 58 177.104 177.667 -0.563 1
1 763 . 3 1 1 A 60 60 ILE CA C 58 61.605 64.165 -2.560 1
1 764 . 3 1 1 A 60 60 ILE CB C 58 36.043 36.296 -0.253 1
1 768 . 3 1 1 A 60 60 ILE N N 58 123.265 121.775 1.490 1
1 769 . 3 1 1 A 61 61 GLN H H 59 7.650 8.518 -0.868 1
1 770 . 3 1 1 A 61 61 GLN HA H 59 3.811 3.876 -0.065 1
1 777 . 3 1 1 A 61 61 GLN C C 59 178.933 179.077 -0.144 1
1 778 . 3 1 1 A 61 61 GLN CA C 59 59.663 59.262 0.401 1
1 779 . 3 1 1 A 61 61 GLN CB C 59 27.972 28.483 -0.511 1
1 781 . 3 1 1 A 61 61 GLN N N 59 120.850 119.181 1.669 1
1 783 . 3 1 1 A 62 62 GLU H H 60 8.057 8.249 -0.192 1
1 784 . 3 1 1 A 62 62 GLU HA H 60 4.081 4.096 -0.015 1
1 789 . 3 1 1 A 62 62 GLU C C 60 178.539 178.550 -0.011 1
1 790 . 3 1 1 A 62 62 GLU CA C 60 59.152 59.280 -0.128 1
1 791 . 3 1 1 A 62 62 GLU CB C 60 29.896 29.187 0.709 1
1 793 . 3 1 1 A 62 62 GLU N N 60 117.976 118.589 -0.613 1
1 794 . 3 1 1 A 63 63 TYR H H 61 8.004 7.936 0.068 1
1 795 . 3 1 1 A 63 63 TYR HA H 61 4.216 4.239 -0.023 1
1 802 . 3 1 1 A 63 63 TYR C C 61 178.157 176.904 1.253 1
1 803 . 3 1 1 A 63 63 TYR CA C 61 61.281 61.572 -0.291 1
1 804 . 3 1 1 A 63 63 TYR CB C 61 38.956 38.686 0.270 1
1 807 . 3 1 1 A 63 63 TYR N N 61 120.743 122.108 -1.365 1
1 808 . 3 1 1 A 64 64 LEU H H 62 8.460 8.319 0.141 1
1 809 . 3 1 1 A 64 64 LEU HA H 62 3.850 3.593 0.257 1
1 819 . 3 1 1 A 64 64 LEU C C 62 178.678 178.933 -0.255 1
1 820 . 3 1 1 A 64 64 LEU CA C 62 57.619 57.596 0.023 1
1 821 . 3 1 1 A 64 64 LEU CB C 62 41.868 41.157 0.711 1
1 825 . 3 1 1 A 64 64 LEU N N 62 119.052 118.974 0.078 1
1 826 . 3 1 1 A 65 65 GLU H H 63 7.850 8.767 -0.917 1
1 827 . 3 1 1 A 65 65 GLU HA H 63 3.974 3.882 0.092 1
1 832 . 3 1 1 A 65 65 GLU C C 63 178.447 179.122 -0.675 1
1 833 . 3 1 1 A 65 65 GLU CA C 63 59.143 59.858 -0.715 1
1 834 . 3 1 1 A 65 65 GLU CB C 63 29.721 29.460 0.261 1
1 836 . 3 1 1 A 65 65 GLU N N 63 118.310 118.190 0.120 1
1 837 . 3 1 1 A 66 66 LYS H H 64 7.648 8.241 -0.593 1
1 838 . 3 1 1 A 66 66 LYS HA H 64 4.156 3.992 0.164 1
1 847 . 3 1 1 A 66 66 LYS C C 64 177.941 178.721 -0.780 1
1 848 . 3 1 1 A 66 66 LYS CA C 64 57.820 59.400 -1.580 1
1 849 . 3 1 1 A 66 66 LYS CB C 64 32.620 32.424 0.196 1
1 853 . 3 1 1 A 66 66 LYS N N 64 117.638 120.897 -3.259 1
1 854 . 3 1 1 A 67 67 ALA H H 65 8.004 7.905 0.099 1
1 855 . 3 1 1 A 67 67 ALA HA H 65 4.068 3.993 0.075 1
1 859 . 3 1 1 A 67 67 ALA C C 65 178.624 180.414 -1.790 1
1 860 . 3 1 1 A 67 67 ALA CA C 65 53.790 54.682 -0.892 1
1 861 . 3 1 1 A 67 67 ALA CB C 65 19.082 18.202 0.880 1
1 862 . 3 1 1 A 67 67 ALA N N 65 121.228 120.481 0.747 1
1 863 . 3 1 1 A 68 68 LEU H H 66 7.791 8.480 -0.689 1
1 864 . 3 1 1 A 68 68 LEU HA H 66 4.274 4.007 0.267 1
1 874 . 3 1 1 A 68 68 LEU CA C 66 55.593 57.664 -2.071 1
1 875 . 3 1 1 A 68 68 LEU CB C 66 42.329 41.513 0.816 1
1 878 . 3 1 1 A 68 68 LEU N N 66 116.882 120.205 -3.323 1
1 879 . 3 1 1 A 69 69 ASN H H 67 7.914 8.176 -0.262 1
1 880 . 3 1 1 A 69 69 ASN HA H 67 4.803 4.485 0.318 1
1 885 . 3 1 1 A 69 69 ASN C C 67 174.039 177.984 -3.945 1
1 886 . 3 1 1 A 69 69 ASN CA C 67 53.434 56.021 -2.587 1
1 887 . 3 1 1 A 69 69 ASN CB C 67 39.601 38.090 1.511 1
1 888 . 3 1 1 A 69 69 ASN N N 67 118.309 118.486 -0.177 1
1 18 . 4 1 1 A 4 4 PRO HA H 2 4.416 4.619 -0.203 1
1 25 . 4 1 1 A 4 4 PRO C C 2 176.996 177.331 -0.335 1
1 26 . 4 1 1 A 4 4 PRO CA C 2 63.494 62.616 0.878 1
1 27 . 4 1 1 A 4 4 PRO CB C 2 32.161 31.777 0.384 1
1 30 . 4 1 1 A 5 5 VAL H H 3 8.227 8.507 -0.280 1
1 31 . 4 1 1 A 5 5 VAL HA H 3 4.058 4.024 0.034 1
1 39 . 4 1 1 A 5 5 VAL C C 3 176.376 176.238 0.138 1
1 40 . 4 1 1 A 5 5 VAL CA C 3 62.495 63.052 -0.557 1
1 41 . 4 1 1 A 5 5 VAL CB C 3 32.808 31.732 1.076 1
1 43 . 4 1 1 A 5 5 VAL N N 3 121.008 123.375 -2.367 1
1 44 . 4 1 1 A 6 6 SER H H 4 8.270 7.757 0.513 1
1 45 . 4 1 1 A 6 6 SER HA H 4 4.409 4.526 -0.117 1
1 48 . 4 1 1 A 6 6 SER C C 4 174.577 174.350 0.227 1
1 49 . 4 1 1 A 6 6 SER CA C 4 58.148 58.204 -0.056 1
1 50 . 4 1 1 A 6 6 SER CB C 4 63.870 63.000 0.870 1
1 51 . 4 1 1 A 6 6 SER N N 4 119.573 114.779 4.794 1
1 52 . 4 1 1 A 7 7 LEU H H 5 8.273 7.617 0.656 1
1 53 . 4 1 1 A 7 7 LEU HA H 5 4.320 4.166 0.154 1
1 63 . 4 1 1 A 7 7 LEU C C 5 177.341 176.669 0.672 1
1 64 . 4 1 1 A 7 7 LEU CA C 5 55.388 55.346 0.042 1
1 65 . 4 1 1 A 7 7 LEU CB C 5 42.650 43.235 -0.585 1
1 68 . 4 1 1 A 7 7 LEU N N 5 125.039 124.471 0.568 1
1 69 . 4 1 1 A 8 8 SER H H 6 8.127 8.448 -0.321 1
1 70 . 4 1 1 A 8 8 SER HA H 6 4.335 4.531 -0.196 1
1 73 . 4 1 1 A 8 8 SER C C 6 174.189 173.768 0.421 1
1 74 . 4 1 1 A 8 8 SER CA C 6 58.433 59.436 -1.003 1
1 75 . 4 1 1 A 8 8 SER CB C 6 63.870 63.088 0.782 1
1 76 . 4 1 1 A 8 8 SER N N 6 116.154 120.625 -4.471 1
1 77 . 4 1 1 A 9 9 TYR H H 7 7.971 9.144 -1.173 1
1 78 . 4 1 1 A 9 9 TYR HA H 7 4.502 5.157 -0.655 1
1 85 . 4 1 1 A 9 9 TYR C C 7 175.520 175.564 -0.044 1
1 86 . 4 1 1 A 9 9 TYR CA C 7 58.008 56.292 1.716 1
1 87 . 4 1 1 A 9 9 TYR CB C 7 38.956 41.039 -2.083 1
1 90 . 4 1 1 A 9 9 TYR N N 7 122.213 125.234 -3.021 1
1 91 . 4 1 1 A 10 10 ARG H H 8 8.118 8.746 -0.628 1
1 92 . 4 1 1 A 10 10 ARG HA H 8 4.253 4.595 -0.342 1
1 99 . 4 1 1 A 10 10 ARG C C 8 175.918 175.509 0.409 1
1 100 . 4 1 1 A 10 10 ARG CA C 8 56.104 56.078 0.026 1
1 101 . 4 1 1 A 10 10 ARG CB C 8 30.875 32.077 -1.202 1
1 104 . 4 1 1 A 10 10 ARG N N 8 122.182 119.284 2.898 1
1 105 . 4 1 1 A 11 11 CYS H H 9 8.097 7.821 0.276 1
1 106 . 4 1 1 A 11 11 CYS HA H 9 4.909 4.929 -0.020 1
1 109 . 4 1 1 A 11 11 CYS C C 9 173.615 173.760 -0.145 1
1 110 . 4 1 1 A 11 11 CYS CA C 9 53.127 54.325 -1.198 1
1 111 . 4 1 1 A 11 11 CYS CB C 9 40.218 43.786 -3.568 1
1 112 . 4 1 1 A 11 11 CYS N N 9 121.280 118.402 2.878 1
1 113 . 4 1 1 A 12 12 PRO HA H 10 4.275 4.267 0.008 1
1 120 . 4 1 1 A 12 12 PRO C C 10 177.703 176.553 1.150 1
1 121 . 4 1 1 A 12 12 PRO CA C 10 64.859 65.095 -0.236 1
1 122 . 4 1 1 A 12 12 PRO CB C 10 32.508 31.407 1.101 1
1 125 . 4 1 1 A 13 13 CYS H H 11 8.248 7.712 0.536 1
1 126 . 4 1 1 A 13 13 CYS HA H 11 4.827 4.622 0.205 1
1 129 . 4 1 1 A 13 13 CYS C C 11 174.202 173.189 1.013 1
1 130 . 4 1 1 A 13 13 CYS CA C 11 53.429 55.061 -1.632 1
1 131 . 4 1 1 A 13 13 CYS CB C 11 39.603 43.238 -3.635 1
1 132 . 4 1 1 A 13 13 CYS N N 11 114.161 115.352 -1.191 1
1 133 . 4 1 1 A 14 14 ARG HA H 12 3.984 4.194 -0.210 1
1 140 . 4 1 1 A 14 14 ARG C C 12 175.202 175.909 -0.707 1
1 141 . 4 1 1 A 14 14 ARG CA C 12 57.293 57.717 -0.424 1
1 142 . 4 1 1 A 14 14 ARG CB C 12 31.098 31.336 -0.238 1
1 145 . 4 1 1 A 15 15 PHE H H 13 7.524 7.733 -0.209 1
1 146 . 4 1 1 A 15 15 PHE HA H 13 4.488 5.051 -0.563 1
1 154 . 4 1 1 A 15 15 PHE C C 13 174.226 174.177 0.049 1
1 155 . 4 1 1 A 15 15 PHE CA C 13 55.971 55.005 0.966 1
1 156 . 4 1 1 A 15 15 PHE CB C 13 41.059 42.395 -1.336 1
1 160 . 4 1 1 A 15 15 PHE N N 13 116.175 113.990 2.185 1
1 161 . 4 1 1 A 16 16 PHE H H 14 8.309 9.198 -0.889 1
1 162 . 4 1 1 A 16 16 PHE HA H 14 4.794 4.987 -0.193 1
1 170 . 4 1 1 A 16 16 PHE C C 14 175.247 174.564 0.683 1
1 171 . 4 1 1 A 16 16 PHE CA C 14 55.559 56.181 -0.622 1
1 172 . 4 1 1 A 16 16 PHE CB C 14 41.220 43.431 -2.211 1
1 176 . 4 1 1 A 16 16 PHE N N 14 119.656 117.963 1.693 1
1 177 . 4 1 1 A 17 17 GLU H H 15 8.904 9.819 -0.915 1
1 178 . 4 1 1 A 17 17 GLU HA H 15 4.525 4.805 -0.280 1
1 183 . 4 1 1 A 17 17 GLU C C 15 176.747 177.138 -0.391 1
1 184 . 4 1 1 A 17 17 GLU CA C 15 56.012 55.928 0.084 1
1 185 . 4 1 1 A 17 17 GLU CB C 15 30.894 31.415 -0.521 1
1 187 . 4 1 1 A 17 17 GLU N N 15 122.929 124.189 -1.260 1
1 188 . 4 1 1 A 18 18 SER H H 16 8.752 8.681 0.071 1
1 189 . 4 1 1 A 18 18 SER HA H 16 4.708 4.744 -0.036 1
1 192 . 4 1 1 A 18 18 SER C C 16 174.278 174.764 -0.486 1
1 193 . 4 1 1 A 18 18 SER CA C 16 59.799 58.510 1.289 1
1 194 . 4 1 1 A 18 18 SER CB C 16 64.023 64.624 -0.601 1
1 195 . 4 1 1 A 18 18 SER N N 16 119.679 119.301 0.378 1
1 196 . 4 1 1 A 19 19 HIS H H 17 9.044 8.286 0.758 1
1 197 . 4 1 1 A 19 19 HIS HA H 17 4.873 4.673 0.200 1
1 202 . 4 1 1 A 19 19 HIS C C 17 174.580 175.628 -1.048 1
1 203 . 4 1 1 A 19 19 HIS CA C 17 56.240 56.333 -0.093 1
1 204 . 4 1 1 A 19 19 HIS CB C 17 28.272 29.530 -1.258 1
1 207 . 4 1 1 A 19 19 HIS N N 17 120.269 121.586 -1.317 1
1 208 . 4 1 1 A 20 20 VAL H H 18 7.212 7.521 -0.309 1
1 209 . 4 1 1 A 20 20 VAL HA H 18 4.226 3.900 0.326 1
1 217 . 4 1 1 A 20 20 VAL C C 18 174.138 175.217 -1.079 1
1 218 . 4 1 1 A 20 20 VAL CA C 18 61.605 62.638 -1.033 1
1 219 . 4 1 1 A 20 20 VAL CB C 18 34.102 32.560 1.542 1
1 221 . 4 1 1 A 20 20 VAL N N 18 119.528 120.008 -0.480 1
1 222 . 4 1 1 A 21 21 ALA H H 19 8.553 8.075 0.478 1
1 223 . 4 1 1 A 21 21 ALA HA H 19 4.340 4.447 -0.107 1
1 227 . 4 1 1 A 21 21 ALA C C 19 177.514 177.443 0.071 1
1 228 . 4 1 1 A 21 21 ALA CA C 19 50.666 50.310 0.356 1
1 229 . 4 1 1 A 21 21 ALA CB C 19 19.660 20.585 -0.925 1
1 230 . 4 1 1 A 21 21 ALA N N 19 131.180 129.227 1.953 1
1 231 . 4 1 1 A 22 22 ARG H H 20 7.726 8.137 -0.411 1
1 232 . 4 1 1 A 22 22 ARG HA H 20 2.590 2.934 -0.344 1
1 239 . 4 1 1 A 22 22 ARG C C 20 178.531 177.232 1.299 1
1 240 . 4 1 1 A 22 22 ARG CA C 20 59.155 58.730 0.425 1
1 241 . 4 1 1 A 22 22 ARG CB C 20 29.167 29.366 -0.199 1
1 244 . 4 1 1 A 22 22 ARG N N 20 124.436 123.411 1.025 1
1 245 . 4 1 1 A 23 23 ALA H H 21 8.150 7.567 0.583 1
1 246 . 4 1 1 A 23 23 ALA HA H 21 4.019 4.108 -0.089 1
1 250 . 4 1 1 A 23 23 ALA C C 21 177.743 178.796 -1.053 1
1 251 . 4 1 1 A 23 23 ALA CA C 21 53.809 53.192 0.617 1
1 252 . 4 1 1 A 23 23 ALA CB C 21 18.688 18.610 0.078 1
1 253 . 4 1 1 A 23 23 ALA N N 21 117.354 120.255 -2.901 1
1 254 . 4 1 1 A 24 24 ASN H H 22 7.706 7.682 0.024 1
1 255 . 4 1 1 A 24 24 ASN HA H 22 4.906 4.611 0.295 1
1 260 . 4 1 1 A 24 24 ASN C C 22 174.889 175.005 -0.116 1
1 261 . 4 1 1 A 24 24 ASN CA C 22 52.590 54.898 -2.308 1
1 262 . 4 1 1 A 24 24 ASN CB C 22 40.335 39.470 0.865 1
1 263 . 4 1 1 A 24 24 ASN N N 22 112.797 115.676 -2.879 1
1 265 . 4 1 1 A 25 25 VAL H H 23 7.457 6.978 0.479 1
1 266 . 4 1 1 A 25 25 VAL HA H 23 4.326 4.228 0.098 1
1 274 . 4 1 1 A 25 25 VAL C C 23 174.594 175.354 -0.760 1
1 275 . 4 1 1 A 25 25 VAL CA C 23 62.406 61.541 0.865 1
1 276 . 4 1 1 A 25 25 VAL CB C 23 33.445 32.641 0.804 1
1 278 . 4 1 1 A 25 25 VAL N N 23 118.772 116.651 2.121 1
1 279 . 4 1 1 A 26 26 LYS H H 24 9.261 9.353 -0.092 1
1 280 . 4 1 1 A 26 26 LYS HA H 24 4.406 4.457 -0.051 1
1 289 . 4 1 1 A 26 26 LYS C C 24 175.247 176.401 -1.154 1
1 290 . 4 1 1 A 26 26 LYS CA C 24 56.483 57.182 -0.699 1
1 291 . 4 1 1 A 26 26 LYS CB C 24 35.023 33.653 1.370 1
1 295 . 4 1 1 A 26 26 LYS N N 24 125.197 121.896 3.301 1
1 296 . 4 1 1 A 27 27 HIS H H 25 7.811 7.036 0.775 1
1 297 . 4 1 1 A 27 27 HIS HA H 25 4.627 4.939 -0.312 1
1 302 . 4 1 1 A 27 27 HIS C C 25 173.157 172.890 0.267 1
1 303 . 4 1 1 A 27 27 HIS CA C 25 55.463 55.898 -0.435 1
1 304 . 4 1 1 A 27 27 HIS CB C 25 31.832 32.917 -1.085 1
1 307 . 4 1 1 A 27 27 HIS N N 25 115.509 118.188 -2.679 1
1 308 . 4 1 1 A 28 28 LEU H H 26 8.311 8.921 -0.610 1
1 309 . 4 1 1 A 28 28 LEU HA H 26 4.991 4.876 0.115 1
1 319 . 4 1 1 A 28 28 LEU C C 26 175.514 175.545 -0.031 1
1 320 . 4 1 1 A 28 28 LEU CA C 26 54.662 53.303 1.359 1
1 321 . 4 1 1 A 28 28 LEU CB C 26 45.594 43.718 1.876 1
1 325 . 4 1 1 A 29 29 LYS H H 27 9.003 9.128 -0.125 1
1 326 . 4 1 1 A 29 29 LYS HA H 27 4.578 4.781 -0.203 1
1 335 . 4 1 1 A 29 29 LYS C C 27 173.758 174.714 -0.956 1
1 336 . 4 1 1 A 29 29 LYS CA C 27 54.945 54.899 0.046 1
1 337 . 4 1 1 A 29 29 LYS CB C 27 36.358 35.389 0.969 1
1 341 . 4 1 1 A 29 29 LYS N N 27 122.740 124.033 -1.293 1
1 342 . 4 1 1 A 30 30 ILE H H 28 8.526 8.984 -0.458 1
1 343 . 4 1 1 A 30 30 ILE HA H 28 4.623 4.725 -0.102 1
1 353 . 4 1 1 A 30 30 ILE C C 28 175.988 174.604 1.384 1
1 354 . 4 1 1 A 30 30 ILE CA C 28 60.122 60.312 -0.190 1
1 355 . 4 1 1 A 30 30 ILE CB C 28 38.795 38.441 0.354 1
1 359 . 4 1 1 A 30 30 ILE N N 28 123.517 127.903 -4.386 1
1 360 . 4 1 1 A 31 31 LEU H H 29 8.910 9.708 -0.798 1
1 361 . 4 1 1 A 31 31 LEU HA H 29 4.553 5.048 -0.495 1
1 371 . 4 1 1 A 31 31 LEU C C 29 176.005 175.428 0.577 1
1 372 . 4 1 1 A 31 31 LEU CA C 29 53.975 53.676 0.299 1
1 373 . 4 1 1 A 31 31 LEU CB C 29 43.485 44.631 -1.146 1
1 376 . 4 1 1 A 31 31 LEU N N 29 128.881 130.054 -1.173 1
1 377 . 4 1 1 A 32 32 ASN H H 30 8.710 8.965 -0.255 1
1 378 . 4 1 1 A 32 32 ASN HA H 30 4.954 5.243 -0.289 1
1 383 . 4 1 1 A 32 32 ASN C C 30 174.462 174.539 -0.077 1
1 384 . 4 1 1 A 32 32 ASN CA C 30 52.413 51.825 0.588 1
1 385 . 4 1 1 A 32 32 ASN CB C 30 39.232 39.418 -0.186 1
1 386 . 4 1 1 A 32 32 ASN N N 30 124.019 124.798 -0.779 1
1 388 . 4 1 1 A 33 33 THR H H 31 8.094 9.186 -1.092 1
1 389 . 4 1 1 A 33 33 THR HA H 31 4.628 4.697 -0.069 1
1 394 . 4 1 1 A 33 33 THR CA C 31 59.475 59.241 0.234 1
1 395 . 4 1 1 A 33 33 THR CB C 31 70.459 70.731 -0.272 1
1 397 . 4 1 1 A 33 33 THR N N 31 118.961 118.752 0.209 1
1 398 . 4 1 1 A 34 34 PRO HA H 32 4.206 4.237 -0.031 1
1 405 . 4 1 1 A 34 34 PRO C C 32 176.814 177.260 -0.446 1
1 406 . 4 1 1 A 34 34 PRO CA C 32 64.445 65.491 -1.046 1
1 407 . 4 1 1 A 34 34 PRO CB C 32 32.170 31.961 0.209 1
1 410 . 4 1 1 A 35 35 ASN H H 33 8.504 8.594 -0.090 1
1 411 . 4 1 1 A 35 35 ASN HA H 33 4.342 4.925 -0.583 1
1 416 . 4 1 1 A 35 35 ASN C C 33 174.344 176.301 -1.957 1
1 417 . 4 1 1 A 35 35 ASN CA C 33 54.945 53.902 1.043 1
1 418 . 4 1 1 A 35 35 ASN CB C 33 38.122 39.932 -1.810 1
1 419 . 4 1 1 A 35 35 ASN N N 33 113.042 112.286 0.756 1
1 421 . 4 1 1 A 36 36 CYS H H 34 7.526 7.950 -0.424 1
1 422 . 4 1 1 A 36 36 CYS HA H 34 4.878 4.721 0.157 1
1 425 . 4 1 1 A 36 36 CYS C C 34 173.880 174.005 -0.125 1
1 426 . 4 1 1 A 36 36 CYS CA C 34 54.622 55.885 -1.263 1
1 427 . 4 1 1 A 36 36 CYS CB C 34 44.780 42.679 2.101 1
1 428 . 4 1 1 A 36 36 CYS N N 34 116.301 116.188 0.113 1
1 429 . 4 1 1 A 37 37 ALA H H 35 8.395 7.563 0.832 1
1 430 . 4 1 1 A 37 37 ALA HA H 35 4.205 4.006 0.199 1
1 434 . 4 1 1 A 37 37 ALA C C 35 176.677 177.155 -0.478 1
1 435 . 4 1 1 A 37 37 ALA CA C 35 52.413 54.328 -1.915 1
1 436 . 4 1 1 A 37 37 ALA CB C 35 18.968 17.845 1.123 1
1 437 . 4 1 1 A 37 37 ALA N N 35 125.001 122.469 2.532 1
1 438 . 4 1 1 A 38 38 LEU H H 36 8.004 8.324 -0.320 1
1 439 . 4 1 1 A 38 38 LEU HA H 36 4.206 4.748 -0.542 1
1 449 . 4 1 1 A 38 38 LEU C C 36 176.194 175.958 0.236 1
1 450 . 4 1 1 A 38 38 LEU CA C 36 56.563 53.819 2.744 1
1 451 . 4 1 1 A 38 38 LEU CB C 36 42.465 42.552 -0.087 1
1 455 . 4 1 1 A 38 38 LEU N N 36 121.548 118.762 2.786 1
1 456 . 4 1 1 A 39 39 GLN H H 37 8.471 9.316 -0.845 1
1 457 . 4 1 1 A 39 39 GLN HA H 37 4.621 4.955 -0.334 1
1 464 . 4 1 1 A 39 39 GLN C C 37 173.581 174.438 -0.857 1
1 465 . 4 1 1 A 39 39 GLN CA C 37 54.172 54.654 -0.482 1
1 466 . 4 1 1 A 39 39 GLN CB C 37 32.461 30.870 1.591 1
1 468 . 4 1 1 A 39 39 GLN N N 37 123.271 123.472 -0.201 1
1 470 . 4 1 1 A 40 40 ILE H H 38 9.429 8.511 0.918 1
1 471 . 4 1 1 A 40 40 ILE HA H 38 4.718 4.782 -0.064 1
1 481 . 4 1 1 A 40 40 ILE C C 38 174.547 175.645 -1.098 1
1 482 . 4 1 1 A 40 40 ILE CA C 38 60.122 60.284 -0.162 1
1 483 . 4 1 1 A 40 40 ILE CB C 38 38.899 39.675 -0.776 1
1 487 . 4 1 1 A 40 40 ILE N N 38 124.702 123.792 0.910 1
1 488 . 4 1 1 A 41 41 VAL H H 39 8.872 9.068 -0.196 1
1 489 . 4 1 1 A 41 41 VAL HA H 39 5.027 4.902 0.125 1
1 497 . 4 1 1 A 41 41 VAL C C 39 174.772 174.522 0.250 1
1 498 . 4 1 1 A 41 41 VAL CA C 39 60.111 61.090 -0.979 1
1 499 . 4 1 1 A 41 41 VAL CB C 39 34.767 33.800 0.967 1
1 501 . 4 1 1 A 41 41 VAL N N 39 124.441 127.666 -3.225 1
1 502 . 4 1 1 A 42 42 ALA H H 40 9.305 9.247 0.058 1
1 503 . 4 1 1 A 42 42 ALA HA H 40 5.289 5.445 -0.156 1
1 507 . 4 1 1 A 42 42 ALA C C 40 175.955 175.927 0.028 1
1 508 . 4 1 1 A 42 42 ALA CA C 40 50.093 50.439 -0.346 1
1 509 . 4 1 1 A 42 42 ALA CB C 40 24.063 23.393 0.670 1
1 510 . 4 1 1 A 42 42 ALA N N 40 126.567 128.668 -2.101 1
1 511 . 4 1 1 A 43 43 ARG H H 41 8.393 8.447 -0.054 1
1 512 . 4 1 1 A 43 43 ARG HA H 41 5.119 5.206 -0.087 1
1 519 . 4 1 1 A 43 43 ARG C C 41 176.184 175.802 0.382 1
1 520 . 4 1 1 A 43 43 ARG CA C 41 53.900 54.661 -0.761 1
1 521 . 4 1 1 A 43 43 ARG CB C 41 32.306 33.483 -1.177 1
1 524 . 4 1 1 A 43 43 ARG N N 41 118.991 120.156 -1.165 1
1 525 . 4 1 1 A 44 44 LEU H H 42 9.010 8.733 0.277 1
1 526 . 4 1 1 A 44 44 LEU HA H 42 4.934 4.572 0.362 1
1 536 . 4 1 1 A 44 44 LEU C C 42 178.369 178.243 0.126 1
1 537 . 4 1 1 A 44 44 LEU CA C 42 54.329 54.373 -0.044 1
1 538 . 4 1 1 A 44 44 LEU CB C 42 41.497 42.136 -0.639 1
1 542 . 4 1 1 A 44 44 LEU N N 42 125.764 123.887 1.877 1
1 543 . 4 1 1 A 45 45 LYS H H 43 8.474 9.195 -0.721 1
1 544 . 4 1 1 A 45 45 LYS HA H 43 3.821 3.958 -0.137 1
1 553 . 4 1 1 A 45 45 LYS CA C 43 59.340 59.611 -0.271 1
1 554 . 4 1 1 A 45 45 LYS CB C 43 33.445 32.228 1.217 1
1 558 . 4 1 1 A 45 45 LYS N N 43 120.489 122.602 -2.113 1
1 559 . 4 1 1 A 46 46 ASN H H 44 8.657 8.323 0.334 1
1 560 . 4 1 1 A 46 46 ASN HA H 44 4.433 4.561 -0.128 1
1 565 . 4 1 1 A 46 46 ASN C C 44 175.970 177.513 -1.543 1
1 566 . 4 1 1 A 46 46 ASN CA C 44 55.457 55.743 -0.286 1
1 567 . 4 1 1 A 46 46 ASN CB C 44 37.507 38.476 -0.969 1
1 569 . 4 1 1 A 47 47 ASN H H 45 7.566 7.853 -0.287 1
1 570 . 4 1 1 A 47 47 ASN HA H 45 4.654 4.792 -0.138 1
1 575 . 4 1 1 A 47 47 ASN C C 45 175.461 175.156 0.305 1
1 576 . 4 1 1 A 47 47 ASN CA C 45 52.769 54.771 -2.002 1
1 577 . 4 1 1 A 47 47 ASN CB C 45 39.203 39.083 0.120 1
1 578 . 4 1 1 A 47 47 ASN N N 45 115.277 116.054 -0.777 1
1 580 . 4 1 1 A 48 48 ASN H H 46 8.008 8.205 -0.197 1
1 581 . 4 1 1 A 48 48 ASN HA H 46 4.649 4.810 -0.161 1
1 586 . 4 1 1 A 48 48 ASN C C 46 174.812 174.114 0.698 1
1 587 . 4 1 1 A 48 48 ASN CA C 46 54.491 54.573 -0.082 1
1 588 . 4 1 1 A 48 48 ASN CB C 46 39.092 38.220 0.872 1
1 589 . 4 1 1 A 48 48 ASN N N 46 116.416 117.548 -1.132 1
1 591 . 4 1 1 A 49 49 ARG H H 47 7.918 7.792 0.126 1
1 592 . 4 1 1 A 49 49 ARG HA H 47 4.206 4.325 -0.119 1
1 599 . 4 1 1 A 49 49 ARG C C 47 175.719 175.575 0.144 1
1 600 . 4 1 1 A 49 49 ARG CA C 47 57.084 56.489 0.595 1
1 601 . 4 1 1 A 49 49 ARG CB C 47 31.785 31.415 0.370 1
1 604 . 4 1 1 A 49 49 ARG N N 47 120.017 120.835 -0.818 1
1 605 . 4 1 1 A 50 50 GLN H H 48 8.617 8.726 -0.109 1
1 606 . 4 1 1 A 50 50 GLN HA H 48 5.212 5.058 0.154 1
1 613 . 4 1 1 A 50 50 GLN C C 48 175.697 175.791 -0.094 1
1 614 . 4 1 1 A 50 50 GLN CA C 48 55.454 55.257 0.197 1
1 615 . 4 1 1 A 50 50 GLN CB C 48 30.953 30.188 0.765 1
1 617 . 4 1 1 A 50 50 GLN N N 48 123.029 123.307 -0.278 1
1 619 . 4 1 1 A 51 51 VAL H H 49 9.009 9.158 -0.149 1
1 620 . 4 1 1 A 51 51 VAL HA H 49 4.747 4.899 -0.152 1
1 628 . 4 1 1 A 51 51 VAL C C 49 174.561 174.503 0.058 1
1 629 . 4 1 1 A 51 51 VAL CA C 49 59.266 58.858 0.408 1
1 630 . 4 1 1 A 51 51 VAL CB C 49 35.845 35.444 0.401 1
1 633 . 4 1 1 A 51 51 VAL N N 49 119.358 119.526 -0.168 1
1 634 . 4 1 1 A 52 52 CYS H H 50 8.850 8.365 0.485 1
1 635 . 4 1 1 A 52 52 CYS HA H 50 5.605 5.623 -0.018 1
1 638 . 4 1 1 A 52 52 CYS C C 50 174.469 173.227 1.242 1
1 639 . 4 1 1 A 52 52 CYS CA C 50 56.377 55.398 0.979 1
1 640 . 4 1 1 A 52 52 CYS CB C 50 44.694 43.694 1.000 1
1 641 . 4 1 1 A 52 52 CYS N N 50 120.834 120.048 0.786 1
1 642 . 4 1 1 A 53 53 ILE H H 51 8.656 9.214 -0.558 1
1 643 . 4 1 1 A 53 53 ILE HA H 51 4.461 4.774 -0.313 1
1 653 . 4 1 1 A 53 53 ILE C C 51 174.137 174.986 -0.849 1
1 654 . 4 1 1 A 53 53 ILE CA C 51 59.671 60.085 -0.414 1
1 655 . 4 1 1 A 53 53 ILE CB C 51 39.603 41.716 -2.113 1
1 659 . 4 1 1 A 53 53 ILE N N 51 122.740 124.124 -1.384 1
1 660 . 4 1 1 A 54 54 ASP H H 52 7.746 8.112 -0.366 1
1 661 . 4 1 1 A 54 54 ASP HA H 52 3.650 4.178 -0.528 1
1 664 . 4 1 1 A 54 54 ASP CA C 52 51.578 51.691 -0.113 1
1 665 . 4 1 1 A 54 54 ASP CB C 52 42.384 41.978 0.406 1
1 666 . 4 1 1 A 54 54 ASP N N 52 126.398 126.892 -0.494 1
1 667 . 4 1 1 A 55 55 PRO HA H 53 3.990 4.347 -0.357 1
1 674 . 4 1 1 A 55 55 PRO C C 53 176.274 177.117 -0.843 1
1 675 . 4 1 1 A 55 55 PRO CA C 53 63.546 64.186 -0.640 1
1 676 . 4 1 1 A 55 55 PRO CB C 53 32.272 31.594 0.678 1
1 679 . 4 1 1 A 56 56 LYS H H 54 8.054 8.496 -0.442 1
1 680 . 4 1 1 A 56 56 LYS HA H 54 3.954 4.283 -0.329 1
1 689 . 4 1 1 A 56 56 LYS C C 54 177.867 176.613 1.254 1
1 690 . 4 1 1 A 56 56 LYS CA C 54 56.189 56.116 0.073 1
1 691 . 4 1 1 A 56 56 LYS CB C 54 31.680 32.001 -0.321 1
1 695 . 4 1 1 A 56 56 LYS N N 54 115.161 115.320 -0.159 1
1 696 . 4 1 1 A 57 57 LEU H H 55 7.172 6.724 0.448 1
1 697 . 4 1 1 A 57 57 LEU HA H 55 4.021 4.167 -0.146 1
1 707 . 4 1 1 A 57 57 LEU C C 55 179.221 177.616 1.605 1
1 708 . 4 1 1 A 57 57 LEU CA C 55 55.781 55.282 0.499 1
1 709 . 4 1 1 A 57 57 LEU CB C 55 41.739 41.889 -0.150 1
1 713 . 4 1 1 A 57 57 LEU N N 55 120.921 123.402 -2.481 1
1 714 . 4 1 1 A 58 58 LYS H H 56 8.753 8.913 -0.160 1
1 715 . 4 1 1 A 58 58 LYS HA H 56 3.898 3.872 0.026 1
1 724 . 4 1 1 A 58 58 LYS C C 56 179.161 178.161 1.000 1
1 725 . 4 1 1 A 58 58 LYS CA C 56 60.318 59.742 0.576 1
1 726 . 4 1 1 A 58 58 LYS CB C 56 32.100 32.170 -0.070 1
1 730 . 4 1 1 A 58 58 LYS N N 56 125.449 124.427 1.022 1
1 731 . 4 1 1 A 59 59 TRP H H 57 7.889 8.348 -0.459 1
1 732 . 4 1 1 A 59 59 TRP HA H 57 4.612 4.788 -0.176 1
1 741 . 4 1 1 A 59 59 TRP C C 57 178.642 179.236 -0.594 1
1 742 . 4 1 1 A 59 59 TRP CA C 57 58.388 59.730 -1.342 1
1 743 . 4 1 1 A 59 59 TRP CB C 57 27.954 27.861 0.093 1
1 749 . 4 1 1 A 59 59 TRP N N 57 113.858 119.095 -5.237 1
1 751 . 4 1 1 A 60 60 ILE H H 58 6.296 7.451 -1.155 1
1 752 . 4 1 1 A 60 60 ILE HA H 58 3.627 3.372 0.255 1
1 762 . 4 1 1 A 60 60 ILE C C 58 177.104 177.587 -0.483 1
1 763 . 4 1 1 A 60 60 ILE CA C 58 61.605 64.278 -2.673 1
1 764 . 4 1 1 A 60 60 ILE CB C 58 36.043 36.240 -0.197 1
1 768 . 4 1 1 A 60 60 ILE N N 58 123.265 122.105 1.160 1
1 769 . 4 1 1 A 61 61 GLN H H 59 7.650 8.439 -0.789 1
1 770 . 4 1 1 A 61 61 GLN HA H 59 3.811 3.919 -0.108 1
1 777 . 4 1 1 A 61 61 GLN C C 59 178.933 179.057 -0.124 1
1 778 . 4 1 1 A 61 61 GLN CA C 59 59.663 58.987 0.676 1
1 779 . 4 1 1 A 61 61 GLN CB C 59 27.972 28.124 -0.152 1
1 781 . 4 1 1 A 61 61 GLN N N 59 120.850 118.905 1.945 1
1 783 . 4 1 1 A 62 62 GLU H H 60 8.057 8.122 -0.065 1
1 784 . 4 1 1 A 62 62 GLU HA H 60 4.081 4.075 0.006 1
1 789 . 4 1 1 A 62 62 GLU C C 60 178.539 178.503 0.036 1
1 790 . 4 1 1 A 62 62 GLU CA C 60 59.152 59.280 -0.128 1
1 791 . 4 1 1 A 62 62 GLU CB C 60 29.896 29.592 0.304 1
1 793 . 4 1 1 A 62 62 GLU N N 60 117.976 121.229 -3.253 1
1 794 . 4 1 1 A 63 63 TYR H H 61 8.004 8.345 -0.341 1
1 795 . 4 1 1 A 63 63 TYR HA H 61 4.216 4.196 0.020 1
1 802 . 4 1 1 A 63 63 TYR C C 61 178.157 177.053 1.104 1
1 803 . 4 1 1 A 63 63 TYR CA C 61 61.281 61.389 -0.108 1
1 804 . 4 1 1 A 63 63 TYR CB C 61 38.956 38.654 0.302 1
1 807 . 4 1 1 A 63 63 TYR N N 61 120.743 122.349 -1.606 1
1 808 . 4 1 1 A 64 64 LEU H H 62 8.460 8.793 -0.333 1
1 809 . 4 1 1 A 64 64 LEU HA H 62 3.850 3.555 0.295 1
1 819 . 4 1 1 A 64 64 LEU C C 62 178.678 178.885 -0.207 1
1 820 . 4 1 1 A 64 64 LEU CA C 62 57.619 57.501 0.118 1
1 821 . 4 1 1 A 64 64 LEU CB C 62 41.868 40.963 0.905 1
1 825 . 4 1 1 A 64 64 LEU N N 62 119.052 119.020 0.032 1
1 826 . 4 1 1 A 65 65 GLU H H 63 7.850 8.473 -0.623 1
1 827 . 4 1 1 A 65 65 GLU HA H 63 3.974 3.804 0.170 1
1 832 . 4 1 1 A 65 65 GLU C C 63 178.447 178.520 -0.073 1
1 833 . 4 1 1 A 65 65 GLU CA C 63 59.143 60.041 -0.898 1
1 834 . 4 1 1 A 65 65 GLU CB C 63 29.721 29.343 0.378 1
1 836 . 4 1 1 A 65 65 GLU N N 63 118.310 119.984 -1.674 1
1 837 . 4 1 1 A 66 66 LYS H H 64 7.648 7.951 -0.303 1
1 838 . 4 1 1 A 66 66 LYS HA H 64 4.156 3.984 0.172 1
1 847 . 4 1 1 A 66 66 LYS C C 64 177.941 178.754 -0.813 1
1 848 . 4 1 1 A 66 66 LYS CA C 64 57.820 59.408 -1.588 1
1 849 . 4 1 1 A 66 66 LYS CB C 64 32.620 32.463 0.157 1
1 853 . 4 1 1 A 66 66 LYS N N 64 117.638 119.665 -2.027 1
1 854 . 4 1 1 A 67 67 ALA H H 65 8.004 7.970 0.034 1
1 855 . 4 1 1 A 67 67 ALA HA H 65 4.068 3.954 0.114 1
1 859 . 4 1 1 A 67 67 ALA C C 65 178.624 180.697 -2.073 1
1 860 . 4 1 1 A 67 67 ALA CA C 65 53.790 54.626 -0.836 1
1 861 . 4 1 1 A 67 67 ALA CB C 65 19.082 18.439 0.643 1
1 862 . 4 1 1 A 67 67 ALA N N 65 121.228 120.502 0.726 1
1 863 . 4 1 1 A 68 68 LEU H H 66 7.791 8.443 -0.652 1
1 864 . 4 1 1 A 68 68 LEU HA H 66 4.274 3.983 0.291 1
1 874 . 4 1 1 A 68 68 LEU CA C 66 55.593 57.632 -2.039 1
1 875 . 4 1 1 A 68 68 LEU CB C 66 42.329 41.437 0.892 1
1 878 . 4 1 1 A 68 68 LEU N N 66 116.882 120.174 -3.292 1
1 879 . 4 1 1 A 69 69 ASN H H 67 7.914 8.194 -0.280 1
1 880 . 4 1 1 A 69 69 ASN HA H 67 4.803 4.467 0.336 1
1 885 . 4 1 1 A 69 69 ASN C C 67 174.039 178.248 -4.209 1
1 886 . 4 1 1 A 69 69 ASN CA C 67 53.434 56.027 -2.593 1
1 887 . 4 1 1 A 69 69 ASN CB C 67 39.601 37.985 1.616 1
1 888 . 4 1 1 A 69 69 ASN N N 67 118.309 118.784 -0.475 1
1 18 . 5 1 1 A 4 4 PRO HA H 2 4.416 4.872 -0.456 1
1 25 . 5 1 1 A 4 4 PRO C C 2 176.996 175.813 1.183 1
1 26 . 5 1 1 A 4 4 PRO CA C 2 63.494 62.355 1.139 1
1 27 . 5 1 1 A 4 4 PRO CB C 2 32.161 29.795 2.366 1
1 30 . 5 1 1 A 5 5 VAL H H 3 8.227 8.195 0.032 1
1 31 . 5 1 1 A 5 5 VAL HA H 3 4.058 4.996 -0.938 1
1 39 . 5 1 1 A 5 5 VAL C C 3 176.376 174.623 1.753 1
1 40 . 5 1 1 A 5 5 VAL CA C 3 62.495 60.315 2.180 1
1 41 . 5 1 1 A 5 5 VAL CB C 3 32.808 33.115 -0.307 1
1 43 . 5 1 1 A 5 5 VAL N N 3 121.008 117.289 3.719 1
1 44 . 5 1 1 A 6 6 SER H H 4 8.270 8.887 -0.617 1
1 45 . 5 1 1 A 6 6 SER HA H 4 4.409 4.991 -0.582 1
1 48 . 5 1 1 A 6 6 SER C C 4 174.577 172.029 2.548 1
1 49 . 5 1 1 A 6 6 SER CA C 4 58.148 57.505 0.643 1
1 50 . 5 1 1 A 6 6 SER CB C 4 63.870 66.153 -2.283 1
1 51 . 5 1 1 A 6 6 SER N N 4 119.573 120.242 -0.669 1
1 52 . 5 1 1 A 7 7 LEU H H 5 8.273 8.461 -0.188 1
1 53 . 5 1 1 A 7 7 LEU HA H 5 4.320 4.702 -0.382 1
1 63 . 5 1 1 A 7 7 LEU C C 5 177.341 176.261 1.080 1
1 64 . 5 1 1 A 7 7 LEU CA C 5 55.388 53.429 1.959 1
1 65 . 5 1 1 A 7 7 LEU CB C 5 42.650 44.347 -1.697 1
1 68 . 5 1 1 A 7 7 LEU N N 5 125.039 124.119 0.920 1
1 69 . 5 1 1 A 8 8 SER H H 6 8.127 8.409 -0.282 1
1 70 . 5 1 1 A 8 8 SER HA H 6 4.335 4.298 0.037 1
1 73 . 5 1 1 A 8 8 SER C C 6 174.189 173.911 0.278 1
1 74 . 5 1 1 A 8 8 SER CA C 6 58.433 59.924 -1.491 1
1 75 . 5 1 1 A 8 8 SER CB C 6 63.870 63.643 0.227 1
1 76 . 5 1 1 A 8 8 SER N N 6 116.154 119.506 -3.352 1
1 77 . 5 1 1 A 9 9 TYR H H 7 7.971 8.755 -0.784 1
1 78 . 5 1 1 A 9 9 TYR HA H 7 4.502 4.694 -0.192 1
1 85 . 5 1 1 A 9 9 TYR C C 7 175.520 176.390 -0.870 1
1 86 . 5 1 1 A 9 9 TYR CA C 7 58.008 56.674 1.334 1
1 87 . 5 1 1 A 9 9 TYR CB C 7 38.956 36.383 2.573 1
1 90 . 5 1 1 A 9 9 TYR N N 7 122.213 126.007 -3.794 1
1 91 . 5 1 1 A 10 10 ARG H H 8 8.118 8.543 -0.425 1
1 92 . 5 1 1 A 10 10 ARG HA H 8 4.253 4.223 0.030 1
1 99 . 5 1 1 A 10 10 ARG C C 8 175.918 176.100 -0.182 1
1 100 . 5 1 1 A 10 10 ARG CA C 8 56.104 57.916 -1.812 1
1 101 . 5 1 1 A 10 10 ARG CB C 8 30.875 30.537 0.338 1
1 104 . 5 1 1 A 10 10 ARG N N 8 122.182 120.032 2.150 1
1 105 . 5 1 1 A 11 11 CYS H H 9 8.097 7.864 0.233 1
1 106 . 5 1 1 A 11 11 CYS HA H 9 4.909 5.008 -0.099 1
1 109 . 5 1 1 A 11 11 CYS C C 9 173.615 173.405 0.210 1
1 110 . 5 1 1 A 11 11 CYS CA C 9 53.127 53.814 -0.687 1
1 111 . 5 1 1 A 11 11 CYS CB C 9 40.218 43.938 -3.720 1
1 112 . 5 1 1 A 11 11 CYS N N 9 121.280 118.500 2.780 1
1 113 . 5 1 1 A 12 12 PRO HA H 10 4.275 4.362 -0.087 1
1 120 . 5 1 1 A 12 12 PRO C C 10 177.703 176.700 1.003 1
1 121 . 5 1 1 A 12 12 PRO CA C 10 64.859 64.906 -0.047 1
1 122 . 5 1 1 A 12 12 PRO CB C 10 32.508 31.657 0.851 1
1 125 . 5 1 1 A 13 13 CYS H H 11 8.248 7.817 0.431 1
1 126 . 5 1 1 A 13 13 CYS HA H 11 4.827 5.098 -0.271 1
1 129 . 5 1 1 A 13 13 CYS C C 11 174.202 172.913 1.289 1
1 130 . 5 1 1 A 13 13 CYS CA C 11 53.429 55.031 -1.602 1
1 131 . 5 1 1 A 13 13 CYS CB C 11 39.603 44.457 -4.854 1
1 132 . 5 1 1 A 13 13 CYS N N 11 114.161 116.084 -1.923 1
1 133 . 5 1 1 A 14 14 ARG HA H 12 3.984 4.328 -0.344 1
1 140 . 5 1 1 A 14 14 ARG C C 12 175.202 175.981 -0.779 1
1 141 . 5 1 1 A 14 14 ARG CA C 12 57.293 56.945 0.348 1
1 142 . 5 1 1 A 14 14 ARG CB C 12 31.098 31.696 -0.598 1
1 145 . 5 1 1 A 15 15 PHE H H 13 7.524 7.837 -0.313 1
1 146 . 5 1 1 A 15 15 PHE HA H 13 4.488 5.088 -0.600 1
1 154 . 5 1 1 A 15 15 PHE C C 13 174.226 174.913 -0.687 1
1 155 . 5 1 1 A 15 15 PHE CA C 13 55.971 56.249 -0.278 1
1 156 . 5 1 1 A 15 15 PHE CB C 13 41.059 41.596 -0.537 1
1 160 . 5 1 1 A 15 15 PHE N N 13 116.175 115.499 0.676 1
1 161 . 5 1 1 A 16 16 PHE H H 14 8.309 9.212 -0.903 1
1 162 . 5 1 1 A 16 16 PHE HA H 14 4.794 5.328 -0.534 1
1 170 . 5 1 1 A 16 16 PHE C C 14 175.247 174.704 0.543 1
1 171 . 5 1 1 A 16 16 PHE CA C 14 55.559 56.268 -0.709 1
1 172 . 5 1 1 A 16 16 PHE CB C 14 41.220 43.119 -1.899 1
1 176 . 5 1 1 A 16 16 PHE N N 14 119.656 120.067 -0.411 1
1 177 . 5 1 1 A 17 17 GLU H H 15 8.904 9.617 -0.713 1
1 178 . 5 1 1 A 17 17 GLU HA H 15 4.525 4.702 -0.177 1
1 183 . 5 1 1 A 17 17 GLU C C 15 176.747 177.120 -0.373 1
1 184 . 5 1 1 A 17 17 GLU CA C 15 56.012 56.229 -0.217 1
1 185 . 5 1 1 A 17 17 GLU CB C 15 30.894 31.438 -0.544 1
1 187 . 5 1 1 A 17 17 GLU N N 15 122.929 123.974 -1.045 1
1 188 . 5 1 1 A 18 18 SER H H 16 8.752 8.708 0.044 1
1 189 . 5 1 1 A 18 18 SER HA H 16 4.708 4.772 -0.064 1
1 192 . 5 1 1 A 18 18 SER C C 16 174.278 174.836 -0.558 1
1 193 . 5 1 1 A 18 18 SER CA C 16 59.799 57.333 2.466 1
1 194 . 5 1 1 A 18 18 SER CB C 16 64.023 63.935 0.088 1
1 195 . 5 1 1 A 18 18 SER N N 16 119.679 118.953 0.726 1
1 196 . 5 1 1 A 19 19 HIS H H 17 9.044 7.833 1.211 1
1 197 . 5 1 1 A 19 19 HIS HA H 17 4.873 5.007 -0.134 1
1 202 . 5 1 1 A 19 19 HIS C C 17 174.580 175.154 -0.574 1
1 203 . 5 1 1 A 19 19 HIS CA C 17 56.240 55.615 0.625 1
1 204 . 5 1 1 A 19 19 HIS CB C 17 28.272 30.609 -2.337 1
1 207 . 5 1 1 A 19 19 HIS N N 17 120.269 119.356 0.913 1
1 208 . 5 1 1 A 20 20 VAL H H 18 7.212 7.321 -0.109 1
1 209 . 5 1 1 A 20 20 VAL HA H 18 4.226 3.945 0.281 1
1 217 . 5 1 1 A 20 20 VAL C C 18 174.138 175.216 -1.078 1
1 218 . 5 1 1 A 20 20 VAL CA C 18 61.605 63.462 -1.857 1
1 219 . 5 1 1 A 20 20 VAL CB C 18 34.102 32.249 1.853 1
1 221 . 5 1 1 A 20 20 VAL N N 18 119.528 120.767 -1.239 1
1 222 . 5 1 1 A 21 21 ALA H H 19 8.553 8.327 0.226 1
1 223 . 5 1 1 A 21 21 ALA HA H 19 4.340 4.384 -0.044 1
1 227 . 5 1 1 A 21 21 ALA C C 19 177.514 177.366 0.148 1
1 228 . 5 1 1 A 21 21 ALA CA C 19 50.666 50.607 0.059 1
1 229 . 5 1 1 A 21 21 ALA CB C 19 19.660 20.256 -0.596 1
1 230 . 5 1 1 A 21 21 ALA N N 19 131.180 129.718 1.462 1
1 231 . 5 1 1 A 22 22 ARG H H 20 7.726 8.055 -0.329 1
1 232 . 5 1 1 A 22 22 ARG HA H 20 2.590 3.349 -0.759 1
1 239 . 5 1 1 A 22 22 ARG C C 20 178.531 177.459 1.072 1
1 240 . 5 1 1 A 22 22 ARG CA C 20 59.155 58.355 0.800 1
1 241 . 5 1 1 A 22 22 ARG CB C 20 29.167 29.100 0.067 1
1 244 . 5 1 1 A 22 22 ARG N N 20 124.436 124.233 0.203 1
1 245 . 5 1 1 A 23 23 ALA H H 21 8.150 7.557 0.593 1
1 246 . 5 1 1 A 23 23 ALA HA H 21 4.019 4.053 -0.034 1
1 250 . 5 1 1 A 23 23 ALA C C 21 177.743 178.884 -1.141 1
1 251 . 5 1 1 A 23 23 ALA CA C 21 53.809 53.876 -0.067 1
1 252 . 5 1 1 A 23 23 ALA CB C 21 18.688 18.205 0.483 1
1 253 . 5 1 1 A 23 23 ALA N N 21 117.354 121.387 -4.033 1
1 254 . 5 1 1 A 24 24 ASN H H 22 7.706 7.812 -0.106 1
1 255 . 5 1 1 A 24 24 ASN HA H 22 4.906 4.746 0.160 1
1 260 . 5 1 1 A 24 24 ASN C C 22 174.889 175.393 -0.504 1
1 261 . 5 1 1 A 24 24 ASN CA C 22 52.590 53.671 -1.081 1
1 262 . 5 1 1 A 24 24 ASN CB C 22 40.335 38.979 1.356 1
1 263 . 5 1 1 A 24 24 ASN N N 22 112.797 115.372 -2.575 1
1 265 . 5 1 1 A 25 25 VAL H H 23 7.457 7.525 -0.068 1
1 266 . 5 1 1 A 25 25 VAL HA H 23 4.326 4.266 0.060 1
1 274 . 5 1 1 A 25 25 VAL C C 23 174.594 176.274 -1.680 1
1 275 . 5 1 1 A 25 25 VAL CA C 23 62.406 62.970 -0.564 1
1 276 . 5 1 1 A 25 25 VAL CB C 23 33.445 32.189 1.256 1
1 278 . 5 1 1 A 25 25 VAL N N 23 118.772 120.183 -1.411 1
1 279 . 5 1 1 A 26 26 LYS H H 24 9.261 9.464 -0.203 1
1 280 . 5 1 1 A 26 26 LYS HA H 24 4.406 4.393 0.013 1
1 289 . 5 1 1 A 26 26 LYS C C 24 175.247 176.351 -1.104 1
1 290 . 5 1 1 A 26 26 LYS CA C 24 56.483 57.270 -0.787 1
1 291 . 5 1 1 A 26 26 LYS CB C 24 35.023 33.447 1.576 1
1 295 . 5 1 1 A 26 26 LYS N N 24 125.197 122.428 2.769 1
1 296 . 5 1 1 A 27 27 HIS H H 25 7.811 7.075 0.736 1
1 297 . 5 1 1 A 27 27 HIS HA H 25 4.627 4.967 -0.340 1
1 302 . 5 1 1 A 27 27 HIS C C 25 173.157 172.617 0.540 1
1 303 . 5 1 1 A 27 27 HIS CA C 25 55.463 55.850 -0.387 1
1 304 . 5 1 1 A 27 27 HIS CB C 25 31.832 32.928 -1.096 1
1 307 . 5 1 1 A 27 27 HIS N N 25 115.509 118.204 -2.695 1
1 308 . 5 1 1 A 28 28 LEU H H 26 8.311 9.043 -0.732 1
1 309 . 5 1 1 A 28 28 LEU HA H 26 4.991 4.919 0.072 1
1 319 . 5 1 1 A 28 28 LEU C C 26 175.514 175.547 -0.033 1
1 320 . 5 1 1 A 28 28 LEU CA C 26 54.662 53.327 1.335 1
1 321 . 5 1 1 A 28 28 LEU CB C 26 45.594 43.827 1.767 1
1 325 . 5 1 1 A 29 29 LYS H H 27 9.003 9.010 -0.007 1
1 326 . 5 1 1 A 29 29 LYS HA H 27 4.578 4.800 -0.222 1
1 335 . 5 1 1 A 29 29 LYS C C 27 173.758 174.881 -1.123 1
1 336 . 5 1 1 A 29 29 LYS CA C 27 54.945 54.757 0.188 1
1 337 . 5 1 1 A 29 29 LYS CB C 27 36.358 35.568 0.790 1
1 341 . 5 1 1 A 29 29 LYS N N 27 122.740 124.236 -1.496 1
1 342 . 5 1 1 A 30 30 ILE H H 28 8.526 8.924 -0.398 1
1 343 . 5 1 1 A 30 30 ILE HA H 28 4.623 4.744 -0.121 1
1 353 . 5 1 1 A 30 30 ILE C C 28 175.988 174.732 1.256 1
1 354 . 5 1 1 A 30 30 ILE CA C 28 60.122 60.559 -0.437 1
1 355 . 5 1 1 A 30 30 ILE CB C 28 38.795 39.770 -0.975 1
1 359 . 5 1 1 A 30 30 ILE N N 28 123.517 127.635 -4.118 1
1 360 . 5 1 1 A 31 31 LEU H H 29 8.910 9.687 -0.777 1
1 361 . 5 1 1 A 31 31 LEU HA H 29 4.553 5.315 -0.762 1
1 371 . 5 1 1 A 31 31 LEU C C 29 176.005 174.962 1.043 1
1 372 . 5 1 1 A 31 31 LEU CA C 29 53.975 53.354 0.621 1
1 373 . 5 1 1 A 31 31 LEU CB C 29 43.485 45.369 -1.884 1
1 376 . 5 1 1 A 31 31 LEU N N 29 128.881 130.647 -1.766 1
1 377 . 5 1 1 A 32 32 ASN H H 30 8.710 9.095 -0.385 1
1 378 . 5 1 1 A 32 32 ASN HA H 30 4.954 5.705 -0.751 1
1 383 . 5 1 1 A 32 32 ASN C C 30 174.462 174.269 0.193 1
1 384 . 5 1 1 A 32 32 ASN CA C 30 52.413 51.466 0.947 1
1 385 . 5 1 1 A 32 32 ASN CB C 30 39.232 41.208 -1.976 1
1 386 . 5 1 1 A 32 32 ASN N N 30 124.019 124.434 -0.415 1
1 388 . 5 1 1 A 33 33 THR H H 31 8.094 8.619 -0.525 1
1 389 . 5 1 1 A 33 33 THR HA H 31 4.628 4.772 -0.144 1
1 394 . 5 1 1 A 33 33 THR CA C 31 59.475 58.844 0.631 1
1 395 . 5 1 1 A 33 33 THR CB C 31 70.459 71.829 -1.370 1
1 397 . 5 1 1 A 33 33 THR N N 31 118.961 116.257 2.704 1
1 398 . 5 1 1 A 34 34 PRO HA H 32 4.206 4.248 -0.042 1
1 405 . 5 1 1 A 34 34 PRO C C 32 176.814 178.256 -1.442 1
1 406 . 5 1 1 A 34 34 PRO CA C 32 64.445 65.820 -1.375 1
1 407 . 5 1 1 A 34 34 PRO CB C 32 32.170 31.777 0.393 1
1 410 . 5 1 1 A 35 35 ASN H H 33 8.504 8.509 -0.005 1
1 411 . 5 1 1 A 35 35 ASN HA H 33 4.342 4.722 -0.380 1
1 416 . 5 1 1 A 35 35 ASN C C 33 174.344 176.495 -2.151 1
1 417 . 5 1 1 A 35 35 ASN CA C 33 54.945 53.848 1.097 1
1 418 . 5 1 1 A 35 35 ASN CB C 33 38.122 39.010 -0.888 1
1 419 . 5 1 1 A 35 35 ASN N N 33 113.042 114.443 -1.401 1
1 421 . 5 1 1 A 36 36 CYS H H 34 7.526 7.872 -0.346 1
1 422 . 5 1 1 A 36 36 CYS HA H 34 4.878 4.643 0.235 1
1 425 . 5 1 1 A 36 36 CYS C C 34 173.880 174.249 -0.369 1
1 426 . 5 1 1 A 36 36 CYS CA C 34 54.622 55.880 -1.258 1
1 427 . 5 1 1 A 36 36 CYS CB C 34 44.780 42.539 2.241 1
1 428 . 5 1 1 A 36 36 CYS N N 34 116.301 114.833 1.468 1
1 429 . 5 1 1 A 37 37 ALA H H 35 8.395 7.750 0.645 1
1 430 . 5 1 1 A 37 37 ALA HA H 35 4.205 4.053 0.152 1
1 434 . 5 1 1 A 37 37 ALA C C 35 176.677 176.635 0.042 1
1 435 . 5 1 1 A 37 37 ALA CA C 35 52.413 54.335 -1.922 1
1 436 . 5 1 1 A 37 37 ALA CB C 35 18.968 17.865 1.103 1
1 437 . 5 1 1 A 37 37 ALA N N 35 125.001 122.999 2.002 1
1 438 . 5 1 1 A 38 38 LEU H H 36 8.004 8.374 -0.370 1
1 439 . 5 1 1 A 38 38 LEU HA H 36 4.206 4.526 -0.320 1
1 449 . 5 1 1 A 38 38 LEU C C 36 176.194 175.318 0.876 1
1 450 . 5 1 1 A 38 38 LEU CA C 36 56.563 55.626 0.937 1
1 451 . 5 1 1 A 38 38 LEU CB C 36 42.465 42.382 0.083 1
1 455 . 5 1 1 A 38 38 LEU N N 36 121.548 121.345 0.203 1
1 456 . 5 1 1 A 39 39 GLN H H 37 8.471 9.394 -0.923 1
1 457 . 5 1 1 A 39 39 GLN HA H 37 4.621 5.243 -0.622 1
1 464 . 5 1 1 A 39 39 GLN C C 37 173.581 174.720 -1.139 1
1 465 . 5 1 1 A 39 39 GLN CA C 37 54.172 54.309 -0.137 1
1 466 . 5 1 1 A 39 39 GLN CB C 37 32.461 32.359 0.102 1
1 468 . 5 1 1 A 39 39 GLN N N 37 123.271 124.652 -1.381 1
1 470 . 5 1 1 A 40 40 ILE H H 38 9.429 8.721 0.708 1
1 471 . 5 1 1 A 40 40 ILE HA H 38 4.718 4.778 -0.060 1
1 481 . 5 1 1 A 40 40 ILE C C 38 174.547 175.609 -1.062 1
1 482 . 5 1 1 A 40 40 ILE CA C 38 60.122 60.219 -0.097 1
1 483 . 5 1 1 A 40 40 ILE CB C 38 38.899 39.988 -1.089 1
1 487 . 5 1 1 A 40 40 ILE N N 38 124.702 124.604 0.098 1
1 488 . 5 1 1 A 41 41 VAL H H 39 8.872 8.898 -0.026 1
1 489 . 5 1 1 A 41 41 VAL HA H 39 5.027 4.977 0.050 1
1 497 . 5 1 1 A 41 41 VAL C C 39 174.772 174.689 0.083 1
1 498 . 5 1 1 A 41 41 VAL CA C 39 60.111 61.067 -0.956 1
1 499 . 5 1 1 A 41 41 VAL CB C 39 34.767 33.859 0.908 1
1 501 . 5 1 1 A 41 41 VAL N N 39 124.441 127.012 -2.571 1
1 502 . 5 1 1 A 42 42 ALA H H 40 9.305 9.131 0.174 1
1 503 . 5 1 1 A 42 42 ALA HA H 40 5.289 5.383 -0.094 1
1 507 . 5 1 1 A 42 42 ALA C C 40 175.955 176.054 -0.099 1
1 508 . 5 1 1 A 42 42 ALA CA C 40 50.093 50.739 -0.646 1
1 509 . 5 1 1 A 42 42 ALA CB C 40 24.063 23.123 0.940 1
1 510 . 5 1 1 A 42 42 ALA N N 40 126.567 128.405 -1.838 1
1 511 . 5 1 1 A 43 43 ARG H H 41 8.393 8.571 -0.178 1
1 512 . 5 1 1 A 43 43 ARG HA H 41 5.119 5.208 -0.089 1
1 519 . 5 1 1 A 43 43 ARG C C 41 176.184 175.746 0.438 1
1 520 . 5 1 1 A 43 43 ARG CA C 41 53.900 54.706 -0.806 1
1 521 . 5 1 1 A 43 43 ARG CB C 41 32.306 32.547 -0.241 1
1 524 . 5 1 1 A 43 43 ARG N N 41 118.991 122.101 -3.110 1
1 525 . 5 1 1 A 44 44 LEU H H 42 9.010 9.012 -0.002 1
1 526 . 5 1 1 A 44 44 LEU HA H 42 4.934 4.808 0.126 1
1 536 . 5 1 1 A 44 44 LEU C C 42 178.369 177.603 0.766 1
1 537 . 5 1 1 A 44 44 LEU CA C 42 54.329 54.168 0.161 1
1 538 . 5 1 1 A 44 44 LEU CB C 42 41.497 42.193 -0.696 1
1 542 . 5 1 1 A 44 44 LEU N N 42 125.764 124.721 1.043 1
1 543 . 5 1 1 A 45 45 LYS H H 43 8.474 9.664 -1.190 1
1 544 . 5 1 1 A 45 45 LYS HA H 43 3.821 4.019 -0.198 1
1 553 . 5 1 1 A 45 45 LYS CA C 43 59.340 59.301 0.039 1
1 554 . 5 1 1 A 45 45 LYS CB C 43 33.445 32.848 0.597 1
1 558 . 5 1 1 A 45 45 LYS N N 43 120.489 122.466 -1.977 1
1 559 . 5 1 1 A 46 46 ASN H H 44 8.657 7.583 1.074 1
1 560 . 5 1 1 A 46 46 ASN HA H 44 4.433 4.467 -0.034 1
1 565 . 5 1 1 A 46 46 ASN C C 44 175.970 177.364 -1.394 1
1 566 . 5 1 1 A 46 46 ASN CA C 44 55.457 55.943 -0.486 1
1 567 . 5 1 1 A 46 46 ASN CB C 44 37.507 38.411 -0.904 1
1 569 . 5 1 1 A 47 47 ASN H H 45 7.566 7.876 -0.310 1
1 570 . 5 1 1 A 47 47 ASN HA H 45 4.654 4.771 -0.117 1
1 575 . 5 1 1 A 47 47 ASN C C 45 175.461 175.191 0.270 1
1 576 . 5 1 1 A 47 47 ASN CA C 45 52.769 54.741 -1.972 1
1 577 . 5 1 1 A 47 47 ASN CB C 45 39.203 39.146 0.057 1
1 578 . 5 1 1 A 47 47 ASN N N 45 115.277 116.523 -1.246 1
1 580 . 5 1 1 A 48 48 ASN H H 46 8.008 8.235 -0.227 1
1 581 . 5 1 1 A 48 48 ASN HA H 46 4.649 4.896 -0.247 1
1 586 . 5 1 1 A 48 48 ASN C C 46 174.812 174.068 0.744 1
1 587 . 5 1 1 A 48 48 ASN CA C 46 54.491 54.572 -0.081 1
1 588 . 5 1 1 A 48 48 ASN CB C 46 39.092 38.208 0.884 1
1 589 . 5 1 1 A 48 48 ASN N N 46 116.416 117.596 -1.180 1
1 591 . 5 1 1 A 49 49 ARG H H 47 7.918 7.760 0.158 1
1 592 . 5 1 1 A 49 49 ARG HA H 47 4.206 4.294 -0.088 1
1 599 . 5 1 1 A 49 49 ARG C C 47 175.719 175.430 0.289 1
1 600 . 5 1 1 A 49 49 ARG CA C 47 57.084 56.485 0.599 1
1 601 . 5 1 1 A 49 49 ARG CB C 47 31.785 31.118 0.667 1
1 604 . 5 1 1 A 49 49 ARG N N 47 120.017 120.331 -0.314 1
1 605 . 5 1 1 A 50 50 GLN H H 48 8.617 8.660 -0.043 1
1 606 . 5 1 1 A 50 50 GLN HA H 48 5.212 4.972 0.240 1
1 613 . 5 1 1 A 50 50 GLN C C 48 175.697 175.594 0.103 1
1 614 . 5 1 1 A 50 50 GLN CA C 48 55.454 55.068 0.386 1
1 615 . 5 1 1 A 50 50 GLN CB C 48 30.953 30.365 0.588 1
1 617 . 5 1 1 A 50 50 GLN N N 48 123.029 122.994 0.035 1
1 619 . 5 1 1 A 51 51 VAL H H 49 9.009 9.286 -0.277 1
1 620 . 5 1 1 A 51 51 VAL HA H 49 4.747 4.875 -0.128 1
1 628 . 5 1 1 A 51 51 VAL C C 49 174.561 174.493 0.068 1
1 629 . 5 1 1 A 51 51 VAL CA C 49 59.266 59.071 0.195 1
1 630 . 5 1 1 A 51 51 VAL CB C 49 35.845 35.303 0.542 1
1 633 . 5 1 1 A 51 51 VAL N N 49 119.358 119.583 -0.225 1
1 634 . 5 1 1 A 52 52 CYS H H 50 8.850 8.544 0.306 1
1 635 . 5 1 1 A 52 52 CYS HA H 50 5.605 5.750 -0.145 1
1 638 . 5 1 1 A 52 52 CYS C C 50 174.469 172.932 1.537 1
1 639 . 5 1 1 A 52 52 CYS CA C 50 56.377 54.764 1.613 1
1 640 . 5 1 1 A 52 52 CYS CB C 50 44.694 43.776 0.918 1
1 641 . 5 1 1 A 52 52 CYS N N 50 120.834 119.879 0.955 1
1 642 . 5 1 1 A 53 53 ILE H H 51 8.656 9.469 -0.813 1
1 643 . 5 1 1 A 53 53 ILE HA H 51 4.461 4.699 -0.238 1
1 653 . 5 1 1 A 53 53 ILE C C 51 174.137 175.074 -0.937 1
1 654 . 5 1 1 A 53 53 ILE CA C 51 59.671 60.018 -0.347 1
1 655 . 5 1 1 A 53 53 ILE CB C 51 39.603 41.357 -1.754 1
1 659 . 5 1 1 A 53 53 ILE N N 51 122.740 125.481 -2.741 1
1 660 . 5 1 1 A 54 54 ASP H H 52 7.746 7.972 -0.226 1
1 661 . 5 1 1 A 54 54 ASP HA H 52 3.650 4.263 -0.613 1
1 664 . 5 1 1 A 54 54 ASP CA C 52 51.578 51.703 -0.125 1
1 665 . 5 1 1 A 54 54 ASP CB C 52 42.384 41.758 0.626 1
1 666 . 5 1 1 A 54 54 ASP N N 52 126.398 126.915 -0.517 1
1 667 . 5 1 1 A 55 55 PRO HA H 53 3.990 4.388 -0.398 1
1 674 . 5 1 1 A 55 55 PRO C C 53 176.274 176.771 -0.497 1
1 675 . 5 1 1 A 55 55 PRO CA C 53 63.546 63.866 -0.320 1
1 676 . 5 1 1 A 55 55 PRO CB C 53 32.272 31.522 0.750 1
1 679 . 5 1 1 A 56 56 LYS H H 54 8.054 8.202 -0.148 1
1 680 . 5 1 1 A 56 56 LYS HA H 54 3.954 4.331 -0.377 1
1 689 . 5 1 1 A 56 56 LYS C C 54 177.867 176.564 1.303 1
1 690 . 5 1 1 A 56 56 LYS CA C 54 56.189 55.721 0.468 1
1 691 . 5 1 1 A 56 56 LYS CB C 54 31.680 32.584 -0.904 1
1 695 . 5 1 1 A 56 56 LYS N N 54 115.161 115.429 -0.268 1
1 696 . 5 1 1 A 57 57 LEU H H 55 7.172 6.725 0.447 1
1 697 . 5 1 1 A 57 57 LEU HA H 55 4.021 4.106 -0.085 1
1 707 . 5 1 1 A 57 57 LEU C C 55 179.221 178.824 0.397 1
1 708 . 5 1 1 A 57 57 LEU CA C 55 55.781 55.238 0.543 1
1 709 . 5 1 1 A 57 57 LEU CB C 55 41.739 41.652 0.087 1
1 713 . 5 1 1 A 57 57 LEU N N 55 120.921 123.497 -2.576 1
1 714 . 5 1 1 A 58 58 LYS H H 56 8.753 8.654 0.099 1
1 715 . 5 1 1 A 58 58 LYS HA H 56 3.898 4.042 -0.144 1
1 724 . 5 1 1 A 58 58 LYS C C 56 179.161 177.756 1.405 1
1 725 . 5 1 1 A 58 58 LYS CA C 56 60.318 58.790 1.528 1
1 726 . 5 1 1 A 58 58 LYS CB C 56 32.100 31.989 0.111 1
1 730 . 5 1 1 A 58 58 LYS N N 56 125.449 122.144 3.305 1
1 731 . 5 1 1 A 59 59 TRP H H 57 7.889 8.159 -0.270 1
1 732 . 5 1 1 A 59 59 TRP HA H 57 4.612 4.770 -0.158 1
1 741 . 5 1 1 A 59 59 TRP C C 57 178.642 179.057 -0.415 1
1 742 . 5 1 1 A 59 59 TRP CA C 57 58.388 59.458 -1.070 1
1 743 . 5 1 1 A 59 59 TRP CB C 57 27.954 28.645 -0.691 1
1 749 . 5 1 1 A 59 59 TRP N N 57 113.858 119.096 -5.238 1
1 751 . 5 1 1 A 60 60 ILE H H 58 6.296 7.613 -1.317 1
1 752 . 5 1 1 A 60 60 ILE HA H 58 3.627 3.287 0.340 1
1 762 . 5 1 1 A 60 60 ILE C C 58 177.104 177.900 -0.796 1
1 763 . 5 1 1 A 60 60 ILE CA C 58 61.605 64.452 -2.847 1
1 764 . 5 1 1 A 60 60 ILE CB C 58 36.043 36.464 -0.421 1
1 768 . 5 1 1 A 60 60 ILE N N 58 123.265 122.259 1.006 1
1 769 . 5 1 1 A 61 61 GLN H H 59 7.650 8.290 -0.640 1
1 770 . 5 1 1 A 61 61 GLN HA H 59 3.811 3.891 -0.080 1
1 777 . 5 1 1 A 61 61 GLN C C 59 178.933 179.157 -0.224 1
1 778 . 5 1 1 A 61 61 GLN CA C 59 59.663 59.046 0.617 1
1 779 . 5 1 1 A 61 61 GLN CB C 59 27.972 28.471 -0.499 1
1 781 . 5 1 1 A 61 61 GLN N N 59 120.850 119.113 1.737 1
1 783 . 5 1 1 A 62 62 GLU H H 60 8.057 7.992 0.065 1
1 784 . 5 1 1 A 62 62 GLU HA H 60 4.081 4.400 -0.319 1
1 789 . 5 1 1 A 62 62 GLU C C 60 178.539 178.638 -0.099 1
1 790 . 5 1 1 A 62 62 GLU CA C 60 59.152 59.296 -0.144 1
1 791 . 5 1 1 A 62 62 GLU CB C 60 29.896 29.540 0.356 1
1 793 . 5 1 1 A 62 62 GLU N N 60 117.976 121.205 -3.229 1
1 794 . 5 1 1 A 63 63 TYR H H 61 8.004 8.455 -0.451 1
1 795 . 5 1 1 A 63 63 TYR HA H 61 4.216 4.080 0.136 1
1 802 . 5 1 1 A 63 63 TYR C C 61 178.157 176.937 1.220 1
1 803 . 5 1 1 A 63 63 TYR CA C 61 61.281 60.870 0.411 1
1 804 . 5 1 1 A 63 63 TYR CB C 61 38.956 38.523 0.433 1
1 807 . 5 1 1 A 63 63 TYR N N 61 120.743 122.382 -1.639 1
1 808 . 5 1 1 A 64 64 LEU H H 62 8.460 8.601 -0.141 1
1 809 . 5 1 1 A 64 64 LEU HA H 62 3.850 3.626 0.224 1
1 819 . 5 1 1 A 64 64 LEU C C 62 178.678 178.896 -0.218 1
1 820 . 5 1 1 A 64 64 LEU CA C 62 57.619 57.446 0.173 1
1 821 . 5 1 1 A 64 64 LEU CB C 62 41.868 41.205 0.663 1
1 825 . 5 1 1 A 64 64 LEU N N 62 119.052 119.067 -0.015 1
1 826 . 5 1 1 A 65 65 GLU H H 63 7.850 8.382 -0.532 1
1 827 . 5 1 1 A 65 65 GLU HA H 63 3.974 3.907 0.067 1
1 832 . 5 1 1 A 65 65 GLU C C 63 178.447 179.028 -0.581 1
1 833 . 5 1 1 A 65 65 GLU CA C 63 59.143 59.949 -0.806 1
1 834 . 5 1 1 A 65 65 GLU CB C 63 29.721 29.461 0.260 1
1 836 . 5 1 1 A 65 65 GLU N N 63 118.310 120.404 -2.094 1
1 837 . 5 1 1 A 66 66 LYS H H 64 7.648 8.175 -0.527 1
1 838 . 5 1 1 A 66 66 LYS HA H 64 4.156 3.978 0.178 1
1 847 . 5 1 1 A 66 66 LYS C C 64 177.941 178.629 -0.688 1
1 848 . 5 1 1 A 66 66 LYS CA C 64 57.820 59.422 -1.602 1
1 849 . 5 1 1 A 66 66 LYS CB C 64 32.620 32.280 0.340 1
1 853 . 5 1 1 A 66 66 LYS N N 64 117.638 121.079 -3.441 1
1 854 . 5 1 1 A 67 67 ALA H H 65 8.004 8.165 -0.161 1
1 855 . 5 1 1 A 67 67 ALA HA H 65 4.068 3.961 0.107 1
1 859 . 5 1 1 A 67 67 ALA C C 65 178.624 180.205 -1.581 1
1 860 . 5 1 1 A 67 67 ALA CA C 65 53.790 54.672 -0.882 1
1 861 . 5 1 1 A 67 67 ALA CB C 65 19.082 18.199 0.883 1
1 862 . 5 1 1 A 67 67 ALA N N 65 121.228 120.480 0.748 1
1 863 . 5 1 1 A 68 68 LEU H H 66 7.791 8.064 -0.273 1
1 864 . 5 1 1 A 68 68 LEU HA H 66 4.274 3.974 0.300 1
1 874 . 5 1 1 A 68 68 LEU CA C 66 55.593 57.540 -1.947 1
1 875 . 5 1 1 A 68 68 LEU CB C 66 42.329 41.563 0.766 1
1 878 . 5 1 1 A 68 68 LEU N N 66 116.882 120.294 -3.412 1
1 879 . 5 1 1 A 69 69 ASN H H 67 7.914 8.090 -0.176 1
1 880 . 5 1 1 A 69 69 ASN HA H 67 4.803 4.454 0.349 1
1 885 . 5 1 1 A 69 69 ASN C C 67 174.039 177.357 -3.318 1
1 886 . 5 1 1 A 69 69 ASN CA C 67 53.434 55.829 -2.395 1
1 887 . 5 1 1 A 69 69 ASN CB C 67 39.601 38.315 1.286 1
1 888 . 5 1 1 A 69 69 ASN N N 67 118.309 116.416 1.893 1
1 18 . 6 1 1 A 4 4 PRO HA H 2 4.416 4.671 -0.255 1
1 25 . 6 1 1 A 4 4 PRO C C 2 176.996 177.697 -0.701 1
1 26 . 6 1 1 A 4 4 PRO CA C 2 63.494 62.566 0.928 1
1 27 . 6 1 1 A 4 4 PRO CB C 2 32.161 32.604 -0.443 1
1 30 . 6 1 1 A 5 5 VAL H H 3 8.227 8.723 -0.496 1
1 31 . 6 1 1 A 5 5 VAL HA H 3 4.058 3.961 0.097 1
1 39 . 6 1 1 A 5 5 VAL C C 3 176.376 176.354 0.022 1
1 40 . 6 1 1 A 5 5 VAL CA C 3 62.495 64.589 -2.094 1
1 41 . 6 1 1 A 5 5 VAL CB C 3 32.808 31.923 0.885 1
1 43 . 6 1 1 A 5 5 VAL N N 3 121.008 122.200 -1.192 1
1 44 . 6 1 1 A 6 6 SER H H 4 8.270 7.818 0.452 1
1 45 . 6 1 1 A 6 6 SER HA H 4 4.409 4.567 -0.158 1
1 48 . 6 1 1 A 6 6 SER C C 4 174.577 172.790 1.787 1
1 49 . 6 1 1 A 6 6 SER CA C 4 58.148 56.927 1.221 1
1 50 . 6 1 1 A 6 6 SER CB C 4 63.870 63.764 0.106 1
1 51 . 6 1 1 A 6 6 SER N N 4 119.573 112.693 6.880 1
1 52 . 6 1 1 A 7 7 LEU H H 5 8.273 8.998 -0.725 1
1 53 . 6 1 1 A 7 7 LEU HA H 5 4.320 4.746 -0.426 1
1 63 . 6 1 1 A 7 7 LEU C C 5 177.341 175.923 1.418 1
1 64 . 6 1 1 A 7 7 LEU CA C 5 55.388 54.077 1.311 1
1 65 . 6 1 1 A 7 7 LEU CB C 5 42.650 44.323 -1.673 1
1 68 . 6 1 1 A 7 7 LEU N N 5 125.039 128.992 -3.953 1
1 69 . 6 1 1 A 8 8 SER H H 6 8.127 8.636 -0.509 1
1 70 . 6 1 1 A 8 8 SER HA H 6 4.335 4.514 -0.179 1
1 73 . 6 1 1 A 8 8 SER C C 6 174.189 173.611 0.578 1
1 74 . 6 1 1 A 8 8 SER CA C 6 58.433 58.332 0.101 1
1 75 . 6 1 1 A 8 8 SER CB C 6 63.870 63.677 0.193 1
1 76 . 6 1 1 A 8 8 SER N N 6 116.154 121.902 -5.748 1
1 77 . 6 1 1 A 9 9 TYR H H 7 7.971 8.730 -0.759 1
1 78 . 6 1 1 A 9 9 TYR HA H 7 4.502 4.941 -0.439 1
1 85 . 6 1 1 A 9 9 TYR C C 7 175.520 175.600 -0.080 1
1 86 . 6 1 1 A 9 9 TYR CA C 7 58.008 56.775 1.233 1
1 87 . 6 1 1 A 9 9 TYR CB C 7 38.956 43.271 -4.315 1
1 90 . 6 1 1 A 9 9 TYR N N 7 122.213 124.242 -2.029 1
1 91 . 6 1 1 A 10 10 ARG H H 8 8.118 8.837 -0.719 1
1 92 . 6 1 1 A 10 10 ARG HA H 8 4.253 4.237 0.016 1
1 99 . 6 1 1 A 10 10 ARG C C 8 175.918 176.318 -0.400 1
1 100 . 6 1 1 A 10 10 ARG CA C 8 56.104 57.901 -1.797 1
1 101 . 6 1 1 A 10 10 ARG CB C 8 30.875 30.812 0.063 1
1 104 . 6 1 1 A 10 10 ARG N N 8 122.182 119.964 2.218 1
1 105 . 6 1 1 A 11 11 CYS H H 9 8.097 7.932 0.165 1
1 106 . 6 1 1 A 11 11 CYS HA H 9 4.909 4.911 -0.002 1
1 109 . 6 1 1 A 11 11 CYS C C 9 173.615 173.837 -0.222 1
1 110 . 6 1 1 A 11 11 CYS CA C 9 53.127 54.012 -0.885 1
1 111 . 6 1 1 A 11 11 CYS CB C 9 40.218 43.767 -3.549 1
1 112 . 6 1 1 A 11 11 CYS N N 9 121.280 118.408 2.872 1
1 113 . 6 1 1 A 12 12 PRO HA H 10 4.275 4.282 -0.007 1
1 120 . 6 1 1 A 12 12 PRO C C 10 177.703 177.062 0.641 1
1 121 . 6 1 1 A 12 12 PRO CA C 10 64.859 64.611 0.248 1
1 122 . 6 1 1 A 12 12 PRO CB C 10 32.508 31.695 0.813 1
1 125 . 6 1 1 A 13 13 CYS H H 11 8.248 7.472 0.776 1
1 126 . 6 1 1 A 13 13 CYS HA H 11 4.827 4.742 0.085 1
1 129 . 6 1 1 A 13 13 CYS C C 11 174.202 173.391 0.811 1
1 130 . 6 1 1 A 13 13 CYS CA C 11 53.429 55.177 -1.748 1
1 131 . 6 1 1 A 13 13 CYS CB C 11 39.603 45.514 -5.911 1
1 132 . 6 1 1 A 13 13 CYS N N 11 114.161 115.488 -1.327 1
1 133 . 6 1 1 A 14 14 ARG HA H 12 3.984 4.008 -0.024 1
1 140 . 6 1 1 A 14 14 ARG C C 12 175.202 175.817 -0.615 1
1 141 . 6 1 1 A 14 14 ARG CA C 12 57.293 57.356 -0.063 1
1 142 . 6 1 1 A 14 14 ARG CB C 12 31.098 31.036 0.062 1
1 145 . 6 1 1 A 15 15 PHE H H 13 7.524 7.479 0.045 1
1 146 . 6 1 1 A 15 15 PHE HA H 13 4.488 5.143 -0.655 1
1 154 . 6 1 1 A 15 15 PHE C C 13 174.226 173.205 1.021 1
1 155 . 6 1 1 A 15 15 PHE CA C 13 55.971 54.923 1.048 1
1 156 . 6 1 1 A 15 15 PHE CB C 13 41.059 42.212 -1.153 1
1 160 . 6 1 1 A 15 15 PHE N N 13 116.175 113.578 2.597 1
1 161 . 6 1 1 A 16 16 PHE H H 14 8.309 9.138 -0.829 1
1 162 . 6 1 1 A 16 16 PHE HA H 14 4.794 4.946 -0.152 1
1 170 . 6 1 1 A 16 16 PHE C C 14 175.247 175.570 -0.323 1
1 171 . 6 1 1 A 16 16 PHE CA C 14 55.559 56.199 -0.640 1
1 172 . 6 1 1 A 16 16 PHE CB C 14 41.220 43.058 -1.838 1
1 176 . 6 1 1 A 16 16 PHE N N 14 119.656 117.405 2.251 1
1 177 . 6 1 1 A 17 17 GLU H H 15 8.904 9.658 -0.754 1
1 178 . 6 1 1 A 17 17 GLU HA H 15 4.525 4.520 0.005 1
1 183 . 6 1 1 A 17 17 GLU C C 15 176.747 176.757 -0.010 1
1 184 . 6 1 1 A 17 17 GLU CA C 15 56.012 57.248 -1.236 1
1 185 . 6 1 1 A 17 17 GLU CB C 15 30.894 30.124 0.770 1
1 187 . 6 1 1 A 17 17 GLU N N 15 122.929 123.497 -0.568 1
1 188 . 6 1 1 A 18 18 SER H H 16 8.752 8.853 -0.101 1
1 189 . 6 1 1 A 18 18 SER HA H 16 4.708 4.716 -0.008 1
1 192 . 6 1 1 A 18 18 SER C C 16 174.278 173.915 0.363 1
1 193 . 6 1 1 A 18 18 SER CA C 16 59.799 58.540 1.259 1
1 194 . 6 1 1 A 18 18 SER CB C 16 64.023 63.949 0.074 1
1 195 . 6 1 1 A 18 18 SER N N 16 119.679 119.450 0.229 1
1 196 . 6 1 1 A 19 19 HIS H H 17 9.044 7.781 1.263 1
1 197 . 6 1 1 A 19 19 HIS HA H 17 4.873 5.096 -0.223 1
1 202 . 6 1 1 A 19 19 HIS C C 17 174.580 172.960 1.620 1
1 203 . 6 1 1 A 19 19 HIS CA C 17 56.240 54.211 2.029 1
1 204 . 6 1 1 A 19 19 HIS CB C 17 28.272 31.742 -3.470 1
1 207 . 6 1 1 A 19 19 HIS N N 17 120.269 121.458 -1.189 1
1 208 . 6 1 1 A 20 20 VAL H H 18 7.212 9.030 -1.818 1
1 209 . 6 1 1 A 20 20 VAL HA H 18 4.226 4.577 -0.351 1
1 217 . 6 1 1 A 20 20 VAL C C 18 174.138 174.060 0.078 1
1 218 . 6 1 1 A 20 20 VAL CA C 18 61.605 60.292 1.313 1
1 219 . 6 1 1 A 20 20 VAL CB C 18 34.102 36.142 -2.040 1
1 221 . 6 1 1 A 20 20 VAL N N 18 119.528 127.194 -7.666 1
1 222 . 6 1 1 A 21 21 ALA H H 19 8.553 8.396 0.157 1
1 223 . 6 1 1 A 21 21 ALA HA H 19 4.340 4.478 -0.138 1
1 227 . 6 1 1 A 21 21 ALA C C 19 177.514 177.540 -0.026 1
1 228 . 6 1 1 A 21 21 ALA CA C 19 50.666 50.214 0.452 1
1 229 . 6 1 1 A 21 21 ALA CB C 19 19.660 20.759 -1.099 1
1 230 . 6 1 1 A 21 21 ALA N N 19 131.180 127.249 3.931 1
1 231 . 6 1 1 A 22 22 ARG H H 20 7.726 8.115 -0.389 1
1 232 . 6 1 1 A 22 22 ARG HA H 20 2.590 3.068 -0.478 1
1 239 . 6 1 1 A 22 22 ARG C C 20 178.531 177.064 1.467 1
1 240 . 6 1 1 A 22 22 ARG CA C 20 59.155 58.377 0.778 1
1 241 . 6 1 1 A 22 22 ARG CB C 20 29.167 29.436 -0.269 1
1 244 . 6 1 1 A 22 22 ARG N N 20 124.436 122.582 1.854 1
1 245 . 6 1 1 A 23 23 ALA H H 21 8.150 7.593 0.557 1
1 246 . 6 1 1 A 23 23 ALA HA H 21 4.019 4.111 -0.092 1
1 250 . 6 1 1 A 23 23 ALA C C 21 177.743 178.756 -1.013 1
1 251 . 6 1 1 A 23 23 ALA CA C 21 53.809 53.156 0.653 1
1 252 . 6 1 1 A 23 23 ALA CB C 21 18.688 18.742 -0.054 1
1 253 . 6 1 1 A 23 23 ALA N N 21 117.354 120.543 -3.189 1
1 254 . 6 1 1 A 24 24 ASN H H 22 7.706 7.636 0.070 1
1 255 . 6 1 1 A 24 24 ASN HA H 22 4.906 4.602 0.304 1
1 260 . 6 1 1 A 24 24 ASN C C 22 174.889 175.003 -0.114 1
1 261 . 6 1 1 A 24 24 ASN CA C 22 52.590 54.981 -2.391 1
1 262 . 6 1 1 A 24 24 ASN CB C 22 40.335 39.318 1.017 1
1 263 . 6 1 1 A 24 24 ASN N N 22 112.797 115.847 -3.050 1
1 265 . 6 1 1 A 25 25 VAL H H 23 7.457 6.980 0.477 1
1 266 . 6 1 1 A 25 25 VAL HA H 23 4.326 4.265 0.061 1
1 274 . 6 1 1 A 25 25 VAL C C 23 174.594 175.441 -0.847 1
1 275 . 6 1 1 A 25 25 VAL CA C 23 62.406 61.540 0.866 1
1 276 . 6 1 1 A 25 25 VAL CB C 23 33.445 32.616 0.829 1
1 278 . 6 1 1 A 25 25 VAL N N 23 118.772 116.571 2.201 1
1 279 . 6 1 1 A 26 26 LYS H H 24 9.261 9.500 -0.239 1
1 280 . 6 1 1 A 26 26 LYS HA H 24 4.406 4.374 0.032 1
1 289 . 6 1 1 A 26 26 LYS C C 24 175.247 176.262 -1.015 1
1 290 . 6 1 1 A 26 26 LYS CA C 24 56.483 57.293 -0.810 1
1 291 . 6 1 1 A 26 26 LYS CB C 24 35.023 33.464 1.559 1
1 295 . 6 1 1 A 26 26 LYS N N 24 125.197 121.910 3.287 1
1 296 . 6 1 1 A 27 27 HIS H H 25 7.811 7.095 0.716 1
1 297 . 6 1 1 A 27 27 HIS HA H 25 4.627 4.917 -0.290 1
1 302 . 6 1 1 A 27 27 HIS C C 25 173.157 172.477 0.680 1
1 303 . 6 1 1 A 27 27 HIS CA C 25 55.463 55.427 0.036 1
1 304 . 6 1 1 A 27 27 HIS CB C 25 31.832 32.834 -1.002 1
1 307 . 6 1 1 A 27 27 HIS N N 25 115.509 118.367 -2.858 1
1 308 . 6 1 1 A 28 28 LEU H H 26 8.311 8.995 -0.684 1
1 309 . 6 1 1 A 28 28 LEU HA H 26 4.991 4.847 0.144 1
1 319 . 6 1 1 A 28 28 LEU C C 26 175.514 175.144 0.370 1
1 320 . 6 1 1 A 28 28 LEU CA C 26 54.662 53.818 0.844 1
1 321 . 6 1 1 A 28 28 LEU CB C 26 45.594 44.266 1.328 1
1 325 . 6 1 1 A 29 29 LYS H H 27 9.003 9.095 -0.092 1
1 326 . 6 1 1 A 29 29 LYS HA H 27 4.578 4.816 -0.238 1
1 335 . 6 1 1 A 29 29 LYS C C 27 173.758 174.703 -0.945 1
1 336 . 6 1 1 A 29 29 LYS CA C 27 54.945 54.620 0.325 1
1 337 . 6 1 1 A 29 29 LYS CB C 27 36.358 35.493 0.865 1
1 341 . 6 1 1 A 29 29 LYS N N 27 122.740 126.680 -3.940 1
1 342 . 6 1 1 A 30 30 ILE H H 28 8.526 8.924 -0.398 1
1 343 . 6 1 1 A 30 30 ILE HA H 28 4.623 4.875 -0.252 1
1 353 . 6 1 1 A 30 30 ILE C C 28 175.988 174.574 1.414 1
1 354 . 6 1 1 A 30 30 ILE CA C 28 60.122 59.695 0.427 1
1 355 . 6 1 1 A 30 30 ILE CB C 28 38.795 38.521 0.274 1
1 359 . 6 1 1 A 30 30 ILE N N 28 123.517 127.875 -4.358 1
1 360 . 6 1 1 A 31 31 LEU H H 29 8.910 9.609 -0.699 1
1 361 . 6 1 1 A 31 31 LEU HA H 29 4.553 5.026 -0.473 1
1 371 . 6 1 1 A 31 31 LEU C C 29 176.005 175.631 0.374 1
1 372 . 6 1 1 A 31 31 LEU CA C 29 53.975 53.792 0.183 1
1 373 . 6 1 1 A 31 31 LEU CB C 29 43.485 43.877 -0.392 1
1 376 . 6 1 1 A 31 31 LEU N N 29 128.881 129.806 -0.925 1
1 377 . 6 1 1 A 32 32 ASN H H 30 8.710 8.871 -0.161 1
1 378 . 6 1 1 A 32 32 ASN HA H 30 4.954 5.575 -0.621 1
1 383 . 6 1 1 A 32 32 ASN C C 30 174.462 174.720 -0.258 1
1 384 . 6 1 1 A 32 32 ASN CA C 30 52.413 51.947 0.466 1
1 385 . 6 1 1 A 32 32 ASN CB C 30 39.232 39.790 -0.558 1
1 386 . 6 1 1 A 32 32 ASN N N 30 124.019 124.838 -0.819 1
1 388 . 6 1 1 A 33 33 THR H H 31 8.094 8.948 -0.854 1
1 389 . 6 1 1 A 33 33 THR HA H 31 4.628 4.759 -0.131 1
1 394 . 6 1 1 A 33 33 THR CA C 31 59.475 58.906 0.569 1
1 395 . 6 1 1 A 33 33 THR CB C 31 70.459 72.090 -1.631 1
1 397 . 6 1 1 A 33 33 THR N N 31 118.961 116.270 2.691 1
1 398 . 6 1 1 A 34 34 PRO HA H 32 4.206 4.254 -0.048 1
1 405 . 6 1 1 A 34 34 PRO C C 32 176.814 177.680 -0.866 1
1 406 . 6 1 1 A 34 34 PRO CA C 32 64.445 65.900 -1.455 1
1 407 . 6 1 1 A 34 34 PRO CB C 32 32.170 31.465 0.705 1
1 410 . 6 1 1 A 35 35 ASN H H 33 8.504 8.439 0.065 1
1 411 . 6 1 1 A 35 35 ASN HA H 33 4.342 4.786 -0.444 1
1 416 . 6 1 1 A 35 35 ASN C C 33 174.344 176.277 -1.933 1
1 417 . 6 1 1 A 35 35 ASN CA C 33 54.945 53.349 1.596 1
1 418 . 6 1 1 A 35 35 ASN CB C 33 38.122 39.018 -0.896 1
1 419 . 6 1 1 A 35 35 ASN N N 33 113.042 113.851 -0.809 1
1 421 . 6 1 1 A 36 36 CYS H H 34 7.526 7.817 -0.291 1
1 422 . 6 1 1 A 36 36 CYS HA H 34 4.878 4.690 0.188 1
1 425 . 6 1 1 A 36 36 CYS C C 34 173.880 174.214 -0.334 1
1 426 . 6 1 1 A 36 36 CYS CA C 34 54.622 55.775 -1.153 1
1 427 . 6 1 1 A 36 36 CYS CB C 34 44.780 42.781 1.999 1
1 428 . 6 1 1 A 36 36 CYS N N 34 116.301 116.703 -0.402 1
1 429 . 6 1 1 A 37 37 ALA H H 35 8.395 7.928 0.467 1
1 430 . 6 1 1 A 37 37 ALA HA H 35 4.205 3.908 0.297 1
1 434 . 6 1 1 A 37 37 ALA C C 35 176.677 176.306 0.371 1
1 435 . 6 1 1 A 37 37 ALA CA C 35 52.413 54.587 -2.174 1
1 436 . 6 1 1 A 37 37 ALA CB C 35 18.968 17.992 0.976 1
1 437 . 6 1 1 A 37 37 ALA N N 35 125.001 121.756 3.245 1
1 438 . 6 1 1 A 38 38 LEU H H 36 8.004 7.594 0.410 1
1 439 . 6 1 1 A 38 38 LEU HA H 36 4.206 5.155 -0.949 1
1 449 . 6 1 1 A 38 38 LEU C C 36 176.194 175.041 1.153 1
1 450 . 6 1 1 A 38 38 LEU CA C 36 56.563 53.313 3.250 1
1 451 . 6 1 1 A 38 38 LEU CB C 36 42.465 46.171 -3.706 1
1 455 . 6 1 1 A 38 38 LEU N N 36 121.548 113.264 8.284 1
1 456 . 6 1 1 A 39 39 GLN H H 37 8.471 9.676 -1.205 1
1 457 . 6 1 1 A 39 39 GLN HA H 37 4.621 5.051 -0.430 1
1 464 . 6 1 1 A 39 39 GLN C C 37 173.581 174.575 -0.994 1
1 465 . 6 1 1 A 39 39 GLN CA C 37 54.172 54.297 -0.125 1
1 466 . 6 1 1 A 39 39 GLN CB C 37 32.461 31.753 0.708 1
1 468 . 6 1 1 A 39 39 GLN N N 37 123.271 120.144 3.127 1
1 470 . 6 1 1 A 40 40 ILE H H 38 9.429 8.994 0.435 1
1 471 . 6 1 1 A 40 40 ILE HA H 38 4.718 4.767 -0.049 1
1 481 . 6 1 1 A 40 40 ILE C C 38 174.547 175.616 -1.069 1
1 482 . 6 1 1 A 40 40 ILE CA C 38 60.122 59.972 0.150 1
1 483 . 6 1 1 A 40 40 ILE CB C 38 38.899 38.963 -0.064 1
1 487 . 6 1 1 A 40 40 ILE N N 38 124.702 124.035 0.667 1
1 488 . 6 1 1 A 41 41 VAL H H 39 8.872 9.485 -0.613 1
1 489 . 6 1 1 A 41 41 VAL HA H 39 5.027 5.080 -0.053 1
1 497 . 6 1 1 A 41 41 VAL C C 39 174.772 174.949 -0.177 1
1 498 . 6 1 1 A 41 41 VAL CA C 39 60.111 61.035 -0.924 1
1 499 . 6 1 1 A 41 41 VAL CB C 39 34.767 33.986 0.781 1
1 501 . 6 1 1 A 41 41 VAL N N 39 124.441 128.445 -4.004 1
1 502 . 6 1 1 A 42 42 ALA H H 40 9.305 9.119 0.186 1
1 503 . 6 1 1 A 42 42 ALA HA H 40 5.289 5.251 0.038 1
1 507 . 6 1 1 A 42 42 ALA C C 40 175.955 176.063 -0.108 1
1 508 . 6 1 1 A 42 42 ALA CA C 40 50.093 50.881 -0.788 1
1 509 . 6 1 1 A 42 42 ALA CB C 40 24.063 22.892 1.171 1
1 510 . 6 1 1 A 42 42 ALA N N 40 126.567 128.376 -1.809 1
1 511 . 6 1 1 A 43 43 ARG H H 41 8.393 8.497 -0.104 1
1 512 . 6 1 1 A 43 43 ARG HA H 41 5.119 5.364 -0.245 1
1 519 . 6 1 1 A 43 43 ARG C C 41 176.184 175.894 0.290 1
1 520 . 6 1 1 A 43 43 ARG CA C 41 53.900 54.929 -1.029 1
1 521 . 6 1 1 A 43 43 ARG CB C 41 32.306 32.218 0.088 1
1 524 . 6 1 1 A 43 43 ARG N N 41 118.991 123.050 -4.059 1
1 525 . 6 1 1 A 44 44 LEU H H 42 9.010 9.015 -0.005 1
1 526 . 6 1 1 A 44 44 LEU HA H 42 4.934 4.652 0.282 1
1 536 . 6 1 1 A 44 44 LEU C C 42 178.369 178.155 0.214 1
1 537 . 6 1 1 A 44 44 LEU CA C 42 54.329 54.358 -0.029 1
1 538 . 6 1 1 A 44 44 LEU CB C 42 41.497 42.262 -0.765 1
1 542 . 6 1 1 A 44 44 LEU N N 42 125.764 125.069 0.695 1
1 543 . 6 1 1 A 45 45 LYS H H 43 8.474 9.421 -0.947 1
1 544 . 6 1 1 A 45 45 LYS HA H 43 3.821 3.902 -0.081 1
1 553 . 6 1 1 A 45 45 LYS CA C 43 59.340 59.802 -0.462 1
1 554 . 6 1 1 A 45 45 LYS CB C 43 33.445 32.866 0.579 1
1 558 . 6 1 1 A 45 45 LYS N N 43 120.489 122.051 -1.562 1
1 559 . 6 1 1 A 46 46 ASN H H 44 8.657 8.093 0.564 1
1 560 . 6 1 1 A 46 46 ASN HA H 44 4.433 4.452 -0.019 1
1 565 . 6 1 1 A 46 46 ASN C C 44 175.970 177.484 -1.514 1
1 566 . 6 1 1 A 46 46 ASN CA C 44 55.457 56.185 -0.728 1
1 567 . 6 1 1 A 46 46 ASN CB C 44 37.507 38.730 -1.223 1
1 569 . 6 1 1 A 47 47 ASN H H 45 7.566 7.885 -0.319 1
1 570 . 6 1 1 A 47 47 ASN HA H 45 4.654 4.711 -0.057 1
1 575 . 6 1 1 A 47 47 ASN C C 45 175.461 175.182 0.279 1
1 576 . 6 1 1 A 47 47 ASN CA C 45 52.769 55.570 -2.801 1
1 577 . 6 1 1 A 47 47 ASN CB C 45 39.203 39.221 -0.018 1
1 578 . 6 1 1 A 47 47 ASN N N 45 115.277 117.150 -1.873 1
1 580 . 6 1 1 A 48 48 ASN H H 46 8.008 8.242 -0.234 1
1 581 . 6 1 1 A 48 48 ASN HA H 46 4.649 4.763 -0.114 1
1 586 . 6 1 1 A 48 48 ASN C C 46 174.812 174.183 0.629 1
1 587 . 6 1 1 A 48 48 ASN CA C 46 54.491 54.554 -0.063 1
1 588 . 6 1 1 A 48 48 ASN CB C 46 39.092 38.194 0.898 1
1 589 . 6 1 1 A 48 48 ASN N N 46 116.416 117.570 -1.154 1
1 591 . 6 1 1 A 49 49 ARG H H 47 7.918 7.823 0.095 1
1 592 . 6 1 1 A 49 49 ARG HA H 47 4.206 4.290 -0.084 1
1 599 . 6 1 1 A 49 49 ARG C C 47 175.719 175.178 0.541 1
1 600 . 6 1 1 A 49 49 ARG CA C 47 57.084 56.548 0.536 1
1 601 . 6 1 1 A 49 49 ARG CB C 47 31.785 31.116 0.669 1
1 604 . 6 1 1 A 49 49 ARG N N 47 120.017 120.349 -0.332 1
1 605 . 6 1 1 A 50 50 GLN H H 48 8.617 8.617 0.000 1
1 606 . 6 1 1 A 50 50 GLN HA H 48 5.212 5.135 0.077 1
1 613 . 6 1 1 A 50 50 GLN C C 48 175.697 175.235 0.462 1
1 614 . 6 1 1 A 50 50 GLN CA C 48 55.454 54.559 0.895 1
1 615 . 6 1 1 A 50 50 GLN CB C 48 30.953 30.596 0.357 1
1 617 . 6 1 1 A 50 50 GLN N N 48 123.029 122.513 0.516 1
1 619 . 6 1 1 A 51 51 VAL H H 49 9.009 9.293 -0.284 1
1 620 . 6 1 1 A 51 51 VAL HA H 49 4.747 4.928 -0.181 1
1 628 . 6 1 1 A 51 51 VAL C C 49 174.561 174.583 -0.022 1
1 629 . 6 1 1 A 51 51 VAL CA C 49 59.266 58.863 0.403 1
1 630 . 6 1 1 A 51 51 VAL CB C 49 35.845 35.294 0.551 1
1 633 . 6 1 1 A 51 51 VAL N N 49 119.358 119.350 0.008 1
1 634 . 6 1 1 A 52 52 CYS H H 50 8.850 8.580 0.270 1
1 635 . 6 1 1 A 52 52 CYS HA H 50 5.605 5.801 -0.196 1
1 638 . 6 1 1 A 52 52 CYS C C 50 174.469 172.666 1.803 1
1 639 . 6 1 1 A 52 52 CYS CA C 50 56.377 54.327 2.050 1
1 640 . 6 1 1 A 52 52 CYS CB C 50 44.694 44.306 0.388 1
1 641 . 6 1 1 A 52 52 CYS N N 50 120.834 119.066 1.768 1
1 642 . 6 1 1 A 53 53 ILE H H 51 8.656 9.561 -0.905 1
1 643 . 6 1 1 A 53 53 ILE HA H 51 4.461 4.788 -0.327 1
1 653 . 6 1 1 A 53 53 ILE C C 51 174.137 174.641 -0.504 1
1 654 . 6 1 1 A 53 53 ILE CA C 51 59.671 59.977 -0.306 1
1 655 . 6 1 1 A 53 53 ILE CB C 51 39.603 41.834 -2.231 1
1 659 . 6 1 1 A 53 53 ILE N N 51 122.740 124.152 -1.412 1
1 660 . 6 1 1 A 54 54 ASP H H 52 7.746 8.132 -0.386 1
1 661 . 6 1 1 A 54 54 ASP HA H 52 3.650 4.262 -0.612 1
1 664 . 6 1 1 A 54 54 ASP CA C 52 51.578 51.642 -0.064 1
1 665 . 6 1 1 A 54 54 ASP CB C 52 42.384 42.292 0.092 1
1 666 . 6 1 1 A 54 54 ASP N N 52 126.398 126.478 -0.080 1
1 667 . 6 1 1 A 55 55 PRO HA H 53 3.990 4.230 -0.240 1
1 674 . 6 1 1 A 55 55 PRO C C 53 176.274 177.440 -1.166 1
1 675 . 6 1 1 A 55 55 PRO CA C 53 63.546 63.963 -0.417 1
1 676 . 6 1 1 A 55 55 PRO CB C 53 32.272 31.633 0.639 1
1 679 . 6 1 1 A 56 56 LYS H H 54 8.054 7.769 0.285 1
1 680 . 6 1 1 A 56 56 LYS HA H 54 3.954 4.272 -0.318 1
1 689 . 6 1 1 A 56 56 LYS C C 54 177.867 176.637 1.230 1
1 690 . 6 1 1 A 56 56 LYS CA C 54 56.189 56.304 -0.115 1
1 691 . 6 1 1 A 56 56 LYS CB C 54 31.680 33.020 -1.340 1
1 695 . 6 1 1 A 56 56 LYS N N 54 115.161 116.137 -0.976 1
1 696 . 6 1 1 A 57 57 LEU H H 55 7.172 7.005 0.167 1
1 697 . 6 1 1 A 57 57 LEU HA H 55 4.021 4.156 -0.135 1
1 707 . 6 1 1 A 57 57 LEU C C 55 179.221 177.615 1.606 1
1 708 . 6 1 1 A 57 57 LEU CA C 55 55.781 55.267 0.514 1
1 709 . 6 1 1 A 57 57 LEU CB C 55 41.739 41.639 0.100 1
1 713 . 6 1 1 A 57 57 LEU N N 55 120.921 121.269 -0.348 1
1 714 . 6 1 1 A 58 58 LYS H H 56 8.753 8.815 -0.062 1
1 715 . 6 1 1 A 58 58 LYS HA H 56 3.898 3.938 -0.040 1
1 724 . 6 1 1 A 58 58 LYS C C 56 179.161 178.282 0.879 1
1 725 . 6 1 1 A 58 58 LYS CA C 56 60.318 59.538 0.780 1
1 726 . 6 1 1 A 58 58 LYS CB C 56 32.100 32.053 0.047 1
1 730 . 6 1 1 A 58 58 LYS N N 56 125.449 124.677 0.772 1
1 731 . 6 1 1 A 59 59 TRP H H 57 7.889 8.313 -0.424 1
1 732 . 6 1 1 A 59 59 TRP HA H 57 4.612 4.543 0.069 1
1 741 . 6 1 1 A 59 59 TRP C C 57 178.642 179.296 -0.654 1
1 742 . 6 1 1 A 59 59 TRP CA C 57 58.388 59.741 -1.353 1
1 743 . 6 1 1 A 59 59 TRP CB C 57 27.954 28.018 -0.064 1
1 749 . 6 1 1 A 59 59 TRP N N 57 113.858 119.187 -5.329 1
1 751 . 6 1 1 A 60 60 ILE H H 58 6.296 7.422 -1.126 1
1 752 . 6 1 1 A 60 60 ILE HA H 58 3.627 3.387 0.240 1
1 762 . 6 1 1 A 60 60 ILE C C 58 177.104 177.644 -0.540 1
1 763 . 6 1 1 A 60 60 ILE CA C 58 61.605 64.349 -2.744 1
1 764 . 6 1 1 A 60 60 ILE CB C 58 36.043 36.206 -0.163 1
1 768 . 6 1 1 A 60 60 ILE N N 58 123.265 122.166 1.099 1
1 769 . 6 1 1 A 61 61 GLN H H 59 7.650 8.440 -0.790 1
1 770 . 6 1 1 A 61 61 GLN HA H 59 3.811 3.882 -0.071 1
1 777 . 6 1 1 A 61 61 GLN C C 59 178.933 179.260 -0.327 1
1 778 . 6 1 1 A 61 61 GLN CA C 59 59.663 59.060 0.603 1
1 779 . 6 1 1 A 61 61 GLN CB C 59 27.972 28.679 -0.707 1
1 781 . 6 1 1 A 61 61 GLN N N 59 120.850 119.011 1.839 1
1 783 . 6 1 1 A 62 62 GLU H H 60 8.057 8.460 -0.403 1
1 784 . 6 1 1 A 62 62 GLU HA H 60 4.081 4.096 -0.015 1
1 789 . 6 1 1 A 62 62 GLU C C 60 178.539 178.632 -0.093 1
1 790 . 6 1 1 A 62 62 GLU CA C 60 59.152 59.234 -0.082 1
1 791 . 6 1 1 A 62 62 GLU CB C 60 29.896 29.648 0.248 1
1 793 . 6 1 1 A 62 62 GLU N N 60 117.976 120.819 -2.843 1
1 794 . 6 1 1 A 63 63 TYR H H 61 8.004 8.435 -0.431 1
1 795 . 6 1 1 A 63 63 TYR HA H 61 4.216 4.207 0.009 1
1 802 . 6 1 1 A 63 63 TYR C C 61 178.157 176.908 1.249 1
1 803 . 6 1 1 A 63 63 TYR CA C 61 61.281 61.401 -0.120 1
1 804 . 6 1 1 A 63 63 TYR CB C 61 38.956 38.854 0.102 1
1 807 . 6 1 1 A 63 63 TYR N N 61 120.743 122.240 -1.497 1
1 808 . 6 1 1 A 64 64 LEU H H 62 8.460 8.623 -0.163 1
1 809 . 6 1 1 A 64 64 LEU HA H 62 3.850 3.610 0.240 1
1 819 . 6 1 1 A 64 64 LEU C C 62 178.678 178.971 -0.293 1
1 820 . 6 1 1 A 64 64 LEU CA C 62 57.619 57.610 0.009 1
1 821 . 6 1 1 A 64 64 LEU CB C 62 41.868 41.010 0.858 1
1 825 . 6 1 1 A 64 64 LEU N N 62 119.052 119.322 -0.270 1
1 826 . 6 1 1 A 65 65 GLU H H 63 7.850 9.009 -1.159 1
1 827 . 6 1 1 A 65 65 GLU HA H 63 3.974 3.868 0.106 1
1 832 . 6 1 1 A 65 65 GLU C C 63 178.447 178.926 -0.479 1
1 833 . 6 1 1 A 65 65 GLU CA C 63 59.143 59.956 -0.813 1
1 834 . 6 1 1 A 65 65 GLU CB C 63 29.721 29.262 0.459 1
1 836 . 6 1 1 A 65 65 GLU N N 63 118.310 118.458 -0.148 1
1 837 . 6 1 1 A 66 66 LYS H H 64 7.648 8.037 -0.389 1
1 838 . 6 1 1 A 66 66 LYS HA H 64 4.156 3.961 0.195 1
1 847 . 6 1 1 A 66 66 LYS C C 64 177.941 178.690 -0.749 1
1 848 . 6 1 1 A 66 66 LYS CA C 64 57.820 59.552 -1.732 1
1 849 . 6 1 1 A 66 66 LYS CB C 64 32.620 32.420 0.200 1
1 853 . 6 1 1 A 66 66 LYS N N 64 117.638 121.032 -3.394 1
1 854 . 6 1 1 A 67 67 ALA H H 65 8.004 7.988 0.016 1
1 855 . 6 1 1 A 67 67 ALA HA H 65 4.068 3.992 0.076 1
1 859 . 6 1 1 A 67 67 ALA C C 65 178.624 179.942 -1.318 1
1 860 . 6 1 1 A 67 67 ALA CA C 65 53.790 54.695 -0.905 1
1 861 . 6 1 1 A 67 67 ALA CB C 65 19.082 18.210 0.872 1
1 862 . 6 1 1 A 67 67 ALA N N 65 121.228 120.319 0.909 1
1 863 . 6 1 1 A 68 68 LEU H H 66 7.791 8.296 -0.505 1
1 864 . 6 1 1 A 68 68 LEU HA H 66 4.274 4.030 0.244 1
1 874 . 6 1 1 A 68 68 LEU CA C 66 55.593 56.856 -1.263 1
1 875 . 6 1 1 A 68 68 LEU CB C 66 42.329 41.856 0.473 1
1 878 . 6 1 1 A 68 68 LEU N N 66 116.882 119.595 -2.713 1
1 879 . 6 1 1 A 69 69 ASN H H 67 7.914 7.868 0.046 1
1 880 . 6 1 1 A 69 69 ASN HA H 67 4.803 4.586 0.217 1
1 885 . 6 1 1 A 69 69 ASN C C 67 174.039 177.437 -3.398 1
1 886 . 6 1 1 A 69 69 ASN CA C 67 53.434 55.303 -1.869 1
1 887 . 6 1 1 A 69 69 ASN CB C 67 39.601 38.644 0.957 1
1 888 . 6 1 1 A 69 69 ASN N N 67 118.309 117.915 0.394 1
1 18 . 7 1 1 A 4 4 PRO HA H 2 4.416 4.870 -0.454 1
1 25 . 7 1 1 A 4 4 PRO C C 2 176.996 176.755 0.241 1
1 26 . 7 1 1 A 4 4 PRO CA C 2 63.494 62.376 1.118 1
1 27 . 7 1 1 A 4 4 PRO CB C 2 32.161 31.813 0.348 1
1 30 . 7 1 1 A 5 5 VAL H H 3 8.227 8.366 -0.139 1
1 31 . 7 1 1 A 5 5 VAL HA H 3 4.058 4.717 -0.659 1
1 39 . 7 1 1 A 5 5 VAL C C 3 176.376 174.695 1.681 1
1 40 . 7 1 1 A 5 5 VAL CA C 3 62.495 59.785 2.710 1
1 41 . 7 1 1 A 5 5 VAL CB C 3 32.808 33.418 -0.610 1
1 43 . 7 1 1 A 5 5 VAL N N 3 121.008 117.560 3.448 1
1 44 . 7 1 1 A 6 6 SER H H 4 8.270 9.057 -0.787 1
1 45 . 7 1 1 A 6 6 SER HA H 4 4.409 5.100 -0.691 1
1 48 . 7 1 1 A 6 6 SER C C 4 174.577 172.543 2.034 1
1 49 . 7 1 1 A 6 6 SER CA C 4 58.148 56.532 1.616 1
1 50 . 7 1 1 A 6 6 SER CB C 4 63.870 65.158 -1.288 1
1 51 . 7 1 1 A 6 6 SER N N 4 119.573 119.603 -0.030 1
1 52 . 7 1 1 A 7 7 LEU H H 5 8.273 8.979 -0.706 1
1 53 . 7 1 1 A 7 7 LEU HA H 5 4.320 4.588 -0.268 1
1 63 . 7 1 1 A 7 7 LEU C C 5 177.341 176.691 0.650 1
1 64 . 7 1 1 A 7 7 LEU CA C 5 55.388 54.281 1.107 1
1 65 . 7 1 1 A 7 7 LEU CB C 5 42.650 41.467 1.183 1
1 68 . 7 1 1 A 7 7 LEU N N 5 125.039 129.794 -4.755 1
1 69 . 7 1 1 A 8 8 SER H H 6 8.127 8.197 -0.070 1
1 70 . 7 1 1 A 8 8 SER HA H 6 4.335 4.691 -0.356 1
1 73 . 7 1 1 A 8 8 SER C C 6 174.189 173.209 0.980 1
1 74 . 7 1 1 A 8 8 SER CA C 6 58.433 57.735 0.698 1
1 75 . 7 1 1 A 8 8 SER CB C 6 63.870 63.264 0.606 1
1 76 . 7 1 1 A 8 8 SER N N 6 116.154 122.620 -6.466 1
1 77 . 7 1 1 A 9 9 TYR H H 7 7.971 7.683 0.288 1
1 78 . 7 1 1 A 9 9 TYR HA H 7 4.502 4.881 -0.379 1
1 85 . 7 1 1 A 9 9 TYR C C 7 175.520 176.143 -0.623 1
1 86 . 7 1 1 A 9 9 TYR CA C 7 58.008 57.336 0.672 1
1 87 . 7 1 1 A 9 9 TYR CB C 7 38.956 40.642 -1.686 1
1 90 . 7 1 1 A 9 9 TYR N N 7 122.213 121.900 0.313 1
1 91 . 7 1 1 A 10 10 ARG H H 8 8.118 8.805 -0.687 1
1 92 . 7 1 1 A 10 10 ARG HA H 8 4.253 4.159 0.094 1
1 99 . 7 1 1 A 10 10 ARG C C 8 175.918 176.043 -0.125 1
1 100 . 7 1 1 A 10 10 ARG CA C 8 56.104 57.630 -1.526 1
1 101 . 7 1 1 A 10 10 ARG CB C 8 30.875 30.236 0.639 1
1 104 . 7 1 1 A 10 10 ARG N N 8 122.182 120.138 2.044 1
1 105 . 7 1 1 A 11 11 CYS H H 9 8.097 7.887 0.210 1
1 106 . 7 1 1 A 11 11 CYS HA H 9 4.909 5.026 -0.117 1
1 109 . 7 1 1 A 11 11 CYS C C 9 173.615 173.631 -0.016 1
1 110 . 7 1 1 A 11 11 CYS CA C 9 53.127 53.567 -0.440 1
1 111 . 7 1 1 A 11 11 CYS CB C 9 40.218 44.452 -4.234 1
1 112 . 7 1 1 A 11 11 CYS N N 9 121.280 118.850 2.430 1
1 113 . 7 1 1 A 12 12 PRO HA H 10 4.275 4.226 0.049 1
1 120 . 7 1 1 A 12 12 PRO C C 10 177.703 176.562 1.141 1
1 121 . 7 1 1 A 12 12 PRO CA C 10 64.859 65.356 -0.497 1
1 122 . 7 1 1 A 12 12 PRO CB C 10 32.508 31.527 0.981 1
1 125 . 7 1 1 A 13 13 CYS H H 11 8.248 7.915 0.333 1
1 126 . 7 1 1 A 13 13 CYS HA H 11 4.827 4.462 0.365 1
1 129 . 7 1 1 A 13 13 CYS C C 11 174.202 171.712 2.490 1
1 130 . 7 1 1 A 13 13 CYS CA C 11 53.429 55.175 -1.746 1
1 131 . 7 1 1 A 13 13 CYS CB C 11 39.603 45.356 -5.753 1
1 132 . 7 1 1 A 13 13 CYS N N 11 114.161 113.416 0.745 1
1 133 . 7 1 1 A 14 14 ARG HA H 12 3.984 4.242 -0.258 1
1 140 . 7 1 1 A 14 14 ARG C C 12 175.202 174.929 0.273 1
1 141 . 7 1 1 A 14 14 ARG CA C 12 57.293 55.820 1.473 1
1 142 . 7 1 1 A 14 14 ARG CB C 12 31.098 32.689 -1.591 1
1 145 . 7 1 1 A 15 15 PHE H H 13 7.524 7.530 -0.006 1
1 146 . 7 1 1 A 15 15 PHE HA H 13 4.488 4.844 -0.356 1
1 154 . 7 1 1 A 15 15 PHE C C 13 174.226 174.756 -0.530 1
1 155 . 7 1 1 A 15 15 PHE CA C 13 55.971 55.969 0.002 1
1 156 . 7 1 1 A 15 15 PHE CB C 13 41.059 41.040 0.019 1
1 160 . 7 1 1 A 15 15 PHE N N 13 116.175 116.198 -0.023 1
1 161 . 7 1 1 A 16 16 PHE H H 14 8.309 9.093 -0.784 1
1 162 . 7 1 1 A 16 16 PHE HA H 14 4.794 5.040 -0.246 1
1 170 . 7 1 1 A 16 16 PHE C C 14 175.247 175.522 -0.275 1
1 171 . 7 1 1 A 16 16 PHE CA C 14 55.559 56.223 -0.664 1
1 172 . 7 1 1 A 16 16 PHE CB C 14 41.220 42.877 -1.657 1
1 176 . 7 1 1 A 16 16 PHE N N 14 119.656 121.512 -1.856 1
1 177 . 7 1 1 A 17 17 GLU H H 15 8.904 9.686 -0.782 1
1 178 . 7 1 1 A 17 17 GLU HA H 15 4.525 4.676 -0.151 1
1 183 . 7 1 1 A 17 17 GLU C C 15 176.747 176.394 0.353 1
1 184 . 7 1 1 A 17 17 GLU CA C 15 56.012 57.043 -1.031 1
1 185 . 7 1 1 A 17 17 GLU CB C 15 30.894 30.320 0.574 1
1 187 . 7 1 1 A 17 17 GLU N N 15 122.929 122.694 0.235 1
1 188 . 7 1 1 A 18 18 SER H H 16 8.752 8.786 -0.034 1
1 189 . 7 1 1 A 18 18 SER HA H 16 4.708 4.711 -0.003 1
1 192 . 7 1 1 A 18 18 SER C C 16 174.278 174.010 0.268 1
1 193 . 7 1 1 A 18 18 SER CA C 16 59.799 58.388 1.411 1
1 194 . 7 1 1 A 18 18 SER CB C 16 64.023 63.700 0.323 1
1 195 . 7 1 1 A 18 18 SER N N 16 119.679 119.784 -0.105 1
1 196 . 7 1 1 A 19 19 HIS H H 17 9.044 7.799 1.245 1
1 197 . 7 1 1 A 19 19 HIS HA H 17 4.873 4.946 -0.073 1
1 202 . 7 1 1 A 19 19 HIS C C 17 174.580 174.884 -0.304 1
1 203 . 7 1 1 A 19 19 HIS CA C 17 56.240 55.581 0.659 1
1 204 . 7 1 1 A 19 19 HIS CB C 17 28.272 30.210 -1.938 1
1 207 . 7 1 1 A 19 19 HIS N N 17 120.269 118.431 1.838 1
1 208 . 7 1 1 A 20 20 VAL H H 18 7.212 7.349 -0.137 1
1 209 . 7 1 1 A 20 20 VAL HA H 18 4.226 4.049 0.177 1
1 217 . 7 1 1 A 20 20 VAL C C 18 174.138 175.435 -1.297 1
1 218 . 7 1 1 A 20 20 VAL CA C 18 61.605 63.057 -1.452 1
1 219 . 7 1 1 A 20 20 VAL CB C 18 34.102 32.847 1.255 1
1 221 . 7 1 1 A 20 20 VAL N N 18 119.528 120.746 -1.218 1
1 222 . 7 1 1 A 21 21 ALA H H 19 8.553 8.100 0.453 1
1 223 . 7 1 1 A 21 21 ALA HA H 19 4.340 4.519 -0.179 1
1 227 . 7 1 1 A 21 21 ALA C C 19 177.514 177.491 0.023 1
1 228 . 7 1 1 A 21 21 ALA CA C 19 50.666 50.383 0.283 1
1 229 . 7 1 1 A 21 21 ALA CB C 19 19.660 20.758 -1.098 1
1 230 . 7 1 1 A 21 21 ALA N N 19 131.180 128.389 2.791 1
1 231 . 7 1 1 A 22 22 ARG H H 20 7.726 8.208 -0.482 1
1 232 . 7 1 1 A 22 22 ARG HA H 20 2.590 3.006 -0.416 1
1 239 . 7 1 1 A 22 22 ARG C C 20 178.531 177.074 1.457 1
1 240 . 7 1 1 A 22 22 ARG CA C 20 59.155 58.297 0.858 1
1 241 . 7 1 1 A 22 22 ARG CB C 20 29.167 29.369 -0.202 1
1 244 . 7 1 1 A 22 22 ARG N N 20 124.436 122.903 1.533 1
1 245 . 7 1 1 A 23 23 ALA H H 21 8.150 7.548 0.602 1
1 246 . 7 1 1 A 23 23 ALA HA H 21 4.019 4.128 -0.109 1
1 250 . 7 1 1 A 23 23 ALA C C 21 177.743 178.121 -0.378 1
1 251 . 7 1 1 A 23 23 ALA CA C 21 53.809 53.268 0.541 1
1 252 . 7 1 1 A 23 23 ALA CB C 21 18.688 18.683 0.005 1
1 253 . 7 1 1 A 23 23 ALA N N 21 117.354 120.638 -3.284 1
1 254 . 7 1 1 A 24 24 ASN H H 22 7.706 7.547 0.159 1
1 255 . 7 1 1 A 24 24 ASN HA H 22 4.906 4.758 0.148 1
1 260 . 7 1 1 A 24 24 ASN C C 22 174.889 175.074 -0.185 1
1 261 . 7 1 1 A 24 24 ASN CA C 22 52.590 53.396 -0.806 1
1 262 . 7 1 1 A 24 24 ASN CB C 22 40.335 39.219 1.116 1
1 263 . 7 1 1 A 24 24 ASN N N 22 112.797 115.449 -2.652 1
1 265 . 7 1 1 A 25 25 VAL H H 23 7.457 7.349 0.108 1
1 266 . 7 1 1 A 25 25 VAL HA H 23 4.326 4.310 0.016 1
1 274 . 7 1 1 A 25 25 VAL C C 23 174.594 176.213 -1.619 1
1 275 . 7 1 1 A 25 25 VAL CA C 23 62.406 60.198 2.208 1
1 276 . 7 1 1 A 25 25 VAL CB C 23 33.445 33.554 -0.109 1
1 278 . 7 1 1 A 25 25 VAL N N 23 118.772 119.298 -0.526 1
1 279 . 7 1 1 A 26 26 LYS H H 24 9.261 9.272 -0.011 1
1 280 . 7 1 1 A 26 26 LYS HA H 24 4.406 4.443 -0.037 1
1 289 . 7 1 1 A 26 26 LYS C C 24 175.247 176.472 -1.225 1
1 290 . 7 1 1 A 26 26 LYS CA C 24 56.483 57.266 -0.783 1
1 291 . 7 1 1 A 26 26 LYS CB C 24 35.023 33.489 1.534 1
1 295 . 7 1 1 A 26 26 LYS N N 24 125.197 123.896 1.301 1
1 296 . 7 1 1 A 27 27 HIS H H 25 7.811 7.066 0.745 1
1 297 . 7 1 1 A 27 27 HIS HA H 25 4.627 4.907 -0.280 1
1 302 . 7 1 1 A 27 27 HIS C C 25 173.157 172.598 0.559 1
1 303 . 7 1 1 A 27 27 HIS CA C 25 55.463 55.963 -0.500 1
1 304 . 7 1 1 A 27 27 HIS CB C 25 31.832 32.823 -0.991 1
1 307 . 7 1 1 A 27 27 HIS N N 25 115.509 118.145 -2.636 1
1 308 . 7 1 1 A 28 28 LEU H H 26 8.311 8.954 -0.643 1
1 309 . 7 1 1 A 28 28 LEU HA H 26 4.991 4.817 0.174 1
1 319 . 7 1 1 A 28 28 LEU C C 26 175.514 175.102 0.412 1
1 320 . 7 1 1 A 28 28 LEU CA C 26 54.662 52.945 1.717 1
1 321 . 7 1 1 A 28 28 LEU CB C 26 45.594 43.261 2.333 1
1 325 . 7 1 1 A 29 29 LYS H H 27 9.003 9.541 -0.538 1
1 326 . 7 1 1 A 29 29 LYS HA H 27 4.578 4.858 -0.280 1
1 335 . 7 1 1 A 29 29 LYS C C 27 173.758 174.740 -0.982 1
1 336 . 7 1 1 A 29 29 LYS CA C 27 54.945 54.666 0.279 1
1 337 . 7 1 1 A 29 29 LYS CB C 27 36.358 33.962 2.396 1
1 341 . 7 1 1 A 29 29 LYS N N 27 122.740 125.122 -2.382 1
1 342 . 7 1 1 A 30 30 ILE H H 28 8.526 8.949 -0.423 1
1 343 . 7 1 1 A 30 30 ILE HA H 28 4.623 4.984 -0.361 1
1 353 . 7 1 1 A 30 30 ILE C C 28 175.988 174.303 1.685 1
1 354 . 7 1 1 A 30 30 ILE CA C 28 60.122 59.727 0.395 1
1 355 . 7 1 1 A 30 30 ILE CB C 28 38.795 38.271 0.524 1
1 359 . 7 1 1 A 30 30 ILE N N 28 123.517 127.729 -4.212 1
1 360 . 7 1 1 A 31 31 LEU H H 29 8.910 9.667 -0.757 1
1 361 . 7 1 1 A 31 31 LEU HA H 29 4.553 5.127 -0.574 1
1 371 . 7 1 1 A 31 31 LEU C C 29 176.005 175.341 0.664 1
1 372 . 7 1 1 A 31 31 LEU CA C 29 53.975 53.551 0.424 1
1 373 . 7 1 1 A 31 31 LEU CB C 29 43.485 44.928 -1.443 1
1 376 . 7 1 1 A 31 31 LEU N N 29 128.881 130.017 -1.136 1
1 377 . 7 1 1 A 32 32 ASN H H 30 8.710 8.978 -0.268 1
1 378 . 7 1 1 A 32 32 ASN HA H 30 4.954 5.440 -0.486 1
1 383 . 7 1 1 A 32 32 ASN C C 30 174.462 174.612 -0.150 1
1 384 . 7 1 1 A 32 32 ASN CA C 30 52.413 51.690 0.723 1
1 385 . 7 1 1 A 32 32 ASN CB C 30 39.232 39.725 -0.493 1
1 386 . 7 1 1 A 32 32 ASN N N 30 124.019 124.847 -0.828 1
1 388 . 7 1 1 A 33 33 THR H H 31 8.094 8.867 -0.773 1
1 389 . 7 1 1 A 33 33 THR HA H 31 4.628 4.722 -0.094 1
1 394 . 7 1 1 A 33 33 THR CA C 31 59.475 59.271 0.204 1
1 395 . 7 1 1 A 33 33 THR CB C 31 70.459 71.156 -0.697 1
1 397 . 7 1 1 A 33 33 THR N N 31 118.961 118.127 0.834 1
1 398 . 7 1 1 A 34 34 PRO HA H 32 4.206 4.272 -0.066 1
1 405 . 7 1 1 A 34 34 PRO C C 32 176.814 177.861 -1.047 1
1 406 . 7 1 1 A 34 34 PRO CA C 32 64.445 65.739 -1.294 1
1 407 . 7 1 1 A 34 34 PRO CB C 32 32.170 31.776 0.394 1
1 410 . 7 1 1 A 35 35 ASN H H 33 8.504 8.481 0.023 1
1 411 . 7 1 1 A 35 35 ASN HA H 33 4.342 4.631 -0.289 1
1 416 . 7 1 1 A 35 35 ASN C C 33 174.344 176.676 -2.332 1
1 417 . 7 1 1 A 35 35 ASN CA C 33 54.945 54.968 -0.023 1
1 418 . 7 1 1 A 35 35 ASN CB C 33 38.122 38.922 -0.800 1
1 419 . 7 1 1 A 35 35 ASN N N 33 113.042 114.299 -1.257 1
1 421 . 7 1 1 A 36 36 CYS H H 34 7.526 7.947 -0.421 1
1 422 . 7 1 1 A 36 36 CYS HA H 34 4.878 4.626 0.252 1
1 425 . 7 1 1 A 36 36 CYS C C 34 173.880 174.197 -0.317 1
1 426 . 7 1 1 A 36 36 CYS CA C 34 54.622 55.844 -1.222 1
1 427 . 7 1 1 A 36 36 CYS CB C 34 44.780 42.476 2.304 1
1 428 . 7 1 1 A 36 36 CYS N N 34 116.301 114.057 2.244 1
1 429 . 7 1 1 A 37 37 ALA H H 35 8.395 7.611 0.784 1
1 430 . 7 1 1 A 37 37 ALA HA H 35 4.205 4.031 0.174 1
1 434 . 7 1 1 A 37 37 ALA C C 35 176.677 177.050 -0.373 1
1 435 . 7 1 1 A 37 37 ALA CA C 35 52.413 54.281 -1.868 1
1 436 . 7 1 1 A 37 37 ALA CB C 35 18.968 17.798 1.170 1
1 437 . 7 1 1 A 37 37 ALA N N 35 125.001 122.937 2.064 1
1 438 . 7 1 1 A 38 38 LEU H H 36 8.004 8.254 -0.250 1
1 439 . 7 1 1 A 38 38 LEU HA H 36 4.206 4.546 -0.340 1
1 449 . 7 1 1 A 38 38 LEU C C 36 176.194 175.975 0.219 1
1 450 . 7 1 1 A 38 38 LEU CA C 36 56.563 54.066 2.497 1
1 451 . 7 1 1 A 38 38 LEU CB C 36 42.465 42.317 0.148 1
1 455 . 7 1 1 A 38 38 LEU N N 36 121.548 118.142 3.406 1
1 456 . 7 1 1 A 39 39 GLN H H 37 8.471 9.284 -0.813 1
1 457 . 7 1 1 A 39 39 GLN HA H 37 4.621 4.933 -0.312 1
1 464 . 7 1 1 A 39 39 GLN C C 37 173.581 174.642 -1.061 1
1 465 . 7 1 1 A 39 39 GLN CA C 37 54.172 54.672 -0.500 1
1 466 . 7 1 1 A 39 39 GLN CB C 37 32.461 30.786 1.675 1
1 468 . 7 1 1 A 39 39 GLN N N 37 123.271 122.281 0.990 1
1 470 . 7 1 1 A 40 40 ILE H H 38 9.429 9.023 0.406 1
1 471 . 7 1 1 A 40 40 ILE HA H 38 4.718 4.780 -0.062 1
1 481 . 7 1 1 A 40 40 ILE C C 38 174.547 175.435 -0.888 1
1 482 . 7 1 1 A 40 40 ILE CA C 38 60.122 59.922 0.200 1
1 483 . 7 1 1 A 40 40 ILE CB C 38 38.899 38.176 0.723 1
1 487 . 7 1 1 A 40 40 ILE N N 38 124.702 125.399 -0.697 1
1 488 . 7 1 1 A 41 41 VAL H H 39 8.872 9.364 -0.492 1
1 489 . 7 1 1 A 41 41 VAL HA H 39 5.027 5.044 -0.017 1
1 497 . 7 1 1 A 41 41 VAL C C 39 174.772 174.713 0.059 1
1 498 . 7 1 1 A 41 41 VAL CA C 39 60.111 61.180 -1.069 1
1 499 . 7 1 1 A 41 41 VAL CB C 39 34.767 33.291 1.476 1
1 501 . 7 1 1 A 41 41 VAL N N 39 124.441 128.885 -4.444 1
1 502 . 7 1 1 A 42 42 ALA H H 40 9.305 9.424 -0.119 1
1 503 . 7 1 1 A 42 42 ALA HA H 40 5.289 5.388 -0.099 1
1 507 . 7 1 1 A 42 42 ALA C C 40 175.955 175.244 0.711 1
1 508 . 7 1 1 A 42 42 ALA CA C 40 50.093 50.371 -0.278 1
1 509 . 7 1 1 A 42 42 ALA CB C 40 24.063 22.925 1.138 1
1 510 . 7 1 1 A 42 42 ALA N N 40 126.567 129.147 -2.580 1
1 511 . 7 1 1 A 43 43 ARG H H 41 8.393 8.676 -0.283 1
1 512 . 7 1 1 A 43 43 ARG HA H 41 5.119 5.192 -0.073 1
1 519 . 7 1 1 A 43 43 ARG C C 41 176.184 175.680 0.504 1
1 520 . 7 1 1 A 43 43 ARG CA C 41 53.900 55.154 -1.254 1
1 521 . 7 1 1 A 43 43 ARG CB C 41 32.306 32.303 0.003 1
1 524 . 7 1 1 A 43 43 ARG N N 41 118.991 122.422 -3.431 1
1 525 . 7 1 1 A 44 44 LEU H H 42 9.010 9.078 -0.068 1
1 526 . 7 1 1 A 44 44 LEU HA H 42 4.934 4.863 0.071 1
1 536 . 7 1 1 A 44 44 LEU C C 42 178.369 177.585 0.784 1
1 537 . 7 1 1 A 44 44 LEU CA C 42 54.329 54.068 0.261 1
1 538 . 7 1 1 A 44 44 LEU CB C 42 41.497 42.529 -1.032 1
1 542 . 7 1 1 A 44 44 LEU N N 42 125.764 124.503 1.261 1
1 543 . 7 1 1 A 45 45 LYS H H 43 8.474 9.750 -1.276 1
1 544 . 7 1 1 A 45 45 LYS HA H 43 3.821 3.923 -0.102 1
1 553 . 7 1 1 A 45 45 LYS CA C 43 59.340 59.665 -0.325 1
1 554 . 7 1 1 A 45 45 LYS CB C 43 33.445 32.816 0.629 1
1 558 . 7 1 1 A 45 45 LYS N N 43 120.489 122.425 -1.936 1
1 559 . 7 1 1 A 46 46 ASN H H 44 8.657 7.726 0.931 1
1 560 . 7 1 1 A 46 46 ASN HA H 44 4.433 4.565 -0.132 1
1 565 . 7 1 1 A 46 46 ASN C C 44 175.970 176.805 -0.835 1
1 566 . 7 1 1 A 46 46 ASN CA C 44 55.457 55.550 -0.093 1
1 567 . 7 1 1 A 46 46 ASN CB C 44 37.507 38.326 -0.819 1
1 569 . 7 1 1 A 47 47 ASN H H 45 7.566 7.831 -0.265 1
1 570 . 7 1 1 A 47 47 ASN HA H 45 4.654 4.770 -0.116 1
1 575 . 7 1 1 A 47 47 ASN C C 45 175.461 175.023 0.438 1
1 576 . 7 1 1 A 47 47 ASN CA C 45 52.769 54.643 -1.874 1
1 577 . 7 1 1 A 47 47 ASN CB C 45 39.203 39.218 -0.015 1
1 578 . 7 1 1 A 47 47 ASN N N 45 115.277 115.650 -0.373 1
1 580 . 7 1 1 A 48 48 ASN H H 46 8.008 7.739 0.269 1
1 581 . 7 1 1 A 48 48 ASN HA H 46 4.649 4.640 0.009 1
1 586 . 7 1 1 A 48 48 ASN C C 46 174.812 174.546 0.266 1
1 587 . 7 1 1 A 48 48 ASN CA C 46 54.491 54.722 -0.231 1
1 588 . 7 1 1 A 48 48 ASN CB C 46 39.092 36.926 2.166 1
1 589 . 7 1 1 A 48 48 ASN N N 46 116.416 116.024 0.392 1
1 591 . 7 1 1 A 49 49 ARG H H 47 7.918 7.859 0.059 1
1 592 . 7 1 1 A 49 49 ARG HA H 47 4.206 4.314 -0.108 1
1 599 . 7 1 1 A 49 49 ARG C C 47 175.719 175.036 0.683 1
1 600 . 7 1 1 A 49 49 ARG CA C 47 57.084 56.209 0.875 1
1 601 . 7 1 1 A 49 49 ARG CB C 47 31.785 31.091 0.694 1
1 604 . 7 1 1 A 49 49 ARG N N 47 120.017 119.183 0.834 1
1 605 . 7 1 1 A 50 50 GLN H H 48 8.617 8.605 0.012 1
1 606 . 7 1 1 A 50 50 GLN HA H 48 5.212 5.076 0.136 1
1 613 . 7 1 1 A 50 50 GLN C C 48 175.697 175.250 0.447 1
1 614 . 7 1 1 A 50 50 GLN CA C 48 55.454 54.573 0.881 1
1 615 . 7 1 1 A 50 50 GLN CB C 48 30.953 30.611 0.342 1
1 617 . 7 1 1 A 50 50 GLN N N 48 123.029 122.567 0.462 1
1 619 . 7 1 1 A 51 51 VAL H H 49 9.009 9.215 -0.206 1
1 620 . 7 1 1 A 51 51 VAL HA H 49 4.747 4.947 -0.200 1
1 628 . 7 1 1 A 51 51 VAL C C 49 174.561 174.662 -0.101 1
1 629 . 7 1 1 A 51 51 VAL CA C 49 59.266 58.763 0.503 1
1 630 . 7 1 1 A 51 51 VAL CB C 49 35.845 35.718 0.127 1
1 633 . 7 1 1 A 51 51 VAL N N 49 119.358 119.178 0.180 1
1 634 . 7 1 1 A 52 52 CYS H H 50 8.850 8.762 0.088 1
1 635 . 7 1 1 A 52 52 CYS HA H 50 5.605 5.891 -0.286 1
1 638 . 7 1 1 A 52 52 CYS C C 50 174.469 172.345 2.124 1
1 639 . 7 1 1 A 52 52 CYS CA C 50 56.377 54.756 1.621 1
1 640 . 7 1 1 A 52 52 CYS CB C 50 44.694 45.101 -0.407 1
1 641 . 7 1 1 A 52 52 CYS N N 50 120.834 119.037 1.797 1
1 642 . 7 1 1 A 53 53 ILE H H 51 8.656 9.457 -0.801 1
1 643 . 7 1 1 A 53 53 ILE HA H 51 4.461 4.780 -0.319 1
1 653 . 7 1 1 A 53 53 ILE C C 51 174.137 174.697 -0.560 1
1 654 . 7 1 1 A 53 53 ILE CA C 51 59.671 59.932 -0.261 1
1 655 . 7 1 1 A 53 53 ILE CB C 51 39.603 41.921 -2.318 1
1 659 . 7 1 1 A 53 53 ILE N N 51 122.740 124.065 -1.325 1
1 660 . 7 1 1 A 54 54 ASP H H 52 7.746 8.213 -0.467 1
1 661 . 7 1 1 A 54 54 ASP HA H 52 3.650 4.333 -0.683 1
1 664 . 7 1 1 A 54 54 ASP CA C 52 51.578 51.685 -0.107 1
1 665 . 7 1 1 A 54 54 ASP CB C 52 42.384 42.169 0.215 1
1 666 . 7 1 1 A 54 54 ASP N N 52 126.398 126.471 -0.073 1
1 667 . 7 1 1 A 55 55 PRO HA H 53 3.990 4.190 -0.200 1
1 674 . 7 1 1 A 55 55 PRO C C 53 176.274 177.061 -0.787 1
1 675 . 7 1 1 A 55 55 PRO CA C 53 63.546 64.430 -0.884 1
1 676 . 7 1 1 A 55 55 PRO CB C 53 32.272 31.868 0.404 1
1 679 . 7 1 1 A 56 56 LYS H H 54 8.054 8.185 -0.131 1
1 680 . 7 1 1 A 56 56 LYS HA H 54 3.954 4.232 -0.278 1
1 689 . 7 1 1 A 56 56 LYS C C 54 177.867 176.595 1.272 1
1 690 . 7 1 1 A 56 56 LYS CA C 54 56.189 56.260 -0.071 1
1 691 . 7 1 1 A 56 56 LYS CB C 54 31.680 32.037 -0.357 1
1 695 . 7 1 1 A 56 56 LYS N N 54 115.161 115.417 -0.256 1
1 696 . 7 1 1 A 57 57 LEU H H 55 7.172 6.790 0.382 1
1 697 . 7 1 1 A 57 57 LEU HA H 55 4.021 4.143 -0.122 1
1 707 . 7 1 1 A 57 57 LEU C C 55 179.221 177.564 1.657 1
1 708 . 7 1 1 A 57 57 LEU CA C 55 55.781 55.225 0.556 1
1 709 . 7 1 1 A 57 57 LEU CB C 55 41.739 41.894 -0.155 1
1 713 . 7 1 1 A 57 57 LEU N N 55 120.921 122.995 -2.074 1
1 714 . 7 1 1 A 58 58 LYS H H 56 8.753 8.875 -0.122 1
1 715 . 7 1 1 A 58 58 LYS HA H 56 3.898 3.943 -0.045 1
1 724 . 7 1 1 A 58 58 LYS C C 56 179.161 178.345 0.816 1
1 725 . 7 1 1 A 58 58 LYS CA C 56 60.318 59.516 0.802 1
1 726 . 7 1 1 A 58 58 LYS CB C 56 32.100 32.049 0.051 1
1 730 . 7 1 1 A 58 58 LYS N N 56 125.449 124.237 1.212 1
1 731 . 7 1 1 A 59 59 TRP H H 57 7.889 8.341 -0.452 1
1 732 . 7 1 1 A 59 59 TRP HA H 57 4.612 4.800 -0.188 1
1 741 . 7 1 1 A 59 59 TRP C C 57 178.642 179.267 -0.625 1
1 742 . 7 1 1 A 59 59 TRP CA C 57 58.388 59.732 -1.344 1
1 743 . 7 1 1 A 59 59 TRP CB C 57 27.954 28.048 -0.094 1
1 749 . 7 1 1 A 59 59 TRP N N 57 113.858 119.235 -5.377 1
1 751 . 7 1 1 A 60 60 ILE H H 58 6.296 7.492 -1.196 1
1 752 . 7 1 1 A 60 60 ILE HA H 58 3.627 3.368 0.259 1
1 762 . 7 1 1 A 60 60 ILE C C 58 177.104 177.494 -0.390 1
1 763 . 7 1 1 A 60 60 ILE CA C 58 61.605 64.461 -2.856 1
1 764 . 7 1 1 A 60 60 ILE CB C 58 36.043 36.542 -0.499 1
1 768 . 7 1 1 A 60 60 ILE N N 58 123.265 122.139 1.126 1
1 769 . 7 1 1 A 61 61 GLN H H 59 7.650 8.476 -0.826 1
1 770 . 7 1 1 A 61 61 GLN HA H 59 3.811 3.928 -0.117 1
1 777 . 7 1 1 A 61 61 GLN C C 59 178.933 178.982 -0.049 1
1 778 . 7 1 1 A 61 61 GLN CA C 59 59.663 58.976 0.687 1
1 779 . 7 1 1 A 61 61 GLN CB C 59 27.972 28.101 -0.129 1
1 781 . 7 1 1 A 61 61 GLN N N 59 120.850 118.825 2.025 1
1 783 . 7 1 1 A 62 62 GLU H H 60 8.057 8.047 0.010 1
1 784 . 7 1 1 A 62 62 GLU HA H 60 4.081 4.034 0.047 1
1 789 . 7 1 1 A 62 62 GLU C C 60 178.539 178.472 0.067 1
1 790 . 7 1 1 A 62 62 GLU CA C 60 59.152 59.307 -0.155 1
1 791 . 7 1 1 A 62 62 GLU CB C 60 29.896 29.496 0.400 1
1 793 . 7 1 1 A 62 62 GLU N N 60 117.976 121.313 -3.337 1
1 794 . 7 1 1 A 63 63 TYR H H 61 8.004 8.338 -0.334 1
1 795 . 7 1 1 A 63 63 TYR HA H 61 4.216 4.216 0.000 1
1 802 . 7 1 1 A 63 63 TYR C C 61 178.157 177.030 1.127 1
1 803 . 7 1 1 A 63 63 TYR CA C 61 61.281 61.390 -0.109 1
1 804 . 7 1 1 A 63 63 TYR CB C 61 38.956 38.749 0.207 1
1 807 . 7 1 1 A 63 63 TYR N N 61 120.743 122.408 -1.665 1
1 808 . 7 1 1 A 64 64 LEU H H 62 8.460 8.822 -0.362 1
1 809 . 7 1 1 A 64 64 LEU HA H 62 3.850 3.632 0.218 1
1 819 . 7 1 1 A 64 64 LEU C C 62 178.678 179.219 -0.541 1
1 820 . 7 1 1 A 64 64 LEU CA C 62 57.619 57.447 0.172 1
1 821 . 7 1 1 A 64 64 LEU CB C 62 41.868 41.227 0.641 1
1 825 . 7 1 1 A 64 64 LEU N N 62 119.052 118.993 0.059 1
1 826 . 7 1 1 A 65 65 GLU H H 63 7.850 8.503 -0.653 1
1 827 . 7 1 1 A 65 65 GLU HA H 63 3.974 3.919 0.055 1
1 832 . 7 1 1 A 65 65 GLU C C 63 178.447 178.617 -0.170 1
1 833 . 7 1 1 A 65 65 GLU CA C 63 59.143 59.652 -0.509 1
1 834 . 7 1 1 A 65 65 GLU CB C 63 29.721 28.952 0.769 1
1 836 . 7 1 1 A 65 65 GLU N N 63 118.310 120.791 -2.481 1
1 837 . 7 1 1 A 66 66 LYS H H 64 7.648 8.221 -0.573 1
1 838 . 7 1 1 A 66 66 LYS HA H 64 4.156 4.047 0.109 1
1 847 . 7 1 1 A 66 66 LYS C C 64 177.941 178.820 -0.879 1
1 848 . 7 1 1 A 66 66 LYS CA C 64 57.820 59.170 -1.350 1
1 849 . 7 1 1 A 66 66 LYS CB C 64 32.620 31.938 0.682 1
1 853 . 7 1 1 A 66 66 LYS N N 64 117.638 118.353 -0.715 1
1 854 . 7 1 1 A 67 67 ALA H H 65 8.004 8.032 -0.028 1
1 855 . 7 1 1 A 67 67 ALA HA H 65 4.068 3.940 0.128 1
1 859 . 7 1 1 A 67 67 ALA C C 65 178.624 180.337 -1.713 1
1 860 . 7 1 1 A 67 67 ALA CA C 65 53.790 54.913 -1.123 1
1 861 . 7 1 1 A 67 67 ALA CB C 65 19.082 17.991 1.091 1
1 862 . 7 1 1 A 67 67 ALA N N 65 121.228 121.616 -0.388 1
1 863 . 7 1 1 A 68 68 LEU H H 66 7.791 8.367 -0.576 1
1 864 . 7 1 1 A 68 68 LEU HA H 66 4.274 3.993 0.281 1
1 874 . 7 1 1 A 68 68 LEU CA C 66 55.593 57.569 -1.976 1
1 875 . 7 1 1 A 68 68 LEU CB C 66 42.329 41.376 0.953 1
1 878 . 7 1 1 A 68 68 LEU N N 66 116.882 119.853 -2.971 1
1 879 . 7 1 1 A 69 69 ASN H H 67 7.914 8.246 -0.332 1
1 880 . 7 1 1 A 69 69 ASN HA H 67 4.803 4.463 0.340 1
1 885 . 7 1 1 A 69 69 ASN C C 67 174.039 177.250 -3.211 1
1 886 . 7 1 1 A 69 69 ASN CA C 67 53.434 55.973 -2.539 1
1 887 . 7 1 1 A 69 69 ASN CB C 67 39.601 38.948 0.653 1
1 888 . 7 1 1 A 69 69 ASN N N 67 118.309 117.705 0.604 1
1 18 . 8 1 1 A 4 4 PRO HA H 2 4.416 4.587 -0.171 1
1 25 . 8 1 1 A 4 4 PRO C C 2 176.996 176.943 0.053 1
1 26 . 8 1 1 A 4 4 PRO CA C 2 63.494 62.106 1.388 1
1 27 . 8 1 1 A 4 4 PRO CB C 2 32.161 32.851 -0.690 1
1 30 . 8 1 1 A 5 5 VAL H H 3 8.227 8.263 -0.036 1
1 31 . 8 1 1 A 5 5 VAL HA H 3 4.058 4.278 -0.220 1
1 39 . 8 1 1 A 5 5 VAL C C 3 176.376 175.719 0.657 1
1 40 . 8 1 1 A 5 5 VAL CA C 3 62.495 61.324 1.171 1
1 41 . 8 1 1 A 5 5 VAL CB C 3 32.808 32.505 0.303 1
1 43 . 8 1 1 A 5 5 VAL N N 3 121.008 117.702 3.306 1
1 44 . 8 1 1 A 6 6 SER H H 4 8.270 8.975 -0.705 1
1 45 . 8 1 1 A 6 6 SER HA H 4 4.409 5.249 -0.840 1
1 48 . 8 1 1 A 6 6 SER C C 4 174.577 173.171 1.406 1
1 49 . 8 1 1 A 6 6 SER CA C 4 58.148 57.645 0.503 1
1 50 . 8 1 1 A 6 6 SER CB C 4 63.870 65.021 -1.151 1
1 51 . 8 1 1 A 6 6 SER N N 4 119.573 120.903 -1.330 1
1 52 . 8 1 1 A 7 7 LEU H H 5 8.273 8.271 0.002 1
1 53 . 8 1 1 A 7 7 LEU HA H 5 4.320 4.675 -0.355 1
1 63 . 8 1 1 A 7 7 LEU C C 5 177.341 176.441 0.900 1
1 64 . 8 1 1 A 7 7 LEU CA C 5 55.388 54.604 0.784 1
1 65 . 8 1 1 A 7 7 LEU CB C 5 42.650 42.164 0.486 1
1 68 . 8 1 1 A 7 7 LEU N N 5 125.039 127.549 -2.510 1
1 69 . 8 1 1 A 8 8 SER H H 6 8.127 8.636 -0.509 1
1 70 . 8 1 1 A 8 8 SER HA H 6 4.335 4.476 -0.141 1
1 73 . 8 1 1 A 8 8 SER C C 6 174.189 174.813 -0.624 1
1 74 . 8 1 1 A 8 8 SER CA C 6 58.433 60.533 -2.100 1
1 75 . 8 1 1 A 8 8 SER CB C 6 63.870 63.733 0.137 1
1 76 . 8 1 1 A 8 8 SER N N 6 116.154 119.982 -3.828 1
1 77 . 8 1 1 A 9 9 TYR H H 7 7.971 7.819 0.152 1
1 78 . 8 1 1 A 9 9 TYR HA H 7 4.502 4.665 -0.163 1
1 85 . 8 1 1 A 9 9 TYR C C 7 175.520 174.608 0.912 1
1 86 . 8 1 1 A 9 9 TYR CA C 7 58.008 56.876 1.132 1
1 87 . 8 1 1 A 9 9 TYR CB C 7 38.956 36.804 2.152 1
1 90 . 8 1 1 A 9 9 TYR N N 7 122.213 119.076 3.137 1
1 91 . 8 1 1 A 10 10 ARG H H 8 8.118 8.390 -0.272 1
1 92 . 8 1 1 A 10 10 ARG HA H 8 4.253 5.018 -0.765 1
1 99 . 8 1 1 A 10 10 ARG C C 8 175.918 174.351 1.567 1
1 100 . 8 1 1 A 10 10 ARG CA C 8 56.104 53.917 2.187 1
1 101 . 8 1 1 A 10 10 ARG CB C 8 30.875 33.745 -2.870 1
1 104 . 8 1 1 A 10 10 ARG N N 8 122.182 120.180 2.002 1
1 105 . 8 1 1 A 11 11 CYS H H 9 8.097 8.633 -0.536 1
1 106 . 8 1 1 A 11 11 CYS HA H 9 4.909 5.097 -0.188 1
1 109 . 8 1 1 A 11 11 CYS C C 9 173.615 173.830 -0.215 1
1 110 . 8 1 1 A 11 11 CYS CA C 9 53.127 54.030 -0.903 1
1 111 . 8 1 1 A 11 11 CYS CB C 9 40.218 44.293 -4.075 1
1 112 . 8 1 1 A 11 11 CYS N N 9 121.280 118.644 2.636 1
1 113 . 8 1 1 A 12 12 PRO HA H 10 4.275 4.206 0.069 1
1 120 . 8 1 1 A 12 12 PRO C C 10 177.703 176.905 0.798 1
1 121 . 8 1 1 A 12 12 PRO CA C 10 64.859 65.132 -0.273 1
1 122 . 8 1 1 A 12 12 PRO CB C 10 32.508 31.495 1.013 1
1 125 . 8 1 1 A 13 13 CYS H H 11 8.248 7.670 0.578 1
1 126 . 8 1 1 A 13 13 CYS HA H 11 4.827 4.642 0.185 1
1 129 . 8 1 1 A 13 13 CYS C C 11 174.202 172.888 1.314 1
1 130 . 8 1 1 A 13 13 CYS CA C 11 53.429 55.075 -1.646 1
1 131 . 8 1 1 A 13 13 CYS CB C 11 39.603 44.123 -4.520 1
1 132 . 8 1 1 A 13 13 CYS N N 11 114.161 115.269 -1.108 1
1 133 . 8 1 1 A 14 14 ARG HA H 12 3.984 4.276 -0.292 1
1 140 . 8 1 1 A 14 14 ARG C C 12 175.202 175.821 -0.619 1
1 141 . 8 1 1 A 14 14 ARG CA C 12 57.293 56.928 0.365 1
1 142 . 8 1 1 A 14 14 ARG CB C 12 31.098 30.940 0.158 1
1 145 . 8 1 1 A 15 15 PHE H H 13 7.524 7.270 0.254 1
1 146 . 8 1 1 A 15 15 PHE HA H 13 4.488 5.154 -0.666 1
1 154 . 8 1 1 A 15 15 PHE C C 13 174.226 173.297 0.929 1
1 155 . 8 1 1 A 15 15 PHE CA C 13 55.971 55.093 0.878 1
1 156 . 8 1 1 A 15 15 PHE CB C 13 41.059 43.132 -2.073 1
1 160 . 8 1 1 A 15 15 PHE N N 13 116.175 115.118 1.057 1
1 161 . 8 1 1 A 16 16 PHE H H 14 8.309 9.090 -0.781 1
1 162 . 8 1 1 A 16 16 PHE HA H 14 4.794 4.941 -0.147 1
1 170 . 8 1 1 A 16 16 PHE C C 14 175.247 174.849 0.398 1
1 171 . 8 1 1 A 16 16 PHE CA C 14 55.559 56.036 -0.477 1
1 172 . 8 1 1 A 16 16 PHE CB C 14 41.220 42.703 -1.483 1
1 176 . 8 1 1 A 16 16 PHE N N 14 119.656 118.181 1.475 1
1 177 . 8 1 1 A 17 17 GLU H H 15 8.904 9.547 -0.643 1
1 178 . 8 1 1 A 17 17 GLU HA H 15 4.525 4.456 0.069 1
1 183 . 8 1 1 A 17 17 GLU C C 15 176.747 176.952 -0.205 1
1 184 . 8 1 1 A 17 17 GLU CA C 15 56.012 56.655 -0.643 1
1 185 . 8 1 1 A 17 17 GLU CB C 15 30.894 30.714 0.180 1
1 187 . 8 1 1 A 17 17 GLU N N 15 122.929 124.773 -1.844 1
1 188 . 8 1 1 A 18 18 SER H H 16 8.752 8.588 0.164 1
1 189 . 8 1 1 A 18 18 SER HA H 16 4.708 4.848 -0.140 1
1 192 . 8 1 1 A 18 18 SER C C 16 174.278 174.859 -0.581 1
1 193 . 8 1 1 A 18 18 SER CA C 16 59.799 57.132 2.667 1
1 194 . 8 1 1 A 18 18 SER CB C 16 64.023 64.307 -0.284 1
1 195 . 8 1 1 A 18 18 SER N N 16 119.679 118.971 0.708 1
1 196 . 8 1 1 A 19 19 HIS H H 17 9.044 7.483 1.561 1
1 197 . 8 1 1 A 19 19 HIS HA H 17 4.873 4.811 0.062 1
1 202 . 8 1 1 A 19 19 HIS C C 17 174.580 175.485 -0.905 1
1 203 . 8 1 1 A 19 19 HIS CA C 17 56.240 55.441 0.799 1
1 204 . 8 1 1 A 19 19 HIS CB C 17 28.272 30.596 -2.324 1
1 207 . 8 1 1 A 19 19 HIS N N 17 120.269 115.958 4.311 1
1 208 . 8 1 1 A 20 20 VAL H H 18 7.212 7.210 0.002 1
1 209 . 8 1 1 A 20 20 VAL HA H 18 4.226 3.872 0.354 1
1 217 . 8 1 1 A 20 20 VAL C C 18 174.138 175.318 -1.180 1
1 218 . 8 1 1 A 20 20 VAL CA C 18 61.605 63.233 -1.628 1
1 219 . 8 1 1 A 20 20 VAL CB C 18 34.102 32.136 1.966 1
1 221 . 8 1 1 A 20 20 VAL N N 18 119.528 121.987 -2.459 1
1 222 . 8 1 1 A 21 21 ALA H H 19 8.553 8.349 0.204 1
1 223 . 8 1 1 A 21 21 ALA HA H 19 4.340 4.557 -0.217 1
1 227 . 8 1 1 A 21 21 ALA C C 19 177.514 177.378 0.136 1
1 228 . 8 1 1 A 21 21 ALA CA C 19 50.666 50.749 -0.083 1
1 229 . 8 1 1 A 21 21 ALA CB C 19 19.660 20.167 -0.507 1
1 230 . 8 1 1 A 21 21 ALA N N 19 131.180 129.887 1.293 1
1 231 . 8 1 1 A 22 22 ARG H H 20 7.726 8.121 -0.395 1
1 232 . 8 1 1 A 22 22 ARG HA H 20 2.590 3.355 -0.765 1
1 239 . 8 1 1 A 22 22 ARG C C 20 178.531 177.434 1.097 1
1 240 . 8 1 1 A 22 22 ARG CA C 20 59.155 58.382 0.773 1
1 241 . 8 1 1 A 22 22 ARG CB C 20 29.167 29.070 0.097 1
1 244 . 8 1 1 A 22 22 ARG N N 20 124.436 124.040 0.396 1
1 245 . 8 1 1 A 23 23 ALA H H 21 8.150 7.544 0.606 1
1 246 . 8 1 1 A 23 23 ALA HA H 21 4.019 4.095 -0.076 1
1 250 . 8 1 1 A 23 23 ALA C C 21 177.743 178.271 -0.528 1
1 251 . 8 1 1 A 23 23 ALA CA C 21 53.809 53.710 0.099 1
1 252 . 8 1 1 A 23 23 ALA CB C 21 18.688 18.384 0.304 1
1 253 . 8 1 1 A 23 23 ALA N N 21 117.354 121.399 -4.045 1
1 254 . 8 1 1 A 24 24 ASN H H 22 7.706 7.781 -0.075 1
1 255 . 8 1 1 A 24 24 ASN HA H 22 4.906 4.768 0.138 1
1 260 . 8 1 1 A 24 24 ASN C C 22 174.889 175.383 -0.494 1
1 261 . 8 1 1 A 24 24 ASN CA C 22 52.590 53.595 -1.005 1
1 262 . 8 1 1 A 24 24 ASN CB C 22 40.335 39.334 1.001 1
1 263 . 8 1 1 A 24 24 ASN N N 22 112.797 115.706 -2.909 1
1 265 . 8 1 1 A 25 25 VAL H H 23 7.457 7.496 -0.039 1
1 266 . 8 1 1 A 25 25 VAL HA H 23 4.326 4.334 -0.008 1
1 274 . 8 1 1 A 25 25 VAL C C 23 174.594 175.919 -1.325 1
1 275 . 8 1 1 A 25 25 VAL CA C 23 62.406 62.550 -0.144 1
1 276 . 8 1 1 A 25 25 VAL CB C 23 33.445 32.528 0.917 1
1 278 . 8 1 1 A 25 25 VAL N N 23 118.772 119.674 -0.902 1
1 279 . 8 1 1 A 26 26 LYS H H 24 9.261 9.244 0.017 1
1 280 . 8 1 1 A 26 26 LYS HA H 24 4.406 4.432 -0.026 1
1 289 . 8 1 1 A 26 26 LYS C C 24 175.247 176.510 -1.263 1
1 290 . 8 1 1 A 26 26 LYS CA C 24 56.483 57.204 -0.721 1
1 291 . 8 1 1 A 26 26 LYS CB C 24 35.023 33.450 1.573 1
1 295 . 8 1 1 A 26 26 LYS N N 24 125.197 122.414 2.783 1
1 296 . 8 1 1 A 27 27 HIS H H 25 7.811 7.556 0.255 1
1 297 . 8 1 1 A 27 27 HIS HA H 25 4.627 4.850 -0.223 1
1 302 . 8 1 1 A 27 27 HIS C C 25 173.157 172.788 0.369 1
1 303 . 8 1 1 A 27 27 HIS CA C 25 55.463 56.260 -0.797 1
1 304 . 8 1 1 A 27 27 HIS CB C 25 31.832 32.889 -1.057 1
1 307 . 8 1 1 A 27 27 HIS N N 25 115.509 118.157 -2.648 1
1 308 . 8 1 1 A 28 28 LEU H H 26 8.311 8.860 -0.549 1
1 309 . 8 1 1 A 28 28 LEU HA H 26 4.991 4.938 0.053 1
1 319 . 8 1 1 A 28 28 LEU C C 26 175.514 175.175 0.339 1
1 320 . 8 1 1 A 28 28 LEU CA C 26 54.662 52.846 1.816 1
1 321 . 8 1 1 A 28 28 LEU CB C 26 45.594 44.429 1.165 1
1 325 . 8 1 1 A 29 29 LYS H H 27 9.003 9.744 -0.741 1
1 326 . 8 1 1 A 29 29 LYS HA H 27 4.578 4.927 -0.349 1
1 335 . 8 1 1 A 29 29 LYS C C 27 173.758 174.708 -0.950 1
1 336 . 8 1 1 A 29 29 LYS CA C 27 54.945 54.681 0.264 1
1 337 . 8 1 1 A 29 29 LYS CB C 27 36.358 35.171 1.187 1
1 341 . 8 1 1 A 29 29 LYS N N 27 122.740 125.580 -2.840 1
1 342 . 8 1 1 A 30 30 ILE H H 28 8.526 9.014 -0.488 1
1 343 . 8 1 1 A 30 30 ILE HA H 28 4.623 4.820 -0.197 1
1 353 . 8 1 1 A 30 30 ILE C C 28 175.988 174.718 1.270 1
1 354 . 8 1 1 A 30 30 ILE CA C 28 60.122 60.562 -0.440 1
1 355 . 8 1 1 A 30 30 ILE CB C 28 38.795 38.354 0.441 1
1 359 . 8 1 1 A 30 30 ILE N N 28 123.517 127.767 -4.250 1
1 360 . 8 1 1 A 31 31 LEU H H 29 8.910 9.789 -0.879 1
1 361 . 8 1 1 A 31 31 LEU HA H 29 4.553 5.153 -0.600 1
1 371 . 8 1 1 A 31 31 LEU C C 29 176.005 175.301 0.704 1
1 372 . 8 1 1 A 31 31 LEU CA C 29 53.975 53.521 0.454 1
1 373 . 8 1 1 A 31 31 LEU CB C 29 43.485 45.097 -1.612 1
1 376 . 8 1 1 A 31 31 LEU N N 29 128.881 129.986 -1.105 1
1 377 . 8 1 1 A 32 32 ASN H H 30 8.710 8.952 -0.242 1
1 378 . 8 1 1 A 32 32 ASN HA H 30 4.954 5.439 -0.485 1
1 383 . 8 1 1 A 32 32 ASN C C 30 174.462 174.434 0.028 1
1 384 . 8 1 1 A 32 32 ASN CA C 30 52.413 51.764 0.649 1
1 385 . 8 1 1 A 32 32 ASN CB C 30 39.232 39.934 -0.702 1
1 386 . 8 1 1 A 32 32 ASN N N 30 124.019 124.714 -0.695 1
1 388 . 8 1 1 A 33 33 THR H H 31 8.094 8.975 -0.881 1
1 389 . 8 1 1 A 33 33 THR HA H 31 4.628 4.767 -0.139 1
1 394 . 8 1 1 A 33 33 THR CA C 31 59.475 58.988 0.487 1
1 395 . 8 1 1 A 33 33 THR CB C 31 70.459 70.681 -0.222 1
1 397 . 8 1 1 A 33 33 THR N N 31 118.961 118.017 0.944 1
1 398 . 8 1 1 A 34 34 PRO HA H 32 4.206 4.487 -0.281 1
1 405 . 8 1 1 A 34 34 PRO C C 32 176.814 176.822 -0.008 1
1 406 . 8 1 1 A 34 34 PRO CA C 32 64.445 64.432 0.013 1
1 407 . 8 1 1 A 34 34 PRO CB C 32 32.170 31.752 0.418 1
1 410 . 8 1 1 A 35 35 ASN H H 33 8.504 8.532 -0.028 1
1 411 . 8 1 1 A 35 35 ASN HA H 33 4.342 4.925 -0.583 1
1 416 . 8 1 1 A 35 35 ASN C C 33 174.344 175.344 -1.000 1
1 417 . 8 1 1 A 35 35 ASN CA C 33 54.945 53.031 1.914 1
1 418 . 8 1 1 A 35 35 ASN CB C 33 38.122 39.675 -1.553 1
1 419 . 8 1 1 A 35 35 ASN N N 33 113.042 114.985 -1.943 1
1 421 . 8 1 1 A 36 36 CYS H H 34 7.526 8.152 -0.626 1
1 422 . 8 1 1 A 36 36 CYS HA H 34 4.878 4.873 0.005 1
1 425 . 8 1 1 A 36 36 CYS C C 34 173.880 173.587 0.293 1
1 426 . 8 1 1 A 36 36 CYS CA C 34 54.622 57.245 -2.623 1
1 427 . 8 1 1 A 36 36 CYS CB C 34 44.780 44.591 0.189 1
1 428 . 8 1 1 A 36 36 CYS N N 34 116.301 116.641 -0.340 1
1 429 . 8 1 1 A 37 37 ALA H H 35 8.395 7.124 1.271 1
1 430 . 8 1 1 A 37 37 ALA HA H 35 4.205 4.423 -0.218 1
1 434 . 8 1 1 A 37 37 ALA C C 35 176.677 175.660 1.017 1
1 435 . 8 1 1 A 37 37 ALA CA C 35 52.413 51.561 0.852 1
1 436 . 8 1 1 A 37 37 ALA CB C 35 18.968 21.203 -2.235 1
1 437 . 8 1 1 A 37 37 ALA N N 35 125.001 117.760 7.241 1
1 438 . 8 1 1 A 38 38 LEU H H 36 8.004 8.408 -0.404 1
1 439 . 8 1 1 A 38 38 LEU HA H 36 4.206 4.753 -0.547 1
1 449 . 8 1 1 A 38 38 LEU C C 36 176.194 175.983 0.211 1
1 450 . 8 1 1 A 38 38 LEU CA C 36 56.563 53.665 2.898 1
1 451 . 8 1 1 A 38 38 LEU CB C 36 42.465 42.782 -0.317 1
1 455 . 8 1 1 A 38 38 LEU N N 36 121.548 117.322 4.226 1
1 456 . 8 1 1 A 39 39 GLN H H 37 8.471 9.293 -0.822 1
1 457 . 8 1 1 A 39 39 GLN HA H 37 4.621 4.913 -0.292 1
1 464 . 8 1 1 A 39 39 GLN C C 37 173.581 174.696 -1.115 1
1 465 . 8 1 1 A 39 39 GLN CA C 37 54.172 55.333 -1.161 1
1 466 . 8 1 1 A 39 39 GLN CB C 37 32.461 30.129 2.332 1
1 468 . 8 1 1 A 39 39 GLN N N 37 123.271 122.483 0.788 1
1 470 . 8 1 1 A 40 40 ILE H H 38 9.429 8.490 0.939 1
1 471 . 8 1 1 A 40 40 ILE HA H 38 4.718 4.729 -0.011 1
1 481 . 8 1 1 A 40 40 ILE C C 38 174.547 175.208 -0.661 1
1 482 . 8 1 1 A 40 40 ILE CA C 38 60.122 59.718 0.404 1
1 483 . 8 1 1 A 40 40 ILE CB C 38 38.899 38.112 0.787 1
1 487 . 8 1 1 A 40 40 ILE N N 38 124.702 125.450 -0.748 1
1 488 . 8 1 1 A 41 41 VAL H H 39 8.872 9.142 -0.270 1
1 489 . 8 1 1 A 41 41 VAL HA H 39 5.027 4.913 0.114 1
1 497 . 8 1 1 A 41 41 VAL C C 39 174.772 174.905 -0.133 1
1 498 . 8 1 1 A 41 41 VAL CA C 39 60.111 61.224 -1.113 1
1 499 . 8 1 1 A 41 41 VAL CB C 39 34.767 33.038 1.729 1
1 501 . 8 1 1 A 41 41 VAL N N 39 124.441 129.079 -4.638 1
1 502 . 8 1 1 A 42 42 ALA H H 40 9.305 9.292 0.013 1
1 503 . 8 1 1 A 42 42 ALA HA H 40 5.289 5.447 -0.158 1
1 507 . 8 1 1 A 42 42 ALA C C 40 175.955 175.411 0.544 1
1 508 . 8 1 1 A 42 42 ALA CA C 40 50.093 50.300 -0.207 1
1 509 . 8 1 1 A 42 42 ALA CB C 40 24.063 22.895 1.168 1
1 510 . 8 1 1 A 42 42 ALA N N 40 126.567 129.204 -2.637 1
1 511 . 8 1 1 A 43 43 ARG H H 41 8.393 8.667 -0.274 1
1 512 . 8 1 1 A 43 43 ARG HA H 41 5.119 5.275 -0.156 1
1 519 . 8 1 1 A 43 43 ARG C C 41 176.184 175.891 0.293 1
1 520 . 8 1 1 A 43 43 ARG CA C 41 53.900 54.814 -0.914 1
1 521 . 8 1 1 A 43 43 ARG CB C 41 32.306 32.563 -0.257 1
1 524 . 8 1 1 A 43 43 ARG N N 41 118.991 122.598 -3.607 1
1 525 . 8 1 1 A 44 44 LEU H H 42 9.010 9.093 -0.083 1
1 526 . 8 1 1 A 44 44 LEU HA H 42 4.934 4.787 0.147 1
1 536 . 8 1 1 A 44 44 LEU C C 42 178.369 177.961 0.408 1
1 537 . 8 1 1 A 44 44 LEU CA C 42 54.329 54.355 -0.026 1
1 538 . 8 1 1 A 44 44 LEU CB C 42 41.497 42.377 -0.880 1
1 542 . 8 1 1 A 44 44 LEU N N 42 125.764 124.337 1.427 1
1 543 . 8 1 1 A 45 45 LYS H H 43 8.474 9.524 -1.050 1
1 544 . 8 1 1 A 45 45 LYS HA H 43 3.821 3.925 -0.104 1
1 553 . 8 1 1 A 45 45 LYS CA C 43 59.340 59.831 -0.491 1
1 554 . 8 1 1 A 45 45 LYS CB C 43 33.445 32.821 0.624 1
1 558 . 8 1 1 A 45 45 LYS N N 43 120.489 122.205 -1.716 1
1 559 . 8 1 1 A 46 46 ASN H H 44 8.657 7.996 0.661 1
1 560 . 8 1 1 A 46 46 ASN HA H 44 4.433 4.456 -0.023 1
1 565 . 8 1 1 A 46 46 ASN C C 44 175.970 177.429 -1.459 1
1 566 . 8 1 1 A 46 46 ASN CA C 44 55.457 56.181 -0.724 1
1 567 . 8 1 1 A 46 46 ASN CB C 44 37.507 38.837 -1.330 1
1 569 . 8 1 1 A 47 47 ASN H H 45 7.566 7.801 -0.235 1
1 570 . 8 1 1 A 47 47 ASN HA H 45 4.654 4.827 -0.173 1
1 575 . 8 1 1 A 47 47 ASN C C 45 175.461 175.107 0.354 1
1 576 . 8 1 1 A 47 47 ASN CA C 45 52.769 53.051 -0.282 1
1 577 . 8 1 1 A 47 47 ASN CB C 45 39.203 39.194 0.009 1
1 578 . 8 1 1 A 47 47 ASN N N 45 115.277 116.164 -0.887 1
1 580 . 8 1 1 A 48 48 ASN H H 46 8.008 8.218 -0.210 1
1 581 . 8 1 1 A 48 48 ASN HA H 46 4.649 4.561 0.088 1
1 586 . 8 1 1 A 48 48 ASN C C 46 174.812 174.270 0.542 1
1 587 . 8 1 1 A 48 48 ASN CA C 46 54.491 54.563 -0.072 1
1 588 . 8 1 1 A 48 48 ASN CB C 46 39.092 38.185 0.907 1
1 589 . 8 1 1 A 48 48 ASN N N 46 116.416 117.893 -1.477 1
1 591 . 8 1 1 A 49 49 ARG H H 47 7.918 7.683 0.235 1
1 592 . 8 1 1 A 49 49 ARG HA H 47 4.206 4.331 -0.125 1
1 599 . 8 1 1 A 49 49 ARG C C 47 175.719 175.557 0.162 1
1 600 . 8 1 1 A 49 49 ARG CA C 47 57.084 56.738 0.346 1
1 601 . 8 1 1 A 49 49 ARG CB C 47 31.785 31.377 0.408 1
1 604 . 8 1 1 A 49 49 ARG N N 47 120.017 121.043 -1.026 1
1 605 . 8 1 1 A 50 50 GLN H H 48 8.617 8.659 -0.042 1
1 606 . 8 1 1 A 50 50 GLN HA H 48 5.212 4.997 0.215 1
1 613 . 8 1 1 A 50 50 GLN C C 48 175.697 175.574 0.123 1
1 614 . 8 1 1 A 50 50 GLN CA C 48 55.454 54.949 0.505 1
1 615 . 8 1 1 A 50 50 GLN CB C 48 30.953 30.313 0.640 1
1 617 . 8 1 1 A 50 50 GLN N N 48 123.029 123.226 -0.197 1
1 619 . 8 1 1 A 51 51 VAL H H 49 9.009 9.404 -0.395 1
1 620 . 8 1 1 A 51 51 VAL HA H 49 4.747 4.977 -0.230 1
1 628 . 8 1 1 A 51 51 VAL C C 49 174.561 174.229 0.332 1
1 629 . 8 1 1 A 51 51 VAL CA C 49 59.266 58.873 0.393 1
1 630 . 8 1 1 A 51 51 VAL CB C 49 35.845 35.161 0.684 1
1 633 . 8 1 1 A 51 51 VAL N N 49 119.358 119.655 -0.297 1
1 634 . 8 1 1 A 52 52 CYS H H 50 8.850 8.618 0.232 1
1 635 . 8 1 1 A 52 52 CYS HA H 50 5.605 5.849 -0.244 1
1 638 . 8 1 1 A 52 52 CYS C C 50 174.469 172.650 1.819 1
1 639 . 8 1 1 A 52 52 CYS CA C 50 56.377 54.529 1.848 1
1 640 . 8 1 1 A 52 52 CYS CB C 50 44.694 43.570 1.124 1
1 641 . 8 1 1 A 52 52 CYS N N 50 120.834 119.147 1.687 1
1 642 . 8 1 1 A 53 53 ILE H H 51 8.656 9.600 -0.944 1
1 643 . 8 1 1 A 53 53 ILE HA H 51 4.461 4.683 -0.222 1
1 653 . 8 1 1 A 53 53 ILE C C 51 174.137 174.693 -0.556 1
1 654 . 8 1 1 A 53 53 ILE CA C 51 59.671 60.071 -0.400 1
1 655 . 8 1 1 A 53 53 ILE CB C 51 39.603 41.266 -1.663 1
1 659 . 8 1 1 A 53 53 ILE N N 51 122.740 125.221 -2.481 1
1 660 . 8 1 1 A 54 54 ASP H H 52 7.746 8.070 -0.324 1
1 661 . 8 1 1 A 54 54 ASP HA H 52 3.650 4.169 -0.519 1
1 664 . 8 1 1 A 54 54 ASP CA C 52 51.578 51.665 -0.087 1
1 665 . 8 1 1 A 54 54 ASP CB C 52 42.384 42.139 0.245 1
1 666 . 8 1 1 A 54 54 ASP N N 52 126.398 126.649 -0.251 1
1 667 . 8 1 1 A 55 55 PRO HA H 53 3.990 4.117 -0.127 1
1 674 . 8 1 1 A 55 55 PRO C C 53 176.274 177.040 -0.766 1
1 675 . 8 1 1 A 55 55 PRO CA C 53 63.546 64.505 -0.959 1
1 676 . 8 1 1 A 55 55 PRO CB C 53 32.272 31.933 0.339 1
1 679 . 8 1 1 A 56 56 LYS H H 54 8.054 8.421 -0.367 1
1 680 . 8 1 1 A 56 56 LYS HA H 54 3.954 4.234 -0.280 1
1 689 . 8 1 1 A 56 56 LYS C C 54 177.867 176.631 1.236 1
1 690 . 8 1 1 A 56 56 LYS CA C 54 56.189 56.425 -0.236 1
1 691 . 8 1 1 A 56 56 LYS CB C 54 31.680 32.006 -0.326 1
1 695 . 8 1 1 A 56 56 LYS N N 54 115.161 115.512 -0.351 1
1 696 . 8 1 1 A 57 57 LEU H H 55 7.172 6.769 0.403 1
1 697 . 8 1 1 A 57 57 LEU HA H 55 4.021 4.156 -0.135 1
1 707 . 8 1 1 A 57 57 LEU C C 55 179.221 177.678 1.543 1
1 708 . 8 1 1 A 57 57 LEU CA C 55 55.781 55.226 0.555 1
1 709 . 8 1 1 A 57 57 LEU CB C 55 41.739 41.508 0.231 1
1 713 . 8 1 1 A 57 57 LEU N N 55 120.921 122.471 -1.550 1
1 714 . 8 1 1 A 58 58 LYS H H 56 8.753 8.901 -0.148 1
1 715 . 8 1 1 A 58 58 LYS HA H 56 3.898 3.882 0.016 1
1 724 . 8 1 1 A 58 58 LYS C C 56 179.161 178.233 0.928 1
1 725 . 8 1 1 A 58 58 LYS CA C 56 60.318 59.565 0.753 1
1 726 . 8 1 1 A 58 58 LYS CB C 56 32.100 32.098 0.002 1
1 730 . 8 1 1 A 58 58 LYS N N 56 125.449 124.672 0.777 1
1 731 . 8 1 1 A 59 59 TRP H H 57 7.889 8.366 -0.477 1
1 732 . 8 1 1 A 59 59 TRP HA H 57 4.612 4.579 0.033 1
1 741 . 8 1 1 A 59 59 TRP C C 57 178.642 179.230 -0.588 1
1 742 . 8 1 1 A 59 59 TRP CA C 57 58.388 59.729 -1.341 1
1 743 . 8 1 1 A 59 59 TRP CB C 57 27.954 27.880 0.074 1
1 749 . 8 1 1 A 59 59 TRP N N 57 113.858 119.280 -5.422 1
1 751 . 8 1 1 A 60 60 ILE H H 58 6.296 7.555 -1.259 1
1 752 . 8 1 1 A 60 60 ILE HA H 58 3.627 3.385 0.242 1
1 762 . 8 1 1 A 60 60 ILE C C 58 177.104 177.572 -0.468 1
1 763 . 8 1 1 A 60 60 ILE CA C 58 61.605 64.486 -2.881 1
1 764 . 8 1 1 A 60 60 ILE CB C 58 36.043 36.441 -0.398 1
1 768 . 8 1 1 A 60 60 ILE N N 58 123.265 122.154 1.111 1
1 769 . 8 1 1 A 61 61 GLN H H 59 7.650 8.451 -0.801 1
1 770 . 8 1 1 A 61 61 GLN HA H 59 3.811 3.869 -0.058 1
1 777 . 8 1 1 A 61 61 GLN C C 59 178.933 178.721 0.212 1
1 778 . 8 1 1 A 61 61 GLN CA C 59 59.663 58.994 0.669 1
1 779 . 8 1 1 A 61 61 GLN CB C 59 27.972 28.410 -0.438 1
1 781 . 8 1 1 A 61 61 GLN N N 59 120.850 118.759 2.091 1
1 783 . 8 1 1 A 62 62 GLU H H 60 8.057 7.998 0.059 1
1 784 . 8 1 1 A 62 62 GLU HA H 60 4.081 4.100 -0.019 1
1 789 . 8 1 1 A 62 62 GLU C C 60 178.539 178.423 0.116 1
1 790 . 8 1 1 A 62 62 GLU CA C 60 59.152 58.870 0.282 1
1 791 . 8 1 1 A 62 62 GLU CB C 60 29.896 29.612 0.284 1
1 793 . 8 1 1 A 62 62 GLU N N 60 117.976 120.935 -2.959 1
1 794 . 8 1 1 A 63 63 TYR H H 61 8.004 8.060 -0.056 1
1 795 . 8 1 1 A 63 63 TYR HA H 61 4.216 4.290 -0.074 1
1 802 . 8 1 1 A 63 63 TYR C C 61 178.157 176.903 1.254 1
1 803 . 8 1 1 A 63 63 TYR CA C 61 61.281 61.517 -0.236 1
1 804 . 8 1 1 A 63 63 TYR CB C 61 38.956 38.695 0.261 1
1 807 . 8 1 1 A 63 63 TYR N N 61 120.743 122.625 -1.882 1
1 808 . 8 1 1 A 64 64 LEU H H 62 8.460 8.644 -0.184 1
1 809 . 8 1 1 A 64 64 LEU HA H 62 3.850 3.687 0.163 1
1 819 . 8 1 1 A 64 64 LEU C C 62 178.678 179.067 -0.389 1
1 820 . 8 1 1 A 64 64 LEU CA C 62 57.619 57.436 0.183 1
1 821 . 8 1 1 A 64 64 LEU CB C 62 41.868 41.246 0.622 1
1 825 . 8 1 1 A 64 64 LEU N N 62 119.052 119.248 -0.196 1
1 826 . 8 1 1 A 65 65 GLU H H 63 7.850 8.339 -0.489 1
1 827 . 8 1 1 A 65 65 GLU HA H 63 3.974 3.828 0.146 1
1 832 . 8 1 1 A 65 65 GLU C C 63 178.447 178.499 -0.052 1
1 833 . 8 1 1 A 65 65 GLU CA C 63 59.143 60.074 -0.931 1
1 834 . 8 1 1 A 65 65 GLU CB C 63 29.721 29.230 0.491 1
1 836 . 8 1 1 A 65 65 GLU N N 63 118.310 120.645 -2.335 1
1 837 . 8 1 1 A 66 66 LYS H H 64 7.648 8.020 -0.372 1
1 838 . 8 1 1 A 66 66 LYS HA H 64 4.156 3.946 0.210 1
1 847 . 8 1 1 A 66 66 LYS C C 64 177.941 178.575 -0.634 1
1 848 . 8 1 1 A 66 66 LYS CA C 64 57.820 59.378 -1.558 1
1 849 . 8 1 1 A 66 66 LYS CB C 64 32.620 32.281 0.339 1
1 853 . 8 1 1 A 66 66 LYS N N 64 117.638 119.707 -2.069 1
1 854 . 8 1 1 A 67 67 ALA H H 65 8.004 7.904 0.100 1
1 855 . 8 1 1 A 67 67 ALA HA H 65 4.068 3.956 0.112 1
1 859 . 8 1 1 A 67 67 ALA C C 65 178.624 180.072 -1.448 1
1 860 . 8 1 1 A 67 67 ALA CA C 65 53.790 54.675 -0.885 1
1 861 . 8 1 1 A 67 67 ALA CB C 65 19.082 18.333 0.749 1
1 862 . 8 1 1 A 67 67 ALA N N 65 121.228 120.323 0.905 1
1 863 . 8 1 1 A 68 68 LEU H H 66 7.791 8.240 -0.449 1
1 864 . 8 1 1 A 68 68 LEU HA H 66 4.274 4.052 0.222 1
1 874 . 8 1 1 A 68 68 LEU CA C 66 55.593 57.441 -1.848 1
1 875 . 8 1 1 A 68 68 LEU CB C 66 42.329 42.005 0.324 1
1 878 . 8 1 1 A 68 68 LEU N N 66 116.882 119.887 -3.005 1
1 879 . 8 1 1 A 69 69 ASN H H 67 7.914 8.130 -0.216 1
1 880 . 8 1 1 A 69 69 ASN HA H 67 4.803 4.631 0.172 1
1 885 . 8 1 1 A 69 69 ASN C C 67 174.039 176.682 -2.643 1
1 886 . 8 1 1 A 69 69 ASN CA C 67 53.434 54.626 -1.192 1
1 887 . 8 1 1 A 69 69 ASN CB C 67 39.601 38.825 0.776 1
1 888 . 8 1 1 A 69 69 ASN N N 67 118.309 117.517 0.792 1
1 18 . 9 1 1 A 4 4 PRO HA H 2 4.416 4.526 -0.110 1
1 25 . 9 1 1 A 4 4 PRO C C 2 176.996 176.122 0.874 1
1 26 . 9 1 1 A 4 4 PRO CA C 2 63.494 62.818 0.676 1
1 27 . 9 1 1 A 4 4 PRO CB C 2 32.161 31.728 0.433 1
1 30 . 9 1 1 A 5 5 VAL H H 3 8.227 8.481 -0.254 1
1 31 . 9 1 1 A 5 5 VAL HA H 3 4.058 4.219 -0.161 1
1 39 . 9 1 1 A 5 5 VAL C C 3 176.376 175.441 0.935 1
1 40 . 9 1 1 A 5 5 VAL CA C 3 62.495 61.746 0.749 1
1 41 . 9 1 1 A 5 5 VAL CB C 3 32.808 30.715 2.093 1
1 43 . 9 1 1 A 5 5 VAL N N 3 121.008 123.468 -2.460 1
1 44 . 9 1 1 A 6 6 SER H H 4 8.270 8.498 -0.228 1
1 45 . 9 1 1 A 6 6 SER HA H 4 4.409 4.748 -0.339 1
1 48 . 9 1 1 A 6 6 SER C C 4 174.577 173.637 0.940 1
1 49 . 9 1 1 A 6 6 SER CA C 4 58.148 58.376 -0.228 1
1 50 . 9 1 1 A 6 6 SER CB C 4 63.870 63.623 0.247 1
1 51 . 9 1 1 A 6 6 SER N N 4 119.573 124.966 -5.393 1
1 52 . 9 1 1 A 7 7 LEU H H 5 8.273 8.867 -0.594 1
1 53 . 9 1 1 A 7 7 LEU HA H 5 4.320 4.812 -0.492 1
1 63 . 9 1 1 A 7 7 LEU C C 5 177.341 176.331 1.010 1
1 64 . 9 1 1 A 7 7 LEU CA C 5 55.388 54.316 1.072 1
1 65 . 9 1 1 A 7 7 LEU CB C 5 42.650 43.856 -1.206 1
1 68 . 9 1 1 A 7 7 LEU N N 5 125.039 130.050 -5.011 1
1 69 . 9 1 1 A 8 8 SER H H 6 8.127 8.599 -0.472 1
1 70 . 9 1 1 A 8 8 SER HA H 6 4.335 4.624 -0.289 1
1 73 . 9 1 1 A 8 8 SER C C 6 174.189 173.960 0.229 1
1 74 . 9 1 1 A 8 8 SER CA C 6 58.433 56.948 1.485 1
1 75 . 9 1 1 A 8 8 SER CB C 6 63.870 65.703 -1.833 1
1 76 . 9 1 1 A 8 8 SER N N 6 116.154 117.668 -1.514 1
1 77 . 9 1 1 A 9 9 TYR H H 7 7.971 8.508 -0.537 1
1 78 . 9 1 1 A 9 9 TYR HA H 7 4.502 4.670 -0.168 1
1 85 . 9 1 1 A 9 9 TYR C C 7 175.520 175.478 0.042 1
1 86 . 9 1 1 A 9 9 TYR CA C 7 58.008 57.833 0.175 1
1 87 . 9 1 1 A 9 9 TYR CB C 7 38.956 37.447 1.509 1
1 90 . 9 1 1 A 9 9 TYR N N 7 122.213 121.576 0.637 1
1 91 . 9 1 1 A 10 10 ARG H H 8 8.118 8.095 0.023 1
1 92 . 9 1 1 A 10 10 ARG HA H 8 4.253 4.658 -0.405 1
1 99 . 9 1 1 A 10 10 ARG C C 8 175.918 175.536 0.382 1
1 100 . 9 1 1 A 10 10 ARG CA C 8 56.104 55.541 0.563 1
1 101 . 9 1 1 A 10 10 ARG CB C 8 30.875 31.241 -0.366 1
1 104 . 9 1 1 A 10 10 ARG N N 8 122.182 121.551 0.631 1
1 105 . 9 1 1 A 11 11 CYS H H 9 8.097 8.601 -0.504 1
1 106 . 9 1 1 A 11 11 CYS HA H 9 4.909 5.054 -0.145 1
1 109 . 9 1 1 A 11 11 CYS C C 9 173.615 173.631 -0.016 1
1 110 . 9 1 1 A 11 11 CYS CA C 9 53.127 54.062 -0.935 1
1 111 . 9 1 1 A 11 11 CYS CB C 9 40.218 43.728 -3.510 1
1 112 . 9 1 1 A 11 11 CYS N N 9 121.280 119.009 2.271 1
1 113 . 9 1 1 A 12 12 PRO HA H 10 4.275 4.271 0.004 1
1 120 . 9 1 1 A 12 12 PRO C C 10 177.703 176.553 1.150 1
1 121 . 9 1 1 A 12 12 PRO CA C 10 64.859 65.048 -0.189 1
1 122 . 9 1 1 A 12 12 PRO CB C 10 32.508 31.493 1.015 1
1 125 . 9 1 1 A 13 13 CYS H H 11 8.248 7.807 0.441 1
1 126 . 9 1 1 A 13 13 CYS HA H 11 4.827 4.757 0.070 1
1 129 . 9 1 1 A 13 13 CYS C C 11 174.202 173.207 0.995 1
1 130 . 9 1 1 A 13 13 CYS CA C 11 53.429 54.972 -1.543 1
1 131 . 9 1 1 A 13 13 CYS CB C 11 39.603 43.693 -4.090 1
1 132 . 9 1 1 A 13 13 CYS N N 11 114.161 115.843 -1.682 1
1 133 . 9 1 1 A 14 14 ARG HA H 12 3.984 4.202 -0.218 1
1 140 . 9 1 1 A 14 14 ARG C C 12 175.202 175.924 -0.722 1
1 141 . 9 1 1 A 14 14 ARG CA C 12 57.293 56.940 0.353 1
1 142 . 9 1 1 A 14 14 ARG CB C 12 31.098 30.893 0.205 1
1 145 . 9 1 1 A 15 15 PHE H H 13 7.524 7.791 -0.267 1
1 146 . 9 1 1 A 15 15 PHE HA H 13 4.488 5.120 -0.632 1
1 154 . 9 1 1 A 15 15 PHE C C 13 174.226 174.990 -0.764 1
1 155 . 9 1 1 A 15 15 PHE CA C 13 55.971 56.285 -0.314 1
1 156 . 9 1 1 A 15 15 PHE CB C 13 41.059 41.557 -0.498 1
1 160 . 9 1 1 A 15 15 PHE N N 13 116.175 115.600 0.575 1
1 161 . 9 1 1 A 16 16 PHE H H 14 8.309 9.279 -0.970 1
1 162 . 9 1 1 A 16 16 PHE HA H 14 4.794 5.330 -0.536 1
1 170 . 9 1 1 A 16 16 PHE C C 14 175.247 174.464 0.783 1
1 171 . 9 1 1 A 16 16 PHE CA C 14 55.559 56.221 -0.662 1
1 172 . 9 1 1 A 16 16 PHE CB C 14 41.220 42.993 -1.773 1
1 176 . 9 1 1 A 16 16 PHE N N 14 119.656 120.764 -1.108 1
1 177 . 9 1 1 A 17 17 GLU H H 15 8.904 9.274 -0.370 1
1 178 . 9 1 1 A 17 17 GLU HA H 15 4.525 4.487 0.038 1
1 183 . 9 1 1 A 17 17 GLU C C 15 176.747 176.634 0.113 1
1 184 . 9 1 1 A 17 17 GLU CA C 15 56.012 56.156 -0.144 1
1 185 . 9 1 1 A 17 17 GLU CB C 15 30.894 29.704 1.190 1
1 187 . 9 1 1 A 17 17 GLU N N 15 122.929 124.030 -1.101 1
1 188 . 9 1 1 A 18 18 SER H H 16 8.752 8.836 -0.084 1
1 189 . 9 1 1 A 18 18 SER HA H 16 4.708 4.753 -0.045 1
1 192 . 9 1 1 A 18 18 SER C C 16 174.278 173.836 0.442 1
1 193 . 9 1 1 A 18 18 SER CA C 16 59.799 58.591 1.208 1
1 194 . 9 1 1 A 18 18 SER CB C 16 64.023 63.793 0.230 1
1 195 . 9 1 1 A 18 18 SER N N 16 119.679 121.623 -1.944 1
1 196 . 9 1 1 A 19 19 HIS H H 17 9.044 7.843 1.201 1
1 197 . 9 1 1 A 19 19 HIS HA H 17 4.873 5.009 -0.136 1
1 202 . 9 1 1 A 19 19 HIS C C 17 174.580 173.090 1.490 1
1 203 . 9 1 1 A 19 19 HIS CA C 17 56.240 53.697 2.543 1
1 204 . 9 1 1 A 19 19 HIS CB C 17 28.272 30.628 -2.356 1
1 207 . 9 1 1 A 19 19 HIS N N 17 120.269 121.692 -1.423 1
1 208 . 9 1 1 A 20 20 VAL H H 18 7.212 9.046 -1.834 1
1 209 . 9 1 1 A 20 20 VAL HA H 18 4.226 4.575 -0.349 1
1 217 . 9 1 1 A 20 20 VAL C C 18 174.138 174.387 -0.249 1
1 218 . 9 1 1 A 20 20 VAL CA C 18 61.605 60.326 1.279 1
1 219 . 9 1 1 A 20 20 VAL CB C 18 34.102 36.118 -2.016 1
1 221 . 9 1 1 A 20 20 VAL N N 18 119.528 127.130 -7.602 1
1 222 . 9 1 1 A 21 21 ALA H H 19 8.553 8.218 0.335 1
1 223 . 9 1 1 A 21 21 ALA HA H 19 4.340 4.380 -0.040 1
1 227 . 9 1 1 A 21 21 ALA C C 19 177.514 177.307 0.207 1
1 228 . 9 1 1 A 21 21 ALA CA C 19 50.666 50.120 0.546 1
1 229 . 9 1 1 A 21 21 ALA CB C 19 19.660 20.692 -1.032 1
1 230 . 9 1 1 A 21 21 ALA N N 19 131.180 127.540 3.640 1
1 231 . 9 1 1 A 22 22 ARG H H 20 7.726 8.111 -0.385 1
1 232 . 9 1 1 A 22 22 ARG HA H 20 2.590 2.714 -0.124 1
1 239 . 9 1 1 A 22 22 ARG C C 20 178.531 177.190 1.341 1
1 240 . 9 1 1 A 22 22 ARG CA C 20 59.155 58.742 0.413 1
1 241 . 9 1 1 A 22 22 ARG CB C 20 29.167 29.459 -0.292 1
1 244 . 9 1 1 A 22 22 ARG N N 20 124.436 122.688 1.748 1
1 245 . 9 1 1 A 23 23 ALA H H 21 8.150 7.616 0.534 1
1 246 . 9 1 1 A 23 23 ALA HA H 21 4.019 4.126 -0.107 1
1 250 . 9 1 1 A 23 23 ALA C C 21 177.743 178.843 -1.100 1
1 251 . 9 1 1 A 23 23 ALA CA C 21 53.809 53.104 0.705 1
1 252 . 9 1 1 A 23 23 ALA CB C 21 18.688 18.673 0.015 1
1 253 . 9 1 1 A 23 23 ALA N N 21 117.354 120.183 -2.829 1
1 254 . 9 1 1 A 24 24 ASN H H 22 7.706 7.686 0.020 1
1 255 . 9 1 1 A 24 24 ASN HA H 22 4.906 4.480 0.426 1
1 260 . 9 1 1 A 24 24 ASN C C 22 174.889 175.440 -0.551 1
1 261 . 9 1 1 A 24 24 ASN CA C 22 52.590 55.043 -2.453 1
1 262 . 9 1 1 A 24 24 ASN CB C 22 40.335 38.953 1.382 1
1 263 . 9 1 1 A 24 24 ASN N N 22 112.797 116.173 -3.376 1
1 265 . 9 1 1 A 25 25 VAL H H 23 7.457 7.174 0.283 1
1 266 . 9 1 1 A 25 25 VAL HA H 23 4.326 4.259 0.067 1
1 274 . 9 1 1 A 25 25 VAL C C 23 174.594 175.836 -1.242 1
1 275 . 9 1 1 A 25 25 VAL CA C 23 62.406 62.867 -0.461 1
1 276 . 9 1 1 A 25 25 VAL CB C 23 33.445 32.361 1.084 1
1 278 . 9 1 1 A 25 25 VAL N N 23 118.772 117.516 1.256 1
1 279 . 9 1 1 A 26 26 LYS H H 24 9.261 9.359 -0.098 1
1 280 . 9 1 1 A 26 26 LYS HA H 24 4.406 4.427 -0.021 1
1 289 . 9 1 1 A 26 26 LYS C C 24 175.247 176.472 -1.225 1
1 290 . 9 1 1 A 26 26 LYS CA C 24 56.483 57.314 -0.831 1
1 291 . 9 1 1 A 26 26 LYS CB C 24 35.023 33.688 1.335 1
1 295 . 9 1 1 A 26 26 LYS N N 24 125.197 122.262 2.935 1
1 296 . 9 1 1 A 27 27 HIS H H 25 7.811 7.059 0.752 1
1 297 . 9 1 1 A 27 27 HIS HA H 25 4.627 4.929 -0.302 1
1 302 . 9 1 1 A 27 27 HIS C C 25 173.157 172.566 0.591 1
1 303 . 9 1 1 A 27 27 HIS CA C 25 55.463 55.835 -0.372 1
1 304 . 9 1 1 A 27 27 HIS CB C 25 31.832 32.965 -1.133 1
1 307 . 9 1 1 A 27 27 HIS N N 25 115.509 118.183 -2.674 1
1 308 . 9 1 1 A 28 28 LEU H H 26 8.311 9.076 -0.765 1
1 309 . 9 1 1 A 28 28 LEU HA H 26 4.991 4.885 0.106 1
1 319 . 9 1 1 A 28 28 LEU C C 26 175.514 175.430 0.084 1
1 320 . 9 1 1 A 28 28 LEU CA C 26 54.662 53.172 1.490 1
1 321 . 9 1 1 A 28 28 LEU CB C 26 45.594 43.578 2.016 1
1 325 . 9 1 1 A 29 29 LYS H H 27 9.003 9.324 -0.321 1
1 326 . 9 1 1 A 29 29 LYS HA H 27 4.578 4.963 -0.385 1
1 335 . 9 1 1 A 29 29 LYS C C 27 173.758 174.845 -1.087 1
1 336 . 9 1 1 A 29 29 LYS CA C 27 54.945 54.662 0.283 1
1 337 . 9 1 1 A 29 29 LYS CB C 27 36.358 35.557 0.801 1
1 341 . 9 1 1 A 29 29 LYS N N 27 122.740 125.537 -2.797 1
1 342 . 9 1 1 A 30 30 ILE H H 28 8.526 9.042 -0.516 1
1 343 . 9 1 1 A 30 30 ILE HA H 28 4.623 4.798 -0.175 1
1 353 . 9 1 1 A 30 30 ILE C C 28 175.988 174.467 1.521 1
1 354 . 9 1 1 A 30 30 ILE CA C 28 60.122 59.995 0.127 1
1 355 . 9 1 1 A 30 30 ILE CB C 28 38.795 38.793 0.002 1
1 359 . 9 1 1 A 30 30 ILE N N 28 123.517 127.905 -4.388 1
1 360 . 9 1 1 A 31 31 LEU H H 29 8.910 9.669 -0.759 1
1 361 . 9 1 1 A 31 31 LEU HA H 29 4.553 5.018 -0.465 1
1 371 . 9 1 1 A 31 31 LEU C C 29 176.005 175.504 0.501 1
1 372 . 9 1 1 A 31 31 LEU CA C 29 53.975 53.786 0.189 1
1 373 . 9 1 1 A 31 31 LEU CB C 29 43.485 44.618 -1.133 1
1 376 . 9 1 1 A 31 31 LEU N N 29 128.881 129.878 -0.997 1
1 377 . 9 1 1 A 32 32 ASN H H 30 8.710 8.856 -0.146 1
1 378 . 9 1 1 A 32 32 ASN HA H 30 4.954 5.396 -0.442 1
1 383 . 9 1 1 A 32 32 ASN C C 30 174.462 174.742 -0.280 1
1 384 . 9 1 1 A 32 32 ASN CA C 30 52.413 51.964 0.449 1
1 385 . 9 1 1 A 32 32 ASN CB C 30 39.232 39.818 -0.586 1
1 386 . 9 1 1 A 32 32 ASN N N 30 124.019 124.894 -0.875 1
1 388 . 9 1 1 A 33 33 THR H H 31 8.094 9.039 -0.945 1
1 389 . 9 1 1 A 33 33 THR HA H 31 4.628 4.763 -0.135 1
1 394 . 9 1 1 A 33 33 THR CA C 31 59.475 58.942 0.533 1
1 395 . 9 1 1 A 33 33 THR CB C 31 70.459 71.748 -1.289 1
1 397 . 9 1 1 A 33 33 THR N N 31 118.961 116.487 2.474 1
1 398 . 9 1 1 A 34 34 PRO HA H 32 4.206 4.334 -0.128 1
1 405 . 9 1 1 A 34 34 PRO C C 32 176.814 177.327 -0.513 1
1 406 . 9 1 1 A 34 34 PRO CA C 32 64.445 64.935 -0.490 1
1 407 . 9 1 1 A 34 34 PRO CB C 32 32.170 32.028 0.142 1
1 410 . 9 1 1 A 35 35 ASN H H 33 8.504 8.460 0.044 1
1 411 . 9 1 1 A 35 35 ASN HA H 33 4.342 4.905 -0.563 1
1 416 . 9 1 1 A 35 35 ASN C C 33 174.344 175.699 -1.355 1
1 417 . 9 1 1 A 35 35 ASN CA C 33 54.945 52.544 2.401 1
1 418 . 9 1 1 A 35 35 ASN CB C 33 38.122 39.632 -1.510 1
1 419 . 9 1 1 A 35 35 ASN N N 33 113.042 111.646 1.396 1
1 421 . 9 1 1 A 36 36 CYS H H 34 7.526 7.809 -0.283 1
1 422 . 9 1 1 A 36 36 CYS HA H 34 4.878 4.795 0.083 1
1 425 . 9 1 1 A 36 36 CYS C C 34 173.880 173.902 -0.022 1
1 426 . 9 1 1 A 36 36 CYS CA C 34 54.622 55.712 -1.090 1
1 427 . 9 1 1 A 36 36 CYS CB C 34 44.780 43.437 1.343 1
1 428 . 9 1 1 A 36 36 CYS N N 34 116.301 117.310 -1.009 1
1 429 . 9 1 1 A 37 37 ALA H H 35 8.395 7.495 0.900 1
1 430 . 9 1 1 A 37 37 ALA HA H 35 4.205 4.026 0.179 1
1 434 . 9 1 1 A 37 37 ALA C C 35 176.677 177.180 -0.503 1
1 435 . 9 1 1 A 37 37 ALA CA C 35 52.413 54.351 -1.938 1
1 436 . 9 1 1 A 37 37 ALA CB C 35 18.968 17.844 1.124 1
1 437 . 9 1 1 A 37 37 ALA N N 35 125.001 122.100 2.901 1
1 438 . 9 1 1 A 38 38 LEU H H 36 8.004 8.405 -0.401 1
1 439 . 9 1 1 A 38 38 LEU HA H 36 4.206 4.815 -0.609 1
1 449 . 9 1 1 A 38 38 LEU C C 36 176.194 175.813 0.381 1
1 450 . 9 1 1 A 38 38 LEU CA C 36 56.563 53.647 2.916 1
1 451 . 9 1 1 A 38 38 LEU CB C 36 42.465 42.767 -0.302 1
1 455 . 9 1 1 A 38 38 LEU N N 36 121.548 117.431 4.117 1
1 456 . 9 1 1 A 39 39 GLN H H 37 8.471 9.304 -0.833 1
1 457 . 9 1 1 A 39 39 GLN HA H 37 4.621 4.918 -0.297 1
1 464 . 9 1 1 A 39 39 GLN C C 37 173.581 174.802 -1.221 1
1 465 . 9 1 1 A 39 39 GLN CA C 37 54.172 55.617 -1.445 1
1 466 . 9 1 1 A 39 39 GLN CB C 37 32.461 30.041 2.420 1
1 468 . 9 1 1 A 39 39 GLN N N 37 123.271 124.607 -1.336 1
1 470 . 9 1 1 A 40 40 ILE H H 38 9.429 8.756 0.673 1
1 471 . 9 1 1 A 40 40 ILE HA H 38 4.718 4.767 -0.049 1
1 481 . 9 1 1 A 40 40 ILE C C 38 174.547 175.450 -0.903 1
1 482 . 9 1 1 A 40 40 ILE CA C 38 60.122 60.053 0.069 1
1 483 . 9 1 1 A 40 40 ILE CB C 38 38.899 39.425 -0.526 1
1 487 . 9 1 1 A 40 40 ILE N N 38 124.702 125.322 -0.620 1
1 488 . 9 1 1 A 41 41 VAL H H 39 8.872 9.038 -0.166 1
1 489 . 9 1 1 A 41 41 VAL HA H 39 5.027 5.040 -0.013 1
1 497 . 9 1 1 A 41 41 VAL C C 39 174.772 174.836 -0.064 1
1 498 . 9 1 1 A 41 41 VAL CA C 39 60.111 61.089 -0.978 1
1 499 . 9 1 1 A 41 41 VAL CB C 39 34.767 33.111 1.656 1
1 501 . 9 1 1 A 41 41 VAL N N 39 124.441 128.639 -4.198 1
1 502 . 9 1 1 A 42 42 ALA H H 40 9.305 9.139 0.166 1
1 503 . 9 1 1 A 42 42 ALA HA H 40 5.289 5.475 -0.186 1
1 507 . 9 1 1 A 42 42 ALA C C 40 175.955 175.476 0.479 1
1 508 . 9 1 1 A 42 42 ALA CA C 40 50.093 50.424 -0.331 1
1 509 . 9 1 1 A 42 42 ALA CB C 40 24.063 23.110 0.953 1
1 510 . 9 1 1 A 42 42 ALA N N 40 126.567 128.952 -2.385 1
1 511 . 9 1 1 A 43 43 ARG H H 41 8.393 8.607 -0.214 1
1 512 . 9 1 1 A 43 43 ARG HA H 41 5.119 5.419 -0.300 1
1 519 . 9 1 1 A 43 43 ARG C C 41 176.184 175.633 0.551 1
1 520 . 9 1 1 A 43 43 ARG CA C 41 53.900 54.644 -0.744 1
1 521 . 9 1 1 A 43 43 ARG CB C 41 32.306 33.185 -0.879 1
1 524 . 9 1 1 A 43 43 ARG N N 41 118.991 121.280 -2.289 1
1 525 . 9 1 1 A 44 44 LEU H H 42 9.010 8.880 0.130 1
1 526 . 9 1 1 A 44 44 LEU HA H 42 4.934 4.819 0.115 1
1 536 . 9 1 1 A 44 44 LEU C C 42 178.369 178.247 0.122 1
1 537 . 9 1 1 A 44 44 LEU CA C 42 54.329 54.023 0.306 1
1 538 . 9 1 1 A 44 44 LEU CB C 42 41.497 42.171 -0.674 1
1 542 . 9 1 1 A 44 44 LEU N N 42 125.764 124.509 1.255 1
1 543 . 9 1 1 A 45 45 LYS H H 43 8.474 9.190 -0.716 1
1 544 . 9 1 1 A 45 45 LYS HA H 43 3.821 3.899 -0.078 1
1 553 . 9 1 1 A 45 45 LYS CA C 43 59.340 59.780 -0.440 1
1 554 . 9 1 1 A 45 45 LYS CB C 43 33.445 32.511 0.934 1
1 558 . 9 1 1 A 45 45 LYS N N 43 120.489 122.640 -2.151 1
1 559 . 9 1 1 A 46 46 ASN H H 44 8.657 8.078 0.579 1
1 560 . 9 1 1 A 46 46 ASN HA H 44 4.433 4.439 -0.006 1
1 565 . 9 1 1 A 46 46 ASN C C 44 175.970 177.289 -1.319 1
1 566 . 9 1 1 A 46 46 ASN CA C 44 55.457 55.986 -0.529 1
1 567 . 9 1 1 A 46 46 ASN CB C 44 37.507 38.766 -1.259 1
1 569 . 9 1 1 A 47 47 ASN H H 45 7.566 7.864 -0.298 1
1 570 . 9 1 1 A 47 47 ASN HA H 45 4.654 4.818 -0.164 1
1 575 . 9 1 1 A 47 47 ASN C C 45 175.461 175.117 0.344 1
1 576 . 9 1 1 A 47 47 ASN CA C 45 52.769 54.177 -1.408 1
1 577 . 9 1 1 A 47 47 ASN CB C 45 39.203 39.179 0.024 1
1 578 . 9 1 1 A 47 47 ASN N N 45 115.277 116.107 -0.830 1
1 580 . 9 1 1 A 48 48 ASN H H 46 8.008 8.209 -0.201 1
1 581 . 9 1 1 A 48 48 ASN HA H 46 4.649 4.703 -0.054 1
1 586 . 9 1 1 A 48 48 ASN C C 46 174.812 174.161 0.651 1
1 587 . 9 1 1 A 48 48 ASN CA C 46 54.491 54.553 -0.062 1
1 588 . 9 1 1 A 48 48 ASN CB C 46 39.092 38.148 0.944 1
1 589 . 9 1 1 A 48 48 ASN N N 46 116.416 117.633 -1.217 1
1 591 . 9 1 1 A 49 49 ARG H H 47 7.918 7.864 0.054 1
1 592 . 9 1 1 A 49 49 ARG HA H 47 4.206 4.301 -0.095 1
1 599 . 9 1 1 A 49 49 ARG C C 47 175.719 175.215 0.504 1
1 600 . 9 1 1 A 49 49 ARG CA C 47 57.084 56.699 0.385 1
1 601 . 9 1 1 A 49 49 ARG CB C 47 31.785 31.074 0.711 1
1 604 . 9 1 1 A 49 49 ARG N N 47 120.017 120.262 -0.245 1
1 605 . 9 1 1 A 50 50 GLN H H 48 8.617 8.686 -0.069 1
1 606 . 9 1 1 A 50 50 GLN HA H 48 5.212 5.230 -0.018 1
1 613 . 9 1 1 A 50 50 GLN C C 48 175.697 175.161 0.536 1
1 614 . 9 1 1 A 50 50 GLN CA C 48 55.454 54.626 0.828 1
1 615 . 9 1 1 A 50 50 GLN CB C 48 30.953 30.518 0.435 1
1 617 . 9 1 1 A 50 50 GLN N N 48 123.029 122.565 0.464 1
1 619 . 9 1 1 A 51 51 VAL H H 49 9.009 9.361 -0.352 1
1 620 . 9 1 1 A 51 51 VAL HA H 49 4.747 4.853 -0.106 1
1 628 . 9 1 1 A 51 51 VAL C C 49 174.561 174.513 0.048 1
1 629 . 9 1 1 A 51 51 VAL CA C 49 59.266 58.836 0.430 1
1 630 . 9 1 1 A 51 51 VAL CB C 49 35.845 35.389 0.456 1
1 633 . 9 1 1 A 51 51 VAL N N 49 119.358 120.023 -0.665 1
1 634 . 9 1 1 A 52 52 CYS H H 50 8.850 8.507 0.343 1
1 635 . 9 1 1 A 52 52 CYS HA H 50 5.605 5.802 -0.197 1
1 638 . 9 1 1 A 52 52 CYS C C 50 174.469 173.569 0.900 1
1 639 . 9 1 1 A 52 52 CYS CA C 50 56.377 55.164 1.213 1
1 640 . 9 1 1 A 52 52 CYS CB C 50 44.694 42.770 1.924 1
1 641 . 9 1 1 A 52 52 CYS N N 50 120.834 119.971 0.863 1
1 642 . 9 1 1 A 53 53 ILE H H 51 8.656 9.877 -1.221 1
1 643 . 9 1 1 A 53 53 ILE HA H 51 4.461 4.673 -0.212 1
1 653 . 9 1 1 A 53 53 ILE C C 51 174.137 174.524 -0.387 1
1 654 . 9 1 1 A 53 53 ILE CA C 51 59.671 60.116 -0.445 1
1 655 . 9 1 1 A 53 53 ILE CB C 51 39.603 40.310 -0.707 1
1 659 . 9 1 1 A 53 53 ILE N N 51 122.740 126.662 -3.922 1
1 660 . 9 1 1 A 54 54 ASP H H 52 7.746 8.488 -0.742 1
1 661 . 9 1 1 A 54 54 ASP HA H 52 3.650 4.252 -0.602 1
1 664 . 9 1 1 A 54 54 ASP CA C 52 51.578 51.507 0.071 1
1 665 . 9 1 1 A 54 54 ASP CB C 52 42.384 42.281 0.103 1
1 666 . 9 1 1 A 54 54 ASP N N 52 126.398 126.137 0.261 1
1 667 . 9 1 1 A 55 55 PRO HA H 53 3.990 4.190 -0.200 1
1 674 . 9 1 1 A 55 55 PRO C C 53 176.274 176.929 -0.655 1
1 675 . 9 1 1 A 55 55 PRO CA C 53 63.546 64.243 -0.697 1
1 676 . 9 1 1 A 55 55 PRO CB C 53 32.272 31.823 0.449 1
1 679 . 9 1 1 A 56 56 LYS H H 54 8.054 8.573 -0.519 1
1 680 . 9 1 1 A 56 56 LYS HA H 54 3.954 4.142 -0.188 1
1 689 . 9 1 1 A 56 56 LYS C C 54 177.867 176.692 1.175 1
1 690 . 9 1 1 A 56 56 LYS CA C 54 56.189 57.159 -0.970 1
1 691 . 9 1 1 A 56 56 LYS CB C 54 31.680 31.585 0.095 1
1 695 . 9 1 1 A 56 56 LYS N N 54 115.161 115.795 -0.634 1
1 696 . 9 1 1 A 57 57 LEU H H 55 7.172 7.217 -0.045 1
1 697 . 9 1 1 A 57 57 LEU HA H 55 4.021 4.115 -0.094 1
1 707 . 9 1 1 A 57 57 LEU C C 55 179.221 177.433 1.788 1
1 708 . 9 1 1 A 57 57 LEU CA C 55 55.781 55.261 0.520 1
1 709 . 9 1 1 A 57 57 LEU CB C 55 41.739 41.533 0.206 1
1 713 . 9 1 1 A 57 57 LEU N N 55 120.921 122.170 -1.249 1
1 714 . 9 1 1 A 58 58 LYS H H 56 8.753 8.833 -0.080 1
1 715 . 9 1 1 A 58 58 LYS HA H 56 3.898 3.975 -0.077 1
1 724 . 9 1 1 A 58 58 LYS C C 56 179.161 178.301 0.860 1
1 725 . 9 1 1 A 58 58 LYS CA C 56 60.318 59.447 0.871 1
1 726 . 9 1 1 A 58 58 LYS CB C 56 32.100 32.197 -0.097 1
1 730 . 9 1 1 A 58 58 LYS N N 56 125.449 125.053 0.396 1
1 731 . 9 1 1 A 59 59 TRP H H 57 7.889 8.298 -0.409 1
1 732 . 9 1 1 A 59 59 TRP HA H 57 4.612 4.670 -0.058 1
1 741 . 9 1 1 A 59 59 TRP C C 57 178.642 179.342 -0.700 1
1 742 . 9 1 1 A 59 59 TRP CA C 57 58.388 59.903 -1.515 1
1 743 . 9 1 1 A 59 59 TRP CB C 57 27.954 28.033 -0.079 1
1 749 . 9 1 1 A 59 59 TRP N N 57 113.858 119.095 -5.237 1
1 751 . 9 1 1 A 60 60 ILE H H 58 6.296 7.405 -1.109 1
1 752 . 9 1 1 A 60 60 ILE HA H 58 3.627 3.317 0.310 1
1 762 . 9 1 1 A 60 60 ILE C C 58 177.104 177.567 -0.463 1
1 763 . 9 1 1 A 60 60 ILE CA C 58 61.605 64.502 -2.897 1
1 764 . 9 1 1 A 60 60 ILE CB C 58 36.043 36.497 -0.454 1
1 768 . 9 1 1 A 60 60 ILE N N 58 123.265 122.325 0.940 1
1 769 . 9 1 1 A 61 61 GLN H H 59 7.650 8.298 -0.648 1
1 770 . 9 1 1 A 61 61 GLN HA H 59 3.811 3.861 -0.050 1
1 777 . 9 1 1 A 61 61 GLN C C 59 178.933 178.800 0.133 1
1 778 . 9 1 1 A 61 61 GLN CA C 59 59.663 58.994 0.669 1
1 779 . 9 1 1 A 61 61 GLN CB C 59 27.972 28.312 -0.340 1
1 781 . 9 1 1 A 61 61 GLN N N 59 120.850 118.655 2.195 1
1 783 . 9 1 1 A 62 62 GLU H H 60 8.057 8.152 -0.095 1
1 784 . 9 1 1 A 62 62 GLU HA H 60 4.081 4.062 0.019 1
1 789 . 9 1 1 A 62 62 GLU C C 60 178.539 177.966 0.573 1
1 790 . 9 1 1 A 62 62 GLU CA C 60 59.152 59.553 -0.401 1
1 791 . 9 1 1 A 62 62 GLU CB C 60 29.896 29.575 0.321 1
1 793 . 9 1 1 A 62 62 GLU N N 60 117.976 121.110 -3.134 1
1 794 . 9 1 1 A 63 63 TYR H H 61 8.004 8.044 -0.040 1
1 795 . 9 1 1 A 63 63 TYR HA H 61 4.216 4.257 -0.041 1
1 802 . 9 1 1 A 63 63 TYR C C 61 178.157 177.094 1.063 1
1 803 . 9 1 1 A 63 63 TYR CA C 61 61.281 61.479 -0.198 1
1 804 . 9 1 1 A 63 63 TYR CB C 61 38.956 38.573 0.383 1
1 807 . 9 1 1 A 63 63 TYR N N 61 120.743 122.154 -1.411 1
1 808 . 9 1 1 A 64 64 LEU H H 62 8.460 8.640 -0.180 1
1 809 . 9 1 1 A 64 64 LEU HA H 62 3.850 3.540 0.310 1
1 819 . 9 1 1 A 64 64 LEU C C 62 178.678 179.016 -0.338 1
1 820 . 9 1 1 A 64 64 LEU CA C 62 57.619 57.556 0.063 1
1 821 . 9 1 1 A 64 64 LEU CB C 62 41.868 40.954 0.914 1
1 825 . 9 1 1 A 64 64 LEU N N 62 119.052 119.392 -0.340 1
1 826 . 9 1 1 A 65 65 GLU H H 63 7.850 8.160 -0.310 1
1 827 . 9 1 1 A 65 65 GLU HA H 63 3.974 3.824 0.150 1
1 832 . 9 1 1 A 65 65 GLU C C 63 178.447 178.601 -0.154 1
1 833 . 9 1 1 A 65 65 GLU CA C 63 59.143 60.000 -0.857 1
1 834 . 9 1 1 A 65 65 GLU CB C 63 29.721 29.110 0.611 1
1 836 . 9 1 1 A 65 65 GLU N N 63 118.310 119.966 -1.656 1
1 837 . 9 1 1 A 66 66 LYS H H 64 7.648 8.237 -0.589 1
1 838 . 9 1 1 A 66 66 LYS HA H 64 4.156 3.984 0.172 1
1 847 . 9 1 1 A 66 66 LYS C C 64 177.941 178.689 -0.748 1
1 848 . 9 1 1 A 66 66 LYS CA C 64 57.820 59.420 -1.600 1
1 849 . 9 1 1 A 66 66 LYS CB C 64 32.620 32.272 0.348 1
1 853 . 9 1 1 A 66 66 LYS N N 64 117.638 119.816 -2.178 1
1 854 . 9 1 1 A 67 67 ALA H H 65 8.004 7.898 0.106 1
1 855 . 9 1 1 A 67 67 ALA HA H 65 4.068 4.019 0.049 1
1 859 . 9 1 1 A 67 67 ALA C C 65 178.624 180.245 -1.621 1
1 860 . 9 1 1 A 67 67 ALA CA C 65 53.790 54.742 -0.952 1
1 861 . 9 1 1 A 67 67 ALA CB C 65 19.082 18.272 0.810 1
1 862 . 9 1 1 A 67 67 ALA N N 65 121.228 120.481 0.747 1
1 863 . 9 1 1 A 68 68 LEU H H 66 7.791 8.372 -0.581 1
1 864 . 9 1 1 A 68 68 LEU HA H 66 4.274 4.010 0.264 1
1 874 . 9 1 1 A 68 68 LEU CA C 66 55.593 57.571 -1.978 1
1 875 . 9 1 1 A 68 68 LEU CB C 66 42.329 41.777 0.552 1
1 878 . 9 1 1 A 68 68 LEU N N 66 116.882 119.933 -3.051 1
1 879 . 9 1 1 A 69 69 ASN H H 67 7.914 8.083 -0.169 1
1 880 . 9 1 1 A 69 69 ASN HA H 67 4.803 4.622 0.181 1
1 885 . 9 1 1 A 69 69 ASN C C 67 174.039 176.689 -2.650 1
1 886 . 9 1 1 A 69 69 ASN CA C 67 53.434 54.967 -1.533 1
1 887 . 9 1 1 A 69 69 ASN CB C 67 39.601 38.557 1.044 1
1 888 . 9 1 1 A 69 69 ASN N N 67 118.309 118.148 0.161 1
1 18 . 10 1 1 A 4 4 PRO HA H 2 4.416 4.766 -0.350 1
1 25 . 10 1 1 A 4 4 PRO C C 2 176.996 175.836 1.160 1
1 26 . 10 1 1 A 4 4 PRO CA C 2 63.494 62.459 1.035 1
1 27 . 10 1 1 A 4 4 PRO CB C 2 32.161 29.728 2.433 1
1 30 . 10 1 1 A 5 5 VAL H H 3 8.227 8.314 -0.087 1
1 31 . 10 1 1 A 5 5 VAL HA H 3 4.058 4.643 -0.585 1
1 39 . 10 1 1 A 5 5 VAL C C 3 176.376 174.219 2.157 1
1 40 . 10 1 1 A 5 5 VAL CA C 3 62.495 60.785 1.710 1
1 41 . 10 1 1 A 5 5 VAL CB C 3 32.808 35.007 -2.199 1
1 43 . 10 1 1 A 5 5 VAL N N 3 121.008 124.564 -3.556 1
1 44 . 10 1 1 A 6 6 SER H H 4 8.270 8.756 -0.486 1
1 45 . 10 1 1 A 6 6 SER HA H 4 4.409 4.620 -0.211 1
1 48 . 10 1 1 A 6 6 SER C C 4 174.577 173.930 0.647 1
1 49 . 10 1 1 A 6 6 SER CA C 4 58.148 56.934 1.214 1
1 50 . 10 1 1 A 6 6 SER CB C 4 63.870 63.860 0.010 1
1 51 . 10 1 1 A 6 6 SER N N 4 119.573 121.886 -2.313 1
1 52 . 10 1 1 A 7 7 LEU H H 5 8.273 8.866 -0.593 1
1 53 . 10 1 1 A 7 7 LEU HA H 5 4.320 4.615 -0.295 1
1 63 . 10 1 1 A 7 7 LEU C C 5 177.341 176.724 0.617 1
1 64 . 10 1 1 A 7 7 LEU CA C 5 55.388 54.942 0.446 1
1 65 . 10 1 1 A 7 7 LEU CB C 5 42.650 44.382 -1.732 1
1 68 . 10 1 1 A 7 7 LEU N N 5 125.039 131.201 -6.162 1
1 69 . 10 1 1 A 8 8 SER H H 6 8.127 7.782 0.345 1
1 70 . 10 1 1 A 8 8 SER HA H 6 4.335 4.953 -0.618 1
1 73 . 10 1 1 A 8 8 SER C C 6 174.189 173.716 0.473 1
1 74 . 10 1 1 A 8 8 SER CA C 6 58.433 56.894 1.539 1
1 75 . 10 1 1 A 8 8 SER CB C 6 63.870 63.278 0.592 1
1 76 . 10 1 1 A 8 8 SER N N 6 116.154 111.996 4.158 1
1 77 . 10 1 1 A 9 9 TYR H H 7 7.971 8.348 -0.377 1
1 78 . 10 1 1 A 9 9 TYR HA H 7 4.502 4.484 0.018 1
1 85 . 10 1 1 A 9 9 TYR C C 7 175.520 177.065 -1.545 1
1 86 . 10 1 1 A 9 9 TYR CA C 7 58.008 59.931 -1.923 1
1 87 . 10 1 1 A 9 9 TYR CB C 7 38.956 39.717 -0.761 1
1 90 . 10 1 1 A 9 9 TYR N N 7 122.213 124.977 -2.764 1
1 91 . 10 1 1 A 10 10 ARG H H 8 8.118 8.011 0.107 1
1 92 . 10 1 1 A 10 10 ARG HA H 8 4.253 4.209 0.044 1
1 99 . 10 1 1 A 10 10 ARG C C 8 175.918 175.254 0.664 1
1 100 . 10 1 1 A 10 10 ARG CA C 8 56.104 57.587 -1.483 1
1 101 . 10 1 1 A 10 10 ARG CB C 8 30.875 31.086 -0.211 1
1 104 . 10 1 1 A 10 10 ARG N N 8 122.182 118.412 3.770 1
1 105 . 10 1 1 A 11 11 CYS H H 9 8.097 7.991 0.106 1
1 106 . 10 1 1 A 11 11 CYS HA H 9 4.909 5.000 -0.091 1
1 109 . 10 1 1 A 11 11 CYS C C 9 173.615 173.395 0.220 1
1 110 . 10 1 1 A 11 11 CYS CA C 9 53.127 53.963 -0.836 1
1 111 . 10 1 1 A 11 11 CYS CB C 9 40.218 43.981 -3.763 1
1 112 . 10 1 1 A 11 11 CYS N N 9 121.280 115.256 6.024 1
1 113 . 10 1 1 A 12 12 PRO HA H 10 4.275 4.310 -0.035 1
1 120 . 10 1 1 A 12 12 PRO C C 10 177.703 176.234 1.469 1
1 121 . 10 1 1 A 12 12 PRO CA C 10 64.859 64.633 0.226 1
1 122 . 10 1 1 A 12 12 PRO CB C 10 32.508 31.893 0.615 1
1 125 . 10 1 1 A 13 13 CYS H H 11 8.248 7.566 0.682 1
1 126 . 10 1 1 A 13 13 CYS HA H 11 4.827 4.787 0.040 1
1 129 . 10 1 1 A 13 13 CYS C C 11 174.202 172.278 1.924 1
1 130 . 10 1 1 A 13 13 CYS CA C 11 53.429 55.053 -1.624 1
1 131 . 10 1 1 A 13 13 CYS CB C 11 39.603 45.306 -5.703 1
1 132 . 10 1 1 A 13 13 CYS N N 11 114.161 115.520 -1.359 1
1 133 . 10 1 1 A 14 14 ARG HA H 12 3.984 4.537 -0.553 1
1 140 . 10 1 1 A 14 14 ARG C C 12 175.202 175.416 -0.214 1
1 141 . 10 1 1 A 14 14 ARG CA C 12 57.293 56.154 1.139 1
1 142 . 10 1 1 A 14 14 ARG CB C 12 31.098 32.347 -1.249 1
1 145 . 10 1 1 A 15 15 PHE H H 13 7.524 6.972 0.552 1
1 146 . 10 1 1 A 15 15 PHE HA H 13 4.488 4.786 -0.298 1
1 154 . 10 1 1 A 15 15 PHE C C 13 174.226 172.693 1.533 1
1 155 . 10 1 1 A 15 15 PHE CA C 13 55.971 55.761 0.210 1
1 156 . 10 1 1 A 15 15 PHE CB C 13 41.059 41.902 -0.843 1
1 160 . 10 1 1 A 15 15 PHE N N 13 116.175 115.991 0.184 1
1 161 . 10 1 1 A 16 16 PHE H H 14 8.309 9.067 -0.758 1
1 162 . 10 1 1 A 16 16 PHE HA H 14 4.794 5.000 -0.206 1
1 170 . 10 1 1 A 16 16 PHE C C 14 175.247 175.829 -0.582 1
1 171 . 10 1 1 A 16 16 PHE CA C 14 55.559 56.630 -1.071 1
1 172 . 10 1 1 A 16 16 PHE CB C 14 41.220 41.817 -0.597 1
1 176 . 10 1 1 A 16 16 PHE N N 14 119.656 120.108 -0.452 1
1 177 . 10 1 1 A 17 17 GLU H H 15 8.904 9.745 -0.841 1
1 178 . 10 1 1 A 17 17 GLU HA H 15 4.525 4.780 -0.255 1
1 183 . 10 1 1 A 17 17 GLU C C 15 176.747 177.434 -0.687 1
1 184 . 10 1 1 A 17 17 GLU CA C 15 56.012 56.293 -0.281 1
1 185 . 10 1 1 A 17 17 GLU CB C 15 30.894 31.821 -0.927 1
1 187 . 10 1 1 A 17 17 GLU N N 15 122.929 122.414 0.515 1
1 188 . 10 1 1 A 18 18 SER H H 16 8.752 8.744 0.008 1
1 189 . 10 1 1 A 18 18 SER HA H 16 4.708 4.865 -0.157 1
1 192 . 10 1 1 A 18 18 SER C C 16 174.278 175.154 -0.876 1
1 193 . 10 1 1 A 18 18 SER CA C 16 59.799 57.758 2.041 1
1 194 . 10 1 1 A 18 18 SER CB C 16 64.023 64.314 -0.291 1
1 195 . 10 1 1 A 18 18 SER N N 16 119.679 114.823 4.856 1
1 196 . 10 1 1 A 19 19 HIS H H 17 9.044 8.164 0.880 1
1 197 . 10 1 1 A 19 19 HIS HA H 17 4.873 4.855 0.018 1
1 202 . 10 1 1 A 19 19 HIS C C 17 174.580 175.169 -0.589 1
1 203 . 10 1 1 A 19 19 HIS CA C 17 56.240 55.224 1.016 1
1 204 . 10 1 1 A 19 19 HIS CB C 17 28.272 29.734 -1.462 1
1 207 . 10 1 1 A 19 19 HIS N N 17 120.269 119.778 0.491 1
1 208 . 10 1 1 A 20 20 VAL H H 18 7.212 7.682 -0.470 1
1 209 . 10 1 1 A 20 20 VAL HA H 18 4.226 3.964 0.262 1
1 217 . 10 1 1 A 20 20 VAL C C 18 174.138 175.365 -1.227 1
1 218 . 10 1 1 A 20 20 VAL CA C 18 61.605 62.392 -0.787 1
1 219 . 10 1 1 A 20 20 VAL CB C 18 34.102 32.749 1.353 1
1 221 . 10 1 1 A 20 20 VAL N N 18 119.528 120.361 -0.833 1
1 222 . 10 1 1 A 21 21 ALA H H 19 8.553 8.096 0.457 1
1 223 . 10 1 1 A 21 21 ALA HA H 19 4.340 4.444 -0.104 1
1 227 . 10 1 1 A 21 21 ALA C C 19 177.514 177.401 0.113 1
1 228 . 10 1 1 A 21 21 ALA CA C 19 50.666 50.282 0.384 1
1 229 . 10 1 1 A 21 21 ALA CB C 19 19.660 20.679 -1.019 1
1 230 . 10 1 1 A 21 21 ALA N N 19 131.180 129.517 1.663 1
1 231 . 10 1 1 A 22 22 ARG H H 20 7.726 8.144 -0.418 1
1 232 . 10 1 1 A 22 22 ARG HA H 20 2.590 2.976 -0.386 1
1 239 . 10 1 1 A 22 22 ARG C C 20 178.531 176.946 1.585 1
1 240 . 10 1 1 A 22 22 ARG CA C 20 59.155 58.150 1.005 1
1 241 . 10 1 1 A 22 22 ARG CB C 20 29.167 29.424 -0.257 1
1 244 . 10 1 1 A 22 22 ARG N N 20 124.436 122.901 1.535 1
1 245 . 10 1 1 A 23 23 ALA H H 21 8.150 7.423 0.727 1
1 246 . 10 1 1 A 23 23 ALA HA H 21 4.019 4.116 -0.097 1
1 250 . 10 1 1 A 23 23 ALA C C 21 177.743 177.682 0.061 1
1 251 . 10 1 1 A 23 23 ALA CA C 21 53.809 53.228 0.581 1
1 252 . 10 1 1 A 23 23 ALA CB C 21 18.688 18.753 -0.065 1
1 253 . 10 1 1 A 23 23 ALA N N 21 117.354 120.983 -3.629 1
1 254 . 10 1 1 A 24 24 ASN H H 22 7.706 7.876 -0.170 1
1 255 . 10 1 1 A 24 24 ASN HA H 22 4.906 4.822 0.084 1
1 260 . 10 1 1 A 24 24 ASN C C 22 174.889 174.913 -0.024 1
1 261 . 10 1 1 A 24 24 ASN CA C 22 52.590 52.460 0.130 1
1 262 . 10 1 1 A 24 24 ASN CB C 22 40.335 38.825 1.510 1
1 263 . 10 1 1 A 24 24 ASN N N 22 112.797 115.358 -2.561 1
1 265 . 10 1 1 A 25 25 VAL H H 23 7.457 7.320 0.137 1
1 266 . 10 1 1 A 25 25 VAL HA H 23 4.326 4.366 -0.040 1
1 274 . 10 1 1 A 25 25 VAL C C 23 174.594 176.336 -1.742 1
1 275 . 10 1 1 A 25 25 VAL CA C 23 62.406 60.782 1.624 1
1 276 . 10 1 1 A 25 25 VAL CB C 23 33.445 32.942 0.503 1
1 278 . 10 1 1 A 25 25 VAL N N 23 118.772 119.426 -0.654 1
1 279 . 10 1 1 A 26 26 LYS H H 24 9.261 9.133 0.128 1
1 280 . 10 1 1 A 26 26 LYS HA H 24 4.406 4.360 0.046 1
1 289 . 10 1 1 A 26 26 LYS C C 24 175.247 176.205 -0.958 1
1 290 . 10 1 1 A 26 26 LYS CA C 24 56.483 57.690 -1.207 1
1 291 . 10 1 1 A 26 26 LYS CB C 24 35.023 33.389 1.634 1
1 295 . 10 1 1 A 26 26 LYS N N 24 125.197 124.351 0.846 1
1 296 . 10 1 1 A 27 27 HIS H H 25 7.811 7.537 0.274 1
1 297 . 10 1 1 A 27 27 HIS HA H 25 4.627 4.950 -0.323 1
1 302 . 10 1 1 A 27 27 HIS C C 25 173.157 172.365 0.792 1
1 303 . 10 1 1 A 27 27 HIS CA C 25 55.463 55.716 -0.253 1
1 304 . 10 1 1 A 27 27 HIS CB C 25 31.832 32.913 -1.081 1
1 307 . 10 1 1 A 27 27 HIS N N 25 115.509 118.188 -2.679 1
1 308 . 10 1 1 A 28 28 LEU H H 26 8.311 9.041 -0.730 1
1 309 . 10 1 1 A 28 28 LEU HA H 26 4.991 4.872 0.119 1
1 319 . 10 1 1 A 28 28 LEU C C 26 175.514 174.440 1.074 1
1 320 . 10 1 1 A 28 28 LEU CA C 26 54.662 53.614 1.048 1
1 321 . 10 1 1 A 28 28 LEU CB C 26 45.594 45.020 0.574 1
1 325 . 10 1 1 A 29 29 LYS H H 27 9.003 9.214 -0.211 1
1 326 . 10 1 1 A 29 29 LYS HA H 27 4.578 4.941 -0.363 1
1 335 . 10 1 1 A 29 29 LYS C C 27 173.758 174.665 -0.907 1
1 336 . 10 1 1 A 29 29 LYS CA C 27 54.945 54.594 0.351 1
1 337 . 10 1 1 A 29 29 LYS CB C 27 36.358 35.624 0.734 1
1 341 . 10 1 1 A 29 29 LYS N N 27 122.740 127.176 -4.436 1
1 342 . 10 1 1 A 30 30 ILE H H 28 8.526 9.026 -0.500 1
1 343 . 10 1 1 A 30 30 ILE HA H 28 4.623 4.805 -0.182 1
1 353 . 10 1 1 A 30 30 ILE C C 28 175.988 174.061 1.927 1
1 354 . 10 1 1 A 30 30 ILE CA C 28 60.122 59.477 0.645 1
1 355 . 10 1 1 A 30 30 ILE CB C 28 38.795 39.250 -0.455 1
1 359 . 10 1 1 A 30 30 ILE N N 28 123.517 127.956 -4.439 1
1 360 . 10 1 1 A 31 31 LEU H H 29 8.910 9.662 -0.752 1
1 361 . 10 1 1 A 31 31 LEU HA H 29 4.553 5.183 -0.630 1
1 371 . 10 1 1 A 31 31 LEU C C 29 176.005 175.115 0.890 1
1 372 . 10 1 1 A 31 31 LEU CA C 29 53.975 53.428 0.547 1
1 373 . 10 1 1 A 31 31 LEU CB C 29 43.485 45.222 -1.737 1
1 376 . 10 1 1 A 31 31 LEU N N 29 128.881 130.059 -1.178 1
1 377 . 10 1 1 A 32 32 ASN H H 30 8.710 8.990 -0.280 1
1 378 . 10 1 1 A 32 32 ASN HA H 30 4.954 5.438 -0.484 1
1 383 . 10 1 1 A 32 32 ASN C C 30 174.462 174.499 -0.037 1
1 384 . 10 1 1 A 32 32 ASN CA C 30 52.413 51.749 0.664 1
1 385 . 10 1 1 A 32 32 ASN CB C 30 39.232 39.770 -0.538 1
1 386 . 10 1 1 A 32 32 ASN N N 30 124.019 124.814 -0.795 1
1 388 . 10 1 1 A 33 33 THR H H 31 8.094 8.760 -0.666 1
1 389 . 10 1 1 A 33 33 THR HA H 31 4.628 4.748 -0.120 1
1 394 . 10 1 1 A 33 33 THR CA C 31 59.475 58.975 0.500 1
1 395 . 10 1 1 A 33 33 THR CB C 31 70.459 71.447 -0.988 1
1 397 . 10 1 1 A 33 33 THR N N 31 118.961 118.568 0.393 1
1 398 . 10 1 1 A 34 34 PRO HA H 32 4.206 4.474 -0.268 1
1 405 . 10 1 1 A 34 34 PRO C C 32 176.814 175.833 0.981 1
1 406 . 10 1 1 A 34 34 PRO CA C 32 64.445 63.873 0.572 1
1 407 . 10 1 1 A 34 34 PRO CB C 32 32.170 31.732 0.438 1
1 410 . 10 1 1 A 35 35 ASN H H 33 8.504 8.371 0.133 1
1 411 . 10 1 1 A 35 35 ASN HA H 33 4.342 4.929 -0.587 1
1 416 . 10 1 1 A 35 35 ASN C C 33 174.344 175.358 -1.014 1
1 417 . 10 1 1 A 35 35 ASN CA C 33 54.945 53.001 1.944 1
1 418 . 10 1 1 A 35 35 ASN CB C 33 38.122 39.671 -1.549 1
1 419 . 10 1 1 A 35 35 ASN N N 33 113.042 117.285 -4.243 1
1 421 . 10 1 1 A 36 36 CYS H H 34 7.526 8.061 -0.535 1
1 422 . 10 1 1 A 36 36 CYS HA H 34 4.878 4.861 0.017 1
1 425 . 10 1 1 A 36 36 CYS C C 34 173.880 173.602 0.278 1
1 426 . 10 1 1 A 36 36 CYS CA C 34 54.622 57.240 -2.618 1
1 427 . 10 1 1 A 36 36 CYS CB C 34 44.780 44.664 0.116 1
1 428 . 10 1 1 A 36 36 CYS N N 34 116.301 116.387 -0.086 1
1 429 . 10 1 1 A 37 37 ALA H H 35 8.395 7.305 1.090 1
1 430 . 10 1 1 A 37 37 ALA HA H 35 4.205 4.464 -0.259 1
1 434 . 10 1 1 A 37 37 ALA C C 35 176.677 174.868 1.809 1
1 435 . 10 1 1 A 37 37 ALA CA C 35 52.413 51.653 0.760 1
1 436 . 10 1 1 A 37 37 ALA CB C 35 18.968 21.799 -2.831 1
1 437 . 10 1 1 A 37 37 ALA N N 35 125.001 118.172 6.829 1
1 438 . 10 1 1 A 38 38 LEU H H 36 8.004 8.416 -0.412 1
1 439 . 10 1 1 A 38 38 LEU HA H 36 4.206 4.673 -0.467 1
1 449 . 10 1 1 A 38 38 LEU C C 36 176.194 174.440 1.754 1
1 450 . 10 1 1 A 38 38 LEU CA C 36 56.563 54.118 2.445 1
1 451 . 10 1 1 A 38 38 LEU CB C 36 42.465 43.248 -0.783 1
1 455 . 10 1 1 A 38 38 LEU N N 36 121.548 120.851 0.697 1
1 456 . 10 1 1 A 39 39 GLN H H 37 8.471 9.102 -0.631 1
1 457 . 10 1 1 A 39 39 GLN HA H 37 4.621 4.472 0.149 1
1 464 . 10 1 1 A 39 39 GLN C C 37 173.581 174.437 -0.856 1
1 465 . 10 1 1 A 39 39 GLN CA C 37 54.172 55.220 -1.048 1
1 466 . 10 1 1 A 39 39 GLN CB C 37 32.461 29.896 2.565 1
1 468 . 10 1 1 A 39 39 GLN N N 37 123.271 125.806 -2.535 1
1 470 . 10 1 1 A 40 40 ILE H H 38 9.429 8.134 1.295 1
1 471 . 10 1 1 A 40 40 ILE HA H 38 4.718 4.661 0.057 1
1 481 . 10 1 1 A 40 40 ILE C C 38 174.547 175.408 -0.861 1
1 482 . 10 1 1 A 40 40 ILE CA C 38 60.122 60.173 -0.051 1
1 483 . 10 1 1 A 40 40 ILE CB C 38 38.899 39.645 -0.746 1
1 487 . 10 1 1 A 40 40 ILE N N 38 124.702 125.043 -0.341 1
1 488 . 10 1 1 A 41 41 VAL H H 39 8.872 9.198 -0.326 1
1 489 . 10 1 1 A 41 41 VAL HA H 39 5.027 5.035 -0.008 1
1 497 . 10 1 1 A 41 41 VAL C C 39 174.772 174.549 0.223 1
1 498 . 10 1 1 A 41 41 VAL CA C 39 60.111 60.900 -0.789 1
1 499 . 10 1 1 A 41 41 VAL CB C 39 34.767 33.864 0.903 1
1 501 . 10 1 1 A 41 41 VAL N N 39 124.441 127.168 -2.727 1
1 502 . 10 1 1 A 42 42 ALA H H 40 9.305 9.274 0.031 1
1 503 . 10 1 1 A 42 42 ALA HA H 40 5.289 5.230 0.059 1
1 507 . 10 1 1 A 42 42 ALA C C 40 175.955 174.631 1.324 1
1 508 . 10 1 1 A 42 42 ALA CA C 40 50.093 50.883 -0.790 1
1 509 . 10 1 1 A 42 42 ALA CB C 40 24.063 22.920 1.143 1
1 510 . 10 1 1 A 42 42 ALA N N 40 126.567 128.328 -1.761 1
1 511 . 10 1 1 A 43 43 ARG H H 41 8.393 8.343 0.050 1
1 512 . 10 1 1 A 43 43 ARG HA H 41 5.119 5.206 -0.087 1
1 519 . 10 1 1 A 43 43 ARG C C 41 176.184 175.394 0.790 1
1 520 . 10 1 1 A 43 43 ARG CA C 41 53.900 54.947 -1.047 1
1 521 . 10 1 1 A 43 43 ARG CB C 41 32.306 32.321 -0.015 1
1 524 . 10 1 1 A 43 43 ARG N N 41 118.991 122.789 -3.798 1
1 525 . 10 1 1 A 44 44 LEU H H 42 9.010 9.318 -0.308 1
1 526 . 10 1 1 A 44 44 LEU HA H 42 4.934 5.126 -0.192 1
1 536 . 10 1 1 A 44 44 LEU C C 42 178.369 177.064 1.305 1
1 537 . 10 1 1 A 44 44 LEU CA C 42 54.329 53.987 0.342 1
1 538 . 10 1 1 A 44 44 LEU CB C 42 41.497 42.572 -1.075 1
1 542 . 10 1 1 A 44 44 LEU N N 42 125.764 126.581 -0.817 1
1 543 . 10 1 1 A 45 45 LYS H H 43 8.474 9.442 -0.968 1
1 544 . 10 1 1 A 45 45 LYS HA H 43 3.821 4.029 -0.208 1
1 553 . 10 1 1 A 45 45 LYS CA C 43 59.340 59.196 0.144 1
1 554 . 10 1 1 A 45 45 LYS CB C 43 33.445 32.836 0.609 1
1 558 . 10 1 1 A 45 45 LYS N N 43 120.489 122.377 -1.888 1
1 559 . 10 1 1 A 46 46 ASN H H 44 8.657 7.893 0.764 1
1 560 . 10 1 1 A 46 46 ASN HA H 44 4.433 4.453 -0.020 1
1 565 . 10 1 1 A 46 46 ASN C C 44 175.970 177.335 -1.365 1
1 566 . 10 1 1 A 46 46 ASN CA C 44 55.457 55.958 -0.501 1
1 567 . 10 1 1 A 46 46 ASN CB C 44 37.507 38.438 -0.931 1
1 569 . 10 1 1 A 47 47 ASN H H 45 7.566 7.865 -0.299 1
1 570 . 10 1 1 A 47 47 ASN HA H 45 4.654 4.771 -0.117 1
1 575 . 10 1 1 A 47 47 ASN C C 45 175.461 175.193 0.268 1
1 576 . 10 1 1 A 47 47 ASN CA C 45 52.769 54.970 -2.201 1
1 577 . 10 1 1 A 47 47 ASN CB C 45 39.203 39.147 0.056 1
1 578 . 10 1 1 A 47 47 ASN N N 45 115.277 116.591 -1.314 1
1 580 . 10 1 1 A 48 48 ASN H H 46 8.008 8.072 -0.064 1
1 581 . 10 1 1 A 48 48 ASN HA H 46 4.649 4.497 0.152 1
1 586 . 10 1 1 A 48 48 ASN C C 46 174.812 174.014 0.798 1
1 587 . 10 1 1 A 48 48 ASN CA C 46 54.491 54.556 -0.065 1
1 588 . 10 1 1 A 48 48 ASN CB C 46 39.092 38.252 0.840 1
1 589 . 10 1 1 A 48 48 ASN N N 46 116.416 117.580 -1.164 1
1 591 . 10 1 1 A 49 49 ARG H H 47 7.918 7.859 0.059 1
1 592 . 10 1 1 A 49 49 ARG HA H 47 4.206 4.428 -0.222 1
1 599 . 10 1 1 A 49 49 ARG C C 47 175.719 174.700 1.019 1
1 600 . 10 1 1 A 49 49 ARG CA C 47 57.084 55.877 1.207 1
1 601 . 10 1 1 A 49 49 ARG CB C 47 31.785 31.281 0.504 1
1 604 . 10 1 1 A 49 49 ARG N N 47 120.017 119.903 0.114 1
1 605 . 10 1 1 A 50 50 GLN H H 48 8.617 8.628 -0.011 1
1 606 . 10 1 1 A 50 50 GLN HA H 48 5.212 5.079 0.133 1
1 613 . 10 1 1 A 50 50 GLN C C 48 175.697 175.249 0.448 1
1 614 . 10 1 1 A 50 50 GLN CA C 48 55.454 54.529 0.925 1
1 615 . 10 1 1 A 50 50 GLN CB C 48 30.953 30.849 0.104 1
1 617 . 10 1 1 A 50 50 GLN N N 48 123.029 122.716 0.313 1
1 619 . 10 1 1 A 51 51 VAL H H 49 9.009 9.341 -0.332 1
1 620 . 10 1 1 A 51 51 VAL HA H 49 4.747 4.932 -0.185 1
1 628 . 10 1 1 A 51 51 VAL C C 49 174.561 174.668 -0.107 1
1 629 . 10 1 1 A 51 51 VAL CA C 49 59.266 58.737 0.529 1
1 630 . 10 1 1 A 51 51 VAL CB C 49 35.845 35.541 0.304 1
1 633 . 10 1 1 A 51 51 VAL N N 49 119.358 119.336 0.022 1
1 634 . 10 1 1 A 52 52 CYS H H 50 8.850 8.510 0.340 1
1 635 . 10 1 1 A 52 52 CYS HA H 50 5.605 5.682 -0.077 1
1 638 . 10 1 1 A 52 52 CYS C C 50 174.469 172.538 1.931 1
1 639 . 10 1 1 A 52 52 CYS CA C 50 56.377 54.726 1.651 1
1 640 . 10 1 1 A 52 52 CYS CB C 50 44.694 44.399 0.295 1
1 641 . 10 1 1 A 52 52 CYS N N 50 120.834 119.095 1.739 1
1 642 . 10 1 1 A 53 53 ILE H H 51 8.656 9.233 -0.577 1
1 643 . 10 1 1 A 53 53 ILE HA H 51 4.461 4.751 -0.290 1
1 653 . 10 1 1 A 53 53 ILE C C 51 174.137 174.290 -0.153 1
1 654 . 10 1 1 A 53 53 ILE CA C 51 59.671 59.831 -0.160 1
1 655 . 10 1 1 A 53 53 ILE CB C 51 39.603 41.895 -2.292 1
1 659 . 10 1 1 A 53 53 ILE N N 51 122.740 123.806 -1.066 1
1 660 . 10 1 1 A 54 54 ASP H H 52 7.746 8.382 -0.636 1
1 661 . 10 1 1 A 54 54 ASP HA H 52 3.650 4.427 -0.777 1
1 664 . 10 1 1 A 54 54 ASP CA C 52 51.578 51.688 -0.110 1
1 665 . 10 1 1 A 54 54 ASP CB C 52 42.384 42.362 0.022 1
1 666 . 10 1 1 A 54 54 ASP N N 52 126.398 126.291 0.107 1
1 667 . 10 1 1 A 55 55 PRO HA H 53 3.990 4.300 -0.310 1
1 674 . 10 1 1 A 55 55 PRO C C 53 176.274 176.934 -0.660 1
1 675 . 10 1 1 A 55 55 PRO CA C 53 63.546 64.010 -0.464 1
1 676 . 10 1 1 A 55 55 PRO CB C 53 32.272 31.558 0.714 1
1 679 . 10 1 1 A 56 56 LYS H H 54 8.054 8.436 -0.382 1
1 680 . 10 1 1 A 56 56 LYS HA H 54 3.954 4.306 -0.352 1
1 689 . 10 1 1 A 56 56 LYS C C 54 177.867 176.553 1.314 1
1 690 . 10 1 1 A 56 56 LYS CA C 54 56.189 56.169 0.020 1
1 691 . 10 1 1 A 56 56 LYS CB C 54 31.680 32.064 -0.384 1
1 695 . 10 1 1 A 56 56 LYS N N 54 115.161 115.304 -0.143 1
1 696 . 10 1 1 A 57 57 LEU H H 55 7.172 6.838 0.334 1
1 697 . 10 1 1 A 57 57 LEU HA H 55 4.021 4.148 -0.127 1
1 707 . 10 1 1 A 57 57 LEU C C 55 179.221 177.671 1.550 1
1 708 . 10 1 1 A 57 57 LEU CA C 55 55.781 55.250 0.531 1
1 709 . 10 1 1 A 57 57 LEU CB C 55 41.739 41.627 0.112 1
1 713 . 10 1 1 A 57 57 LEU N N 55 120.921 123.150 -2.229 1
1 714 . 10 1 1 A 58 58 LYS H H 56 8.753 8.806 -0.053 1
1 715 . 10 1 1 A 58 58 LYS HA H 56 3.898 3.976 -0.078 1
1 724 . 10 1 1 A 58 58 LYS C C 56 179.161 178.352 0.809 1
1 725 . 10 1 1 A 58 58 LYS CA C 56 60.318 59.530 0.788 1
1 726 . 10 1 1 A 58 58 LYS CB C 56 32.100 32.081 0.019 1
1 730 . 10 1 1 A 58 58 LYS N N 56 125.449 124.636 0.813 1
1 731 . 10 1 1 A 59 59 TRP H H 57 7.889 8.335 -0.446 1
1 732 . 10 1 1 A 59 59 TRP HA H 57 4.612 4.541 0.071 1
1 741 . 10 1 1 A 59 59 TRP C C 57 178.642 178.881 -0.239 1
1 742 . 10 1 1 A 59 59 TRP CA C 57 58.388 59.718 -1.330 1
1 743 . 10 1 1 A 59 59 TRP CB C 57 27.954 27.951 0.003 1
1 749 . 10 1 1 A 59 59 TRP N N 57 113.858 119.378 -5.520 1
1 751 . 10 1 1 A 60 60 ILE H H 58 6.296 7.425 -1.129 1
1 752 . 10 1 1 A 60 60 ILE HA H 58 3.627 3.407 0.220 1
1 762 . 10 1 1 A 60 60 ILE C C 58 177.104 177.625 -0.521 1
1 763 . 10 1 1 A 60 60 ILE CA C 58 61.605 64.121 -2.516 1
1 764 . 10 1 1 A 60 60 ILE CB C 58 36.043 35.978 0.065 1
1 768 . 10 1 1 A 60 60 ILE N N 58 123.265 121.848 1.417 1
1 769 . 10 1 1 A 61 61 GLN H H 59 7.650 8.420 -0.770 1
1 770 . 10 1 1 A 61 61 GLN HA H 59 3.811 3.937 -0.126 1
1 777 . 10 1 1 A 61 61 GLN C C 59 178.933 178.833 0.100 1
1 778 . 10 1 1 A 61 61 GLN CA C 59 59.663 58.985 0.678 1
1 779 . 10 1 1 A 61 61 GLN CB C 59 27.972 28.500 -0.528 1
1 781 . 10 1 1 A 61 61 GLN N N 59 120.850 119.328 1.522 1
1 783 . 10 1 1 A 62 62 GLU H H 60 8.057 8.307 -0.250 1
1 784 . 10 1 1 A 62 62 GLU HA H 60 4.081 4.103 -0.022 1
1 789 . 10 1 1 A 62 62 GLU C C 60 178.539 178.452 0.087 1
1 790 . 10 1 1 A 62 62 GLU CA C 60 59.152 59.412 -0.260 1
1 791 . 10 1 1 A 62 62 GLU CB C 60 29.896 29.105 0.791 1
1 793 . 10 1 1 A 62 62 GLU N N 60 117.976 118.769 -0.793 1
1 794 . 10 1 1 A 63 63 TYR H H 61 8.004 7.898 0.106 1
1 795 . 10 1 1 A 63 63 TYR HA H 61 4.216 4.220 -0.004 1
1 802 . 10 1 1 A 63 63 TYR C C 61 178.157 176.843 1.314 1
1 803 . 10 1 1 A 63 63 TYR CA C 61 61.281 61.375 -0.094 1
1 804 . 10 1 1 A 63 63 TYR CB C 61 38.956 38.885 0.071 1
1 807 . 10 1 1 A 63 63 TYR N N 61 120.743 122.228 -1.485 1
1 808 . 10 1 1 A 64 64 LEU H H 62 8.460 8.622 -0.162 1
1 809 . 10 1 1 A 64 64 LEU HA H 62 3.850 3.606 0.244 1
1 819 . 10 1 1 A 64 64 LEU C C 62 178.678 179.099 -0.421 1
1 820 . 10 1 1 A 64 64 LEU CA C 62 57.619 57.618 0.001 1
1 821 . 10 1 1 A 64 64 LEU CB C 62 41.868 41.001 0.867 1
1 825 . 10 1 1 A 64 64 LEU N N 62 119.052 119.373 -0.321 1
1 826 . 10 1 1 A 65 65 GLU H H 63 7.850 8.394 -0.544 1
1 827 . 10 1 1 A 65 65 GLU HA H 63 3.974 3.912 0.062 1
1 832 . 10 1 1 A 65 65 GLU C C 63 178.447 179.302 -0.855 1
1 833 . 10 1 1 A 65 65 GLU CA C 63 59.143 59.568 -0.425 1
1 834 . 10 1 1 A 65 65 GLU CB C 63 29.721 29.267 0.454 1
1 836 . 10 1 1 A 65 65 GLU N N 63 118.310 118.542 -0.232 1
1 837 . 10 1 1 A 66 66 LYS H H 64 7.648 8.181 -0.533 1
1 838 . 10 1 1 A 66 66 LYS HA H 64 4.156 4.028 0.128 1
1 847 . 10 1 1 A 66 66 LYS C C 64 177.941 178.687 -0.746 1
1 848 . 10 1 1 A 66 66 LYS CA C 64 57.820 59.358 -1.538 1
1 849 . 10 1 1 A 66 66 LYS CB C 64 32.620 32.210 0.410 1
1 853 . 10 1 1 A 66 66 LYS N N 64 117.638 121.195 -3.557 1
1 854 . 10 1 1 A 67 67 ALA H H 65 8.004 8.402 -0.398 1
1 855 . 10 1 1 A 67 67 ALA HA H 65 4.068 3.952 0.116 1
1 859 . 10 1 1 A 67 67 ALA C C 65 178.624 179.893 -1.269 1
1 860 . 10 1 1 A 67 67 ALA CA C 65 53.790 54.583 -0.793 1
1 861 . 10 1 1 A 67 67 ALA CB C 65 19.082 18.236 0.846 1
1 862 . 10 1 1 A 67 67 ALA N N 65 121.228 120.532 0.696 1
1 863 . 10 1 1 A 68 68 LEU H H 66 7.791 8.216 -0.425 1
1 864 . 10 1 1 A 68 68 LEU HA H 66 4.274 3.987 0.287 1
1 874 . 10 1 1 A 68 68 LEU CA C 66 55.593 57.441 -1.848 1
1 875 . 10 1 1 A 68 68 LEU CB C 66 42.329 41.763 0.566 1
1 878 . 10 1 1 A 68 68 LEU N N 66 116.882 119.913 -3.031 1
1 879 . 10 1 1 A 69 69 ASN H H 67 7.914 8.084 -0.170 1
1 880 . 10 1 1 A 69 69 ASN HA H 67 4.803 4.475 0.328 1
1 885 . 10 1 1 A 69 69 ASN C C 67 174.039 177.368 -3.329 1
1 886 . 10 1 1 A 69 69 ASN CA C 67 53.434 55.562 -2.128 1
1 887 . 10 1 1 A 69 69 ASN CB C 67 39.601 38.348 1.253 1
1 888 . 10 1 1 A 69 69 ASN N N 67 118.309 116.132 2.177 1
1 18 . 11 1 1 A 4 4 PRO HA H 2 4.416 4.562 -0.146 1
1 25 . 11 1 1 A 4 4 PRO C C 2 176.996 176.200 0.796 1
1 26 . 11 1 1 A 4 4 PRO CA C 2 63.494 63.594 -0.100 1
1 27 . 11 1 1 A 4 4 PRO CB C 2 32.161 32.100 0.061 1
1 30 . 11 1 1 A 5 5 VAL H H 3 8.227 7.639 0.588 1
1 31 . 11 1 1 A 5 5 VAL HA H 3 4.058 4.086 -0.028 1
1 39 . 11 1 1 A 5 5 VAL C C 3 176.376 176.078 0.298 1
1 40 . 11 1 1 A 5 5 VAL CA C 3 62.495 61.721 0.774 1
1 41 . 11 1 1 A 5 5 VAL CB C 3 32.808 31.174 1.634 1
1 43 . 11 1 1 A 5 5 VAL N N 3 121.008 120.963 0.045 1
1 44 . 11 1 1 A 6 6 SER H H 4 8.270 8.614 -0.344 1
1 45 . 11 1 1 A 6 6 SER HA H 4 4.409 4.057 0.352 1
1 48 . 11 1 1 A 6 6 SER C C 4 174.577 173.561 1.016 1
1 49 . 11 1 1 A 6 6 SER CA C 4 58.148 58.639 -0.491 1
1 50 . 11 1 1 A 6 6 SER CB C 4 63.870 61.929 1.941 1
1 51 . 11 1 1 A 6 6 SER N N 4 119.573 120.265 -0.692 1
1 52 . 11 1 1 A 7 7 LEU H H 5 8.273 7.959 0.314 1
1 53 . 11 1 1 A 7 7 LEU HA H 5 4.320 4.716 -0.396 1
1 63 . 11 1 1 A 7 7 LEU C C 5 177.341 175.753 1.588 1
1 64 . 11 1 1 A 7 7 LEU CA C 5 55.388 53.498 1.890 1
1 65 . 11 1 1 A 7 7 LEU CB C 5 42.650 42.817 -0.167 1
1 68 . 11 1 1 A 7 7 LEU N N 5 125.039 122.654 2.385 1
1 69 . 11 1 1 A 8 8 SER H H 6 8.127 8.983 -0.856 1
1 70 . 11 1 1 A 8 8 SER HA H 6 4.335 4.678 -0.343 1
1 73 . 11 1 1 A 8 8 SER C C 6 174.189 173.889 0.300 1
1 74 . 11 1 1 A 8 8 SER CA C 6 58.433 57.907 0.526 1
1 75 . 11 1 1 A 8 8 SER CB C 6 63.870 62.320 1.550 1
1 76 . 11 1 1 A 8 8 SER N N 6 116.154 122.076 -5.922 1
1 77 . 11 1 1 A 9 9 TYR H H 7 7.971 8.003 -0.032 1
1 78 . 11 1 1 A 9 9 TYR HA H 7 4.502 4.985 -0.483 1
1 85 . 11 1 1 A 9 9 TYR C C 7 175.520 176.281 -0.761 1
1 86 . 11 1 1 A 9 9 TYR CA C 7 58.008 56.678 1.330 1
1 87 . 11 1 1 A 9 9 TYR CB C 7 38.956 39.861 -0.905 1
1 90 . 11 1 1 A 9 9 TYR N N 7 122.213 125.748 -3.535 1
1 91 . 11 1 1 A 10 10 ARG H H 8 8.118 8.829 -0.711 1
1 92 . 11 1 1 A 10 10 ARG HA H 8 4.253 4.295 -0.042 1
1 99 . 11 1 1 A 10 10 ARG C C 8 175.918 176.175 -0.257 1
1 100 . 11 1 1 A 10 10 ARG CA C 8 56.104 56.810 -0.706 1
1 101 . 11 1 1 A 10 10 ARG CB C 8 30.875 30.866 0.009 1
1 104 . 11 1 1 A 10 10 ARG N N 8 122.182 119.761 2.421 1
1 105 . 11 1 1 A 11 11 CYS H H 9 8.097 7.836 0.261 1
1 106 . 11 1 1 A 11 11 CYS HA H 9 4.909 4.973 -0.064 1
1 109 . 11 1 1 A 11 11 CYS C C 9 173.615 173.601 0.014 1
1 110 . 11 1 1 A 11 11 CYS CA C 9 53.127 54.196 -1.069 1
1 111 . 11 1 1 A 11 11 CYS CB C 9 40.218 43.702 -3.484 1
1 112 . 11 1 1 A 11 11 CYS N N 9 121.280 119.182 2.098 1
1 113 . 11 1 1 A 12 12 PRO HA H 10 4.275 4.316 -0.041 1
1 120 . 11 1 1 A 12 12 PRO C C 10 177.703 176.556 1.147 1
1 121 . 11 1 1 A 12 12 PRO CA C 10 64.859 64.928 -0.069 1
1 122 . 11 1 1 A 12 12 PRO CB C 10 32.508 31.500 1.008 1
1 125 . 11 1 1 A 13 13 CYS H H 11 8.248 7.890 0.358 1
1 126 . 11 1 1 A 13 13 CYS HA H 11 4.827 4.664 0.163 1
1 129 . 11 1 1 A 13 13 CYS C C 11 174.202 172.588 1.614 1
1 130 . 11 1 1 A 13 13 CYS CA C 11 53.429 54.931 -1.502 1
1 131 . 11 1 1 A 13 13 CYS CB C 11 39.603 44.731 -5.128 1
1 132 . 11 1 1 A 13 13 CYS N N 11 114.161 115.286 -1.125 1
1 133 . 11 1 1 A 14 14 ARG HA H 12 3.984 4.339 -0.355 1
1 140 . 11 1 1 A 14 14 ARG C C 12 175.202 175.759 -0.557 1
1 141 . 11 1 1 A 14 14 ARG CA C 12 57.293 56.757 0.536 1
1 142 . 11 1 1 A 14 14 ARG CB C 12 31.098 31.710 -0.612 1
1 145 . 11 1 1 A 15 15 PHE H H 13 7.524 7.414 0.110 1
1 146 . 11 1 1 A 15 15 PHE HA H 13 4.488 4.973 -0.485 1
1 154 . 11 1 1 A 15 15 PHE C C 13 174.226 174.113 0.113 1
1 155 . 11 1 1 A 15 15 PHE CA C 13 55.971 54.929 1.042 1
1 156 . 11 1 1 A 15 15 PHE CB C 13 41.059 42.336 -1.277 1
1 160 . 11 1 1 A 15 15 PHE N N 13 116.175 115.832 0.343 1
1 161 . 11 1 1 A 16 16 PHE H H 14 8.309 9.160 -0.851 1
1 162 . 11 1 1 A 16 16 PHE HA H 14 4.794 4.977 -0.183 1
1 170 . 11 1 1 A 16 16 PHE C C 14 175.247 175.070 0.177 1
1 171 . 11 1 1 A 16 16 PHE CA C 14 55.559 56.067 -0.508 1
1 172 . 11 1 1 A 16 16 PHE CB C 14 41.220 43.496 -2.276 1
1 176 . 11 1 1 A 16 16 PHE N N 14 119.656 118.074 1.582 1
1 177 . 11 1 1 A 17 17 GLU H H 15 8.904 9.871 -0.967 1
1 178 . 11 1 1 A 17 17 GLU HA H 15 4.525 4.805 -0.280 1
1 183 . 11 1 1 A 17 17 GLU C C 15 176.747 176.716 0.031 1
1 184 . 11 1 1 A 17 17 GLU CA C 15 56.012 56.228 -0.216 1
1 185 . 11 1 1 A 17 17 GLU CB C 15 30.894 30.926 -0.032 1
1 187 . 11 1 1 A 17 17 GLU N N 15 122.929 122.732 0.197 1
1 188 . 11 1 1 A 18 18 SER H H 16 8.752 8.844 -0.092 1
1 189 . 11 1 1 A 18 18 SER HA H 16 4.708 4.677 0.031 1
1 192 . 11 1 1 A 18 18 SER C C 16 174.278 174.854 -0.576 1
1 193 . 11 1 1 A 18 18 SER CA C 16 59.799 57.693 2.106 1
1 194 . 11 1 1 A 18 18 SER CB C 16 64.023 63.617 0.406 1
1 195 . 11 1 1 A 18 18 SER N N 16 119.679 121.046 -1.367 1
1 196 . 11 1 1 A 19 19 HIS H H 17 9.044 8.005 1.039 1
1 197 . 11 1 1 A 19 19 HIS HA H 17 4.873 4.841 0.032 1
1 202 . 11 1 1 A 19 19 HIS C C 17 174.580 175.089 -0.509 1
1 203 . 11 1 1 A 19 19 HIS CA C 17 56.240 55.186 1.054 1
1 204 . 11 1 1 A 19 19 HIS CB C 17 28.272 30.187 -1.915 1
1 207 . 11 1 1 A 19 19 HIS N N 17 120.269 119.112 1.157 1
1 208 . 11 1 1 A 20 20 VAL H H 18 7.212 7.606 -0.394 1
1 209 . 11 1 1 A 20 20 VAL HA H 18 4.226 3.947 0.279 1
1 217 . 11 1 1 A 20 20 VAL C C 18 174.138 175.330 -1.192 1
1 218 . 11 1 1 A 20 20 VAL CA C 18 61.605 62.400 -0.795 1
1 219 . 11 1 1 A 20 20 VAL CB C 18 34.102 32.671 1.431 1
1 221 . 11 1 1 A 20 20 VAL N N 18 119.528 120.599 -1.071 1
1 222 . 11 1 1 A 21 21 ALA H H 19 8.553 8.010 0.543 1
1 223 . 11 1 1 A 21 21 ALA HA H 19 4.340 4.506 -0.166 1
1 227 . 11 1 1 A 21 21 ALA C C 19 177.514 177.535 -0.021 1
1 228 . 11 1 1 A 21 21 ALA CA C 19 50.666 50.282 0.384 1
1 229 . 11 1 1 A 21 21 ALA CB C 19 19.660 20.866 -1.206 1
1 230 . 11 1 1 A 21 21 ALA N N 19 131.180 128.865 2.315 1
1 231 . 11 1 1 A 22 22 ARG H H 20 7.726 8.107 -0.381 1
1 232 . 11 1 1 A 22 22 ARG HA H 20 2.590 2.895 -0.305 1
1 239 . 11 1 1 A 22 22 ARG C C 20 178.531 177.184 1.347 1
1 240 . 11 1 1 A 22 22 ARG CA C 20 59.155 58.122 1.033 1
1 241 . 11 1 1 A 22 22 ARG CB C 20 29.167 29.445 -0.278 1
1 244 . 11 1 1 A 22 22 ARG N N 20 124.436 122.842 1.594 1
1 245 . 11 1 1 A 23 23 ALA H H 21 8.150 7.456 0.694 1
1 246 . 11 1 1 A 23 23 ALA HA H 21 4.019 4.103 -0.084 1
1 250 . 11 1 1 A 23 23 ALA C C 21 177.743 178.210 -0.467 1
1 251 . 11 1 1 A 23 23 ALA CA C 21 53.809 53.278 0.531 1
1 252 . 11 1 1 A 23 23 ALA CB C 21 18.688 18.443 0.245 1
1 253 . 11 1 1 A 23 23 ALA N N 21 117.354 121.047 -3.693 1
1 254 . 11 1 1 A 24 24 ASN H H 22 7.706 7.712 -0.006 1
1 255 . 11 1 1 A 24 24 ASN HA H 22 4.906 4.801 0.105 1
1 260 . 11 1 1 A 24 24 ASN C C 22 174.889 175.160 -0.271 1
1 261 . 11 1 1 A 24 24 ASN CA C 22 52.590 53.423 -0.833 1
1 262 . 11 1 1 A 24 24 ASN CB C 22 40.335 39.488 0.847 1
1 263 . 11 1 1 A 24 24 ASN N N 22 112.797 115.341 -2.544 1
1 265 . 11 1 1 A 25 25 VAL H H 23 7.457 7.010 0.447 1
1 266 . 11 1 1 A 25 25 VAL HA H 23 4.326 4.216 0.110 1
1 274 . 11 1 1 A 25 25 VAL C C 23 174.594 176.228 -1.634 1
1 275 . 11 1 1 A 25 25 VAL CA C 23 62.406 61.937 0.469 1
1 276 . 11 1 1 A 25 25 VAL CB C 23 33.445 32.607 0.838 1
1 278 . 11 1 1 A 25 25 VAL N N 23 118.772 119.252 -0.480 1
1 279 . 11 1 1 A 26 26 LYS H H 24 9.261 9.241 0.020 1
1 280 . 11 1 1 A 26 26 LYS HA H 24 4.406 4.355 0.051 1
1 289 . 11 1 1 A 26 26 LYS C C 24 175.247 176.272 -1.025 1
1 290 . 11 1 1 A 26 26 LYS CA C 24 56.483 57.772 -1.289 1
1 291 . 11 1 1 A 26 26 LYS CB C 24 35.023 33.383 1.640 1
1 295 . 11 1 1 A 26 26 LYS N N 24 125.197 124.164 1.033 1
1 296 . 11 1 1 A 27 27 HIS H H 25 7.811 7.183 0.628 1
1 297 . 11 1 1 A 27 27 HIS HA H 25 4.627 4.956 -0.329 1
1 302 . 11 1 1 A 27 27 HIS C C 25 173.157 172.370 0.787 1
1 303 . 11 1 1 A 27 27 HIS CA C 25 55.463 55.722 -0.259 1
1 304 . 11 1 1 A 27 27 HIS CB C 25 31.832 32.922 -1.090 1
1 307 . 11 1 1 A 27 27 HIS N N 25 115.509 118.369 -2.860 1
1 308 . 11 1 1 A 28 28 LEU H H 26 8.311 9.026 -0.715 1
1 309 . 11 1 1 A 28 28 LEU HA H 26 4.991 5.004 -0.013 1
1 319 . 11 1 1 A 28 28 LEU C C 26 175.514 174.637 0.877 1
1 320 . 11 1 1 A 28 28 LEU CA C 26 54.662 53.545 1.117 1
1 321 . 11 1 1 A 28 28 LEU CB C 26 45.594 44.944 0.650 1
1 325 . 11 1 1 A 29 29 LYS H H 27 9.003 8.957 0.046 1
1 326 . 11 1 1 A 29 29 LYS HA H 27 4.578 4.796 -0.218 1
1 335 . 11 1 1 A 29 29 LYS C C 27 173.758 174.543 -0.785 1
1 336 . 11 1 1 A 29 29 LYS CA C 27 54.945 54.748 0.197 1
1 337 . 11 1 1 A 29 29 LYS CB C 27 36.358 35.736 0.622 1
1 341 . 11 1 1 A 29 29 LYS N N 27 122.740 126.166 -3.426 1
1 342 . 11 1 1 A 30 30 ILE H H 28 8.526 8.957 -0.431 1
1 343 . 11 1 1 A 30 30 ILE HA H 28 4.623 4.729 -0.106 1
1 353 . 11 1 1 A 30 30 ILE C C 28 175.988 174.553 1.435 1
1 354 . 11 1 1 A 30 30 ILE CA C 28 60.122 60.147 -0.025 1
1 355 . 11 1 1 A 30 30 ILE CB C 28 38.795 39.746 -0.951 1
1 359 . 11 1 1 A 30 30 ILE N N 28 123.517 127.918 -4.401 1
1 360 . 11 1 1 A 31 31 LEU H H 29 8.910 9.731 -0.821 1
1 361 . 11 1 1 A 31 31 LEU HA H 29 4.553 5.099 -0.546 1
1 371 . 11 1 1 A 31 31 LEU C C 29 176.005 175.340 0.665 1
1 372 . 11 1 1 A 31 31 LEU CA C 29 53.975 53.457 0.518 1
1 373 . 11 1 1 A 31 31 LEU CB C 29 43.485 44.785 -1.300 1
1 376 . 11 1 1 A 31 31 LEU N N 29 128.881 130.100 -1.219 1
1 377 . 11 1 1 A 32 32 ASN H H 30 8.710 8.886 -0.176 1
1 378 . 11 1 1 A 32 32 ASN HA H 30 4.954 5.304 -0.350 1
1 383 . 11 1 1 A 32 32 ASN C C 30 174.462 174.732 -0.270 1
1 384 . 11 1 1 A 32 32 ASN CA C 30 52.413 51.819 0.594 1
1 385 . 11 1 1 A 32 32 ASN CB C 30 39.232 39.667 -0.435 1
1 386 . 11 1 1 A 32 32 ASN N N 30 124.019 124.867 -0.848 1
1 388 . 11 1 1 A 33 33 THR H H 31 8.094 8.640 -0.546 1
1 389 . 11 1 1 A 33 33 THR HA H 31 4.628 4.724 -0.096 1
1 394 . 11 1 1 A 33 33 THR CA C 31 59.475 58.804 0.671 1
1 395 . 11 1 1 A 33 33 THR CB C 31 70.459 71.954 -1.495 1
1 397 . 11 1 1 A 33 33 THR N N 31 118.961 118.238 0.723 1
1 398 . 11 1 1 A 34 34 PRO HA H 32 4.206 4.306 -0.100 1
1 405 . 11 1 1 A 34 34 PRO C C 32 176.814 176.932 -0.118 1
1 406 . 11 1 1 A 34 34 PRO CA C 32 64.445 63.891 0.554 1
1 407 . 11 1 1 A 34 34 PRO CB C 32 32.170 31.731 0.439 1
1 410 . 11 1 1 A 35 35 ASN H H 33 8.504 8.855 -0.351 1
1 411 . 11 1 1 A 35 35 ASN HA H 33 4.342 4.300 0.042 1
1 416 . 11 1 1 A 35 35 ASN C C 33 174.344 175.266 -0.922 1
1 417 . 11 1 1 A 35 35 ASN CA C 33 54.945 55.199 -0.254 1
1 418 . 11 1 1 A 35 35 ASN CB C 33 38.122 36.265 1.857 1
1 419 . 11 1 1 A 35 35 ASN N N 33 113.042 114.520 -1.478 1
1 421 . 11 1 1 A 36 36 CYS H H 34 7.526 7.987 -0.461 1
1 422 . 11 1 1 A 36 36 CYS HA H 34 4.878 4.696 0.182 1
1 425 . 11 1 1 A 36 36 CYS C C 34 173.880 174.256 -0.376 1
1 426 . 11 1 1 A 36 36 CYS CA C 34 54.622 55.481 -0.859 1
1 427 . 11 1 1 A 36 36 CYS CB C 34 44.780 43.191 1.589 1
1 428 . 11 1 1 A 36 36 CYS N N 34 116.301 115.744 0.557 1
1 429 . 11 1 1 A 37 37 ALA H H 35 8.395 7.571 0.824 1
1 430 . 11 1 1 A 37 37 ALA HA H 35 4.205 4.027 0.178 1
1 434 . 11 1 1 A 37 37 ALA C C 35 176.677 177.111 -0.434 1
1 435 . 11 1 1 A 37 37 ALA CA C 35 52.413 54.399 -1.986 1
1 436 . 11 1 1 A 37 37 ALA CB C 35 18.968 17.895 1.073 1
1 437 . 11 1 1 A 37 37 ALA N N 35 125.001 122.958 2.043 1
1 438 . 11 1 1 A 38 38 LEU H H 36 8.004 8.330 -0.326 1
1 439 . 11 1 1 A 38 38 LEU HA H 36 4.206 4.596 -0.390 1
1 449 . 11 1 1 A 38 38 LEU C C 36 176.194 176.005 0.189 1
1 450 . 11 1 1 A 38 38 LEU CA C 36 56.563 53.940 2.623 1
1 451 . 11 1 1 A 38 38 LEU CB C 36 42.465 42.343 0.122 1
1 455 . 11 1 1 A 38 38 LEU N N 36 121.548 118.776 2.772 1
1 456 . 11 1 1 A 39 39 GLN H H 37 8.471 9.400 -0.929 1
1 457 . 11 1 1 A 39 39 GLN HA H 37 4.621 4.886 -0.265 1
1 464 . 11 1 1 A 39 39 GLN C C 37 173.581 174.434 -0.853 1
1 465 . 11 1 1 A 39 39 GLN CA C 37 54.172 54.382 -0.210 1
1 466 . 11 1 1 A 39 39 GLN CB C 37 32.461 31.656 0.805 1
1 468 . 11 1 1 A 39 39 GLN N N 37 123.271 122.488 0.783 1
1 470 . 11 1 1 A 40 40 ILE H H 38 9.429 8.402 1.027 1
1 471 . 11 1 1 A 40 40 ILE HA H 38 4.718 4.790 -0.072 1
1 481 . 11 1 1 A 40 40 ILE C C 38 174.547 175.521 -0.974 1
1 482 . 11 1 1 A 40 40 ILE CA C 38 60.122 60.135 -0.013 1
1 483 . 11 1 1 A 40 40 ILE CB C 38 38.899 39.395 -0.496 1
1 487 . 11 1 1 A 40 40 ILE N N 38 124.702 124.167 0.535 1
1 488 . 11 1 1 A 41 41 VAL H H 39 8.872 9.269 -0.397 1
1 489 . 11 1 1 A 41 41 VAL HA H 39 5.027 4.942 0.085 1
1 497 . 11 1 1 A 41 41 VAL C C 39 174.772 174.560 0.212 1
1 498 . 11 1 1 A 41 41 VAL CA C 39 60.111 61.152 -1.041 1
1 499 . 11 1 1 A 41 41 VAL CB C 39 34.767 33.582 1.185 1
1 501 . 11 1 1 A 41 41 VAL N N 39 124.441 128.006 -3.565 1
1 502 . 11 1 1 A 42 42 ALA H H 40 9.305 9.056 0.249 1
1 503 . 11 1 1 A 42 42 ALA HA H 40 5.289 5.239 0.050 1
1 507 . 11 1 1 A 42 42 ALA C C 40 175.955 175.802 0.153 1
1 508 . 11 1 1 A 42 42 ALA CA C 40 50.093 50.706 -0.613 1
1 509 . 11 1 1 A 42 42 ALA CB C 40 24.063 23.410 0.653 1
1 510 . 11 1 1 A 42 42 ALA N N 40 126.567 128.433 -1.866 1
1 511 . 11 1 1 A 43 43 ARG H H 41 8.393 8.542 -0.149 1
1 512 . 11 1 1 A 43 43 ARG HA H 41 5.119 5.444 -0.325 1
1 519 . 11 1 1 A 43 43 ARG C C 41 176.184 175.584 0.600 1
1 520 . 11 1 1 A 43 43 ARG CA C 41 53.900 54.652 -0.752 1
1 521 . 11 1 1 A 43 43 ARG CB C 41 32.306 33.583 -1.277 1
1 524 . 11 1 1 A 43 43 ARG N N 41 118.991 119.977 -0.986 1
1 525 . 11 1 1 A 44 44 LEU H H 42 9.010 8.741 0.269 1
1 526 . 11 1 1 A 44 44 LEU HA H 42 4.934 4.726 0.208 1
1 536 . 11 1 1 A 44 44 LEU C C 42 178.369 178.136 0.233 1
1 537 . 11 1 1 A 44 44 LEU CA C 42 54.329 54.098 0.231 1
1 538 . 11 1 1 A 44 44 LEU CB C 42 41.497 42.184 -0.687 1
1 542 . 11 1 1 A 44 44 LEU N N 42 125.764 124.288 1.476 1
1 543 . 11 1 1 A 45 45 LYS H H 43 8.474 9.531 -1.057 1
1 544 . 11 1 1 A 45 45 LYS HA H 43 3.821 3.945 -0.124 1
1 553 . 11 1 1 A 45 45 LYS CA C 43 59.340 59.477 -0.137 1
1 554 . 11 1 1 A 45 45 LYS CB C 43 33.445 32.808 0.637 1
1 558 . 11 1 1 A 45 45 LYS N N 43 120.489 122.434 -1.945 1
1 559 . 11 1 1 A 46 46 ASN H H 44 8.657 8.047 0.610 1
1 560 . 11 1 1 A 46 46 ASN HA H 44 4.433 4.455 -0.022 1
1 565 . 11 1 1 A 46 46 ASN C C 44 175.970 177.272 -1.302 1
1 566 . 11 1 1 A 46 46 ASN CA C 44 55.457 56.172 -0.715 1
1 567 . 11 1 1 A 46 46 ASN CB C 44 37.507 38.734 -1.227 1
1 569 . 11 1 1 A 47 47 ASN H H 45 7.566 7.870 -0.304 1
1 570 . 11 1 1 A 47 47 ASN HA H 45 4.654 4.786 -0.132 1
1 575 . 11 1 1 A 47 47 ASN C C 45 175.461 175.109 0.352 1
1 576 . 11 1 1 A 47 47 ASN CA C 45 52.769 54.515 -1.746 1
1 577 . 11 1 1 A 47 47 ASN CB C 45 39.203 39.176 0.027 1
1 578 . 11 1 1 A 47 47 ASN N N 45 115.277 116.246 -0.969 1
1 580 . 11 1 1 A 48 48 ASN H H 46 8.008 8.209 -0.201 1
1 581 . 11 1 1 A 48 48 ASN HA H 46 4.649 4.901 -0.252 1
1 586 . 11 1 1 A 48 48 ASN C C 46 174.812 173.965 0.847 1
1 587 . 11 1 1 A 48 48 ASN CA C 46 54.491 54.395 0.096 1
1 588 . 11 1 1 A 48 48 ASN CB C 46 39.092 37.569 1.523 1
1 589 . 11 1 1 A 48 48 ASN N N 46 116.416 117.604 -1.188 1
1 591 . 11 1 1 A 49 49 ARG H H 47 7.918 7.936 -0.018 1
1 592 . 11 1 1 A 49 49 ARG HA H 47 4.206 4.538 -0.332 1
1 599 . 11 1 1 A 49 49 ARG C C 47 175.719 174.915 0.804 1
1 600 . 11 1 1 A 49 49 ARG CA C 47 57.084 55.411 1.673 1
1 601 . 11 1 1 A 49 49 ARG CB C 47 31.785 31.284 0.501 1
1 604 . 11 1 1 A 49 49 ARG N N 47 120.017 119.513 0.504 1
1 605 . 11 1 1 A 50 50 GLN H H 48 8.617 8.701 -0.084 1
1 606 . 11 1 1 A 50 50 GLN HA H 48 5.212 5.099 0.113 1
1 613 . 11 1 1 A 50 50 GLN C C 48 175.697 175.592 0.105 1
1 614 . 11 1 1 A 50 50 GLN CA C 48 55.454 55.010 0.444 1
1 615 . 11 1 1 A 50 50 GLN CB C 48 30.953 30.403 0.550 1
1 617 . 11 1 1 A 50 50 GLN N N 48 123.029 122.520 0.509 1
1 619 . 11 1 1 A 51 51 VAL H H 49 9.009 9.275 -0.266 1
1 620 . 11 1 1 A 51 51 VAL HA H 49 4.747 4.952 -0.205 1
1 628 . 11 1 1 A 51 51 VAL C C 49 174.561 174.452 0.109 1
1 629 . 11 1 1 A 51 51 VAL CA C 49 59.266 58.866 0.400 1
1 630 . 11 1 1 A 51 51 VAL CB C 49 35.845 35.304 0.541 1
1 633 . 11 1 1 A 51 51 VAL N N 49 119.358 119.493 -0.135 1
1 634 . 11 1 1 A 52 52 CYS H H 50 8.850 8.552 0.298 1
1 635 . 11 1 1 A 52 52 CYS HA H 50 5.605 5.755 -0.150 1
1 638 . 11 1 1 A 52 52 CYS C C 50 174.469 172.626 1.843 1
1 639 . 11 1 1 A 52 52 CYS CA C 50 56.377 54.395 1.982 1
1 640 . 11 1 1 A 52 52 CYS CB C 50 44.694 43.963 0.731 1
1 641 . 11 1 1 A 52 52 CYS N N 50 120.834 119.571 1.263 1
1 642 . 11 1 1 A 53 53 ILE H H 51 8.656 9.388 -0.732 1
1 643 . 11 1 1 A 53 53 ILE HA H 51 4.461 4.822 -0.361 1
1 653 . 11 1 1 A 53 53 ILE C C 51 174.137 174.636 -0.499 1
1 654 . 11 1 1 A 53 53 ILE CA C 51 59.671 59.964 -0.293 1
1 655 . 11 1 1 A 53 53 ILE CB C 51 39.603 41.926 -2.323 1
1 659 . 11 1 1 A 53 53 ILE N N 51 122.740 124.185 -1.445 1
1 660 . 11 1 1 A 54 54 ASP H H 52 7.746 8.178 -0.432 1
1 661 . 11 1 1 A 54 54 ASP HA H 52 3.650 4.228 -0.578 1
1 664 . 11 1 1 A 54 54 ASP CA C 52 51.578 51.530 0.048 1
1 665 . 11 1 1 A 54 54 ASP CB C 52 42.384 42.181 0.203 1
1 666 . 11 1 1 A 54 54 ASP N N 52 126.398 126.444 -0.046 1
1 667 . 11 1 1 A 55 55 PRO HA H 53 3.990 4.267 -0.277 1
1 674 . 11 1 1 A 55 55 PRO C C 53 176.274 176.567 -0.293 1
1 675 . 11 1 1 A 55 55 PRO CA C 53 63.546 63.922 -0.376 1
1 676 . 11 1 1 A 55 55 PRO CB C 53 32.272 31.435 0.837 1
1 679 . 11 1 1 A 56 56 LYS H H 54 8.054 8.462 -0.408 1
1 680 . 11 1 1 A 56 56 LYS HA H 54 3.954 4.205 -0.251 1
1 689 . 11 1 1 A 56 56 LYS C C 54 177.867 176.668 1.199 1
1 690 . 11 1 1 A 56 56 LYS CA C 54 56.189 56.629 -0.440 1
1 691 . 11 1 1 A 56 56 LYS CB C 54 31.680 31.975 -0.295 1
1 695 . 11 1 1 A 56 56 LYS N N 54 115.161 115.401 -0.240 1
1 696 . 11 1 1 A 57 57 LEU H H 55 7.172 7.005 0.167 1
1 697 . 11 1 1 A 57 57 LEU HA H 55 4.021 4.119 -0.098 1
1 707 . 11 1 1 A 57 57 LEU C C 55 179.221 177.597 1.624 1
1 708 . 11 1 1 A 57 57 LEU CA C 55 55.781 55.254 0.527 1
1 709 . 11 1 1 A 57 57 LEU CB C 55 41.739 41.636 0.103 1
1 713 . 11 1 1 A 57 57 LEU N N 55 120.921 122.792 -1.871 1
1 714 . 11 1 1 A 58 58 LYS H H 56 8.753 8.764 -0.011 1
1 715 . 11 1 1 A 58 58 LYS HA H 56 3.898 3.980 -0.082 1
1 724 . 11 1 1 A 58 58 LYS C C 56 179.161 178.361 0.800 1
1 725 . 11 1 1 A 58 58 LYS CA C 56 60.318 59.220 1.098 1
1 726 . 11 1 1 A 58 58 LYS CB C 56 32.100 32.223 -0.123 1
1 730 . 11 1 1 A 58 58 LYS N N 56 125.449 124.597 0.852 1
1 731 . 11 1 1 A 59 59 TRP H H 57 7.889 8.278 -0.389 1
1 732 . 11 1 1 A 59 59 TRP HA H 57 4.612 4.557 0.055 1
1 741 . 11 1 1 A 59 59 TRP C C 57 178.642 178.788 -0.146 1
1 742 . 11 1 1 A 59 59 TRP CA C 57 58.388 59.638 -1.250 1
1 743 . 11 1 1 A 59 59 TRP CB C 57 27.954 27.795 0.159 1
1 749 . 11 1 1 A 59 59 TRP N N 57 113.858 119.296 -5.438 1
1 751 . 11 1 1 A 60 60 ILE H H 58 6.296 7.447 -1.151 1
1 752 . 11 1 1 A 60 60 ILE HA H 58 3.627 3.430 0.197 1
1 762 . 11 1 1 A 60 60 ILE C C 58 177.104 177.627 -0.523 1
1 763 . 11 1 1 A 60 60 ILE CA C 58 61.605 64.099 -2.494 1
1 764 . 11 1 1 A 60 60 ILE CB C 58 36.043 35.896 0.147 1
1 768 . 11 1 1 A 60 60 ILE N N 58 123.265 121.852 1.413 1
1 769 . 11 1 1 A 61 61 GLN H H 59 7.650 8.234 -0.584 1
1 770 . 11 1 1 A 61 61 GLN HA H 59 3.811 3.892 -0.081 1
1 777 . 11 1 1 A 61 61 GLN C C 59 178.933 178.919 0.014 1
1 778 . 11 1 1 A 61 61 GLN CA C 59 59.663 58.991 0.672 1
1 779 . 11 1 1 A 61 61 GLN CB C 59 27.972 28.553 -0.581 1
1 781 . 11 1 1 A 61 61 GLN N N 59 120.850 119.152 1.698 1
1 783 . 11 1 1 A 62 62 GLU H H 60 8.057 8.214 -0.157 1
1 784 . 11 1 1 A 62 62 GLU HA H 60 4.081 4.115 -0.034 1
1 789 . 11 1 1 A 62 62 GLU C C 60 178.539 178.513 0.026 1
1 790 . 11 1 1 A 62 62 GLU CA C 60 59.152 59.363 -0.211 1
1 791 . 11 1 1 A 62 62 GLU CB C 60 29.896 29.125 0.771 1
1 793 . 11 1 1 A 62 62 GLU N N 60 117.976 118.802 -0.826 1
1 794 . 11 1 1 A 63 63 TYR H H 61 8.004 7.779 0.225 1
1 795 . 11 1 1 A 63 63 TYR HA H 61 4.216 4.239 -0.023 1
1 802 . 11 1 1 A 63 63 TYR C C 61 178.157 176.985 1.172 1
1 803 . 11 1 1 A 63 63 TYR CA C 61 61.281 61.464 -0.183 1
1 804 . 11 1 1 A 63 63 TYR CB C 61 38.956 38.697 0.259 1
1 807 . 11 1 1 A 63 63 TYR N N 61 120.743 122.547 -1.804 1
1 808 . 11 1 1 A 64 64 LEU H H 62 8.460 8.565 -0.105 1
1 809 . 11 1 1 A 64 64 LEU HA H 62 3.850 3.613 0.237 1
1 819 . 11 1 1 A 64 64 LEU C C 62 178.678 179.109 -0.431 1
1 820 . 11 1 1 A 64 64 LEU CA C 62 57.619 57.337 0.282 1
1 821 . 11 1 1 A 64 64 LEU CB C 62 41.868 41.319 0.549 1
1 825 . 11 1 1 A 64 64 LEU N N 62 119.052 119.140 -0.088 1
1 826 . 11 1 1 A 65 65 GLU H H 63 7.850 8.369 -0.519 1
1 827 . 11 1 1 A 65 65 GLU HA H 63 3.974 3.808 0.166 1
1 832 . 11 1 1 A 65 65 GLU C C 63 178.447 178.593 -0.146 1
1 833 . 11 1 1 A 65 65 GLU CA C 63 59.143 60.057 -0.914 1
1 834 . 11 1 1 A 65 65 GLU CB C 63 29.721 29.214 0.507 1
1 836 . 11 1 1 A 65 65 GLU N N 63 118.310 120.526 -2.216 1
1 837 . 11 1 1 A 66 66 LYS H H 64 7.648 8.119 -0.471 1
1 838 . 11 1 1 A 66 66 LYS HA H 64 4.156 3.991 0.165 1
1 847 . 11 1 1 A 66 66 LYS C C 64 177.941 178.718 -0.777 1
1 848 . 11 1 1 A 66 66 LYS CA C 64 57.820 59.277 -1.457 1
1 849 . 11 1 1 A 66 66 LYS CB C 64 32.620 32.255 0.365 1
1 853 . 11 1 1 A 66 66 LYS N N 64 117.638 119.977 -2.339 1
1 854 . 11 1 1 A 67 67 ALA H H 65 8.004 8.185 -0.181 1
1 855 . 11 1 1 A 67 67 ALA HA H 65 4.068 3.958 0.110 1
1 859 . 11 1 1 A 67 67 ALA C C 65 178.624 179.748 -1.124 1
1 860 . 11 1 1 A 67 67 ALA CA C 65 53.790 54.627 -0.837 1
1 861 . 11 1 1 A 67 67 ALA CB C 65 19.082 18.247 0.835 1
1 862 . 11 1 1 A 67 67 ALA N N 65 121.228 120.490 0.738 1
1 863 . 11 1 1 A 68 68 LEU H H 66 7.791 7.879 -0.088 1
1 864 . 11 1 1 A 68 68 LEU HA H 66 4.274 4.073 0.201 1
1 874 . 11 1 1 A 68 68 LEU CA C 66 55.593 56.745 -1.152 1
1 875 . 11 1 1 A 68 68 LEU CB C 66 42.329 41.964 0.365 1
1 878 . 11 1 1 A 68 68 LEU N N 66 116.882 119.510 -2.628 1
1 879 . 11 1 1 A 69 69 ASN H H 67 7.914 8.037 -0.123 1
1 880 . 11 1 1 A 69 69 ASN HA H 67 4.803 4.429 0.374 1
1 885 . 11 1 1 A 69 69 ASN C C 67 174.039 177.242 -3.203 1
1 886 . 11 1 1 A 69 69 ASN CA C 67 53.434 56.118 -2.684 1
1 887 . 11 1 1 A 69 69 ASN CB C 67 39.601 38.442 1.159 1
1 888 . 11 1 1 A 69 69 ASN N N 67 118.309 116.990 1.319 1
1 18 . 12 1 1 A 4 4 PRO HA H 2 4.416 4.419 -0.003 1
1 25 . 12 1 1 A 4 4 PRO C C 2 176.996 176.474 0.522 1
1 26 . 12 1 1 A 4 4 PRO CA C 2 63.494 65.262 -1.768 1
1 27 . 12 1 1 A 4 4 PRO CB C 2 32.161 31.662 0.499 1
1 30 . 12 1 1 A 5 5 VAL H H 3 8.227 7.915 0.312 1
1 31 . 12 1 1 A 5 5 VAL HA H 3 4.058 4.155 -0.097 1
1 39 . 12 1 1 A 5 5 VAL C C 3 176.376 175.895 0.481 1
1 40 . 12 1 1 A 5 5 VAL CA C 3 62.495 61.719 0.776 1
1 41 . 12 1 1 A 5 5 VAL CB C 3 32.808 31.436 1.372 1
1 43 . 12 1 1 A 5 5 VAL N N 3 121.008 118.342 2.666 1
1 44 . 12 1 1 A 6 6 SER H H 4 8.270 8.908 -0.638 1
1 45 . 12 1 1 A 6 6 SER HA H 4 4.409 4.572 -0.163 1
1 48 . 12 1 1 A 6 6 SER C C 4 174.577 172.821 1.756 1
1 49 . 12 1 1 A 6 6 SER CA C 4 58.148 57.865 0.283 1
1 50 . 12 1 1 A 6 6 SER CB C 4 63.870 63.392 0.478 1
1 51 . 12 1 1 A 6 6 SER N N 4 119.573 122.522 -2.949 1
1 52 . 12 1 1 A 7 7 LEU H H 5 8.273 7.622 0.651 1
1 53 . 12 1 1 A 7 7 LEU HA H 5 4.320 4.489 -0.169 1
1 63 . 12 1 1 A 7 7 LEU C C 5 177.341 176.768 0.573 1
1 64 . 12 1 1 A 7 7 LEU CA C 5 55.388 53.825 1.563 1
1 65 . 12 1 1 A 7 7 LEU CB C 5 42.650 41.793 0.857 1
1 68 . 12 1 1 A 7 7 LEU N N 5 125.039 123.308 1.731 1
1 69 . 12 1 1 A 8 8 SER H H 6 8.127 8.285 -0.158 1
1 70 . 12 1 1 A 8 8 SER HA H 6 4.335 4.258 0.077 1
1 73 . 12 1 1 A 8 8 SER C C 6 174.189 172.080 2.109 1
1 74 . 12 1 1 A 8 8 SER CA C 6 58.433 60.503 -2.070 1
1 75 . 12 1 1 A 8 8 SER CB C 6 63.870 62.005 1.865 1
1 76 . 12 1 1 A 8 8 SER N N 6 116.154 114.169 1.985 1
1 77 . 12 1 1 A 9 9 TYR H H 7 7.971 8.893 -0.922 1
1 78 . 12 1 1 A 9 9 TYR HA H 7 4.502 5.014 -0.512 1
1 85 . 12 1 1 A 9 9 TYR C C 7 175.520 175.201 0.319 1
1 86 . 12 1 1 A 9 9 TYR CA C 7 58.008 56.323 1.685 1
1 87 . 12 1 1 A 9 9 TYR CB C 7 38.956 42.469 -3.513 1
1 90 . 12 1 1 A 9 9 TYR N N 7 122.213 121.924 0.289 1
1 91 . 12 1 1 A 10 10 ARG H H 8 8.118 8.810 -0.692 1
1 92 . 12 1 1 A 10 10 ARG HA H 8 4.253 4.958 -0.705 1
1 99 . 12 1 1 A 10 10 ARG C C 8 175.918 175.444 0.474 1
1 100 . 12 1 1 A 10 10 ARG CA C 8 56.104 55.718 0.386 1
1 101 . 12 1 1 A 10 10 ARG CB C 8 30.875 31.410 -0.535 1
1 104 . 12 1 1 A 10 10 ARG N N 8 122.182 119.923 2.259 1
1 105 . 12 1 1 A 11 11 CYS H H 9 8.097 8.640 -0.543 1
1 106 . 12 1 1 A 11 11 CYS HA H 9 4.909 5.116 -0.207 1
1 109 . 12 1 1 A 11 11 CYS C C 9 173.615 173.493 0.122 1
1 110 . 12 1 1 A 11 11 CYS CA C 9 53.127 53.959 -0.832 1
1 111 . 12 1 1 A 11 11 CYS CB C 9 40.218 45.017 -4.799 1
1 112 . 12 1 1 A 11 11 CYS N N 9 121.280 118.512 2.768 1
1 113 . 12 1 1 A 12 12 PRO HA H 10 4.275 4.236 0.039 1
1 120 . 12 1 1 A 12 12 PRO C C 10 177.703 176.552 1.151 1
1 121 . 12 1 1 A 12 12 PRO CA C 10 64.859 64.572 0.287 1
1 122 . 12 1 1 A 12 12 PRO CB C 10 32.508 31.748 0.760 1
1 125 . 12 1 1 A 13 13 CYS H H 11 8.248 7.374 0.874 1
1 126 . 12 1 1 A 13 13 CYS HA H 11 4.827 4.890 -0.063 1
1 129 . 12 1 1 A 13 13 CYS C C 11 174.202 172.667 1.535 1
1 130 . 12 1 1 A 13 13 CYS CA C 11 53.429 55.346 -1.917 1
1 131 . 12 1 1 A 13 13 CYS CB C 11 39.603 45.554 -5.951 1
1 132 . 12 1 1 A 13 13 CYS N N 11 114.161 115.201 -1.040 1
1 133 . 12 1 1 A 14 14 ARG HA H 12 3.984 4.482 -0.498 1
1 140 . 12 1 1 A 14 14 ARG C C 12 175.202 175.946 -0.744 1
1 141 . 12 1 1 A 14 14 ARG CA C 12 57.293 56.947 0.346 1
1 142 . 12 1 1 A 14 14 ARG CB C 12 31.098 32.152 -1.054 1
1 145 . 12 1 1 A 15 15 PHE H H 13 7.524 7.629 -0.105 1
1 146 . 12 1 1 A 15 15 PHE HA H 13 4.488 5.249 -0.761 1
1 154 . 12 1 1 A 15 15 PHE C C 13 174.226 173.053 1.173 1
1 155 . 12 1 1 A 15 15 PHE CA C 13 55.971 55.441 0.530 1
1 156 . 12 1 1 A 15 15 PHE CB C 13 41.059 42.617 -1.558 1
1 160 . 12 1 1 A 15 15 PHE N N 13 116.175 115.398 0.777 1
1 161 . 12 1 1 A 16 16 PHE H H 14 8.309 9.169 -0.860 1
1 162 . 12 1 1 A 16 16 PHE HA H 14 4.794 5.032 -0.238 1
1 170 . 12 1 1 A 16 16 PHE C C 14 175.247 175.594 -0.347 1
1 171 . 12 1 1 A 16 16 PHE CA C 14 55.559 56.258 -0.699 1
1 172 . 12 1 1 A 16 16 PHE CB C 14 41.220 42.738 -1.518 1
1 176 . 12 1 1 A 16 16 PHE N N 14 119.656 117.496 2.160 1
1 177 . 12 1 1 A 17 17 GLU H H 15 8.904 9.792 -0.888 1
1 178 . 12 1 1 A 17 17 GLU HA H 15 4.525 4.739 -0.214 1
1 183 . 12 1 1 A 17 17 GLU C C 15 176.747 176.693 0.054 1
1 184 . 12 1 1 A 17 17 GLU CA C 15 56.012 57.006 -0.994 1
1 185 . 12 1 1 A 17 17 GLU CB C 15 30.894 30.069 0.825 1
1 187 . 12 1 1 A 17 17 GLU N N 15 122.929 123.314 -0.385 1
1 188 . 12 1 1 A 18 18 SER H H 16 8.752 8.765 -0.013 1
1 189 . 12 1 1 A 18 18 SER HA H 16 4.708 4.689 0.019 1
1 192 . 12 1 1 A 18 18 SER C C 16 174.278 174.370 -0.092 1
1 193 . 12 1 1 A 18 18 SER CA C 16 59.799 58.749 1.050 1
1 194 . 12 1 1 A 18 18 SER CB C 16 64.023 63.935 0.088 1
1 195 . 12 1 1 A 18 18 SER N N 16 119.679 119.984 -0.305 1
1 196 . 12 1 1 A 19 19 HIS H H 17 9.044 8.157 0.887 1
1 197 . 12 1 1 A 19 19 HIS HA H 17 4.873 4.894 -0.021 1
1 202 . 12 1 1 A 19 19 HIS C C 17 174.580 174.584 -0.004 1
1 203 . 12 1 1 A 19 19 HIS CA C 17 56.240 55.212 1.028 1
1 204 . 12 1 1 A 19 19 HIS CB C 17 28.272 29.332 -1.060 1
1 207 . 12 1 1 A 19 19 HIS N N 17 120.269 117.196 3.073 1
1 208 . 12 1 1 A 20 20 VAL H H 18 7.212 7.735 -0.523 1
1 209 . 12 1 1 A 20 20 VAL HA H 18 4.226 4.066 0.160 1
1 217 . 12 1 1 A 20 20 VAL C C 18 174.138 175.305 -1.167 1
1 218 . 12 1 1 A 20 20 VAL CA C 18 61.605 62.223 -0.618 1
1 219 . 12 1 1 A 20 20 VAL CB C 18 34.102 33.137 0.965 1
1 221 . 12 1 1 A 20 20 VAL N N 18 119.528 120.102 -0.574 1
1 222 . 12 1 1 A 21 21 ALA H H 19 8.553 8.217 0.336 1
1 223 . 12 1 1 A 21 21 ALA HA H 19 4.340 4.490 -0.150 1
1 227 . 12 1 1 A 21 21 ALA C C 19 177.514 177.433 0.081 1
1 228 . 12 1 1 A 21 21 ALA CA C 19 50.666 50.234 0.432 1
1 229 . 12 1 1 A 21 21 ALA CB C 19 19.660 20.534 -0.874 1
1 230 . 12 1 1 A 21 21 ALA N N 19 131.180 129.833 1.347 1
1 231 . 12 1 1 A 22 22 ARG H H 20 7.726 8.163 -0.437 1
1 232 . 12 1 1 A 22 22 ARG HA H 20 2.590 3.025 -0.435 1
1 239 . 12 1 1 A 22 22 ARG C C 20 178.531 177.173 1.358 1
1 240 . 12 1 1 A 22 22 ARG CA C 20 59.155 58.176 0.979 1
1 241 . 12 1 1 A 22 22 ARG CB C 20 29.167 29.498 -0.331 1
1 244 . 12 1 1 A 22 22 ARG N N 20 124.436 122.639 1.797 1
1 245 . 12 1 1 A 23 23 ALA H H 21 8.150 7.410 0.740 1
1 246 . 12 1 1 A 23 23 ALA HA H 21 4.019 4.137 -0.118 1
1 250 . 12 1 1 A 23 23 ALA C C 21 177.743 177.612 0.131 1
1 251 . 12 1 1 A 23 23 ALA CA C 21 53.809 53.332 0.477 1
1 252 . 12 1 1 A 23 23 ALA CB C 21 18.688 18.418 0.270 1
1 253 . 12 1 1 A 23 23 ALA N N 21 117.354 120.793 -3.439 1
1 254 . 12 1 1 A 24 24 ASN H H 22 7.706 7.932 -0.226 1
1 255 . 12 1 1 A 24 24 ASN HA H 22 4.906 4.839 0.067 1
1 260 . 12 1 1 A 24 24 ASN C C 22 174.889 174.992 -0.103 1
1 261 . 12 1 1 A 24 24 ASN CA C 22 52.590 52.502 0.088 1
1 262 . 12 1 1 A 24 24 ASN CB C 22 40.335 39.066 1.269 1
1 263 . 12 1 1 A 24 24 ASN N N 22 112.797 115.313 -2.516 1
1 265 . 12 1 1 A 25 25 VAL H H 23 7.457 7.295 0.162 1
1 266 . 12 1 1 A 25 25 VAL HA H 23 4.326 4.311 0.015 1
1 274 . 12 1 1 A 25 25 VAL C C 23 174.594 176.273 -1.679 1
1 275 . 12 1 1 A 25 25 VAL CA C 23 62.406 61.258 1.148 1
1 276 . 12 1 1 A 25 25 VAL CB C 23 33.445 32.355 1.090 1
1 278 . 12 1 1 A 25 25 VAL N N 23 118.772 119.444 -0.672 1
1 279 . 12 1 1 A 26 26 LYS H H 24 9.261 9.229 0.032 1
1 280 . 12 1 1 A 26 26 LYS HA H 24 4.406 4.367 0.039 1
1 289 . 12 1 1 A 26 26 LYS C C 24 175.247 176.242 -0.995 1
1 290 . 12 1 1 A 26 26 LYS CA C 24 56.483 57.765 -1.282 1
1 291 . 12 1 1 A 26 26 LYS CB C 24 35.023 33.407 1.616 1
1 295 . 12 1 1 A 26 26 LYS N N 24 125.197 124.626 0.571 1
1 296 . 12 1 1 A 27 27 HIS H H 25 7.811 7.089 0.722 1
1 297 . 12 1 1 A 27 27 HIS HA H 25 4.627 4.985 -0.358 1
1 302 . 12 1 1 A 27 27 HIS C C 25 173.157 172.370 0.787 1
1 303 . 12 1 1 A 27 27 HIS CA C 25 55.463 55.836 -0.373 1
1 304 . 12 1 1 A 27 27 HIS CB C 25 31.832 32.940 -1.108 1
1 307 . 12 1 1 A 27 27 HIS N N 25 115.509 118.367 -2.858 1
1 308 . 12 1 1 A 28 28 LEU H H 26 8.311 8.998 -0.687 1
1 309 . 12 1 1 A 28 28 LEU HA H 26 4.991 4.980 0.011 1
1 319 . 12 1 1 A 28 28 LEU C C 26 175.514 174.698 0.816 1
1 320 . 12 1 1 A 28 28 LEU CA C 26 54.662 53.611 1.051 1
1 321 . 12 1 1 A 28 28 LEU CB C 26 45.594 45.129 0.465 1
1 325 . 12 1 1 A 29 29 LYS H H 27 9.003 9.146 -0.143 1
1 326 . 12 1 1 A 29 29 LYS HA H 27 4.578 4.828 -0.250 1
1 335 . 12 1 1 A 29 29 LYS C C 27 173.758 174.927 -1.169 1
1 336 . 12 1 1 A 29 29 LYS CA C 27 54.945 54.748 0.197 1
1 337 . 12 1 1 A 29 29 LYS CB C 27 36.358 35.641 0.717 1
1 341 . 12 1 1 A 29 29 LYS N N 27 122.740 126.492 -3.752 1
1 342 . 12 1 1 A 30 30 ILE H H 28 8.526 8.935 -0.409 1
1 343 . 12 1 1 A 30 30 ILE HA H 28 4.623 4.755 -0.132 1
1 353 . 12 1 1 A 30 30 ILE C C 28 175.988 174.527 1.461 1
1 354 . 12 1 1 A 30 30 ILE CA C 28 60.122 60.653 -0.531 1
1 355 . 12 1 1 A 30 30 ILE CB C 28 38.795 38.917 -0.122 1
1 359 . 12 1 1 A 30 30 ILE N N 28 123.517 127.901 -4.384 1
1 360 . 12 1 1 A 31 31 LEU H H 29 8.910 9.682 -0.772 1
1 361 . 12 1 1 A 31 31 LEU HA H 29 4.553 5.112 -0.559 1
1 371 . 12 1 1 A 31 31 LEU C C 29 176.005 175.274 0.731 1
1 372 . 12 1 1 A 31 31 LEU CA C 29 53.975 53.468 0.507 1
1 373 . 12 1 1 A 31 31 LEU CB C 29 43.485 44.929 -1.444 1
1 376 . 12 1 1 A 31 31 LEU N N 29 128.881 130.171 -1.290 1
1 377 . 12 1 1 A 32 32 ASN H H 30 8.710 8.915 -0.205 1
1 378 . 12 1 1 A 32 32 ASN HA H 30 4.954 5.348 -0.394 1
1 383 . 12 1 1 A 32 32 ASN C C 30 174.462 174.629 -0.167 1
1 384 . 12 1 1 A 32 32 ASN CA C 30 52.413 51.892 0.521 1
1 385 . 12 1 1 A 32 32 ASN CB C 30 39.232 39.659 -0.427 1
1 386 . 12 1 1 A 32 32 ASN N N 30 124.019 124.817 -0.798 1
1 388 . 12 1 1 A 33 33 THR H H 31 8.094 8.892 -0.798 1
1 389 . 12 1 1 A 33 33 THR HA H 31 4.628 4.736 -0.108 1
1 394 . 12 1 1 A 33 33 THR CA C 31 59.475 58.912 0.563 1
1 395 . 12 1 1 A 33 33 THR CB C 31 70.459 71.751 -1.292 1
1 397 . 12 1 1 A 33 33 THR N N 31 118.961 117.148 1.813 1
1 398 . 12 1 1 A 34 34 PRO HA H 32 4.206 4.284 -0.078 1
1 405 . 12 1 1 A 34 34 PRO C C 32 176.814 177.033 -0.219 1
1 406 . 12 1 1 A 34 34 PRO CA C 32 64.445 65.295 -0.850 1
1 407 . 12 1 1 A 34 34 PRO CB C 32 32.170 31.894 0.276 1
1 410 . 12 1 1 A 35 35 ASN H H 33 8.504 8.385 0.119 1
1 411 . 12 1 1 A 35 35 ASN HA H 33 4.342 4.779 -0.437 1
1 416 . 12 1 1 A 35 35 ASN C C 33 174.344 175.588 -1.244 1
1 417 . 12 1 1 A 35 35 ASN CA C 33 54.945 52.921 2.024 1
1 418 . 12 1 1 A 35 35 ASN CB C 33 38.122 39.529 -1.407 1
1 419 . 12 1 1 A 35 35 ASN N N 33 113.042 113.206 -0.164 1
1 421 . 12 1 1 A 36 36 CYS H H 34 7.526 7.510 0.016 1
1 422 . 12 1 1 A 36 36 CYS HA H 34 4.878 4.785 0.093 1
1 425 . 12 1 1 A 36 36 CYS C C 34 173.880 173.976 -0.096 1
1 426 . 12 1 1 A 36 36 CYS CA C 34 54.622 55.700 -1.078 1
1 427 . 12 1 1 A 36 36 CYS CB C 34 44.780 43.492 1.288 1
1 428 . 12 1 1 A 36 36 CYS N N 34 116.301 116.887 -0.586 1
1 429 . 12 1 1 A 37 37 ALA H H 35 8.395 7.666 0.729 1
1 430 . 12 1 1 A 37 37 ALA HA H 35 4.205 4.019 0.186 1
1 434 . 12 1 1 A 37 37 ALA C C 35 176.677 176.506 0.171 1
1 435 . 12 1 1 A 37 37 ALA CA C 35 52.413 54.448 -2.035 1
1 436 . 12 1 1 A 37 37 ALA CB C 35 18.968 17.877 1.091 1
1 437 . 12 1 1 A 37 37 ALA N N 35 125.001 122.248 2.753 1
1 438 . 12 1 1 A 38 38 LEU H H 36 8.004 8.353 -0.349 1
1 439 . 12 1 1 A 38 38 LEU HA H 36 4.206 4.584 -0.378 1
1 449 . 12 1 1 A 38 38 LEU C C 36 176.194 174.887 1.307 1
1 450 . 12 1 1 A 38 38 LEU CA C 36 56.563 54.136 2.427 1
1 451 . 12 1 1 A 38 38 LEU CB C 36 42.465 42.862 -0.397 1
1 455 . 12 1 1 A 38 38 LEU N N 36 121.548 120.870 0.678 1
1 456 . 12 1 1 A 39 39 GLN H H 37 8.471 9.041 -0.570 1
1 457 . 12 1 1 A 39 39 GLN HA H 37 4.621 4.886 -0.265 1
1 464 . 12 1 1 A 39 39 GLN C C 37 173.581 174.731 -1.150 1
1 465 . 12 1 1 A 39 39 GLN CA C 37 54.172 55.490 -1.318 1
1 466 . 12 1 1 A 39 39 GLN CB C 37 32.461 30.131 2.330 1
1 468 . 12 1 1 A 39 39 GLN N N 37 123.271 125.819 -2.548 1
1 470 . 12 1 1 A 40 40 ILE H H 38 9.429 9.042 0.387 1
1 471 . 12 1 1 A 40 40 ILE HA H 38 4.718 4.769 -0.051 1
1 481 . 12 1 1 A 40 40 ILE C C 38 174.547 175.629 -1.082 1
1 482 . 12 1 1 A 40 40 ILE CA C 38 60.122 60.267 -0.145 1
1 483 . 12 1 1 A 40 40 ILE CB C 38 38.899 39.509 -0.610 1
1 487 . 12 1 1 A 40 40 ILE N N 38 124.702 125.177 -0.475 1
1 488 . 12 1 1 A 41 41 VAL H H 39 8.872 9.100 -0.228 1
1 489 . 12 1 1 A 41 41 VAL HA H 39 5.027 5.004 0.023 1
1 497 . 12 1 1 A 41 41 VAL C C 39 174.772 174.582 0.190 1
1 498 . 12 1 1 A 41 41 VAL CA C 39 60.111 61.152 -1.041 1
1 499 . 12 1 1 A 41 41 VAL CB C 39 34.767 33.827 0.940 1
1 501 . 12 1 1 A 41 41 VAL N N 39 124.441 127.634 -3.193 1
1 502 . 12 1 1 A 42 42 ALA H H 40 9.305 9.260 0.045 1
1 503 . 12 1 1 A 42 42 ALA HA H 40 5.289 5.294 -0.005 1
1 507 . 12 1 1 A 42 42 ALA C C 40 175.955 175.950 0.005 1
1 508 . 12 1 1 A 42 42 ALA CA C 40 50.093 50.745 -0.652 1
1 509 . 12 1 1 A 42 42 ALA CB C 40 24.063 23.374 0.689 1
1 510 . 12 1 1 A 42 42 ALA N N 40 126.567 128.406 -1.839 1
1 511 . 12 1 1 A 43 43 ARG H H 41 8.393 8.443 -0.050 1
1 512 . 12 1 1 A 43 43 ARG HA H 41 5.119 5.262 -0.143 1
1 519 . 12 1 1 A 43 43 ARG C C 41 176.184 175.764 0.420 1
1 520 . 12 1 1 A 43 43 ARG CA C 41 53.900 54.798 -0.898 1
1 521 . 12 1 1 A 43 43 ARG CB C 41 32.306 32.682 -0.376 1
1 524 . 12 1 1 A 43 43 ARG N N 41 118.991 120.781 -1.790 1
1 525 . 12 1 1 A 44 44 LEU H H 42 9.010 8.908 0.102 1
1 526 . 12 1 1 A 44 44 LEU HA H 42 4.934 5.083 -0.149 1
1 536 . 12 1 1 A 44 44 LEU C C 42 178.369 177.359 1.010 1
1 537 . 12 1 1 A 44 44 LEU CA C 42 54.329 53.938 0.391 1
1 538 . 12 1 1 A 44 44 LEU CB C 42 41.497 42.545 -1.048 1
1 542 . 12 1 1 A 44 44 LEU N N 42 125.764 124.541 1.223 1
1 543 . 12 1 1 A 45 45 LYS H H 43 8.474 9.523 -1.049 1
1 544 . 12 1 1 A 45 45 LYS HA H 43 3.821 4.085 -0.264 1
1 553 . 12 1 1 A 45 45 LYS CA C 43 59.340 58.415 0.925 1
1 554 . 12 1 1 A 45 45 LYS CB C 43 33.445 32.820 0.625 1
1 558 . 12 1 1 A 45 45 LYS N N 43 120.489 122.175 -1.686 1
1 559 . 12 1 1 A 46 46 ASN H H 44 8.657 8.397 0.260 1
1 560 . 12 1 1 A 46 46 ASN HA H 44 4.433 4.447 -0.014 1
1 565 . 12 1 1 A 46 46 ASN C C 44 175.970 177.500 -1.530 1
1 566 . 12 1 1 A 46 46 ASN CA C 44 55.457 56.173 -0.716 1
1 567 . 12 1 1 A 46 46 ASN CB C 44 37.507 38.832 -1.325 1
1 569 . 12 1 1 A 47 47 ASN H H 45 7.566 7.855 -0.289 1
1 570 . 12 1 1 A 47 47 ASN HA H 45 4.654 4.797 -0.143 1
1 575 . 12 1 1 A 47 47 ASN C C 45 175.461 175.166 0.295 1
1 576 . 12 1 1 A 47 47 ASN CA C 45 52.769 53.916 -1.147 1
1 577 . 12 1 1 A 47 47 ASN CB C 45 39.203 39.087 0.116 1
1 578 . 12 1 1 A 47 47 ASN N N 45 115.277 116.213 -0.936 1
1 580 . 12 1 1 A 48 48 ASN H H 46 8.008 8.220 -0.212 1
1 581 . 12 1 1 A 48 48 ASN HA H 46 4.649 4.898 -0.249 1
1 586 . 12 1 1 A 48 48 ASN C C 46 174.812 174.137 0.675 1
1 587 . 12 1 1 A 48 48 ASN CA C 46 54.491 54.658 -0.167 1
1 588 . 12 1 1 A 48 48 ASN CB C 46 39.092 38.146 0.946 1
1 589 . 12 1 1 A 48 48 ASN N N 46 116.416 117.563 -1.147 1
1 591 . 12 1 1 A 49 49 ARG H H 47 7.918 7.780 0.138 1
1 592 . 12 1 1 A 49 49 ARG HA H 47 4.206 4.323 -0.117 1
1 599 . 12 1 1 A 49 49 ARG C C 47 175.719 175.400 0.319 1
1 600 . 12 1 1 A 49 49 ARG CA C 47 57.084 56.656 0.428 1
1 601 . 12 1 1 A 49 49 ARG CB C 47 31.785 31.548 0.237 1
1 604 . 12 1 1 A 49 49 ARG N N 47 120.017 120.837 -0.820 1
1 605 . 12 1 1 A 50 50 GLN H H 48 8.617 8.677 -0.060 1
1 606 . 12 1 1 A 50 50 GLN HA H 48 5.212 5.015 0.197 1
1 613 . 12 1 1 A 50 50 GLN C C 48 175.697 175.762 -0.065 1
1 614 . 12 1 1 A 50 50 GLN CA C 48 55.454 55.235 0.219 1
1 615 . 12 1 1 A 50 50 GLN CB C 48 30.953 30.184 0.769 1
1 617 . 12 1 1 A 50 50 GLN N N 48 123.029 122.651 0.378 1
1 619 . 12 1 1 A 51 51 VAL H H 49 9.009 9.328 -0.319 1
1 620 . 12 1 1 A 51 51 VAL HA H 49 4.747 4.859 -0.112 1
1 628 . 12 1 1 A 51 51 VAL C C 49 174.561 174.337 0.224 1
1 629 . 12 1 1 A 51 51 VAL CA C 49 59.266 58.863 0.403 1
1 630 . 12 1 1 A 51 51 VAL CB C 49 35.845 35.381 0.464 1
1 633 . 12 1 1 A 51 51 VAL N N 49 119.358 119.505 -0.147 1
1 634 . 12 1 1 A 52 52 CYS H H 50 8.850 8.454 0.396 1
1 635 . 12 1 1 A 52 52 CYS HA H 50 5.605 5.742 -0.137 1
1 638 . 12 1 1 A 52 52 CYS C C 50 174.469 172.875 1.594 1
1 639 . 12 1 1 A 52 52 CYS CA C 50 56.377 54.825 1.552 1
1 640 . 12 1 1 A 52 52 CYS CB C 50 44.694 43.757 0.937 1
1 641 . 12 1 1 A 52 52 CYS N N 50 120.834 119.809 1.025 1
1 642 . 12 1 1 A 53 53 ILE H H 51 8.656 9.194 -0.538 1
1 643 . 12 1 1 A 53 53 ILE HA H 51 4.461 4.774 -0.313 1
1 653 . 12 1 1 A 53 53 ILE C C 51 174.137 174.850 -0.713 1
1 654 . 12 1 1 A 53 53 ILE CA C 51 59.671 59.997 -0.326 1
1 655 . 12 1 1 A 53 53 ILE CB C 51 39.603 41.761 -2.158 1
1 659 . 12 1 1 A 53 53 ILE N N 51 122.740 124.214 -1.474 1
1 660 . 12 1 1 A 54 54 ASP H H 52 7.746 8.015 -0.269 1
1 661 . 12 1 1 A 54 54 ASP HA H 52 3.650 4.283 -0.633 1
1 664 . 12 1 1 A 54 54 ASP CA C 52 51.578 51.563 0.015 1
1 665 . 12 1 1 A 54 54 ASP CB C 52 42.384 41.910 0.474 1
1 666 . 12 1 1 A 54 54 ASP N N 52 126.398 126.463 -0.065 1
1 667 . 12 1 1 A 55 55 PRO HA H 53 3.990 4.334 -0.344 1
1 674 . 12 1 1 A 55 55 PRO C C 53 176.274 176.461 -0.187 1
1 675 . 12 1 1 A 55 55 PRO CA C 53 63.546 63.911 -0.365 1
1 676 . 12 1 1 A 55 55 PRO CB C 53 32.272 31.398 0.874 1
1 679 . 12 1 1 A 56 56 LYS H H 54 8.054 7.756 0.298 1
1 680 . 12 1 1 A 56 56 LYS HA H 54 3.954 4.342 -0.388 1
1 689 . 12 1 1 A 56 56 LYS C C 54 177.867 176.506 1.361 1
1 690 . 12 1 1 A 56 56 LYS CA C 54 56.189 56.142 0.047 1
1 691 . 12 1 1 A 56 56 LYS CB C 54 31.680 33.175 -1.495 1
1 695 . 12 1 1 A 56 56 LYS N N 54 115.161 116.321 -1.160 1
1 696 . 12 1 1 A 57 57 LEU H H 55 7.172 6.988 0.184 1
1 697 . 12 1 1 A 57 57 LEU HA H 55 4.021 4.149 -0.128 1
1 707 . 12 1 1 A 57 57 LEU C C 55 179.221 177.506 1.715 1
1 708 . 12 1 1 A 57 57 LEU CA C 55 55.781 55.337 0.444 1
1 709 . 12 1 1 A 57 57 LEU CB C 55 41.739 41.794 -0.055 1
1 713 . 12 1 1 A 57 57 LEU N N 55 120.921 121.459 -0.538 1
1 714 . 12 1 1 A 58 58 LYS H H 56 8.753 8.813 -0.060 1
1 715 . 12 1 1 A 58 58 LYS HA H 56 3.898 3.902 -0.004 1
1 724 . 12 1 1 A 58 58 LYS C C 56 179.161 178.297 0.864 1
1 725 . 12 1 1 A 58 58 LYS CA C 56 60.318 59.537 0.781 1
1 726 . 12 1 1 A 58 58 LYS CB C 56 32.100 32.084 0.016 1
1 730 . 12 1 1 A 58 58 LYS N N 56 125.449 124.625 0.824 1
1 731 . 12 1 1 A 59 59 TRP H H 57 7.889 8.326 -0.437 1
1 732 . 12 1 1 A 59 59 TRP HA H 57 4.612 4.528 0.084 1
1 741 . 12 1 1 A 59 59 TRP C C 57 178.642 179.246 -0.604 1
1 742 . 12 1 1 A 59 59 TRP CA C 57 58.388 59.743 -1.355 1
1 743 . 12 1 1 A 59 59 TRP CB C 57 27.954 28.052 -0.098 1
1 749 . 12 1 1 A 59 59 TRP N N 57 113.858 119.218 -5.360 1
1 751 . 12 1 1 A 60 60 ILE H H 58 6.296 7.428 -1.132 1
1 752 . 12 1 1 A 60 60 ILE HA H 58 3.627 3.371 0.256 1
1 762 . 12 1 1 A 60 60 ILE C C 58 177.104 177.463 -0.359 1
1 763 . 12 1 1 A 60 60 ILE CA C 58 61.605 64.137 -2.532 1
1 764 . 12 1 1 A 60 60 ILE CB C 58 36.043 35.791 0.252 1
1 768 . 12 1 1 A 60 60 ILE N N 58 123.265 122.147 1.118 1
1 769 . 12 1 1 A 61 61 GLN H H 59 7.650 8.387 -0.737 1
1 770 . 12 1 1 A 61 61 GLN HA H 59 3.811 3.986 -0.175 1
1 777 . 12 1 1 A 61 61 GLN C C 59 178.933 178.995 -0.062 1
1 778 . 12 1 1 A 61 61 GLN CA C 59 59.663 59.135 0.528 1
1 779 . 12 1 1 A 61 61 GLN CB C 59 27.972 27.985 -0.013 1
1 781 . 12 1 1 A 61 61 GLN N N 59 120.850 119.276 1.574 1
1 783 . 12 1 1 A 62 62 GLU H H 60 8.057 7.920 0.137 1
1 784 . 12 1 1 A 62 62 GLU HA H 60 4.081 4.048 0.033 1
1 789 . 12 1 1 A 62 62 GLU C C 60 178.539 178.568 -0.029 1
1 790 . 12 1 1 A 62 62 GLU CA C 60 59.152 59.214 -0.062 1
1 791 . 12 1 1 A 62 62 GLU CB C 60 29.896 29.456 0.440 1
1 793 . 12 1 1 A 62 62 GLU N N 60 117.976 121.155 -3.179 1
1 794 . 12 1 1 A 63 63 TYR H H 61 8.004 8.387 -0.383 1
1 795 . 12 1 1 A 63 63 TYR HA H 61 4.216 4.176 0.040 1
1 802 . 12 1 1 A 63 63 TYR C C 61 178.157 176.967 1.190 1
1 803 . 12 1 1 A 63 63 TYR CA C 61 61.281 61.343 -0.062 1
1 804 . 12 1 1 A 63 63 TYR CB C 61 38.956 38.748 0.208 1
1 807 . 12 1 1 A 63 63 TYR N N 61 120.743 122.373 -1.630 1
1 808 . 12 1 1 A 64 64 LEU H H 62 8.460 8.838 -0.378 1
1 809 . 12 1 1 A 64 64 LEU HA H 62 3.850 3.642 0.208 1
1 819 . 12 1 1 A 64 64 LEU C C 62 178.678 178.963 -0.285 1
1 820 . 12 1 1 A 64 64 LEU CA C 62 57.619 57.459 0.160 1
1 821 . 12 1 1 A 64 64 LEU CB C 62 41.868 41.193 0.675 1
1 825 . 12 1 1 A 64 64 LEU N N 62 119.052 119.355 -0.303 1
1 826 . 12 1 1 A 65 65 GLU H H 63 7.850 8.409 -0.559 1
1 827 . 12 1 1 A 65 65 GLU HA H 63 3.974 3.820 0.154 1
1 832 . 12 1 1 A 65 65 GLU C C 63 178.447 178.471 -0.024 1
1 833 . 12 1 1 A 65 65 GLU CA C 63 59.143 60.030 -0.887 1
1 834 . 12 1 1 A 65 65 GLU CB C 63 29.721 29.367 0.354 1
1 836 . 12 1 1 A 65 65 GLU N N 63 118.310 120.602 -2.292 1
1 837 . 12 1 1 A 66 66 LYS H H 64 7.648 7.973 -0.325 1
1 838 . 12 1 1 A 66 66 LYS HA H 64 4.156 3.981 0.175 1
1 847 . 12 1 1 A 66 66 LYS C C 64 177.941 178.701 -0.760 1
1 848 . 12 1 1 A 66 66 LYS CA C 64 57.820 59.400 -1.580 1
1 849 . 12 1 1 A 66 66 LYS CB C 64 32.620 32.424 0.196 1
1 853 . 12 1 1 A 66 66 LYS N N 64 117.638 119.729 -2.091 1
1 854 . 12 1 1 A 67 67 ALA H H 65 8.004 8.027 -0.023 1
1 855 . 12 1 1 A 67 67 ALA HA H 65 4.068 3.956 0.112 1
1 859 . 12 1 1 A 67 67 ALA C C 65 178.624 180.025 -1.401 1
1 860 . 12 1 1 A 67 67 ALA CA C 65 53.790 54.665 -0.875 1
1 861 . 12 1 1 A 67 67 ALA CB C 65 19.082 18.300 0.782 1
1 862 . 12 1 1 A 67 67 ALA N N 65 121.228 120.501 0.727 1
1 863 . 12 1 1 A 68 68 LEU H H 66 7.791 8.217 -0.426 1
1 864 . 12 1 1 A 68 68 LEU HA H 66 4.274 3.981 0.293 1
1 874 . 12 1 1 A 68 68 LEU CA C 66 55.593 57.030 -1.437 1
1 875 . 12 1 1 A 68 68 LEU CB C 66 42.329 41.721 0.608 1
1 878 . 12 1 1 A 68 68 LEU N N 66 116.882 119.914 -3.032 1
1 879 . 12 1 1 A 69 69 ASN H H 67 7.914 7.956 -0.042 1
1 880 . 12 1 1 A 69 69 ASN HA H 67 4.803 4.518 0.285 1
1 885 . 12 1 1 A 69 69 ASN C C 67 174.039 177.421 -3.382 1
1 886 . 12 1 1 A 69 69 ASN CA C 67 53.434 55.481 -2.047 1
1 887 . 12 1 1 A 69 69 ASN CB C 67 39.601 38.306 1.295 1
1 888 . 12 1 1 A 69 69 ASN N N 67 118.309 118.033 0.276 1
1 18 . 13 1 1 A 4 4 PRO HA H 2 4.416 4.580 -0.164 1
1 25 . 13 1 1 A 4 4 PRO C C 2 176.996 177.692 -0.696 1
1 26 . 13 1 1 A 4 4 PRO CA C 2 63.494 63.844 -0.350 1
1 27 . 13 1 1 A 4 4 PRO CB C 2 32.161 32.285 -0.124 1
1 30 . 13 1 1 A 5 5 VAL H H 3 8.227 7.960 0.267 1
1 31 . 13 1 1 A 5 5 VAL HA H 3 4.058 4.058 0.000 1
1 39 . 13 1 1 A 5 5 VAL C C 3 176.376 175.450 0.926 1
1 40 . 13 1 1 A 5 5 VAL CA C 3 62.495 63.736 -1.241 1
1 41 . 13 1 1 A 5 5 VAL CB C 3 32.808 32.079 0.729 1
1 43 . 13 1 1 A 5 5 VAL N N 3 121.008 118.337 2.671 1
1 44 . 13 1 1 A 6 6 SER H H 4 8.270 7.856 0.414 1
1 45 . 13 1 1 A 6 6 SER HA H 4 4.409 4.800 -0.391 1
1 48 . 13 1 1 A 6 6 SER C C 4 174.577 173.550 1.027 1
1 49 . 13 1 1 A 6 6 SER CA C 4 58.148 57.034 1.114 1
1 50 . 13 1 1 A 6 6 SER CB C 4 63.870 67.101 -3.231 1
1 51 . 13 1 1 A 6 6 SER N N 4 119.573 114.977 4.596 1
1 52 . 13 1 1 A 7 7 LEU H H 5 8.273 8.636 -0.363 1
1 53 . 13 1 1 A 7 7 LEU HA H 5 4.320 4.136 0.184 1
1 63 . 13 1 1 A 7 7 LEU C C 5 177.341 175.942 1.399 1
1 64 . 13 1 1 A 7 7 LEU CA C 5 55.388 55.635 -0.247 1
1 65 . 13 1 1 A 7 7 LEU CB C 5 42.650 41.032 1.618 1
1 68 . 13 1 1 A 7 7 LEU N N 5 125.039 120.150 4.889 1
1 69 . 13 1 1 A 8 8 SER H H 6 8.127 8.178 -0.051 1
1 70 . 13 1 1 A 8 8 SER HA H 6 4.335 4.609 -0.274 1
1 73 . 13 1 1 A 8 8 SER C C 6 174.189 173.973 0.216 1
1 74 . 13 1 1 A 8 8 SER CA C 6 58.433 58.045 0.388 1
1 75 . 13 1 1 A 8 8 SER CB C 6 63.870 63.172 0.698 1
1 76 . 13 1 1 A 8 8 SER N N 6 116.154 119.129 -2.975 1
1 77 . 13 1 1 A 9 9 TYR H H 7 7.971 8.661 -0.690 1
1 78 . 13 1 1 A 9 9 TYR HA H 7 4.502 5.011 -0.509 1
1 85 . 13 1 1 A 9 9 TYR C C 7 175.520 176.151 -0.631 1
1 86 . 13 1 1 A 9 9 TYR CA C 7 58.008 56.672 1.336 1
1 87 . 13 1 1 A 9 9 TYR CB C 7 38.956 39.902 -0.946 1
1 90 . 13 1 1 A 9 9 TYR N N 7 122.213 122.845 -0.632 1
1 91 . 13 1 1 A 10 10 ARG H H 8 8.118 8.863 -0.745 1
1 92 . 13 1 1 A 10 10 ARG HA H 8 4.253 4.254 -0.001 1
1 99 . 13 1 1 A 10 10 ARG C C 8 175.918 176.381 -0.463 1
1 100 . 13 1 1 A 10 10 ARG CA C 8 56.104 56.776 -0.672 1
1 101 . 13 1 1 A 10 10 ARG CB C 8 30.875 30.994 -0.119 1
1 104 . 13 1 1 A 10 10 ARG N N 8 122.182 119.512 2.670 1
1 105 . 13 1 1 A 11 11 CYS H H 9 8.097 7.852 0.245 1
1 106 . 13 1 1 A 11 11 CYS HA H 9 4.909 4.942 -0.033 1
1 109 . 13 1 1 A 11 11 CYS C C 9 173.615 173.640 -0.025 1
1 110 . 13 1 1 A 11 11 CYS CA C 9 53.127 54.208 -1.081 1
1 111 . 13 1 1 A 11 11 CYS CB C 9 40.218 43.734 -3.516 1
1 112 . 13 1 1 A 11 11 CYS N N 9 121.280 118.749 2.531 1
1 113 . 13 1 1 A 12 12 PRO HA H 10 4.275 4.390 -0.115 1
1 120 . 13 1 1 A 12 12 PRO C C 10 177.703 176.621 1.082 1
1 121 . 13 1 1 A 12 12 PRO CA C 10 64.859 65.014 -0.155 1
1 122 . 13 1 1 A 12 12 PRO CB C 10 32.508 31.609 0.899 1
1 125 . 13 1 1 A 13 13 CYS H H 11 8.248 8.125 0.123 1
1 126 . 13 1 1 A 13 13 CYS HA H 11 4.827 4.687 0.140 1
1 129 . 13 1 1 A 13 13 CYS C C 11 174.202 172.670 1.532 1
1 130 . 13 1 1 A 13 13 CYS CA C 11 53.429 54.803 -1.374 1
1 131 . 13 1 1 A 13 13 CYS CB C 11 39.603 44.025 -4.422 1
1 132 . 13 1 1 A 13 13 CYS N N 11 114.161 115.875 -1.714 1
1 133 . 13 1 1 A 14 14 ARG HA H 12 3.984 4.511 -0.527 1
1 140 . 13 1 1 A 14 14 ARG C C 12 175.202 175.765 -0.563 1
1 141 . 13 1 1 A 14 14 ARG CA C 12 57.293 56.641 0.652 1
1 142 . 13 1 1 A 14 14 ARG CB C 12 31.098 32.718 -1.620 1
1 145 . 13 1 1 A 15 15 PHE H H 13 7.524 7.313 0.211 1
1 146 . 13 1 1 A 15 15 PHE HA H 13 4.488 4.900 -0.412 1
1 154 . 13 1 1 A 15 15 PHE C C 13 174.226 174.321 -0.095 1
1 155 . 13 1 1 A 15 15 PHE CA C 13 55.971 55.165 0.806 1
1 156 . 13 1 1 A 15 15 PHE CB C 13 41.059 41.071 -0.012 1
1 160 . 13 1 1 A 15 15 PHE N N 13 116.175 116.846 -0.671 1
1 161 . 13 1 1 A 16 16 PHE H H 14 8.309 9.170 -0.861 1
1 162 . 13 1 1 A 16 16 PHE HA H 14 4.794 5.226 -0.432 1
1 170 . 13 1 1 A 16 16 PHE C C 14 175.247 175.399 -0.152 1
1 171 . 13 1 1 A 16 16 PHE CA C 14 55.559 56.095 -0.536 1
1 172 . 13 1 1 A 16 16 PHE CB C 14 41.220 42.740 -1.520 1
1 176 . 13 1 1 A 16 16 PHE N N 14 119.656 118.417 1.239 1
1 177 . 13 1 1 A 17 17 GLU H H 15 8.904 9.739 -0.835 1
1 178 . 13 1 1 A 17 17 GLU HA H 15 4.525 4.677 -0.152 1
1 183 . 13 1 1 A 17 17 GLU C C 15 176.747 176.684 0.063 1
1 184 . 13 1 1 A 17 17 GLU CA C 15 56.012 57.305 -1.293 1
1 185 . 13 1 1 A 17 17 GLU CB C 15 30.894 30.694 0.200 1
1 187 . 13 1 1 A 17 17 GLU N N 15 122.929 123.652 -0.723 1
1 188 . 13 1 1 A 18 18 SER H H 16 8.752 9.034 -0.282 1
1 189 . 13 1 1 A 18 18 SER HA H 16 4.708 4.720 -0.012 1
1 192 . 13 1 1 A 18 18 SER C C 16 174.278 175.141 -0.863 1
1 193 . 13 1 1 A 18 18 SER CA C 16 59.799 58.016 1.783 1
1 194 . 13 1 1 A 18 18 SER CB C 16 64.023 64.102 -0.079 1
1 195 . 13 1 1 A 18 18 SER N N 16 119.679 119.806 -0.127 1
1 196 . 13 1 1 A 19 19 HIS H H 17 9.044 8.042 1.002 1
1 197 . 13 1 1 A 19 19 HIS HA H 17 4.873 4.816 0.057 1
1 202 . 13 1 1 A 19 19 HIS C C 17 174.580 175.348 -0.768 1
1 203 . 13 1 1 A 19 19 HIS CA C 17 56.240 55.618 0.622 1
1 204 . 13 1 1 A 19 19 HIS CB C 17 28.272 30.078 -1.806 1
1 207 . 13 1 1 A 19 19 HIS N N 17 120.269 120.238 0.031 1
1 208 . 13 1 1 A 20 20 VAL H H 18 7.212 7.358 -0.146 1
1 209 . 13 1 1 A 20 20 VAL HA H 18 4.226 3.965 0.261 1
1 217 . 13 1 1 A 20 20 VAL C C 18 174.138 175.275 -1.137 1
1 218 . 13 1 1 A 20 20 VAL CA C 18 61.605 63.090 -1.485 1
1 219 . 13 1 1 A 20 20 VAL CB C 18 34.102 32.275 1.827 1
1 221 . 13 1 1 A 20 20 VAL N N 18 119.528 120.429 -0.901 1
1 222 . 13 1 1 A 21 21 ALA H H 19 8.553 8.176 0.377 1
1 223 . 13 1 1 A 21 21 ALA HA H 19 4.340 4.550 -0.210 1
1 227 . 13 1 1 A 21 21 ALA C C 19 177.514 177.469 0.045 1
1 228 . 13 1 1 A 21 21 ALA CA C 19 50.666 50.442 0.224 1
1 229 . 13 1 1 A 21 21 ALA CB C 19 19.660 20.572 -0.912 1
1 230 . 13 1 1 A 21 21 ALA N N 19 131.180 129.647 1.533 1
1 231 . 13 1 1 A 22 22 ARG H H 20 7.726 8.072 -0.346 1
1 232 . 13 1 1 A 22 22 ARG HA H 20 2.590 3.297 -0.707 1
1 239 . 13 1 1 A 22 22 ARG C C 20 178.531 177.431 1.100 1
1 240 . 13 1 1 A 22 22 ARG CA C 20 59.155 58.502 0.653 1
1 241 . 13 1 1 A 22 22 ARG CB C 20 29.167 28.975 0.192 1
1 244 . 13 1 1 A 22 22 ARG N N 20 124.436 123.727 0.709 1
1 245 . 13 1 1 A 23 23 ALA H H 21 8.150 7.549 0.601 1
1 246 . 13 1 1 A 23 23 ALA HA H 21 4.019 4.089 -0.070 1
1 250 . 13 1 1 A 23 23 ALA C C 21 177.743 178.292 -0.549 1
1 251 . 13 1 1 A 23 23 ALA CA C 21 53.809 53.680 0.129 1
1 252 . 13 1 1 A 23 23 ALA CB C 21 18.688 18.381 0.307 1
1 253 . 13 1 1 A 23 23 ALA N N 21 117.354 120.870 -3.516 1
1 254 . 13 1 1 A 24 24 ASN H H 22 7.706 7.674 0.032 1
1 255 . 13 1 1 A 24 24 ASN HA H 22 4.906 4.754 0.152 1
1 260 . 13 1 1 A 24 24 ASN C C 22 174.889 175.439 -0.550 1
1 261 . 13 1 1 A 24 24 ASN CA C 22 52.590 53.764 -1.174 1
1 262 . 13 1 1 A 24 24 ASN CB C 22 40.335 39.201 1.134 1
1 263 . 13 1 1 A 24 24 ASN N N 22 112.797 116.002 -3.205 1
1 265 . 13 1 1 A 25 25 VAL H H 23 7.457 7.550 -0.093 1
1 266 . 13 1 1 A 25 25 VAL HA H 23 4.326 4.273 0.053 1
1 274 . 13 1 1 A 25 25 VAL C C 23 174.594 176.394 -1.800 1
1 275 . 13 1 1 A 25 25 VAL CA C 23 62.406 62.838 -0.432 1
1 276 . 13 1 1 A 25 25 VAL CB C 23 33.445 32.099 1.346 1
1 278 . 13 1 1 A 25 25 VAL N N 23 118.772 119.984 -1.212 1
1 279 . 13 1 1 A 26 26 LYS H H 24 9.261 9.381 -0.120 1
1 280 . 13 1 1 A 26 26 LYS HA H 24 4.406 4.342 0.064 1
1 289 . 13 1 1 A 26 26 LYS C C 24 175.247 176.225 -0.978 1
1 290 . 13 1 1 A 26 26 LYS CA C 24 56.483 57.712 -1.229 1
1 291 . 13 1 1 A 26 26 LYS CB C 24 35.023 33.313 1.710 1
1 295 . 13 1 1 A 26 26 LYS N N 24 125.197 123.152 2.045 1
1 296 . 13 1 1 A 27 27 HIS H H 25 7.811 7.081 0.730 1
1 297 . 13 1 1 A 27 27 HIS HA H 25 4.627 4.968 -0.341 1
1 302 . 13 1 1 A 27 27 HIS C C 25 173.157 172.569 0.588 1
1 303 . 13 1 1 A 27 27 HIS CA C 25 55.463 55.868 -0.405 1
1 304 . 13 1 1 A 27 27 HIS CB C 25 31.832 32.676 -0.844 1
1 307 . 13 1 1 A 27 27 HIS N N 25 115.509 118.221 -2.712 1
1 308 . 13 1 1 A 28 28 LEU H H 26 8.311 8.837 -0.526 1
1 309 . 13 1 1 A 28 28 LEU HA H 26 4.991 4.881 0.110 1
1 319 . 13 1 1 A 28 28 LEU C C 26 175.514 175.105 0.409 1
1 320 . 13 1 1 A 28 28 LEU CA C 26 54.662 53.900 0.762 1
1 321 . 13 1 1 A 28 28 LEU CB C 26 45.594 44.238 1.356 1
1 325 . 13 1 1 A 29 29 LYS H H 27 9.003 8.949 0.054 1
1 326 . 13 1 1 A 29 29 LYS HA H 27 4.578 4.738 -0.160 1
1 335 . 13 1 1 A 29 29 LYS C C 27 173.758 174.497 -0.739 1
1 336 . 13 1 1 A 29 29 LYS CA C 27 54.945 54.957 -0.012 1
1 337 . 13 1 1 A 29 29 LYS CB C 27 36.358 35.555 0.803 1
1 341 . 13 1 1 A 29 29 LYS N N 27 122.740 125.675 -2.935 1
1 342 . 13 1 1 A 30 30 ILE H H 28 8.526 8.927 -0.401 1
1 343 . 13 1 1 A 30 30 ILE HA H 28 4.623 4.751 -0.128 1
1 353 . 13 1 1 A 30 30 ILE C C 28 175.988 174.534 1.454 1
1 354 . 13 1 1 A 30 30 ILE CA C 28 60.122 60.255 -0.133 1
1 355 . 13 1 1 A 30 30 ILE CB C 28 38.795 39.974 -1.179 1
1 359 . 13 1 1 A 30 30 ILE N N 28 123.517 127.912 -4.395 1
1 360 . 13 1 1 A 31 31 LEU H H 29 8.910 9.597 -0.687 1
1 361 . 13 1 1 A 31 31 LEU HA H 29 4.553 5.209 -0.656 1
1 371 . 13 1 1 A 31 31 LEU C C 29 176.005 175.085 0.920 1
1 372 . 13 1 1 A 31 31 LEU CA C 29 53.975 53.463 0.512 1
1 373 . 13 1 1 A 31 31 LEU CB C 29 43.485 45.599 -2.114 1
1 376 . 13 1 1 A 31 31 LEU N N 29 128.881 130.094 -1.213 1
1 377 . 13 1 1 A 32 32 ASN H H 30 8.710 9.032 -0.322 1
1 378 . 13 1 1 A 32 32 ASN HA H 30 4.954 5.674 -0.720 1
1 383 . 13 1 1 A 32 32 ASN C C 30 174.462 174.545 -0.083 1
1 384 . 13 1 1 A 32 32 ASN CA C 30 52.413 51.597 0.816 1
1 385 . 13 1 1 A 32 32 ASN CB C 30 39.232 40.181 -0.949 1
1 386 . 13 1 1 A 32 32 ASN N N 30 124.019 124.961 -0.942 1
1 388 . 13 1 1 A 33 33 THR H H 31 8.094 8.559 -0.465 1
1 389 . 13 1 1 A 33 33 THR HA H 31 4.628 4.749 -0.121 1
1 394 . 13 1 1 A 33 33 THR CA C 31 59.475 58.896 0.579 1
1 395 . 13 1 1 A 33 33 THR CB C 31 70.459 72.094 -1.635 1
1 397 . 13 1 1 A 33 33 THR N N 31 118.961 117.798 1.163 1
1 398 . 13 1 1 A 34 34 PRO HA H 32 4.206 4.275 -0.069 1
1 405 . 13 1 1 A 34 34 PRO C C 32 176.814 177.660 -0.846 1
1 406 . 13 1 1 A 34 34 PRO CA C 32 64.445 65.903 -1.458 1
1 407 . 13 1 1 A 34 34 PRO CB C 32 32.170 31.450 0.720 1
1 410 . 13 1 1 A 35 35 ASN H H 33 8.504 8.476 0.028 1
1 411 . 13 1 1 A 35 35 ASN HA H 33 4.342 4.846 -0.504 1
1 416 . 13 1 1 A 35 35 ASN C C 33 174.344 176.059 -1.715 1
1 417 . 13 1 1 A 35 35 ASN CA C 33 54.945 52.578 2.367 1
1 418 . 13 1 1 A 35 35 ASN CB C 33 38.122 38.851 -0.729 1
1 419 . 13 1 1 A 35 35 ASN N N 33 113.042 112.594 0.448 1
1 421 . 13 1 1 A 36 36 CYS H H 34 7.526 7.805 -0.279 1
1 422 . 13 1 1 A 36 36 CYS HA H 34 4.878 4.697 0.181 1
1 425 . 13 1 1 A 36 36 CYS C C 34 173.880 174.330 -0.450 1
1 426 . 13 1 1 A 36 36 CYS CA C 34 54.622 55.598 -0.976 1
1 427 . 13 1 1 A 36 36 CYS CB C 34 44.780 43.256 1.524 1
1 428 . 13 1 1 A 36 36 CYS N N 34 116.301 116.891 -0.590 1
1 429 . 13 1 1 A 37 37 ALA H H 35 8.395 7.681 0.714 1
1 430 . 13 1 1 A 37 37 ALA HA H 35 4.205 4.057 0.148 1
1 434 . 13 1 1 A 37 37 ALA C C 35 176.677 176.579 0.098 1
1 435 . 13 1 1 A 37 37 ALA CA C 35 52.413 54.348 -1.935 1
1 436 . 13 1 1 A 37 37 ALA CB C 35 18.968 17.865 1.103 1
1 437 . 13 1 1 A 37 37 ALA N N 35 125.001 123.005 1.996 1
1 438 . 13 1 1 A 38 38 LEU H H 36 8.004 8.357 -0.353 1
1 439 . 13 1 1 A 38 38 LEU HA H 36 4.206 4.694 -0.488 1
1 449 . 13 1 1 A 38 38 LEU C C 36 176.194 174.896 1.298 1
1 450 . 13 1 1 A 38 38 LEU CA C 36 56.563 54.755 1.808 1
1 451 . 13 1 1 A 38 38 LEU CB C 36 42.465 42.694 -0.229 1
1 455 . 13 1 1 A 38 38 LEU N N 36 121.548 120.903 0.645 1
1 456 . 13 1 1 A 39 39 GLN H H 37 8.471 9.259 -0.788 1
1 457 . 13 1 1 A 39 39 GLN HA H 37 4.621 5.149 -0.528 1
1 464 . 13 1 1 A 39 39 GLN C C 37 173.581 174.650 -1.069 1
1 465 . 13 1 1 A 39 39 GLN CA C 37 54.172 54.387 -0.215 1
1 466 . 13 1 1 A 39 39 GLN CB C 37 32.461 31.562 0.899 1
1 468 . 13 1 1 A 39 39 GLN N N 37 123.271 125.613 -2.342 1
1 470 . 13 1 1 A 40 40 ILE H H 38 9.429 8.579 0.850 1
1 471 . 13 1 1 A 40 40 ILE HA H 38 4.718 4.764 -0.046 1
1 481 . 13 1 1 A 40 40 ILE C C 38 174.547 175.526 -0.979 1
1 482 . 13 1 1 A 40 40 ILE CA C 38 60.122 60.226 -0.104 1
1 483 . 13 1 1 A 40 40 ILE CB C 38 38.899 39.847 -0.948 1
1 487 . 13 1 1 A 40 40 ILE N N 38 124.702 124.792 -0.090 1
1 488 . 13 1 1 A 41 41 VAL H H 39 8.872 8.972 -0.100 1
1 489 . 13 1 1 A 41 41 VAL HA H 39 5.027 4.926 0.101 1
1 497 . 13 1 1 A 41 41 VAL C C 39 174.772 174.737 0.035 1
1 498 . 13 1 1 A 41 41 VAL CA C 39 60.111 61.077 -0.966 1
1 499 . 13 1 1 A 41 41 VAL CB C 39 34.767 33.822 0.945 1
1 501 . 13 1 1 A 41 41 VAL N N 39 124.441 127.207 -2.766 1
1 502 . 13 1 1 A 42 42 ALA H H 40 9.305 9.093 0.212 1
1 503 . 13 1 1 A 42 42 ALA HA H 40 5.289 5.335 -0.046 1
1 507 . 13 1 1 A 42 42 ALA C C 40 175.955 175.983 -0.028 1
1 508 . 13 1 1 A 42 42 ALA CA C 40 50.093 50.878 -0.785 1
1 509 . 13 1 1 A 42 42 ALA CB C 40 24.063 22.799 1.264 1
1 510 . 13 1 1 A 42 42 ALA N N 40 126.567 128.356 -1.789 1
1 511 . 13 1 1 A 43 43 ARG H H 41 8.393 8.604 -0.211 1
1 512 . 13 1 1 A 43 43 ARG HA H 41 5.119 5.155 -0.036 1
1 519 . 13 1 1 A 43 43 ARG C C 41 176.184 175.829 0.355 1
1 520 . 13 1 1 A 43 43 ARG CA C 41 53.900 54.823 -0.923 1
1 521 . 13 1 1 A 43 43 ARG CB C 41 32.306 32.392 -0.086 1
1 524 . 13 1 1 A 43 43 ARG N N 41 118.991 123.177 -4.186 1
1 525 . 13 1 1 A 44 44 LEU H H 42 9.010 8.980 0.030 1
1 526 . 13 1 1 A 44 44 LEU HA H 42 4.934 4.935 -0.001 1
1 536 . 13 1 1 A 44 44 LEU C C 42 178.369 177.674 0.695 1
1 537 . 13 1 1 A 44 44 LEU CA C 42 54.329 54.072 0.257 1
1 538 . 13 1 1 A 44 44 LEU CB C 42 41.497 42.394 -0.897 1
1 542 . 13 1 1 A 44 44 LEU N N 42 125.764 124.613 1.151 1
1 543 . 13 1 1 A 45 45 LYS H H 43 8.474 9.266 -0.792 1
1 544 . 13 1 1 A 45 45 LYS HA H 43 3.821 4.086 -0.265 1
1 553 . 13 1 1 A 45 45 LYS CA C 43 59.340 59.038 0.302 1
1 554 . 13 1 1 A 45 45 LYS CB C 43 33.445 32.850 0.595 1
1 558 . 13 1 1 A 45 45 LYS N N 43 120.489 122.421 -1.932 1
1 559 . 13 1 1 A 46 46 ASN H H 44 8.657 7.500 1.157 1
1 560 . 13 1 1 A 46 46 ASN HA H 44 4.433 4.459 -0.026 1
1 565 . 13 1 1 A 46 46 ASN C C 44 175.970 177.480 -1.510 1
1 566 . 13 1 1 A 46 46 ASN CA C 44 55.457 56.190 -0.733 1
1 567 . 13 1 1 A 46 46 ASN CB C 44 37.507 38.820 -1.313 1
1 569 . 13 1 1 A 47 47 ASN H H 45 7.566 7.866 -0.300 1
1 570 . 13 1 1 A 47 47 ASN HA H 45 4.654 4.809 -0.155 1
1 575 . 13 1 1 A 47 47 ASN C C 45 175.461 175.076 0.385 1
1 576 . 13 1 1 A 47 47 ASN CA C 45 52.769 54.076 -1.307 1
1 577 . 13 1 1 A 47 47 ASN CB C 45 39.203 39.175 0.028 1
1 578 . 13 1 1 A 47 47 ASN N N 45 115.277 116.076 -0.799 1
1 580 . 13 1 1 A 48 48 ASN H H 46 8.008 8.234 -0.226 1
1 581 . 13 1 1 A 48 48 ASN HA H 46 4.649 4.903 -0.254 1
1 586 . 13 1 1 A 48 48 ASN C C 46 174.812 174.092 0.720 1
1 587 . 13 1 1 A 48 48 ASN CA C 46 54.491 54.562 -0.071 1
1 588 . 13 1 1 A 48 48 ASN CB C 46 39.092 38.159 0.933 1
1 589 . 13 1 1 A 48 48 ASN N N 46 116.416 117.548 -1.132 1
1 591 . 13 1 1 A 49 49 ARG H H 47 7.918 7.773 0.145 1
1 592 . 13 1 1 A 49 49 ARG HA H 47 4.206 4.308 -0.102 1
1 599 . 13 1 1 A 49 49 ARG C C 47 175.719 175.550 0.169 1
1 600 . 13 1 1 A 49 49 ARG CA C 47 57.084 56.503 0.581 1
1 601 . 13 1 1 A 49 49 ARG CB C 47 31.785 31.105 0.680 1
1 604 . 13 1 1 A 49 49 ARG N N 47 120.017 120.236 -0.219 1
1 605 . 13 1 1 A 50 50 GLN H H 48 8.617 8.689 -0.072 1
1 606 . 13 1 1 A 50 50 GLN HA H 48 5.212 4.953 0.259 1
1 613 . 13 1 1 A 50 50 GLN C C 48 175.697 175.645 0.052 1
1 614 . 13 1 1 A 50 50 GLN CA C 48 55.454 55.237 0.217 1
1 615 . 13 1 1 A 50 50 GLN CB C 48 30.953 30.369 0.584 1
1 617 . 13 1 1 A 50 50 GLN N N 48 123.029 122.849 0.180 1
1 619 . 13 1 1 A 51 51 VAL H H 49 9.009 9.386 -0.377 1
1 620 . 13 1 1 A 51 51 VAL HA H 49 4.747 4.964 -0.217 1
1 628 . 13 1 1 A 51 51 VAL C C 49 174.561 174.360 0.201 1
1 629 . 13 1 1 A 51 51 VAL CA C 49 59.266 59.374 -0.108 1
1 630 . 13 1 1 A 51 51 VAL CB C 49 35.845 35.169 0.676 1
1 633 . 13 1 1 A 51 51 VAL N N 49 119.358 119.762 -0.404 1
1 634 . 13 1 1 A 52 52 CYS H H 50 8.850 8.534 0.316 1
1 635 . 13 1 1 A 52 52 CYS HA H 50 5.605 5.635 -0.030 1
1 638 . 13 1 1 A 52 52 CYS C C 50 174.469 172.840 1.629 1
1 639 . 13 1 1 A 52 52 CYS CA C 50 56.377 54.633 1.744 1
1 640 . 13 1 1 A 52 52 CYS CB C 50 44.694 43.511 1.183 1
1 641 . 13 1 1 A 52 52 CYS N N 50 120.834 119.741 1.093 1
1 642 . 13 1 1 A 53 53 ILE H H 51 8.656 9.407 -0.751 1
1 643 . 13 1 1 A 53 53 ILE HA H 51 4.461 4.728 -0.267 1
1 653 . 13 1 1 A 53 53 ILE C C 51 174.137 174.795 -0.658 1
1 654 . 13 1 1 A 53 53 ILE CA C 51 59.671 60.063 -0.392 1
1 655 . 13 1 1 A 53 53 ILE CB C 51 39.603 40.934 -1.331 1
1 659 . 13 1 1 A 53 53 ILE N N 51 122.740 125.304 -2.564 1
1 660 . 13 1 1 A 54 54 ASP H H 52 7.746 7.971 -0.225 1
1 661 . 13 1 1 A 54 54 ASP HA H 52 3.650 4.362 -0.712 1
1 664 . 13 1 1 A 54 54 ASP CA C 52 51.578 51.716 -0.138 1
1 665 . 13 1 1 A 54 54 ASP CB C 52 42.384 42.172 0.212 1
1 666 . 13 1 1 A 54 54 ASP N N 52 126.398 126.753 -0.355 1
1 667 . 13 1 1 A 55 55 PRO HA H 53 3.990 4.275 -0.285 1
1 674 . 13 1 1 A 55 55 PRO C C 53 176.274 177.103 -0.829 1
1 675 . 13 1 1 A 55 55 PRO CA C 53 63.546 64.193 -0.647 1
1 676 . 13 1 1 A 55 55 PRO CB C 53 32.272 31.675 0.597 1
1 679 . 13 1 1 A 56 56 LYS H H 54 8.054 8.311 -0.257 1
1 680 . 13 1 1 A 56 56 LYS HA H 54 3.954 4.257 -0.303 1
1 689 . 13 1 1 A 56 56 LYS C C 54 177.867 176.558 1.309 1
1 690 . 13 1 1 A 56 56 LYS CA C 54 56.189 56.112 0.077 1
1 691 . 13 1 1 A 56 56 LYS CB C 54 31.680 31.869 -0.189 1
1 695 . 13 1 1 A 56 56 LYS N N 54 115.161 115.370 -0.209 1
1 696 . 13 1 1 A 57 57 LEU H H 55 7.172 6.803 0.369 1
1 697 . 13 1 1 A 57 57 LEU HA H 55 4.021 4.134 -0.113 1
1 707 . 13 1 1 A 57 57 LEU C C 55 179.221 177.880 1.341 1
1 708 . 13 1 1 A 57 57 LEU CA C 55 55.781 55.247 0.534 1
1 709 . 13 1 1 A 57 57 LEU CB C 55 41.739 41.630 0.109 1
1 713 . 13 1 1 A 57 57 LEU N N 55 120.921 122.856 -1.935 1
1 714 . 13 1 1 A 58 58 LYS H H 56 8.753 8.728 0.025 1
1 715 . 13 1 1 A 58 58 LYS HA H 56 3.898 3.860 0.038 1
1 724 . 13 1 1 A 58 58 LYS C C 56 179.161 178.583 0.578 1
1 725 . 13 1 1 A 58 58 LYS CA C 56 60.318 59.824 0.494 1
1 726 . 13 1 1 A 58 58 LYS CB C 56 32.100 32.235 -0.135 1
1 730 . 13 1 1 A 58 58 LYS N N 56 125.449 121.634 3.815 1
1 731 . 13 1 1 A 59 59 TRP H H 57 7.889 8.275 -0.386 1
1 732 . 13 1 1 A 59 59 TRP HA H 57 4.612 4.537 0.075 1
1 741 . 13 1 1 A 59 59 TRP C C 57 178.642 179.424 -0.782 1
1 742 . 13 1 1 A 59 59 TRP CA C 57 58.388 59.683 -1.295 1
1 743 . 13 1 1 A 59 59 TRP CB C 57 27.954 27.995 -0.041 1
1 749 . 13 1 1 A 59 59 TRP N N 57 113.858 118.714 -4.856 1
1 751 . 13 1 1 A 60 60 ILE H H 58 6.296 7.493 -1.197 1
1 752 . 13 1 1 A 60 60 ILE HA H 58 3.627 3.377 0.250 1
1 762 . 13 1 1 A 60 60 ILE C C 58 177.104 177.640 -0.536 1
1 763 . 13 1 1 A 60 60 ILE CA C 58 61.605 64.383 -2.778 1
1 764 . 13 1 1 A 60 60 ILE CB C 58 36.043 36.173 -0.130 1
1 768 . 13 1 1 A 60 60 ILE N N 58 123.265 122.213 1.052 1
1 769 . 13 1 1 A 61 61 GLN H H 59 7.650 8.506 -0.856 1
1 770 . 13 1 1 A 61 61 GLN HA H 59 3.811 3.883 -0.072 1
1 777 . 13 1 1 A 61 61 GLN C C 59 178.933 179.225 -0.292 1
1 778 . 13 1 1 A 61 61 GLN CA C 59 59.663 59.263 0.400 1
1 779 . 13 1 1 A 61 61 GLN CB C 59 27.972 28.388 -0.416 1
1 781 . 13 1 1 A 61 61 GLN N N 59 120.850 118.948 1.902 1
1 783 . 13 1 1 A 62 62 GLU H H 60 8.057 8.081 -0.024 1
1 784 . 13 1 1 A 62 62 GLU HA H 60 4.081 4.083 -0.002 1
1 789 . 13 1 1 A 62 62 GLU C C 60 178.539 178.598 -0.059 1
1 790 . 13 1 1 A 62 62 GLU CA C 60 59.152 59.034 0.118 1
1 791 . 13 1 1 A 62 62 GLU CB C 60 29.896 29.477 0.419 1
1 793 . 13 1 1 A 62 62 GLU N N 60 117.976 120.616 -2.640 1
1 794 . 13 1 1 A 63 63 TYR H H 61 8.004 8.180 -0.176 1
1 795 . 13 1 1 A 63 63 TYR HA H 61 4.216 4.262 -0.046 1
1 802 . 13 1 1 A 63 63 TYR C C 61 178.157 176.921 1.236 1
1 803 . 13 1 1 A 63 63 TYR CA C 61 61.281 61.536 -0.255 1
1 804 . 13 1 1 A 63 63 TYR CB C 61 38.956 38.745 0.211 1
1 807 . 13 1 1 A 63 63 TYR N N 61 120.743 122.252 -1.509 1
1 808 . 13 1 1 A 64 64 LEU H H 62 8.460 8.614 -0.154 1
1 809 . 13 1 1 A 64 64 LEU HA H 62 3.850 3.568 0.282 1
1 819 . 13 1 1 A 64 64 LEU C C 62 178.678 178.842 -0.164 1
1 820 . 13 1 1 A 64 64 LEU CA C 62 57.619 57.384 0.235 1
1 821 . 13 1 1 A 64 64 LEU CB C 62 41.868 41.157 0.711 1
1 825 . 13 1 1 A 64 64 LEU N N 62 119.052 118.999 0.053 1
1 826 . 13 1 1 A 65 65 GLU H H 63 7.850 8.648 -0.798 1
1 827 . 13 1 1 A 65 65 GLU HA H 63 3.974 3.919 0.055 1
1 832 . 13 1 1 A 65 65 GLU C C 63 178.447 178.925 -0.478 1
1 833 . 13 1 1 A 65 65 GLU CA C 63 59.143 59.810 -0.667 1
1 834 . 13 1 1 A 65 65 GLU CB C 63 29.721 29.324 0.397 1
1 836 . 13 1 1 A 65 65 GLU N N 63 118.310 120.532 -2.222 1
1 837 . 13 1 1 A 66 66 LYS H H 64 7.648 8.008 -0.360 1
1 838 . 13 1 1 A 66 66 LYS HA H 64 4.156 3.974 0.182 1
1 847 . 13 1 1 A 66 66 LYS C C 64 177.941 178.671 -0.730 1
1 848 . 13 1 1 A 66 66 LYS CA C 64 57.820 59.379 -1.559 1
1 849 . 13 1 1 A 66 66 LYS CB C 64 32.620 32.271 0.349 1
1 853 . 13 1 1 A 66 66 LYS N N 64 117.638 121.052 -3.414 1
1 854 . 13 1 1 A 67 67 ALA H H 65 8.004 8.153 -0.149 1
1 855 . 13 1 1 A 67 67 ALA HA H 65 4.068 3.937 0.131 1
1 859 . 13 1 1 A 67 67 ALA C C 65 178.624 180.279 -1.655 1
1 860 . 13 1 1 A 67 67 ALA CA C 65 53.790 54.653 -0.863 1
1 861 . 13 1 1 A 67 67 ALA CB C 65 19.082 18.336 0.746 1
1 862 . 13 1 1 A 67 67 ALA N N 65 121.228 120.323 0.905 1
1 863 . 13 1 1 A 68 68 LEU H H 66 7.791 7.983 -0.192 1
1 864 . 13 1 1 A 68 68 LEU HA H 66 4.274 3.991 0.283 1
1 874 . 13 1 1 A 68 68 LEU CA C 66 55.593 57.392 -1.799 1
1 875 . 13 1 1 A 68 68 LEU CB C 66 42.329 41.626 0.703 1
1 878 . 13 1 1 A 68 68 LEU N N 66 116.882 119.854 -2.972 1
1 879 . 13 1 1 A 69 69 ASN H H 67 7.914 8.190 -0.276 1
1 880 . 13 1 1 A 69 69 ASN HA H 67 4.803 4.712 0.091 1
1 885 . 13 1 1 A 69 69 ASN C C 67 174.039 176.036 -1.997 1
1 886 . 13 1 1 A 69 69 ASN CA C 67 53.434 54.499 -1.065 1
1 887 . 13 1 1 A 69 69 ASN CB C 67 39.601 38.894 0.707 1
1 888 . 13 1 1 A 69 69 ASN N N 67 118.309 117.564 0.745 1
1 18 . 14 1 1 A 4 4 PRO HA H 2 4.416 4.736 -0.320 1
1 25 . 14 1 1 A 4 4 PRO C C 2 176.996 177.298 -0.302 1
1 26 . 14 1 1 A 4 4 PRO CA C 2 63.494 62.382 1.112 1
1 27 . 14 1 1 A 4 4 PRO CB C 2 32.161 31.926 0.235 1
1 30 . 14 1 1 A 5 5 VAL H H 3 8.227 8.860 -0.633 1
1 31 . 14 1 1 A 5 5 VAL HA H 3 4.058 4.101 -0.043 1
1 39 . 14 1 1 A 5 5 VAL C C 3 176.376 175.529 0.847 1
1 40 . 14 1 1 A 5 5 VAL CA C 3 62.495 63.146 -0.651 1
1 41 . 14 1 1 A 5 5 VAL CB C 3 32.808 32.800 0.008 1
1 43 . 14 1 1 A 5 5 VAL N N 3 121.008 125.026 -4.018 1
1 44 . 14 1 1 A 6 6 SER H H 4 8.270 7.981 0.289 1
1 45 . 14 1 1 A 6 6 SER HA H 4 4.409 4.157 0.252 1
1 48 . 14 1 1 A 6 6 SER C C 4 174.577 173.083 1.494 1
1 49 . 14 1 1 A 6 6 SER CA C 4 58.148 59.246 -1.098 1
1 50 . 14 1 1 A 6 6 SER CB C 4 63.870 61.489 2.381 1
1 51 . 14 1 1 A 6 6 SER N N 4 119.573 115.988 3.585 1
1 52 . 14 1 1 A 7 7 LEU H H 5 8.273 7.790 0.483 1
1 53 . 14 1 1 A 7 7 LEU HA H 5 4.320 4.770 -0.450 1
1 63 . 14 1 1 A 7 7 LEU C C 5 177.341 176.231 1.110 1
1 64 . 14 1 1 A 7 7 LEU CA C 5 55.388 53.048 2.340 1
1 65 . 14 1 1 A 7 7 LEU CB C 5 42.650 45.419 -2.769 1
1 68 . 14 1 1 A 7 7 LEU N N 5 125.039 121.352 3.687 1
1 69 . 14 1 1 A 8 8 SER H H 6 8.127 8.696 -0.569 1
1 70 . 14 1 1 A 8 8 SER HA H 6 4.335 4.192 0.143 1
1 73 . 14 1 1 A 8 8 SER C C 6 174.189 172.895 1.294 1
1 74 . 14 1 1 A 8 8 SER CA C 6 58.433 60.633 -2.200 1
1 75 . 14 1 1 A 8 8 SER CB C 6 63.870 61.950 1.920 1
1 76 . 14 1 1 A 8 8 SER N N 6 116.154 113.852 2.302 1
1 77 . 14 1 1 A 9 9 TYR H H 7 7.971 8.576 -0.605 1
1 78 . 14 1 1 A 9 9 TYR HA H 7 4.502 4.924 -0.422 1
1 85 . 14 1 1 A 9 9 TYR C C 7 175.520 175.857 -0.337 1
1 86 . 14 1 1 A 9 9 TYR CA C 7 58.008 57.135 0.873 1
1 87 . 14 1 1 A 9 9 TYR CB C 7 38.956 38.322 0.634 1
1 90 . 14 1 1 A 9 9 TYR N N 7 122.213 122.074 0.139 1
1 91 . 14 1 1 A 10 10 ARG H H 8 8.118 8.940 -0.822 1
1 92 . 14 1 1 A 10 10 ARG HA H 8 4.253 5.014 -0.761 1
1 99 . 14 1 1 A 10 10 ARG C C 8 175.918 174.320 1.598 1
1 100 . 14 1 1 A 10 10 ARG CA C 8 56.104 53.798 2.306 1
1 101 . 14 1 1 A 10 10 ARG CB C 8 30.875 33.897 -3.022 1
1 104 . 14 1 1 A 10 10 ARG N N 8 122.182 120.726 1.456 1
1 105 . 14 1 1 A 11 11 CYS H H 9 8.097 8.706 -0.609 1
1 106 . 14 1 1 A 11 11 CYS HA H 9 4.909 5.070 -0.161 1
1 109 . 14 1 1 A 11 11 CYS C C 9 173.615 173.628 -0.013 1
1 110 . 14 1 1 A 11 11 CYS CA C 9 53.127 54.063 -0.936 1
1 111 . 14 1 1 A 11 11 CYS CB C 9 40.218 43.729 -3.511 1
1 112 . 14 1 1 A 11 11 CYS N N 9 121.280 118.537 2.743 1
1 113 . 14 1 1 A 12 12 PRO HA H 10 4.275 4.277 -0.002 1
1 120 . 14 1 1 A 12 12 PRO C C 10 177.703 176.563 1.140 1
1 121 . 14 1 1 A 12 12 PRO CA C 10 64.859 64.799 0.060 1
1 122 . 14 1 1 A 12 12 PRO CB C 10 32.508 31.533 0.975 1
1 125 . 14 1 1 A 13 13 CYS H H 11 8.248 7.355 0.893 1
1 126 . 14 1 1 A 13 13 CYS HA H 11 4.827 4.456 0.371 1
1 129 . 14 1 1 A 13 13 CYS C C 11 174.202 172.743 1.459 1
1 130 . 14 1 1 A 13 13 CYS CA C 11 53.429 54.988 -1.559 1
1 131 . 14 1 1 A 13 13 CYS CB C 11 39.603 44.093 -4.490 1
1 132 . 14 1 1 A 13 13 CYS N N 11 114.161 115.678 -1.517 1
1 133 . 14 1 1 A 14 14 ARG HA H 12 3.984 4.263 -0.279 1
1 140 . 14 1 1 A 14 14 ARG C C 12 175.202 175.856 -0.654 1
1 141 . 14 1 1 A 14 14 ARG CA C 12 57.293 56.792 0.501 1
1 142 . 14 1 1 A 14 14 ARG CB C 12 31.098 30.973 0.125 1
1 145 . 14 1 1 A 15 15 PHE H H 13 7.524 7.263 0.261 1
1 146 . 14 1 1 A 15 15 PHE HA H 13 4.488 4.996 -0.508 1
1 154 . 14 1 1 A 15 15 PHE C C 13 174.226 174.137 0.089 1
1 155 . 14 1 1 A 15 15 PHE CA C 13 55.971 55.045 0.926 1
1 156 . 14 1 1 A 15 15 PHE CB C 13 41.059 41.949 -0.890 1
1 160 . 14 1 1 A 15 15 PHE N N 13 116.175 115.678 0.497 1
1 161 . 14 1 1 A 16 16 PHE H H 14 8.309 9.192 -0.883 1
1 162 . 14 1 1 A 16 16 PHE HA H 14 4.794 5.237 -0.443 1
1 170 . 14 1 1 A 16 16 PHE C C 14 175.247 174.478 0.769 1
1 171 . 14 1 1 A 16 16 PHE CA C 14 55.559 56.107 -0.548 1
1 172 . 14 1 1 A 16 16 PHE CB C 14 41.220 43.621 -2.401 1
1 176 . 14 1 1 A 16 16 PHE N N 14 119.656 118.745 0.911 1
1 177 . 14 1 1 A 17 17 GLU H H 15 8.904 9.422 -0.518 1
1 178 . 14 1 1 A 17 17 GLU HA H 15 4.525 4.692 -0.167 1
1 183 . 14 1 1 A 17 17 GLU C C 15 176.747 177.444 -0.697 1
1 184 . 14 1 1 A 17 17 GLU CA C 15 56.012 55.811 0.201 1
1 185 . 14 1 1 A 17 17 GLU CB C 15 30.894 30.527 0.367 1
1 187 . 14 1 1 A 17 17 GLU N N 15 122.929 124.066 -1.137 1
1 188 . 14 1 1 A 18 18 SER H H 16 8.752 9.121 -0.369 1
1 189 . 14 1 1 A 18 18 SER HA H 16 4.708 4.627 0.081 1
1 192 . 14 1 1 A 18 18 SER C C 16 174.278 174.161 0.117 1
1 193 . 14 1 1 A 18 18 SER CA C 16 59.799 58.656 1.143 1
1 194 . 14 1 1 A 18 18 SER CB C 16 64.023 63.478 0.545 1
1 195 . 14 1 1 A 18 18 SER N N 16 119.679 120.861 -1.182 1
1 196 . 14 1 1 A 19 19 HIS H H 17 9.044 7.652 1.392 1
1 197 . 14 1 1 A 19 19 HIS HA H 17 4.873 5.024 -0.151 1
1 202 . 14 1 1 A 19 19 HIS C C 17 174.580 173.209 1.371 1
1 203 . 14 1 1 A 19 19 HIS CA C 17 56.240 55.533 0.707 1
1 204 . 14 1 1 A 19 19 HIS CB C 17 28.272 31.290 -3.018 1
1 207 . 14 1 1 A 19 19 HIS N N 17 120.269 120.676 -0.407 1
1 208 . 14 1 1 A 20 20 VAL H H 18 7.212 9.067 -1.855 1
1 209 . 14 1 1 A 20 20 VAL HA H 18 4.226 4.779 -0.553 1
1 217 . 14 1 1 A 20 20 VAL C C 18 174.138 174.502 -0.364 1
1 218 . 14 1 1 A 20 20 VAL CA C 18 61.605 60.722 0.883 1
1 219 . 14 1 1 A 20 20 VAL CB C 18 34.102 35.037 -0.935 1
1 221 . 14 1 1 A 20 20 VAL N N 18 119.528 127.544 -8.016 1
1 222 . 14 1 1 A 21 21 ALA H H 19 8.553 8.493 0.060 1
1 223 . 14 1 1 A 21 21 ALA HA H 19 4.340 4.392 -0.052 1
1 227 . 14 1 1 A 21 21 ALA C C 19 177.514 177.663 -0.149 1
1 228 . 14 1 1 A 21 21 ALA CA C 19 50.666 50.528 0.138 1
1 229 . 14 1 1 A 21 21 ALA CB C 19 19.660 20.099 -0.439 1
1 230 . 14 1 1 A 21 21 ALA N N 19 131.180 128.977 2.203 1
1 231 . 14 1 1 A 22 22 ARG H H 20 7.726 8.054 -0.328 1
1 232 . 14 1 1 A 22 22 ARG HA H 20 2.590 3.448 -0.858 1
1 239 . 14 1 1 A 22 22 ARG C C 20 178.531 177.121 1.410 1
1 240 . 14 1 1 A 22 22 ARG CA C 20 59.155 57.889 1.266 1
1 241 . 14 1 1 A 22 22 ARG CB C 20 29.167 29.341 -0.174 1
1 244 . 14 1 1 A 22 22 ARG N N 20 124.436 124.114 0.322 1
1 245 . 14 1 1 A 23 23 ALA H H 21 8.150 7.530 0.620 1
1 246 . 14 1 1 A 23 23 ALA HA H 21 4.019 4.114 -0.095 1
1 250 . 14 1 1 A 23 23 ALA C C 21 177.743 178.641 -0.898 1
1 251 . 14 1 1 A 23 23 ALA CA C 21 53.809 53.329 0.480 1
1 252 . 14 1 1 A 23 23 ALA CB C 21 18.688 18.437 0.251 1
1 253 . 14 1 1 A 23 23 ALA N N 21 117.354 121.418 -4.064 1
1 254 . 14 1 1 A 24 24 ASN H H 22 7.706 7.933 -0.227 1
1 255 . 14 1 1 A 24 24 ASN HA H 22 4.906 4.734 0.172 1
1 260 . 14 1 1 A 24 24 ASN C C 22 174.889 175.023 -0.134 1
1 261 . 14 1 1 A 24 24 ASN CA C 22 52.590 54.275 -1.685 1
1 262 . 14 1 1 A 24 24 ASN CB C 22 40.335 39.592 0.743 1
1 263 . 14 1 1 A 24 24 ASN N N 22 112.797 115.549 -2.752 1
1 265 . 14 1 1 A 25 25 VAL H H 23 7.457 7.072 0.385 1
1 266 . 14 1 1 A 25 25 VAL HA H 23 4.326 4.275 0.051 1
1 274 . 14 1 1 A 25 25 VAL C C 23 174.594 175.280 -0.686 1
1 275 . 14 1 1 A 25 25 VAL CA C 23 62.406 61.355 1.051 1
1 276 . 14 1 1 A 25 25 VAL CB C 23 33.445 33.017 0.428 1
1 278 . 14 1 1 A 25 25 VAL N N 23 118.772 116.890 1.882 1
1 279 . 14 1 1 A 26 26 LYS H H 24 9.261 9.519 -0.258 1
1 280 . 14 1 1 A 26 26 LYS HA H 24 4.406 4.602 -0.196 1
1 289 . 14 1 1 A 26 26 LYS C C 24 175.247 176.417 -1.170 1
1 290 . 14 1 1 A 26 26 LYS CA C 24 56.483 56.887 -0.404 1
1 291 . 14 1 1 A 26 26 LYS CB C 24 35.023 34.006 1.017 1
1 295 . 14 1 1 A 26 26 LYS N N 24 125.197 121.460 3.737 1
1 296 . 14 1 1 A 27 27 HIS H H 25 7.811 7.073 0.738 1
1 297 . 14 1 1 A 27 27 HIS HA H 25 4.627 4.941 -0.314 1
1 302 . 14 1 1 A 27 27 HIS C C 25 173.157 172.802 0.355 1
1 303 . 14 1 1 A 27 27 HIS CA C 25 55.463 55.909 -0.446 1
1 304 . 14 1 1 A 27 27 HIS CB C 25 31.832 32.790 -0.958 1
1 307 . 14 1 1 A 27 27 HIS N N 25 115.509 118.076 -2.567 1
1 308 . 14 1 1 A 28 28 LEU H H 26 8.311 9.002 -0.691 1
1 309 . 14 1 1 A 28 28 LEU HA H 26 4.991 4.885 0.106 1
1 319 . 14 1 1 A 28 28 LEU C C 26 175.514 175.373 0.141 1
1 320 . 14 1 1 A 28 28 LEU CA C 26 54.662 53.174 1.488 1
1 321 . 14 1 1 A 28 28 LEU CB C 26 45.594 43.382 2.212 1
1 325 . 14 1 1 A 29 29 LYS H H 27 9.003 9.503 -0.500 1
1 326 . 14 1 1 A 29 29 LYS HA H 27 4.578 4.907 -0.329 1
1 335 . 14 1 1 A 29 29 LYS C C 27 173.758 174.872 -1.114 1
1 336 . 14 1 1 A 29 29 LYS CA C 27 54.945 54.618 0.327 1
1 337 . 14 1 1 A 29 29 LYS CB C 27 36.358 35.660 0.698 1
1 341 . 14 1 1 A 29 29 LYS N N 27 122.740 124.968 -2.228 1
1 342 . 14 1 1 A 30 30 ILE H H 28 8.526 8.958 -0.432 1
1 343 . 14 1 1 A 30 30 ILE HA H 28 4.623 4.735 -0.112 1
1 353 . 14 1 1 A 30 30 ILE C C 28 175.988 174.588 1.400 1
1 354 . 14 1 1 A 30 30 ILE CA C 28 60.122 60.659 -0.537 1
1 355 . 14 1 1 A 30 30 ILE CB C 28 38.795 39.241 -0.446 1
1 359 . 14 1 1 A 30 30 ILE N N 28 123.517 127.958 -4.441 1
1 360 . 14 1 1 A 31 31 LEU H H 29 8.910 9.796 -0.886 1
1 361 . 14 1 1 A 31 31 LEU HA H 29 4.553 5.096 -0.543 1
1 371 . 14 1 1 A 31 31 LEU C C 29 176.005 175.336 0.669 1
1 372 . 14 1 1 A 31 31 LEU CA C 29 53.975 53.466 0.509 1
1 373 . 14 1 1 A 31 31 LEU CB C 29 43.485 44.735 -1.250 1
1 376 . 14 1 1 A 31 31 LEU N N 29 128.881 130.114 -1.233 1
1 377 . 14 1 1 A 32 32 ASN H H 30 8.710 8.875 -0.165 1
1 378 . 14 1 1 A 32 32 ASN HA H 30 4.954 5.518 -0.564 1
1 383 . 14 1 1 A 32 32 ASN C C 30 174.462 174.706 -0.244 1
1 384 . 14 1 1 A 32 32 ASN CA C 30 52.413 51.962 0.451 1
1 385 . 14 1 1 A 32 32 ASN CB C 30 39.232 39.770 -0.538 1
1 386 . 14 1 1 A 32 32 ASN N N 30 124.019 124.791 -0.772 1
1 388 . 14 1 1 A 33 33 THR H H 31 8.094 8.769 -0.675 1
1 389 . 14 1 1 A 33 33 THR HA H 31 4.628 4.730 -0.102 1
1 394 . 14 1 1 A 33 33 THR CA C 31 59.475 59.113 0.362 1
1 395 . 14 1 1 A 33 33 THR CB C 31 70.459 71.977 -1.518 1
1 397 . 14 1 1 A 33 33 THR N N 31 118.961 117.365 1.596 1
1 398 . 14 1 1 A 34 34 PRO HA H 32 4.206 4.237 -0.031 1
1 405 . 14 1 1 A 34 34 PRO C C 32 176.814 177.738 -0.924 1
1 406 . 14 1 1 A 34 34 PRO CA C 32 64.445 65.781 -1.336 1
1 407 . 14 1 1 A 34 34 PRO CB C 32 32.170 31.700 0.470 1
1 410 . 14 1 1 A 35 35 ASN H H 33 8.504 8.434 0.070 1
1 411 . 14 1 1 A 35 35 ASN HA H 33 4.342 4.750 -0.408 1
1 416 . 14 1 1 A 35 35 ASN C C 33 174.344 176.483 -2.139 1
1 417 . 14 1 1 A 35 35 ASN CA C 33 54.945 53.642 1.303 1
1 418 . 14 1 1 A 35 35 ASN CB C 33 38.122 39.678 -1.556 1
1 419 . 14 1 1 A 35 35 ASN N N 33 113.042 114.091 -1.049 1
1 421 . 14 1 1 A 36 36 CYS H H 34 7.526 7.919 -0.393 1
1 422 . 14 1 1 A 36 36 CYS HA H 34 4.878 4.654 0.224 1
1 425 . 14 1 1 A 36 36 CYS C C 34 173.880 174.236 -0.356 1
1 426 . 14 1 1 A 36 36 CYS CA C 34 54.622 56.098 -1.476 1
1 427 . 14 1 1 A 36 36 CYS CB C 34 44.780 42.409 2.371 1
1 428 . 14 1 1 A 36 36 CYS N N 34 116.301 114.653 1.648 1
1 429 . 14 1 1 A 37 37 ALA H H 35 8.395 7.815 0.580 1
1 430 . 14 1 1 A 37 37 ALA HA H 35 4.205 4.055 0.150 1
1 434 . 14 1 1 A 37 37 ALA C C 35 176.677 177.076 -0.399 1
1 435 . 14 1 1 A 37 37 ALA CA C 35 52.413 54.344 -1.931 1
1 436 . 14 1 1 A 37 37 ALA CB C 35 18.968 17.850 1.118 1
1 437 . 14 1 1 A 37 37 ALA N N 35 125.001 122.990 2.011 1
1 438 . 14 1 1 A 38 38 LEU H H 36 8.004 8.371 -0.367 1
1 439 . 14 1 1 A 38 38 LEU HA H 36 4.206 4.747 -0.541 1
1 449 . 14 1 1 A 38 38 LEU C C 36 176.194 176.249 -0.055 1
1 450 . 14 1 1 A 38 38 LEU CA C 36 56.563 53.890 2.673 1
1 451 . 14 1 1 A 38 38 LEU CB C 36 42.465 42.309 0.156 1
1 455 . 14 1 1 A 38 38 LEU N N 36 121.548 118.925 2.623 1
1 456 . 14 1 1 A 39 39 GLN H H 37 8.471 9.254 -0.783 1
1 457 . 14 1 1 A 39 39 GLN HA H 37 4.621 4.748 -0.127 1
1 464 . 14 1 1 A 39 39 GLN C C 37 173.581 174.689 -1.108 1
1 465 . 14 1 1 A 39 39 GLN CA C 37 54.172 55.143 -0.971 1
1 466 . 14 1 1 A 39 39 GLN CB C 37 32.461 30.291 2.170 1
1 468 . 14 1 1 A 39 39 GLN N N 37 123.271 124.623 -1.352 1
1 470 . 14 1 1 A 40 40 ILE H H 38 9.429 8.546 0.883 1
1 471 . 14 1 1 A 40 40 ILE HA H 38 4.718 4.817 -0.099 1
1 481 . 14 1 1 A 40 40 ILE C C 38 174.547 175.502 -0.955 1
1 482 . 14 1 1 A 40 40 ILE CA C 38 60.122 60.118 0.004 1
1 483 . 14 1 1 A 40 40 ILE CB C 38 38.899 39.452 -0.553 1
1 487 . 14 1 1 A 40 40 ILE N N 38 124.702 124.251 0.451 1
1 488 . 14 1 1 A 41 41 VAL H H 39 8.872 9.081 -0.209 1
1 489 . 14 1 1 A 41 41 VAL HA H 39 5.027 5.056 -0.029 1
1 497 . 14 1 1 A 41 41 VAL C C 39 174.772 175.035 -0.263 1
1 498 . 14 1 1 A 41 41 VAL CA C 39 60.111 61.137 -1.026 1
1 499 . 14 1 1 A 41 41 VAL CB C 39 34.767 34.047 0.720 1
1 501 . 14 1 1 A 41 41 VAL N N 39 124.441 128.059 -3.618 1
1 502 . 14 1 1 A 42 42 ALA H H 40 9.305 9.185 0.120 1
1 503 . 14 1 1 A 42 42 ALA HA H 40 5.289 5.414 -0.125 1
1 507 . 14 1 1 A 42 42 ALA C C 40 175.955 176.075 -0.120 1
1 508 . 14 1 1 A 42 42 ALA CA C 40 50.093 50.814 -0.721 1
1 509 . 14 1 1 A 42 42 ALA CB C 40 24.063 22.954 1.109 1
1 510 . 14 1 1 A 42 42 ALA N N 40 126.567 128.402 -1.835 1
1 511 . 14 1 1 A 43 43 ARG H H 41 8.393 8.628 -0.235 1
1 512 . 14 1 1 A 43 43 ARG HA H 41 5.119 5.244 -0.125 1
1 519 . 14 1 1 A 43 43 ARG C C 41 176.184 175.773 0.411 1
1 520 . 14 1 1 A 43 43 ARG CA C 41 53.900 54.773 -0.873 1
1 521 . 14 1 1 A 43 43 ARG CB C 41 32.306 32.462 -0.156 1
1 524 . 14 1 1 A 43 43 ARG N N 41 118.991 122.810 -3.819 1
1 525 . 14 1 1 A 44 44 LEU H H 42 9.010 8.937 0.073 1
1 526 . 14 1 1 A 44 44 LEU HA H 42 4.934 4.872 0.062 1
1 536 . 14 1 1 A 44 44 LEU C C 42 178.369 177.380 0.989 1
1 537 . 14 1 1 A 44 44 LEU CA C 42 54.329 53.992 0.337 1
1 538 . 14 1 1 A 44 44 LEU CB C 42 41.497 42.523 -1.026 1
1 542 . 14 1 1 A 44 44 LEU N N 42 125.764 124.570 1.194 1
1 543 . 14 1 1 A 45 45 LYS H H 43 8.474 9.732 -1.258 1
1 544 . 14 1 1 A 45 45 LYS HA H 43 3.821 4.096 -0.275 1
1 553 . 14 1 1 A 45 45 LYS CA C 43 59.340 58.613 0.727 1
1 554 . 14 1 1 A 45 45 LYS CB C 43 33.445 32.807 0.638 1
1 558 . 14 1 1 A 45 45 LYS N N 43 120.489 122.212 -1.723 1
1 559 . 14 1 1 A 46 46 ASN H H 44 8.657 8.013 0.644 1
1 560 . 14 1 1 A 46 46 ASN HA H 44 4.433 4.459 -0.026 1
1 565 . 14 1 1 A 46 46 ASN C C 44 175.970 177.479 -1.509 1
1 566 . 14 1 1 A 46 46 ASN CA C 44 55.457 56.211 -0.754 1
1 567 . 14 1 1 A 46 46 ASN CB C 44 37.507 38.809 -1.302 1
1 569 . 14 1 1 A 47 47 ASN H H 45 7.566 7.864 -0.298 1
1 570 . 14 1 1 A 47 47 ASN HA H 45 4.654 4.809 -0.155 1
1 575 . 14 1 1 A 47 47 ASN C C 45 175.461 175.152 0.309 1
1 576 . 14 1 1 A 47 47 ASN CA C 45 52.769 54.289 -1.520 1
1 577 . 14 1 1 A 47 47 ASN CB C 45 39.203 39.162 0.041 1
1 578 . 14 1 1 A 47 47 ASN N N 45 115.277 116.472 -1.195 1
1 580 . 14 1 1 A 48 48 ASN H H 46 8.008 8.225 -0.217 1
1 581 . 14 1 1 A 48 48 ASN HA H 46 4.649 4.890 -0.241 1
1 586 . 14 1 1 A 48 48 ASN C C 46 174.812 174.136 0.676 1
1 587 . 14 1 1 A 48 48 ASN CA C 46 54.491 54.575 -0.084 1
1 588 . 14 1 1 A 48 48 ASN CB C 46 39.092 38.194 0.898 1
1 589 . 14 1 1 A 48 48 ASN N N 46 116.416 117.640 -1.224 1
1 591 . 14 1 1 A 49 49 ARG H H 47 7.918 7.792 0.126 1
1 592 . 14 1 1 A 49 49 ARG HA H 47 4.206 4.301 -0.095 1
1 599 . 14 1 1 A 49 49 ARG C C 47 175.719 175.273 0.446 1
1 600 . 14 1 1 A 49 49 ARG CA C 47 57.084 56.761 0.323 1
1 601 . 14 1 1 A 49 49 ARG CB C 47 31.785 31.400 0.385 1
1 604 . 14 1 1 A 49 49 ARG N N 47 120.017 120.760 -0.743 1
1 605 . 14 1 1 A 50 50 GLN H H 48 8.617 8.683 -0.066 1
1 606 . 14 1 1 A 50 50 GLN HA H 48 5.212 5.150 0.062 1
1 613 . 14 1 1 A 50 50 GLN C C 48 175.697 175.533 0.164 1
1 614 . 14 1 1 A 50 50 GLN CA C 48 55.454 54.750 0.704 1
1 615 . 14 1 1 A 50 50 GLN CB C 48 30.953 30.363 0.590 1
1 617 . 14 1 1 A 50 50 GLN N N 48 123.029 122.862 0.167 1
1 619 . 14 1 1 A 51 51 VAL H H 49 9.009 9.409 -0.400 1
1 620 . 14 1 1 A 51 51 VAL HA H 49 4.747 5.071 -0.324 1
1 628 . 14 1 1 A 51 51 VAL C C 49 174.561 174.488 0.073 1
1 629 . 14 1 1 A 51 51 VAL CA C 49 59.266 59.029 0.237 1
1 630 . 14 1 1 A 51 51 VAL CB C 49 35.845 35.380 0.465 1
1 633 . 14 1 1 A 51 51 VAL N N 49 119.358 119.734 -0.376 1
1 634 . 14 1 1 A 52 52 CYS H H 50 8.850 8.729 0.121 1
1 635 . 14 1 1 A 52 52 CYS HA H 50 5.605 5.707 -0.102 1
1 638 . 14 1 1 A 52 52 CYS C C 50 174.469 172.664 1.805 1
1 639 . 14 1 1 A 52 52 CYS CA C 50 56.377 54.422 1.955 1
1 640 . 14 1 1 A 52 52 CYS CB C 50 44.694 43.891 0.803 1
1 641 . 14 1 1 A 52 52 CYS N N 50 120.834 119.097 1.737 1
1 642 . 14 1 1 A 53 53 ILE H H 51 8.656 9.696 -1.040 1
1 643 . 14 1 1 A 53 53 ILE HA H 51 4.461 4.743 -0.282 1
1 653 . 14 1 1 A 53 53 ILE C C 51 174.137 174.945 -0.808 1
1 654 . 14 1 1 A 53 53 ILE CA C 51 59.671 60.084 -0.413 1
1 655 . 14 1 1 A 53 53 ILE CB C 51 39.603 41.254 -1.651 1
1 659 . 14 1 1 A 53 53 ILE N N 51 122.740 125.032 -2.292 1
1 660 . 14 1 1 A 54 54 ASP H H 52 7.746 7.923 -0.177 1
1 661 . 14 1 1 A 54 54 ASP HA H 52 3.650 4.122 -0.472 1
1 664 . 14 1 1 A 54 54 ASP CA C 52 51.578 51.604 -0.026 1
1 665 . 14 1 1 A 54 54 ASP CB C 52 42.384 41.839 0.545 1
1 666 . 14 1 1 A 54 54 ASP N N 52 126.398 126.791 -0.393 1
1 667 . 14 1 1 A 55 55 PRO HA H 53 3.990 4.392 -0.402 1
1 674 . 14 1 1 A 55 55 PRO C C 53 176.274 176.908 -0.634 1
1 675 . 14 1 1 A 55 55 PRO CA C 53 63.546 63.849 -0.303 1
1 676 . 14 1 1 A 55 55 PRO CB C 53 32.272 31.608 0.664 1
1 679 . 14 1 1 A 56 56 LYS H H 54 8.054 8.341 -0.287 1
1 680 . 14 1 1 A 56 56 LYS HA H 54 3.954 4.335 -0.381 1
1 689 . 14 1 1 A 56 56 LYS C C 54 177.867 176.565 1.302 1
1 690 . 14 1 1 A 56 56 LYS CA C 54 56.189 55.484 0.705 1
1 691 . 14 1 1 A 56 56 LYS CB C 54 31.680 32.824 -1.144 1
1 695 . 14 1 1 A 56 56 LYS N N 54 115.161 115.577 -0.416 1
1 696 . 14 1 1 A 57 57 LEU H H 55 7.172 6.669 0.503 1
1 697 . 14 1 1 A 57 57 LEU HA H 55 4.021 4.122 -0.101 1
1 707 . 14 1 1 A 57 57 LEU C C 55 179.221 177.515 1.706 1
1 708 . 14 1 1 A 57 57 LEU CA C 55 55.781 55.263 0.518 1
1 709 . 14 1 1 A 57 57 LEU CB C 55 41.739 41.654 0.085 1
1 713 . 14 1 1 A 57 57 LEU N N 55 120.921 122.779 -1.858 1
1 714 . 14 1 1 A 58 58 LYS H H 56 8.753 8.805 -0.052 1
1 715 . 14 1 1 A 58 58 LYS HA H 56 3.898 3.888 0.010 1
1 724 . 14 1 1 A 58 58 LYS C C 56 179.161 178.322 0.839 1
1 725 . 14 1 1 A 58 58 LYS CA C 56 60.318 59.533 0.785 1
1 726 . 14 1 1 A 58 58 LYS CB C 56 32.100 32.039 0.061 1
1 730 . 14 1 1 A 58 58 LYS N N 56 125.449 124.625 0.824 1
1 731 . 14 1 1 A 59 59 TRP H H 57 7.889 8.248 -0.359 1
1 732 . 14 1 1 A 59 59 TRP HA H 57 4.612 4.516 0.096 1
1 741 . 14 1 1 A 59 59 TRP C C 57 178.642 179.076 -0.434 1
1 742 . 14 1 1 A 59 59 TRP CA C 57 58.388 59.724 -1.336 1
1 743 . 14 1 1 A 59 59 TRP CB C 57 27.954 27.942 0.012 1
1 749 . 14 1 1 A 59 59 TRP N N 57 113.858 119.172 -5.314 1
1 751 . 14 1 1 A 60 60 ILE H H 58 6.296 7.453 -1.157 1
1 752 . 14 1 1 A 60 60 ILE HA H 58 3.627 3.389 0.238 1
1 762 . 14 1 1 A 60 60 ILE C C 58 177.104 177.685 -0.581 1
1 763 . 14 1 1 A 60 60 ILE CA C 58 61.605 64.182 -2.577 1
1 764 . 14 1 1 A 60 60 ILE CB C 58 36.043 35.899 0.144 1
1 768 . 14 1 1 A 60 60 ILE N N 58 123.265 122.158 1.107 1
1 769 . 14 1 1 A 61 61 GLN H H 59 7.650 8.294 -0.644 1
1 770 . 14 1 1 A 61 61 GLN HA H 59 3.811 3.960 -0.149 1
1 777 . 14 1 1 A 61 61 GLN C C 59 178.933 179.169 -0.236 1
1 778 . 14 1 1 A 61 61 GLN CA C 59 59.663 59.104 0.559 1
1 779 . 14 1 1 A 61 61 GLN CB C 59 27.972 28.163 -0.191 1
1 781 . 14 1 1 A 61 61 GLN N N 59 120.850 119.730 1.120 1
1 783 . 14 1 1 A 62 62 GLU H H 60 8.057 7.908 0.149 1
1 784 . 14 1 1 A 62 62 GLU HA H 60 4.081 4.082 -0.001 1
1 789 . 14 1 1 A 62 62 GLU C C 60 178.539 178.404 0.135 1
1 790 . 14 1 1 A 62 62 GLU CA C 60 59.152 59.459 -0.307 1
1 791 . 14 1 1 A 62 62 GLU CB C 60 29.896 29.666 0.230 1
1 793 . 14 1 1 A 62 62 GLU N N 60 117.976 121.072 -3.096 1
1 794 . 14 1 1 A 63 63 TYR H H 61 8.004 8.386 -0.382 1
1 795 . 14 1 1 A 63 63 TYR HA H 61 4.216 4.075 0.141 1
1 802 . 14 1 1 A 63 63 TYR C C 61 178.157 177.066 1.091 1
1 803 . 14 1 1 A 63 63 TYR CA C 61 61.281 61.214 0.067 1
1 804 . 14 1 1 A 63 63 TYR CB C 61 38.956 38.637 0.319 1
1 807 . 14 1 1 A 63 63 TYR N N 61 120.743 122.222 -1.479 1
1 808 . 14 1 1 A 64 64 LEU H H 62 8.460 8.688 -0.228 1
1 809 . 14 1 1 A 64 64 LEU HA H 62 3.850 3.600 0.250 1
1 819 . 14 1 1 A 64 64 LEU C C 62 178.678 178.995 -0.317 1
1 820 . 14 1 1 A 64 64 LEU CA C 62 57.619 57.615 0.004 1
1 821 . 14 1 1 A 64 64 LEU CB C 62 41.868 41.014 0.854 1
1 825 . 14 1 1 A 64 64 LEU N N 62 119.052 119.529 -0.477 1
1 826 . 14 1 1 A 65 65 GLU H H 63 7.850 8.685 -0.835 1
1 827 . 14 1 1 A 65 65 GLU HA H 63 3.974 3.866 0.108 1
1 832 . 14 1 1 A 65 65 GLU C C 63 178.447 179.185 -0.738 1
1 833 . 14 1 1 A 65 65 GLU CA C 63 59.143 59.770 -0.627 1
1 834 . 14 1 1 A 65 65 GLU CB C 63 29.721 29.353 0.368 1
1 836 . 14 1 1 A 65 65 GLU N N 63 118.310 118.031 0.279 1
1 837 . 14 1 1 A 66 66 LYS H H 64 7.648 8.150 -0.502 1
1 838 . 14 1 1 A 66 66 LYS HA H 64 4.156 4.002 0.154 1
1 847 . 14 1 1 A 66 66 LYS C C 64 177.941 178.673 -0.732 1
1 848 . 14 1 1 A 66 66 LYS CA C 64 57.820 59.382 -1.562 1
1 849 . 14 1 1 A 66 66 LYS CB C 64 32.620 32.276 0.344 1
1 853 . 14 1 1 A 66 66 LYS N N 64 117.638 121.135 -3.497 1
1 854 . 14 1 1 A 67 67 ALA H H 65 8.004 7.967 0.037 1
1 855 . 14 1 1 A 67 67 ALA HA H 65 4.068 3.962 0.106 1
1 859 . 14 1 1 A 67 67 ALA C C 65 178.624 180.411 -1.787 1
1 860 . 14 1 1 A 67 67 ALA CA C 65 53.790 54.681 -0.891 1
1 861 . 14 1 1 A 67 67 ALA CB C 65 19.082 18.374 0.708 1
1 862 . 14 1 1 A 67 67 ALA N N 65 121.228 120.522 0.706 1
1 863 . 14 1 1 A 68 68 LEU H H 66 7.791 8.418 -0.627 1
1 864 . 14 1 1 A 68 68 LEU HA H 66 4.274 3.974 0.300 1
1 874 . 14 1 1 A 68 68 LEU CA C 66 55.593 57.541 -1.948 1
1 875 . 14 1 1 A 68 68 LEU CB C 66 42.329 41.616 0.713 1
1 878 . 14 1 1 A 68 68 LEU N N 66 116.882 119.941 -3.059 1
1 879 . 14 1 1 A 69 69 ASN H H 67 7.914 8.066 -0.152 1
1 880 . 14 1 1 A 69 69 ASN HA H 67 4.803 4.651 0.152 1
1 885 . 14 1 1 A 69 69 ASN C C 67 174.039 176.327 -2.288 1
1 886 . 14 1 1 A 69 69 ASN CA C 67 53.434 54.719 -1.285 1
1 887 . 14 1 1 A 69 69 ASN CB C 67 39.601 38.873 0.728 1
1 888 . 14 1 1 A 69 69 ASN N N 67 118.309 117.717 0.592 1
1 18 . 15 1 1 A 4 4 PRO HA H 2 4.416 4.756 -0.340 1
1 25 . 15 1 1 A 4 4 PRO C C 2 176.996 176.321 0.675 1
1 26 . 15 1 1 A 4 4 PRO CA C 2 63.494 62.609 0.885 1
1 27 . 15 1 1 A 4 4 PRO CB C 2 32.161 31.678 0.483 1
1 30 . 15 1 1 A 5 5 VAL H H 3 8.227 8.477 -0.250 1
1 31 . 15 1 1 A 5 5 VAL HA H 3 4.058 4.303 -0.245 1
1 39 . 15 1 1 A 5 5 VAL C C 3 176.376 176.230 0.146 1
1 40 . 15 1 1 A 5 5 VAL CA C 3 62.495 62.110 0.385 1
1 41 . 15 1 1 A 5 5 VAL CB C 3 32.808 32.313 0.495 1
1 43 . 15 1 1 A 5 5 VAL N N 3 121.008 123.086 -2.078 1
1 44 . 15 1 1 A 6 6 SER H H 4 8.270 8.943 -0.673 1
1 45 . 15 1 1 A 6 6 SER HA H 4 4.409 4.550 -0.141 1
1 48 . 15 1 1 A 6 6 SER C C 4 174.577 174.011 0.566 1
1 49 . 15 1 1 A 6 6 SER CA C 4 58.148 58.570 -0.422 1
1 50 . 15 1 1 A 6 6 SER CB C 4 63.870 64.127 -0.257 1
1 51 . 15 1 1 A 6 6 SER N N 4 119.573 122.241 -2.668 1
1 52 . 15 1 1 A 7 7 LEU H H 5 8.273 7.523 0.750 1
1 53 . 15 1 1 A 7 7 LEU HA H 5 4.320 4.248 0.072 1
1 63 . 15 1 1 A 7 7 LEU C C 5 177.341 176.967 0.374 1
1 64 . 15 1 1 A 7 7 LEU CA C 5 55.388 53.927 1.461 1
1 65 . 15 1 1 A 7 7 LEU CB C 5 42.650 41.092 1.558 1
1 68 . 15 1 1 A 7 7 LEU N N 5 125.039 122.390 2.649 1
1 69 . 15 1 1 A 8 8 SER H H 6 8.127 8.381 -0.254 1
1 70 . 15 1 1 A 8 8 SER HA H 6 4.335 4.613 -0.278 1
1 73 . 15 1 1 A 8 8 SER C C 6 174.189 173.047 1.142 1
1 74 . 15 1 1 A 8 8 SER CA C 6 58.433 58.286 0.147 1
1 75 . 15 1 1 A 8 8 SER CB C 6 63.870 63.425 0.445 1
1 76 . 15 1 1 A 8 8 SER N N 6 116.154 120.441 -4.287 1
1 77 . 15 1 1 A 9 9 TYR H H 7 7.971 8.010 -0.039 1
1 78 . 15 1 1 A 9 9 TYR HA H 7 4.502 4.581 -0.079 1
1 85 . 15 1 1 A 9 9 TYR C C 7 175.520 176.169 -0.649 1
1 86 . 15 1 1 A 9 9 TYR CA C 7 58.008 59.261 -1.253 1
1 87 . 15 1 1 A 9 9 TYR CB C 7 38.956 35.218 3.738 1
1 90 . 15 1 1 A 9 9 TYR N N 7 122.213 117.248 4.965 1
1 91 . 15 1 1 A 10 10 ARG H H 8 8.118 8.280 -0.162 1
1 92 . 15 1 1 A 10 10 ARG HA H 8 4.253 4.191 0.062 1
1 99 . 15 1 1 A 10 10 ARG C C 8 175.918 176.271 -0.353 1
1 100 . 15 1 1 A 10 10 ARG CA C 8 56.104 57.885 -1.781 1
1 101 . 15 1 1 A 10 10 ARG CB C 8 30.875 29.720 1.155 1
1 104 . 15 1 1 A 10 10 ARG N N 8 122.182 116.391 5.791 1
1 105 . 15 1 1 A 11 11 CYS H H 9 8.097 7.792 0.305 1
1 106 . 15 1 1 A 11 11 CYS HA H 9 4.909 4.918 -0.009 1
1 109 . 15 1 1 A 11 11 CYS C C 9 173.615 173.546 0.069 1
1 110 . 15 1 1 A 11 11 CYS CA C 9 53.127 53.998 -0.871 1
1 111 . 15 1 1 A 11 11 CYS CB C 9 40.218 43.840 -3.622 1
1 112 . 15 1 1 A 11 11 CYS N N 9 121.280 118.519 2.761 1
1 113 . 15 1 1 A 12 12 PRO HA H 10 4.275 4.488 -0.213 1
1 120 . 15 1 1 A 12 12 PRO C C 10 177.703 176.743 0.960 1
1 121 . 15 1 1 A 12 12 PRO CA C 10 64.859 64.937 -0.078 1
1 122 . 15 1 1 A 12 12 PRO CB C 10 32.508 31.724 0.784 1
1 125 . 15 1 1 A 13 13 CYS H H 11 8.248 8.037 0.211 1
1 126 . 15 1 1 A 13 13 CYS HA H 11 4.827 5.012 -0.185 1
1 129 . 15 1 1 A 13 13 CYS C C 11 174.202 172.732 1.470 1
1 130 . 15 1 1 A 13 13 CYS CA C 11 53.429 55.249 -1.820 1
1 131 . 15 1 1 A 13 13 CYS CB C 11 39.603 45.522 -5.919 1
1 132 . 15 1 1 A 13 13 CYS N N 11 114.161 115.714 -1.553 1
1 133 . 15 1 1 A 14 14 ARG HA H 12 3.984 4.596 -0.612 1
1 140 . 15 1 1 A 14 14 ARG C C 12 175.202 175.433 -0.231 1
1 141 . 15 1 1 A 14 14 ARG CA C 12 57.293 56.376 0.917 1
1 142 . 15 1 1 A 14 14 ARG CB C 12 31.098 33.066 -1.968 1
1 145 . 15 1 1 A 15 15 PHE H H 13 7.524 7.842 -0.318 1
1 146 . 15 1 1 A 15 15 PHE HA H 13 4.488 5.060 -0.572 1
1 154 . 15 1 1 A 15 15 PHE C C 13 174.226 175.005 -0.779 1
1 155 . 15 1 1 A 15 15 PHE CA C 13 55.971 56.532 -0.561 1
1 156 . 15 1 1 A 15 15 PHE CB C 13 41.059 40.616 0.443 1
1 160 . 15 1 1 A 15 15 PHE N N 13 116.175 116.294 -0.119 1
1 161 . 15 1 1 A 16 16 PHE H H 14 8.309 9.325 -1.016 1
1 162 . 15 1 1 A 16 16 PHE HA H 14 4.794 5.270 -0.476 1
1 170 . 15 1 1 A 16 16 PHE C C 14 175.247 174.532 0.715 1
1 171 . 15 1 1 A 16 16 PHE CA C 14 55.559 56.313 -0.754 1
1 172 . 15 1 1 A 16 16 PHE CB C 14 41.220 42.428 -1.208 1
1 176 . 15 1 1 A 16 16 PHE N N 14 119.656 121.590 -1.934 1
1 177 . 15 1 1 A 17 17 GLU H H 15 8.904 9.506 -0.602 1
1 178 . 15 1 1 A 17 17 GLU HA H 15 4.525 4.764 -0.239 1
1 183 . 15 1 1 A 17 17 GLU C C 15 176.747 177.410 -0.663 1
1 184 . 15 1 1 A 17 17 GLU CA C 15 56.012 55.594 0.418 1
1 185 . 15 1 1 A 17 17 GLU CB C 15 30.894 31.174 -0.280 1
1 187 . 15 1 1 A 17 17 GLU N N 15 122.929 124.019 -1.090 1
1 188 . 15 1 1 A 18 18 SER H H 16 8.752 9.096 -0.344 1
1 189 . 15 1 1 A 18 18 SER HA H 16 4.708 4.659 0.049 1
1 192 . 15 1 1 A 18 18 SER C C 16 174.278 174.196 0.082 1
1 193 . 15 1 1 A 18 18 SER CA C 16 59.799 58.714 1.085 1
1 194 . 15 1 1 A 18 18 SER CB C 16 64.023 63.614 0.409 1
1 195 . 15 1 1 A 18 18 SER N N 16 119.679 120.836 -1.157 1
1 196 . 15 1 1 A 19 19 HIS H H 17 9.044 7.656 1.388 1
1 197 . 15 1 1 A 19 19 HIS HA H 17 4.873 5.102 -0.229 1
1 202 . 15 1 1 A 19 19 HIS C C 17 174.580 172.883 1.697 1
1 203 . 15 1 1 A 19 19 HIS CA C 17 56.240 55.469 0.771 1
1 204 . 15 1 1 A 19 19 HIS CB C 17 28.272 31.315 -3.043 1
1 207 . 15 1 1 A 19 19 HIS N N 17 120.269 120.542 -0.273 1
1 208 . 15 1 1 A 20 20 VAL H H 18 7.212 9.110 -1.898 1
1 209 . 15 1 1 A 20 20 VAL HA H 18 4.226 4.742 -0.516 1
1 217 . 15 1 1 A 20 20 VAL C C 18 174.138 174.083 0.055 1
1 218 . 15 1 1 A 20 20 VAL CA C 18 61.605 60.236 1.369 1
1 219 . 15 1 1 A 20 20 VAL CB C 18 34.102 35.595 -1.493 1
1 221 . 15 1 1 A 20 20 VAL N N 18 119.528 127.372 -7.844 1
1 222 . 15 1 1 A 21 21 ALA H H 19 8.553 8.400 0.153 1
1 223 . 15 1 1 A 21 21 ALA HA H 19 4.340 4.305 0.035 1
1 227 . 15 1 1 A 21 21 ALA C C 19 177.514 177.372 0.142 1
1 228 . 15 1 1 A 21 21 ALA CA C 19 50.666 50.065 0.601 1
1 229 . 15 1 1 A 21 21 ALA CB C 19 19.660 20.431 -0.771 1
1 230 . 15 1 1 A 21 21 ALA N N 19 131.180 127.212 3.968 1
1 231 . 15 1 1 A 22 22 ARG H H 20 7.726 8.080 -0.354 1
1 232 . 15 1 1 A 22 22 ARG HA H 20 2.590 2.916 -0.326 1
1 239 . 15 1 1 A 22 22 ARG C C 20 178.531 177.157 1.374 1
1 240 . 15 1 1 A 22 22 ARG CA C 20 59.155 58.349 0.806 1
1 241 . 15 1 1 A 22 22 ARG CB C 20 29.167 29.370 -0.203 1
1 244 . 15 1 1 A 22 22 ARG N N 20 124.436 122.855 1.581 1
1 245 . 15 1 1 A 23 23 ALA H H 21 8.150 7.565 0.585 1
1 246 . 15 1 1 A 23 23 ALA HA H 21 4.019 4.121 -0.102 1
1 250 . 15 1 1 A 23 23 ALA C C 21 177.743 178.369 -0.626 1
1 251 . 15 1 1 A 23 23 ALA CA C 21 53.809 53.120 0.689 1
1 252 . 15 1 1 A 23 23 ALA CB C 21 18.688 18.590 0.098 1
1 253 . 15 1 1 A 23 23 ALA N N 21 117.354 120.716 -3.362 1
1 254 . 15 1 1 A 24 24 ASN H H 22 7.706 7.947 -0.241 1
1 255 . 15 1 1 A 24 24 ASN HA H 22 4.906 4.737 0.169 1
1 260 . 15 1 1 A 24 24 ASN C C 22 174.889 175.275 -0.386 1
1 261 . 15 1 1 A 24 24 ASN CA C 22 52.590 53.116 -0.526 1
1 262 . 15 1 1 A 24 24 ASN CB C 22 40.335 38.639 1.696 1
1 263 . 15 1 1 A 24 24 ASN N N 22 112.797 113.332 -0.535 1
1 265 . 15 1 1 A 25 25 VAL H H 23 7.457 6.919 0.538 1
1 266 . 15 1 1 A 25 25 VAL HA H 23 4.326 4.281 0.045 1
1 274 . 15 1 1 A 25 25 VAL C C 23 174.594 175.259 -0.665 1
1 275 . 15 1 1 A 25 25 VAL CA C 23 62.406 60.992 1.414 1
1 276 . 15 1 1 A 25 25 VAL CB C 23 33.445 33.179 0.266 1
1 278 . 15 1 1 A 25 25 VAL N N 23 118.772 115.896 2.876 1
1 279 . 15 1 1 A 26 26 LYS H H 24 9.261 9.341 -0.080 1
1 280 . 15 1 1 A 26 26 LYS HA H 24 4.406 4.577 -0.171 1
1 289 . 15 1 1 A 26 26 LYS C C 24 175.247 176.183 -0.936 1
1 290 . 15 1 1 A 26 26 LYS CA C 24 56.483 56.924 -0.441 1
1 291 . 15 1 1 A 26 26 LYS CB C 24 35.023 33.925 1.098 1
1 295 . 15 1 1 A 26 26 LYS N N 24 125.197 121.450 3.747 1
1 296 . 15 1 1 A 27 27 HIS H H 25 7.811 7.259 0.552 1
1 297 . 15 1 1 A 27 27 HIS HA H 25 4.627 4.967 -0.340 1
1 302 . 15 1 1 A 27 27 HIS C C 25 173.157 172.775 0.382 1
1 303 . 15 1 1 A 27 27 HIS CA C 25 55.463 55.443 0.020 1
1 304 . 15 1 1 A 27 27 HIS CB C 25 31.832 32.927 -1.095 1
1 307 . 15 1 1 A 27 27 HIS N N 25 115.509 118.190 -2.681 1
1 308 . 15 1 1 A 28 28 LEU H H 26 8.311 9.006 -0.695 1
1 309 . 15 1 1 A 28 28 LEU HA H 26 4.991 4.859 0.132 1
1 319 . 15 1 1 A 28 28 LEU C C 26 175.514 175.679 -0.165 1
1 320 . 15 1 1 A 28 28 LEU CA C 26 54.662 53.274 1.388 1
1 321 . 15 1 1 A 28 28 LEU CB C 26 45.594 43.490 2.104 1
1 325 . 15 1 1 A 29 29 LYS H H 27 9.003 9.248 -0.245 1
1 326 . 15 1 1 A 29 29 LYS HA H 27 4.578 4.772 -0.194 1
1 335 . 15 1 1 A 29 29 LYS C C 27 173.758 175.108 -1.350 1
1 336 . 15 1 1 A 29 29 LYS CA C 27 54.945 55.020 -0.075 1
1 337 . 15 1 1 A 29 29 LYS CB C 27 36.358 35.135 1.223 1
1 341 . 15 1 1 A 29 29 LYS N N 27 122.740 124.399 -1.659 1
1 342 . 15 1 1 A 30 30 ILE H H 28 8.526 9.010 -0.484 1
1 343 . 15 1 1 A 30 30 ILE HA H 28 4.623 4.688 -0.065 1
1 353 . 15 1 1 A 30 30 ILE C C 28 175.988 175.030 0.958 1
1 354 . 15 1 1 A 30 30 ILE CA C 28 60.122 61.292 -1.170 1
1 355 . 15 1 1 A 30 30 ILE CB C 28 38.795 38.621 0.174 1
1 359 . 15 1 1 A 30 30 ILE N N 28 123.517 127.365 -3.848 1
1 360 . 15 1 1 A 31 31 LEU H H 29 8.910 9.647 -0.737 1
1 361 . 15 1 1 A 31 31 LEU HA H 29 4.553 5.322 -0.769 1
1 371 . 15 1 1 A 31 31 LEU C C 29 176.005 175.081 0.924 1
1 372 . 15 1 1 A 31 31 LEU CA C 29 53.975 53.370 0.605 1
1 373 . 15 1 1 A 31 31 LEU CB C 29 43.485 45.564 -2.079 1
1 376 . 15 1 1 A 31 31 LEU N N 29 128.881 130.619 -1.738 1
1 377 . 15 1 1 A 32 32 ASN H H 30 8.710 9.135 -0.425 1
1 378 . 15 1 1 A 32 32 ASN HA H 30 4.954 5.813 -0.859 1
1 383 . 15 1 1 A 32 32 ASN C C 30 174.462 174.360 0.102 1
1 384 . 15 1 1 A 32 32 ASN CA C 30 52.413 51.498 0.915 1
1 385 . 15 1 1 A 32 32 ASN CB C 30 39.232 40.643 -1.411 1
1 386 . 15 1 1 A 32 32 ASN N N 30 124.019 124.286 -0.267 1
1 388 . 15 1 1 A 33 33 THR H H 31 8.094 8.517 -0.423 1
1 389 . 15 1 1 A 33 33 THR HA H 31 4.628 4.765 -0.137 1
1 394 . 15 1 1 A 33 33 THR CA C 31 59.475 59.040 0.435 1
1 395 . 15 1 1 A 33 33 THR CB C 31 70.459 71.930 -1.471 1
1 397 . 15 1 1 A 33 33 THR N N 31 118.961 116.560 2.401 1
1 398 . 15 1 1 A 34 34 PRO HA H 32 4.206 4.223 -0.017 1
1 405 . 15 1 1 A 34 34 PRO C C 32 176.814 177.826 -1.012 1
1 406 . 15 1 1 A 34 34 PRO CA C 32 64.445 65.802 -1.357 1
1 407 . 15 1 1 A 34 34 PRO CB C 32 32.170 31.815 0.355 1
1 410 . 15 1 1 A 35 35 ASN H H 33 8.504 8.526 -0.022 1
1 411 . 15 1 1 A 35 35 ASN HA H 33 4.342 4.737 -0.395 1
1 416 . 15 1 1 A 35 35 ASN C C 33 174.344 176.507 -2.163 1
1 417 . 15 1 1 A 35 35 ASN CA C 33 54.945 53.685 1.260 1
1 418 . 15 1 1 A 35 35 ASN CB C 33 38.122 39.336 -1.214 1
1 419 . 15 1 1 A 35 35 ASN N N 33 113.042 113.946 -0.904 1
1 421 . 15 1 1 A 36 36 CYS H H 34 7.526 7.902 -0.376 1
1 422 . 15 1 1 A 36 36 CYS HA H 34 4.878 4.566 0.312 1
1 425 . 15 1 1 A 36 36 CYS C C 34 173.880 174.352 -0.472 1
1 426 . 15 1 1 A 36 36 CYS CA C 34 54.622 56.347 -1.725 1
1 427 . 15 1 1 A 36 36 CYS CB C 34 44.780 42.320 2.460 1
1 428 . 15 1 1 A 36 36 CYS N N 34 116.301 115.177 1.124 1
1 429 . 15 1 1 A 37 37 ALA H H 35 8.395 7.936 0.459 1
1 430 . 15 1 1 A 37 37 ALA HA H 35 4.205 4.076 0.129 1
1 434 . 15 1 1 A 37 37 ALA C C 35 176.677 176.607 0.070 1
1 435 . 15 1 1 A 37 37 ALA CA C 35 52.413 54.344 -1.931 1
1 436 . 15 1 1 A 37 37 ALA CB C 35 18.968 17.855 1.113 1
1 437 . 15 1 1 A 37 37 ALA N N 35 125.001 123.545 1.456 1
1 438 . 15 1 1 A 38 38 LEU H H 36 8.004 8.297 -0.293 1
1 439 . 15 1 1 A 38 38 LEU HA H 36 4.206 4.542 -0.336 1
1 449 . 15 1 1 A 38 38 LEU C C 36 176.194 175.315 0.879 1
1 450 . 15 1 1 A 38 38 LEU CA C 36 56.563 55.173 1.390 1
1 451 . 15 1 1 A 38 38 LEU CB C 36 42.465 42.517 -0.052 1
1 455 . 15 1 1 A 38 38 LEU N N 36 121.548 121.182 0.366 1
1 456 . 15 1 1 A 39 39 GLN H H 37 8.471 9.264 -0.793 1
1 457 . 15 1 1 A 39 39 GLN HA H 37 4.621 5.348 -0.727 1
1 464 . 15 1 1 A 39 39 GLN C C 37 173.581 174.666 -1.085 1
1 465 . 15 1 1 A 39 39 GLN CA C 37 54.172 54.382 -0.210 1
1 466 . 15 1 1 A 39 39 GLN CB C 37 32.461 32.007 0.454 1
1 468 . 15 1 1 A 39 39 GLN N N 37 123.271 125.000 -1.729 1
1 470 . 15 1 1 A 40 40 ILE H H 38 9.429 9.150 0.279 1
1 471 . 15 1 1 A 40 40 ILE HA H 38 4.718 4.844 -0.126 1
1 481 . 15 1 1 A 40 40 ILE C C 38 174.547 175.478 -0.931 1
1 482 . 15 1 1 A 40 40 ILE CA C 38 60.122 60.035 0.087 1
1 483 . 15 1 1 A 40 40 ILE CB C 38 38.899 39.331 -0.432 1
1 487 . 15 1 1 A 40 40 ILE N N 38 124.702 125.130 -0.428 1
1 488 . 15 1 1 A 41 41 VAL H H 39 8.872 8.796 0.076 1
1 489 . 15 1 1 A 41 41 VAL HA H 39 5.027 4.962 0.065 1
1 497 . 15 1 1 A 41 41 VAL C C 39 174.772 175.025 -0.253 1
1 498 . 15 1 1 A 41 41 VAL CA C 39 60.111 61.076 -0.965 1
1 499 . 15 1 1 A 41 41 VAL CB C 39 34.767 34.127 0.640 1
1 501 . 15 1 1 A 41 41 VAL N N 39 124.441 128.369 -3.928 1
1 502 . 15 1 1 A 42 42 ALA H H 40 9.305 9.056 0.249 1
1 503 . 15 1 1 A 42 42 ALA HA H 40 5.289 5.324 -0.035 1
1 507 . 15 1 1 A 42 42 ALA C C 40 175.955 175.975 -0.020 1
1 508 . 15 1 1 A 42 42 ALA CA C 40 50.093 50.877 -0.784 1
1 509 . 15 1 1 A 42 42 ALA CB C 40 24.063 22.804 1.259 1
1 510 . 15 1 1 A 42 42 ALA N N 40 126.567 128.257 -1.690 1
1 511 . 15 1 1 A 43 43 ARG H H 41 8.393 8.743 -0.350 1
1 512 . 15 1 1 A 43 43 ARG HA H 41 5.119 5.175 -0.056 1
1 519 . 15 1 1 A 43 43 ARG C C 41 176.184 175.844 0.340 1
1 520 . 15 1 1 A 43 43 ARG CA C 41 53.900 54.657 -0.757 1
1 521 . 15 1 1 A 43 43 ARG CB C 41 32.306 32.566 -0.260 1
1 524 . 15 1 1 A 43 43 ARG N N 41 118.991 123.366 -4.375 1
1 525 . 15 1 1 A 44 44 LEU H H 42 9.010 8.874 0.136 1
1 526 . 15 1 1 A 44 44 LEU HA H 42 4.934 4.707 0.227 1
1 536 . 15 1 1 A 44 44 LEU C C 42 178.369 178.210 0.159 1
1 537 . 15 1 1 A 44 44 LEU CA C 42 54.329 54.343 -0.014 1
1 538 . 15 1 1 A 44 44 LEU CB C 42 41.497 42.124 -0.627 1
1 542 . 15 1 1 A 44 44 LEU N N 42 125.764 124.316 1.448 1
1 543 . 15 1 1 A 45 45 LYS H H 43 8.474 9.044 -0.570 1
1 544 . 15 1 1 A 45 45 LYS HA H 43 3.821 3.947 -0.126 1
1 553 . 15 1 1 A 45 45 LYS CA C 43 59.340 59.709 -0.369 1
1 554 . 15 1 1 A 45 45 LYS CB C 43 33.445 32.292 1.153 1
1 558 . 15 1 1 A 45 45 LYS N N 43 120.489 122.618 -2.129 1
1 559 . 15 1 1 A 46 46 ASN H H 44 8.657 8.104 0.553 1
1 560 . 15 1 1 A 46 46 ASN HA H 44 4.433 4.442 -0.009 1
1 565 . 15 1 1 A 46 46 ASN C C 44 175.970 177.265 -1.295 1
1 566 . 15 1 1 A 46 46 ASN CA C 44 55.457 56.024 -0.567 1
1 567 . 15 1 1 A 46 46 ASN CB C 44 37.507 38.686 -1.179 1
1 569 . 15 1 1 A 47 47 ASN H H 45 7.566 7.849 -0.283 1
1 570 . 15 1 1 A 47 47 ASN HA H 45 4.654 4.803 -0.149 1
1 575 . 15 1 1 A 47 47 ASN C C 45 175.461 175.124 0.337 1
1 576 . 15 1 1 A 47 47 ASN CA C 45 52.769 54.177 -1.408 1
1 577 . 15 1 1 A 47 47 ASN CB C 45 39.203 39.055 0.148 1
1 578 . 15 1 1 A 47 47 ASN N N 45 115.277 117.054 -1.777 1
1 580 . 15 1 1 A 48 48 ASN H H 46 8.008 8.197 -0.189 1
1 581 . 15 1 1 A 48 48 ASN HA H 46 4.649 4.670 -0.021 1
1 586 . 15 1 1 A 48 48 ASN C C 46 174.812 174.095 0.717 1
1 587 . 15 1 1 A 48 48 ASN CA C 46 54.491 54.616 -0.125 1
1 588 . 15 1 1 A 48 48 ASN CB C 46 39.092 38.195 0.897 1
1 589 . 15 1 1 A 48 48 ASN N N 46 116.416 117.603 -1.187 1
1 591 . 15 1 1 A 49 49 ARG H H 47 7.918 7.798 0.120 1
1 592 . 15 1 1 A 49 49 ARG HA H 47 4.206 4.311 -0.105 1
1 599 . 15 1 1 A 49 49 ARG C C 47 175.719 175.151 0.568 1
1 600 . 15 1 1 A 49 49 ARG CA C 47 57.084 56.576 0.508 1
1 601 . 15 1 1 A 49 49 ARG CB C 47 31.785 31.331 0.454 1
1 604 . 15 1 1 A 49 49 ARG N N 47 120.017 120.321 -0.304 1
1 605 . 15 1 1 A 50 50 GLN H H 48 8.617 8.594 0.023 1
1 606 . 15 1 1 A 50 50 GLN HA H 48 5.212 5.111 0.101 1
1 613 . 15 1 1 A 50 50 GLN C C 48 175.697 175.259 0.438 1
1 614 . 15 1 1 A 50 50 GLN CA C 48 55.454 54.634 0.820 1
1 615 . 15 1 1 A 50 50 GLN CB C 48 30.953 30.610 0.343 1
1 617 . 15 1 1 A 50 50 GLN N N 48 123.029 122.831 0.198 1
1 619 . 15 1 1 A 51 51 VAL H H 49 9.009 9.258 -0.249 1
1 620 . 15 1 1 A 51 51 VAL HA H 49 4.747 4.932 -0.185 1
1 628 . 15 1 1 A 51 51 VAL C C 49 174.561 174.423 0.138 1
1 629 . 15 1 1 A 51 51 VAL CA C 49 59.266 58.994 0.272 1
1 630 . 15 1 1 A 51 51 VAL CB C 49 35.845 34.912 0.933 1
1 633 . 15 1 1 A 51 51 VAL N N 49 119.358 119.864 -0.506 1
1 634 . 15 1 1 A 52 52 CYS H H 50 8.850 8.567 0.283 1
1 635 . 15 1 1 A 52 52 CYS HA H 50 5.605 5.624 -0.019 1
1 638 . 15 1 1 A 52 52 CYS C C 50 174.469 172.619 1.850 1
1 639 . 15 1 1 A 52 52 CYS CA C 50 56.377 54.505 1.872 1
1 640 . 15 1 1 A 52 52 CYS CB C 50 44.694 43.454 1.240 1
1 641 . 15 1 1 A 52 52 CYS N N 50 120.834 119.342 1.492 1
1 642 . 15 1 1 A 53 53 ILE H H 51 8.656 9.421 -0.765 1
1 643 . 15 1 1 A 53 53 ILE HA H 51 4.461 4.772 -0.311 1
1 653 . 15 1 1 A 53 53 ILE C C 51 174.137 174.954 -0.817 1
1 654 . 15 1 1 A 53 53 ILE CA C 51 59.671 59.950 -0.279 1
1 655 . 15 1 1 A 53 53 ILE CB C 51 39.603 41.613 -2.010 1
1 659 . 15 1 1 A 53 53 ILE N N 51 122.740 125.402 -2.662 1
1 660 . 15 1 1 A 54 54 ASP H H 52 7.746 8.036 -0.290 1
1 661 . 15 1 1 A 54 54 ASP HA H 52 3.650 4.569 -0.919 1
1 664 . 15 1 1 A 54 54 ASP CA C 52 51.578 51.806 -0.228 1
1 665 . 15 1 1 A 54 54 ASP CB C 52 42.384 42.164 0.220 1
1 666 . 15 1 1 A 54 54 ASP N N 52 126.398 126.602 -0.204 1
1 667 . 15 1 1 A 55 55 PRO HA H 53 3.990 4.463 -0.473 1
1 674 . 15 1 1 A 55 55 PRO C C 53 176.274 176.608 -0.334 1
1 675 . 15 1 1 A 55 55 PRO CA C 53 63.546 64.053 -0.507 1
1 676 . 15 1 1 A 55 55 PRO CB C 53 32.272 31.662 0.610 1
1 679 . 15 1 1 A 56 56 LYS H H 54 8.054 7.910 0.144 1
1 680 . 15 1 1 A 56 56 LYS HA H 54 3.954 4.384 -0.430 1
1 689 . 15 1 1 A 56 56 LYS C C 54 177.867 176.442 1.425 1
1 690 . 15 1 1 A 56 56 LYS CA C 54 56.189 56.106 0.083 1
1 691 . 15 1 1 A 56 56 LYS CB C 54 31.680 33.145 -1.465 1
1 695 . 15 1 1 A 56 56 LYS N N 54 115.161 116.199 -1.038 1
1 696 . 15 1 1 A 57 57 LEU H H 55 7.172 6.916 0.256 1
1 697 . 15 1 1 A 57 57 LEU HA H 55 4.021 4.195 -0.174 1
1 707 . 15 1 1 A 57 57 LEU C C 55 179.221 177.689 1.532 1
1 708 . 15 1 1 A 57 57 LEU CA C 55 55.781 55.291 0.490 1
1 709 . 15 1 1 A 57 57 LEU CB C 55 41.739 41.697 0.042 1
1 713 . 15 1 1 A 57 57 LEU N N 55 120.921 121.607 -0.686 1
1 714 . 15 1 1 A 58 58 LYS H H 56 8.753 8.833 -0.080 1
1 715 . 15 1 1 A 58 58 LYS HA H 56 3.898 3.961 -0.063 1
1 724 . 15 1 1 A 58 58 LYS C C 56 179.161 178.291 0.870 1
1 725 . 15 1 1 A 58 58 LYS CA C 56 60.318 59.562 0.756 1
1 726 . 15 1 1 A 58 58 LYS CB C 56 32.100 32.107 -0.007 1
1 730 . 15 1 1 A 58 58 LYS N N 56 125.449 124.654 0.795 1
1 731 . 15 1 1 A 59 59 TRP H H 57 7.889 8.332 -0.443 1
1 732 . 15 1 1 A 59 59 TRP HA H 57 4.612 4.774 -0.162 1
1 741 . 15 1 1 A 59 59 TRP C C 57 178.642 178.730 -0.088 1
1 742 . 15 1 1 A 59 59 TRP CA C 57 58.388 59.530 -1.142 1
1 743 . 15 1 1 A 59 59 TRP CB C 57 27.954 27.733 0.221 1
1 749 . 15 1 1 A 59 59 TRP N N 57 113.858 119.310 -5.452 1
1 751 . 15 1 1 A 60 60 ILE H H 58 6.296 7.509 -1.213 1
1 752 . 15 1 1 A 60 60 ILE HA H 58 3.627 3.361 0.266 1
1 762 . 15 1 1 A 60 60 ILE C C 58 177.104 177.508 -0.404 1
1 763 . 15 1 1 A 60 60 ILE CA C 58 61.605 64.026 -2.421 1
1 764 . 15 1 1 A 60 60 ILE CB C 58 36.043 35.840 0.203 1
1 768 . 15 1 1 A 60 60 ILE N N 58 123.265 121.817 1.448 1
1 769 . 15 1 1 A 61 61 GLN H H 59 7.650 8.411 -0.761 1
1 770 . 15 1 1 A 61 61 GLN HA H 59 3.811 3.952 -0.141 1
1 777 . 15 1 1 A 61 61 GLN C C 59 178.933 178.958 -0.025 1
1 778 . 15 1 1 A 61 61 GLN CA C 59 59.663 58.920 0.743 1
1 779 . 15 1 1 A 61 61 GLN CB C 59 27.972 28.074 -0.102 1
1 781 . 15 1 1 A 61 61 GLN N N 59 120.850 119.278 1.572 1
1 783 . 15 1 1 A 62 62 GLU H H 60 8.057 7.904 0.153 1
1 784 . 15 1 1 A 62 62 GLU HA H 60 4.081 4.082 -0.001 1
1 789 . 15 1 1 A 62 62 GLU C C 60 178.539 178.504 0.035 1
1 790 . 15 1 1 A 62 62 GLU CA C 60 59.152 59.271 -0.119 1
1 791 . 15 1 1 A 62 62 GLU CB C 60 29.896 29.603 0.293 1
1 793 . 15 1 1 A 62 62 GLU N N 60 117.976 121.298 -3.322 1
1 794 . 15 1 1 A 63 63 TYR H H 61 8.004 8.414 -0.410 1
1 795 . 15 1 1 A 63 63 TYR HA H 61 4.216 4.212 0.004 1
1 802 . 15 1 1 A 63 63 TYR C C 61 178.157 177.065 1.092 1
1 803 . 15 1 1 A 63 63 TYR CA C 61 61.281 61.457 -0.176 1
1 804 . 15 1 1 A 63 63 TYR CB C 61 38.956 38.645 0.311 1
1 807 . 15 1 1 A 63 63 TYR N N 61 120.743 122.341 -1.598 1
1 808 . 15 1 1 A 64 64 LEU H H 62 8.460 8.929 -0.469 1
1 809 . 15 1 1 A 64 64 LEU HA H 62 3.850 3.572 0.278 1
1 819 . 15 1 1 A 64 64 LEU C C 62 178.678 179.100 -0.422 1
1 820 . 15 1 1 A 64 64 LEU CA C 62 57.619 57.462 0.157 1
1 821 . 15 1 1 A 64 64 LEU CB C 62 41.868 41.166 0.702 1
1 825 . 15 1 1 A 64 64 LEU N N 62 119.052 118.993 0.059 1
1 826 . 15 1 1 A 65 65 GLU H H 63 7.850 8.516 -0.666 1
1 827 . 15 1 1 A 65 65 GLU HA H 63 3.974 3.809 0.165 1
1 832 . 15 1 1 A 65 65 GLU C C 63 178.447 178.582 -0.135 1
1 833 . 15 1 1 A 65 65 GLU CA C 63 59.143 60.006 -0.863 1
1 834 . 15 1 1 A 65 65 GLU CB C 63 29.721 29.244 0.477 1
1 836 . 15 1 1 A 65 65 GLU N N 63 118.310 120.575 -2.265 1
1 837 . 15 1 1 A 66 66 LYS H H 64 7.648 7.965 -0.317 1
1 838 . 15 1 1 A 66 66 LYS HA H 64 4.156 3.998 0.158 1
1 847 . 15 1 1 A 66 66 LYS C C 64 177.941 178.549 -0.608 1
1 848 . 15 1 1 A 66 66 LYS CA C 64 57.820 59.385 -1.565 1
1 849 . 15 1 1 A 66 66 LYS CB C 64 32.620 32.493 0.127 1
1 853 . 15 1 1 A 66 66 LYS N N 64 117.638 119.755 -2.117 1
1 854 . 15 1 1 A 67 67 ALA H H 65 8.004 8.321 -0.317 1
1 855 . 15 1 1 A 67 67 ALA HA H 65 4.068 3.950 0.118 1
1 859 . 15 1 1 A 67 67 ALA C C 65 178.624 180.128 -1.504 1
1 860 . 15 1 1 A 67 67 ALA CA C 65 53.790 54.660 -0.870 1
1 861 . 15 1 1 A 67 67 ALA CB C 65 19.082 18.309 0.773 1
1 862 . 15 1 1 A 67 67 ALA N N 65 121.228 120.537 0.691 1
1 863 . 15 1 1 A 68 68 LEU H H 66 7.791 8.166 -0.375 1
1 864 . 15 1 1 A 68 68 LEU HA H 66 4.274 4.013 0.261 1
1 874 . 15 1 1 A 68 68 LEU CA C 66 55.593 57.254 -1.661 1
1 875 . 15 1 1 A 68 68 LEU CB C 66 42.329 41.727 0.602 1
1 878 . 15 1 1 A 68 68 LEU N N 66 116.882 120.054 -3.172 1
1 879 . 15 1 1 A 69 69 ASN H H 67 7.914 7.910 0.004 1
1 880 . 15 1 1 A 69 69 ASN HA H 67 4.803 4.575 0.228 1
1 885 . 15 1 1 A 69 69 ASN C C 67 174.039 177.524 -3.485 1
1 886 . 15 1 1 A 69 69 ASN CA C 67 53.434 54.694 -1.260 1
1 887 . 15 1 1 A 69 69 ASN CB C 67 39.601 38.459 1.142 1
1 888 . 15 1 1 A 69 69 ASN N N 67 118.309 115.030 3.279 1
1 18 . 16 1 1 A 4 4 PRO HA H 2 4.416 4.753 -0.337 1
1 25 . 16 1 1 A 4 4 PRO C C 2 176.996 175.215 1.781 1
1 26 . 16 1 1 A 4 4 PRO CA C 2 63.494 62.520 0.974 1
1 27 . 16 1 1 A 4 4 PRO CB C 2 32.161 30.147 2.014 1
1 30 . 16 1 1 A 5 5 VAL H H 3 8.227 8.214 0.013 1
1 31 . 16 1 1 A 5 5 VAL HA H 3 4.058 4.539 -0.481 1
1 39 . 16 1 1 A 5 5 VAL C C 3 176.376 173.296 3.080 1
1 40 . 16 1 1 A 5 5 VAL CA C 3 62.495 60.788 1.707 1
1 41 . 16 1 1 A 5 5 VAL CB C 3 32.808 34.326 -1.518 1
1 43 . 16 1 1 A 5 5 VAL N N 3 121.008 124.134 -3.126 1
1 44 . 16 1 1 A 6 6 SER H H 4 8.270 9.007 -0.737 1
1 45 . 16 1 1 A 6 6 SER HA H 4 4.409 5.216 -0.807 1
1 48 . 16 1 1 A 6 6 SER C C 4 174.577 173.142 1.435 1
1 49 . 16 1 1 A 6 6 SER CA C 4 58.148 56.434 1.714 1
1 50 . 16 1 1 A 6 6 SER CB C 4 63.870 64.850 -0.980 1
1 51 . 16 1 1 A 6 6 SER N N 4 119.573 124.577 -5.004 1
1 52 . 16 1 1 A 7 7 LEU H H 5 8.273 8.972 -0.699 1
1 53 . 16 1 1 A 7 7 LEU HA H 5 4.320 4.630 -0.310 1
1 63 . 16 1 1 A 7 7 LEU C C 5 177.341 176.611 0.730 1
1 64 . 16 1 1 A 7 7 LEU CA C 5 55.388 54.059 1.329 1
1 65 . 16 1 1 A 7 7 LEU CB C 5 42.650 41.544 1.106 1
1 68 . 16 1 1 A 7 7 LEU N N 5 125.039 129.079 -4.040 1
1 69 . 16 1 1 A 8 8 SER H H 6 8.127 8.918 -0.791 1
1 70 . 16 1 1 A 8 8 SER HA H 6 4.335 4.305 0.030 1
1 73 . 16 1 1 A 8 8 SER C C 6 174.189 173.972 0.217 1
1 74 . 16 1 1 A 8 8 SER CA C 6 58.433 60.029 -1.596 1
1 75 . 16 1 1 A 8 8 SER CB C 6 63.870 63.982 -0.112 1
1 76 . 16 1 1 A 8 8 SER N N 6 116.154 121.238 -5.084 1
1 77 . 16 1 1 A 9 9 TYR H H 7 7.971 7.603 0.368 1
1 78 . 16 1 1 A 9 9 TYR HA H 7 4.502 5.346 -0.844 1
1 85 . 16 1 1 A 9 9 TYR C C 7 175.520 175.130 0.390 1
1 86 . 16 1 1 A 9 9 TYR CA C 7 58.008 56.497 1.511 1
1 87 . 16 1 1 A 9 9 TYR CB C 7 38.956 42.025 -3.069 1
1 90 . 16 1 1 A 9 9 TYR N N 7 122.213 117.264 4.949 1
1 91 . 16 1 1 A 10 10 ARG H H 8 8.118 9.169 -1.051 1
1 92 . 16 1 1 A 10 10 ARG HA H 8 4.253 5.028 -0.775 1
1 99 . 16 1 1 A 10 10 ARG C C 8 175.918 174.511 1.407 1
1 100 . 16 1 1 A 10 10 ARG CA C 8 56.104 54.245 1.859 1
1 101 . 16 1 1 A 10 10 ARG CB C 8 30.875 33.770 -2.895 1
1 104 . 16 1 1 A 10 10 ARG N N 8 122.182 120.925 1.257 1
1 105 . 16 1 1 A 11 11 CYS H H 9 8.097 8.639 -0.542 1
1 106 . 16 1 1 A 11 11 CYS HA H 9 4.909 5.092 -0.183 1
1 109 . 16 1 1 A 11 11 CYS C C 9 173.615 173.643 -0.028 1
1 110 . 16 1 1 A 11 11 CYS CA C 9 53.127 54.094 -0.967 1
1 111 . 16 1 1 A 11 11 CYS CB C 9 40.218 43.822 -3.604 1
1 112 . 16 1 1 A 11 11 CYS N N 9 121.280 119.959 1.321 1
1 113 . 16 1 1 A 12 12 PRO HA H 10 4.275 4.297 -0.022 1
1 120 . 16 1 1 A 12 12 PRO C C 10 177.703 176.491 1.212 1
1 121 . 16 1 1 A 12 12 PRO CA C 10 64.859 65.119 -0.260 1
1 122 . 16 1 1 A 12 12 PRO CB C 10 32.508 31.363 1.145 1
1 125 . 16 1 1 A 13 13 CYS H H 11 8.248 8.259 -0.011 1
1 126 . 16 1 1 A 13 13 CYS HA H 11 4.827 4.532 0.295 1
1 129 . 16 1 1 A 13 13 CYS C C 11 174.202 173.035 1.167 1
1 130 . 16 1 1 A 13 13 CYS CA C 11 53.429 54.467 -1.038 1
1 131 . 16 1 1 A 13 13 CYS CB C 11 39.603 43.408 -3.805 1
1 132 . 16 1 1 A 13 13 CYS N N 11 114.161 116.177 -2.016 1
1 133 . 16 1 1 A 14 14 ARG HA H 12 3.984 4.325 -0.341 1
1 140 . 16 1 1 A 14 14 ARG C C 12 175.202 175.725 -0.523 1
1 141 . 16 1 1 A 14 14 ARG CA C 12 57.293 57.026 0.267 1
1 142 . 16 1 1 A 14 14 ARG CB C 12 31.098 31.823 -0.725 1
1 145 . 16 1 1 A 15 15 PHE H H 13 7.524 7.495 0.029 1
1 146 . 16 1 1 A 15 15 PHE HA H 13 4.488 5.043 -0.555 1
1 154 . 16 1 1 A 15 15 PHE C C 13 174.226 174.649 -0.423 1
1 155 . 16 1 1 A 15 15 PHE CA C 13 55.971 55.193 0.778 1
1 156 . 16 1 1 A 15 15 PHE CB C 13 41.059 41.046 0.013 1
1 160 . 16 1 1 A 15 15 PHE N N 13 116.175 114.520 1.655 1
1 161 . 16 1 1 A 16 16 PHE H H 14 8.309 9.239 -0.930 1
1 162 . 16 1 1 A 16 16 PHE HA H 14 4.794 5.140 -0.346 1
1 170 . 16 1 1 A 16 16 PHE C C 14 175.247 175.237 0.010 1
1 171 . 16 1 1 A 16 16 PHE CA C 14 55.559 56.057 -0.498 1
1 172 . 16 1 1 A 16 16 PHE CB C 14 41.220 43.395 -2.175 1
1 176 . 16 1 1 A 16 16 PHE N N 14 119.656 118.780 0.876 1
1 177 . 16 1 1 A 17 17 GLU H H 15 8.904 9.460 -0.556 1
1 178 . 16 1 1 A 17 17 GLU HA H 15 4.525 4.698 -0.173 1
1 183 . 16 1 1 A 17 17 GLU C C 15 176.747 177.584 -0.837 1
1 184 . 16 1 1 A 17 17 GLU CA C 15 56.012 56.587 -0.575 1
1 185 . 16 1 1 A 17 17 GLU CB C 15 30.894 30.468 0.426 1
1 187 . 16 1 1 A 17 17 GLU N N 15 122.929 122.700 0.229 1
1 188 . 16 1 1 A 18 18 SER H H 16 8.752 9.103 -0.351 1
1 189 . 16 1 1 A 18 18 SER HA H 16 4.708 4.453 0.255 1
1 192 . 16 1 1 A 18 18 SER C C 16 174.278 174.157 0.121 1
1 193 . 16 1 1 A 18 18 SER CA C 16 59.799 58.532 1.267 1
1 194 . 16 1 1 A 18 18 SER CB C 16 64.023 63.942 0.081 1
1 195 . 16 1 1 A 18 18 SER N N 16 119.679 118.415 1.264 1
1 196 . 16 1 1 A 19 19 HIS H H 17 9.044 7.638 1.406 1
1 197 . 16 1 1 A 19 19 HIS HA H 17 4.873 5.244 -0.371 1
1 202 . 16 1 1 A 19 19 HIS C C 17 174.580 173.929 0.651 1
1 203 . 16 1 1 A 19 19 HIS CA C 17 56.240 54.749 1.491 1
1 204 . 16 1 1 A 19 19 HIS CB C 17 28.272 31.039 -2.767 1
1 207 . 16 1 1 A 19 19 HIS N N 17 120.269 120.455 -0.186 1
1 208 . 16 1 1 A 20 20 VAL H H 18 7.212 9.258 -2.046 1
1 209 . 16 1 1 A 20 20 VAL HA H 18 4.226 4.721 -0.495 1
1 217 . 16 1 1 A 20 20 VAL C C 18 174.138 174.370 -0.232 1
1 218 . 16 1 1 A 20 20 VAL CA C 18 61.605 60.492 1.113 1
1 219 . 16 1 1 A 20 20 VAL CB C 18 34.102 35.719 -1.617 1
1 221 . 16 1 1 A 20 20 VAL N N 18 119.528 124.140 -4.612 1
1 222 . 16 1 1 A 21 21 ALA H H 19 8.553 8.542 0.011 1
1 223 . 16 1 1 A 21 21 ALA HA H 19 4.340 4.492 -0.152 1
1 227 . 16 1 1 A 21 21 ALA C C 19 177.514 177.411 0.103 1
1 228 . 16 1 1 A 21 21 ALA CA C 19 50.666 50.703 -0.037 1
1 229 . 16 1 1 A 21 21 ALA CB C 19 19.660 20.507 -0.847 1
1 230 . 16 1 1 A 21 21 ALA N N 19 131.180 128.409 2.771 1
1 231 . 16 1 1 A 22 22 ARG H H 20 7.726 8.026 -0.300 1
1 232 . 16 1 1 A 22 22 ARG HA H 20 2.590 3.361 -0.771 1
1 239 . 16 1 1 A 22 22 ARG C C 20 178.531 177.328 1.203 1
1 240 . 16 1 1 A 22 22 ARG CA C 20 59.155 58.418 0.737 1
1 241 . 16 1 1 A 22 22 ARG CB C 20 29.167 29.019 0.148 1
1 244 . 16 1 1 A 22 22 ARG N N 20 124.436 124.101 0.335 1
1 245 . 16 1 1 A 23 23 ALA H H 21 8.150 7.504 0.646 1
1 246 . 16 1 1 A 23 23 ALA HA H 21 4.019 4.086 -0.067 1
1 250 . 16 1 1 A 23 23 ALA C C 21 177.743 178.285 -0.542 1
1 251 . 16 1 1 A 23 23 ALA CA C 21 53.809 53.598 0.211 1
1 252 . 16 1 1 A 23 23 ALA CB C 21 18.688 18.280 0.408 1
1 253 . 16 1 1 A 23 23 ALA N N 21 117.354 121.479 -4.125 1
1 254 . 16 1 1 A 24 24 ASN H H 22 7.706 7.818 -0.112 1
1 255 . 16 1 1 A 24 24 ASN HA H 22 4.906 4.765 0.141 1
1 260 . 16 1 1 A 24 24 ASN C C 22 174.889 175.365 -0.476 1
1 261 . 16 1 1 A 24 24 ASN CA C 22 52.590 53.370 -0.780 1
1 262 . 16 1 1 A 24 24 ASN CB C 22 40.335 39.181 1.154 1
1 263 . 16 1 1 A 24 24 ASN N N 22 112.797 115.438 -2.641 1
1 265 . 16 1 1 A 25 25 VAL H H 23 7.457 7.423 0.034 1
1 266 . 16 1 1 A 25 25 VAL HA H 23 4.326 4.319 0.007 1
1 274 . 16 1 1 A 25 25 VAL C C 23 174.594 175.956 -1.362 1
1 275 . 16 1 1 A 25 25 VAL CA C 23 62.406 62.613 -0.207 1
1 276 . 16 1 1 A 25 25 VAL CB C 23 33.445 32.383 1.062 1
1 278 . 16 1 1 A 25 25 VAL N N 23 118.772 119.959 -1.187 1
1 279 . 16 1 1 A 26 26 LYS H H 24 9.261 9.213 0.048 1
1 280 . 16 1 1 A 26 26 LYS HA H 24 4.406 4.375 0.031 1
1 289 . 16 1 1 A 26 26 LYS C C 24 175.247 176.398 -1.151 1
1 290 . 16 1 1 A 26 26 LYS CA C 24 56.483 57.466 -0.983 1
1 291 . 16 1 1 A 26 26 LYS CB C 24 35.023 33.462 1.561 1
1 295 . 16 1 1 A 26 26 LYS N N 24 125.197 122.865 2.332 1
1 296 . 16 1 1 A 27 27 HIS H H 25 7.811 7.577 0.234 1
1 297 . 16 1 1 A 27 27 HIS HA H 25 4.627 4.927 -0.300 1
1 302 . 16 1 1 A 27 27 HIS C C 25 173.157 172.681 0.476 1
1 303 . 16 1 1 A 27 27 HIS CA C 25 55.463 55.725 -0.262 1
1 304 . 16 1 1 A 27 27 HIS CB C 25 31.832 32.859 -1.027 1
1 307 . 16 1 1 A 27 27 HIS N N 25 115.509 118.157 -2.648 1
1 308 . 16 1 1 A 28 28 LEU H H 26 8.311 9.004 -0.693 1
1 309 . 16 1 1 A 28 28 LEU HA H 26 4.991 5.048 -0.057 1
1 319 . 16 1 1 A 28 28 LEU C C 26 175.514 175.334 0.180 1
1 320 . 16 1 1 A 28 28 LEU CA C 26 54.662 53.125 1.537 1
1 321 . 16 1 1 A 28 28 LEU CB C 26 45.594 43.141 2.453 1
1 325 . 16 1 1 A 29 29 LYS H H 27 9.003 9.352 -0.349 1
1 326 . 16 1 1 A 29 29 LYS HA H 27 4.578 4.849 -0.271 1
1 335 . 16 1 1 A 29 29 LYS C C 27 173.758 174.931 -1.173 1
1 336 . 16 1 1 A 29 29 LYS CA C 27 54.945 54.795 0.150 1
1 337 . 16 1 1 A 29 29 LYS CB C 27 36.358 35.161 1.197 1
1 341 . 16 1 1 A 29 29 LYS N N 27 122.740 125.279 -2.539 1
1 342 . 16 1 1 A 30 30 ILE H H 28 8.526 8.911 -0.385 1
1 343 . 16 1 1 A 30 30 ILE HA H 28 4.623 4.874 -0.251 1
1 353 . 16 1 1 A 30 30 ILE C C 28 175.988 174.485 1.503 1
1 354 . 16 1 1 A 30 30 ILE CA C 28 60.122 60.560 -0.438 1
1 355 . 16 1 1 A 30 30 ILE CB C 28 38.795 39.327 -0.532 1
1 359 . 16 1 1 A 30 30 ILE N N 28 123.517 127.622 -4.105 1
1 360 . 16 1 1 A 31 31 LEU H H 29 8.910 9.705 -0.795 1
1 361 . 16 1 1 A 31 31 LEU HA H 29 4.553 5.120 -0.567 1
1 371 . 16 1 1 A 31 31 LEU C C 29 176.005 175.298 0.707 1
1 372 . 16 1 1 A 31 31 LEU CA C 29 53.975 53.466 0.509 1
1 373 . 16 1 1 A 31 31 LEU CB C 29 43.485 45.134 -1.649 1
1 376 . 16 1 1 A 31 31 LEU N N 29 128.881 130.022 -1.141 1
1 377 . 16 1 1 A 32 32 ASN H H 30 8.710 8.972 -0.262 1
1 378 . 16 1 1 A 32 32 ASN HA H 30 4.954 5.281 -0.327 1
1 383 . 16 1 1 A 32 32 ASN C C 30 174.462 174.680 -0.218 1
1 384 . 16 1 1 A 32 32 ASN CA C 30 52.413 51.754 0.659 1
1 385 . 16 1 1 A 32 32 ASN CB C 30 39.232 39.572 -0.340 1
1 386 . 16 1 1 A 32 32 ASN N N 30 124.019 124.789 -0.770 1
1 388 . 16 1 1 A 33 33 THR H H 31 8.094 8.748 -0.654 1
1 389 . 16 1 1 A 33 33 THR HA H 31 4.628 4.703 -0.075 1
1 394 . 16 1 1 A 33 33 THR CA C 31 59.475 58.964 0.511 1
1 395 . 16 1 1 A 33 33 THR CB C 31 70.459 71.421 -0.962 1
1 397 . 16 1 1 A 33 33 THR N N 31 118.961 117.973 0.988 1
1 398 . 16 1 1 A 34 34 PRO HA H 32 4.206 4.171 0.035 1
1 405 . 16 1 1 A 34 34 PRO C C 32 176.814 177.341 -0.527 1
1 406 . 16 1 1 A 34 34 PRO CA C 32 64.445 65.580 -1.135 1
1 407 . 16 1 1 A 34 34 PRO CB C 32 32.170 31.605 0.565 1
1 410 . 16 1 1 A 35 35 ASN H H 33 8.504 8.367 0.137 1
1 411 . 16 1 1 A 35 35 ASN HA H 33 4.342 4.845 -0.503 1
1 416 . 16 1 1 A 35 35 ASN C C 33 174.344 175.821 -1.477 1
1 417 . 16 1 1 A 35 35 ASN CA C 33 54.945 52.465 2.480 1
1 418 . 16 1 1 A 35 35 ASN CB C 33 38.122 39.452 -1.330 1
1 419 . 16 1 1 A 35 35 ASN N N 33 113.042 112.167 0.875 1
1 421 . 16 1 1 A 36 36 CYS H H 34 7.526 7.578 -0.052 1
1 422 . 16 1 1 A 36 36 CYS HA H 34 4.878 4.781 0.097 1
1 425 . 16 1 1 A 36 36 CYS C C 34 173.880 174.182 -0.302 1
1 426 . 16 1 1 A 36 36 CYS CA C 34 54.622 55.527 -0.905 1
1 427 . 16 1 1 A 36 36 CYS CB C 34 44.780 43.478 1.302 1
1 428 . 16 1 1 A 36 36 CYS N N 34 116.301 117.261 -0.960 1
1 429 . 16 1 1 A 37 37 ALA H H 35 8.395 7.678 0.717 1
1 430 . 16 1 1 A 37 37 ALA HA H 35 4.205 4.004 0.201 1
1 434 . 16 1 1 A 37 37 ALA C C 35 176.677 177.087 -0.410 1
1 435 . 16 1 1 A 37 37 ALA CA C 35 52.413 54.308 -1.895 1
1 436 . 16 1 1 A 37 37 ALA CB C 35 18.968 17.813 1.155 1
1 437 . 16 1 1 A 37 37 ALA N N 35 125.001 122.805 2.196 1
1 438 . 16 1 1 A 38 38 LEU H H 36 8.004 8.340 -0.336 1
1 439 . 16 1 1 A 38 38 LEU HA H 36 4.206 4.799 -0.593 1
1 449 . 16 1 1 A 38 38 LEU C C 36 176.194 176.071 0.123 1
1 450 . 16 1 1 A 38 38 LEU CA C 36 56.563 54.100 2.463 1
1 451 . 16 1 1 A 38 38 LEU CB C 36 42.465 42.271 0.194 1
1 455 . 16 1 1 A 38 38 LEU N N 36 121.548 118.243 3.305 1
1 456 . 16 1 1 A 39 39 GLN H H 37 8.471 9.388 -0.917 1
1 457 . 16 1 1 A 39 39 GLN HA H 37 4.621 4.863 -0.242 1
1 464 . 16 1 1 A 39 39 GLN C C 37 173.581 174.620 -1.039 1
1 465 . 16 1 1 A 39 39 GLN CA C 37 54.172 55.031 -0.859 1
1 466 . 16 1 1 A 39 39 GLN CB C 37 32.461 30.213 2.248 1
1 468 . 16 1 1 A 39 39 GLN N N 37 123.271 123.399 -0.128 1
1 470 . 16 1 1 A 40 40 ILE H H 38 9.429 8.601 0.828 1
1 471 . 16 1 1 A 40 40 ILE HA H 38 4.718 4.716 0.002 1
1 481 . 16 1 1 A 40 40 ILE C C 38 174.547 175.406 -0.859 1
1 482 . 16 1 1 A 40 40 ILE CA C 38 60.122 59.909 0.213 1
1 483 . 16 1 1 A 40 40 ILE CB C 38 38.899 39.108 -0.209 1
1 487 . 16 1 1 A 40 40 ILE N N 38 124.702 124.667 0.035 1
1 488 . 16 1 1 A 41 41 VAL H H 39 8.872 9.106 -0.234 1
1 489 . 16 1 1 A 41 41 VAL HA H 39 5.027 4.826 0.201 1
1 497 . 16 1 1 A 41 41 VAL C C 39 174.772 175.101 -0.329 1
1 498 . 16 1 1 A 41 41 VAL CA C 39 60.111 61.251 -1.140 1
1 499 . 16 1 1 A 41 41 VAL CB C 39 34.767 33.383 1.384 1
1 501 . 16 1 1 A 41 41 VAL N N 39 124.441 128.789 -4.348 1
1 502 . 16 1 1 A 42 42 ALA H H 40 9.305 8.895 0.410 1
1 503 . 16 1 1 A 42 42 ALA HA H 40 5.289 5.564 -0.275 1
1 507 . 16 1 1 A 42 42 ALA C C 40 175.955 175.054 0.901 1
1 508 . 16 1 1 A 42 42 ALA CA C 40 50.093 50.663 -0.570 1
1 509 . 16 1 1 A 42 42 ALA CB C 40 24.063 22.645 1.418 1
1 510 . 16 1 1 A 42 42 ALA N N 40 126.567 128.825 -2.258 1
1 511 . 16 1 1 A 43 43 ARG H H 41 8.393 8.343 0.050 1
1 512 . 16 1 1 A 43 43 ARG HA H 41 5.119 5.087 0.032 1
1 519 . 16 1 1 A 43 43 ARG C C 41 176.184 175.812 0.372 1
1 520 . 16 1 1 A 43 43 ARG CA C 41 53.900 55.079 -1.179 1
1 521 . 16 1 1 A 43 43 ARG CB C 41 32.306 32.088 0.218 1
1 524 . 16 1 1 A 43 43 ARG N N 41 118.991 124.057 -5.066 1
1 525 . 16 1 1 A 44 44 LEU H H 42 9.010 9.260 -0.250 1
1 526 . 16 1 1 A 44 44 LEU HA H 42 4.934 4.932 0.002 1
1 536 . 16 1 1 A 44 44 LEU C C 42 178.369 177.541 0.828 1
1 537 . 16 1 1 A 44 44 LEU CA C 42 54.329 54.048 0.281 1
1 538 . 16 1 1 A 44 44 LEU CB C 42 41.497 42.408 -0.911 1
1 542 . 16 1 1 A 44 44 LEU N N 42 125.764 126.660 -0.896 1
1 543 . 16 1 1 A 45 45 LYS H H 43 8.474 9.713 -1.239 1
1 544 . 16 1 1 A 45 45 LYS HA H 43 3.821 3.961 -0.140 1
1 553 . 16 1 1 A 45 45 LYS CA C 43 59.340 59.513 -0.173 1
1 554 . 16 1 1 A 45 45 LYS CB C 43 33.445 32.781 0.664 1
1 558 . 16 1 1 A 45 45 LYS N N 43 120.489 122.205 -1.716 1
1 559 . 16 1 1 A 46 46 ASN H H 44 8.657 7.693 0.964 1
1 560 . 16 1 1 A 46 46 ASN HA H 44 4.433 4.442 -0.009 1
1 565 . 16 1 1 A 46 46 ASN C C 44 175.970 177.385 -1.415 1
1 566 . 16 1 1 A 46 46 ASN CA C 44 55.457 56.033 -0.576 1
1 567 . 16 1 1 A 46 46 ASN CB C 44 37.507 38.784 -1.277 1
1 569 . 16 1 1 A 47 47 ASN H H 45 7.566 7.861 -0.295 1
1 570 . 16 1 1 A 47 47 ASN HA H 45 4.654 4.827 -0.173 1
1 575 . 16 1 1 A 47 47 ASN C C 45 175.461 175.176 0.285 1
1 576 . 16 1 1 A 47 47 ASN CA C 45 52.769 53.464 -0.695 1
1 577 . 16 1 1 A 47 47 ASN CB C 45 39.203 39.100 0.103 1
1 578 . 16 1 1 A 47 47 ASN N N 45 115.277 116.747 -1.470 1
1 580 . 16 1 1 A 48 48 ASN H H 46 8.008 8.219 -0.211 1
1 581 . 16 1 1 A 48 48 ASN HA H 46 4.649 4.730 -0.081 1
1 586 . 16 1 1 A 48 48 ASN C C 46 174.812 174.375 0.437 1
1 587 . 16 1 1 A 48 48 ASN CA C 46 54.491 54.715 -0.224 1
1 588 . 16 1 1 A 48 48 ASN CB C 46 39.092 38.144 0.948 1
1 589 . 16 1 1 A 48 48 ASN N N 46 116.416 117.964 -1.548 1
1 591 . 16 1 1 A 49 49 ARG H H 47 7.918 7.651 0.267 1
1 592 . 16 1 1 A 49 49 ARG HA H 47 4.206 4.323 -0.117 1
1 599 . 16 1 1 A 49 49 ARG C C 47 175.719 175.348 0.371 1
1 600 . 16 1 1 A 49 49 ARG CA C 47 57.084 56.836 0.248 1
1 601 . 16 1 1 A 49 49 ARG CB C 47 31.785 31.568 0.217 1
1 604 . 16 1 1 A 49 49 ARG N N 47 120.017 120.952 -0.935 1
1 605 . 16 1 1 A 50 50 GLN H H 48 8.617 8.651 -0.034 1
1 606 . 16 1 1 A 50 50 GLN HA H 48 5.212 4.913 0.299 1
1 613 . 16 1 1 A 50 50 GLN C C 48 175.697 175.613 0.084 1
1 614 . 16 1 1 A 50 50 GLN CA C 48 55.454 54.762 0.692 1
1 615 . 16 1 1 A 50 50 GLN CB C 48 30.953 30.291 0.662 1
1 617 . 16 1 1 A 50 50 GLN N N 48 123.029 123.003 0.026 1
1 619 . 16 1 1 A 51 51 VAL H H 49 9.009 9.464 -0.455 1
1 620 . 16 1 1 A 51 51 VAL HA H 49 4.747 4.991 -0.244 1
1 628 . 16 1 1 A 51 51 VAL C C 49 174.561 174.374 0.187 1
1 629 . 16 1 1 A 51 51 VAL CA C 49 59.266 59.523 -0.257 1
1 630 . 16 1 1 A 51 51 VAL CB C 49 35.845 35.294 0.551 1
1 633 . 16 1 1 A 51 51 VAL N N 49 119.358 119.843 -0.485 1
1 634 . 16 1 1 A 52 52 CYS H H 50 8.850 8.808 0.042 1
1 635 . 16 1 1 A 52 52 CYS HA H 50 5.605 5.794 -0.189 1
1 638 . 16 1 1 A 52 52 CYS C C 50 174.469 172.449 2.020 1
1 639 . 16 1 1 A 52 52 CYS CA C 50 56.377 54.308 2.069 1
1 640 . 16 1 1 A 52 52 CYS CB C 50 44.694 44.825 -0.131 1
1 641 . 16 1 1 A 52 52 CYS N N 50 120.834 118.986 1.848 1
1 642 . 16 1 1 A 53 53 ILE H H 51 8.656 9.699 -1.043 1
1 643 . 16 1 1 A 53 53 ILE HA H 51 4.461 4.722 -0.261 1
1 653 . 16 1 1 A 53 53 ILE C C 51 174.137 174.970 -0.833 1
1 654 . 16 1 1 A 53 53 ILE CA C 51 59.671 60.129 -0.458 1
1 655 . 16 1 1 A 53 53 ILE CB C 51 39.603 41.242 -1.639 1
1 659 . 16 1 1 A 53 53 ILE N N 51 122.740 124.528 -1.788 1
1 660 . 16 1 1 A 54 54 ASP H H 52 7.746 7.937 -0.191 1
1 661 . 16 1 1 A 54 54 ASP HA H 52 3.650 4.322 -0.672 1
1 664 . 16 1 1 A 54 54 ASP CA C 52 51.578 51.668 -0.090 1
1 665 . 16 1 1 A 54 54 ASP CB C 52 42.384 41.938 0.446 1
1 666 . 16 1 1 A 54 54 ASP N N 52 126.398 126.776 -0.378 1
1 667 . 16 1 1 A 55 55 PRO HA H 53 3.990 4.428 -0.438 1
1 674 . 16 1 1 A 55 55 PRO C C 53 176.274 177.058 -0.784 1
1 675 . 16 1 1 A 55 55 PRO CA C 53 63.546 64.043 -0.497 1
1 676 . 16 1 1 A 55 55 PRO CB C 53 32.272 31.577 0.695 1
1 679 . 16 1 1 A 56 56 LYS H H 54 8.054 8.351 -0.297 1
1 680 . 16 1 1 A 56 56 LYS HA H 54 3.954 4.235 -0.281 1
1 689 . 16 1 1 A 56 56 LYS C C 54 177.867 176.548 1.319 1
1 690 . 16 1 1 A 56 56 LYS CA C 54 56.189 55.891 0.298 1
1 691 . 16 1 1 A 56 56 LYS CB C 54 31.680 32.054 -0.374 1
1 695 . 16 1 1 A 56 56 LYS N N 54 115.161 115.229 -0.068 1
1 696 . 16 1 1 A 57 57 LEU H H 55 7.172 6.755 0.417 1
1 697 . 16 1 1 A 57 57 LEU HA H 55 4.021 4.102 -0.081 1
1 707 . 16 1 1 A 57 57 LEU C C 55 179.221 177.738 1.483 1
1 708 . 16 1 1 A 57 57 LEU CA C 55 55.781 55.307 0.474 1
1 709 . 16 1 1 A 57 57 LEU CB C 55 41.739 41.643 0.096 1
1 713 . 16 1 1 A 57 57 LEU N N 55 120.921 123.387 -2.466 1
1 714 . 16 1 1 A 58 58 LYS H H 56 8.753 8.897 -0.144 1
1 715 . 16 1 1 A 58 58 LYS HA H 56 3.898 3.858 0.040 1
1 724 . 16 1 1 A 58 58 LYS C C 56 179.161 178.154 1.007 1
1 725 . 16 1 1 A 58 58 LYS CA C 56 60.318 59.715 0.603 1
1 726 . 16 1 1 A 58 58 LYS CB C 56 32.100 32.326 -0.226 1
1 730 . 16 1 1 A 58 58 LYS N N 56 125.449 124.526 0.923 1
1 731 . 16 1 1 A 59 59 TRP H H 57 7.889 8.159 -0.270 1
1 732 . 16 1 1 A 59 59 TRP HA H 57 4.612 4.613 -0.001 1
1 741 . 16 1 1 A 59 59 TRP C C 57 178.642 178.848 -0.206 1
1 742 . 16 1 1 A 59 59 TRP CA C 57 58.388 59.056 -0.668 1
1 743 . 16 1 1 A 59 59 TRP CB C 57 27.954 28.414 -0.460 1
1 749 . 16 1 1 A 59 59 TRP N N 57 113.858 119.607 -5.749 1
1 751 . 16 1 1 A 60 60 ILE H H 58 6.296 7.681 -1.385 1
1 752 . 16 1 1 A 60 60 ILE HA H 58 3.627 3.481 0.146 1
1 762 . 16 1 1 A 60 60 ILE C C 58 177.104 177.576 -0.472 1
1 763 . 16 1 1 A 60 60 ILE CA C 58 61.605 64.296 -2.691 1
1 764 . 16 1 1 A 60 60 ILE CB C 58 36.043 36.128 -0.085 1
1 768 . 16 1 1 A 60 60 ILE N N 58 123.265 121.893 1.372 1
1 769 . 16 1 1 A 61 61 GLN H H 59 7.650 8.271 -0.621 1
1 770 . 16 1 1 A 61 61 GLN HA H 59 3.811 3.904 -0.093 1
1 777 . 16 1 1 A 61 61 GLN C C 59 178.933 179.161 -0.228 1
1 778 . 16 1 1 A 61 61 GLN CA C 59 59.663 59.052 0.611 1
1 779 . 16 1 1 A 61 61 GLN CB C 59 27.972 28.585 -0.613 1
1 781 . 16 1 1 A 61 61 GLN N N 59 120.850 119.358 1.492 1
1 783 . 16 1 1 A 62 62 GLU H H 60 8.057 7.641 0.416 1
1 784 . 16 1 1 A 62 62 GLU HA H 60 4.081 4.092 -0.011 1
1 789 . 16 1 1 A 62 62 GLU C C 60 178.539 178.538 0.001 1
1 790 . 16 1 1 A 62 62 GLU CA C 60 59.152 59.548 -0.396 1
1 791 . 16 1 1 A 62 62 GLU CB C 60 29.896 29.627 0.269 1
1 793 . 16 1 1 A 62 62 GLU N N 60 117.976 120.565 -2.589 1
1 794 . 16 1 1 A 63 63 TYR H H 61 8.004 8.544 -0.540 1
1 795 . 16 1 1 A 63 63 TYR HA H 61 4.216 4.157 0.059 1
1 802 . 16 1 1 A 63 63 TYR C C 61 178.157 177.075 1.082 1
1 803 . 16 1 1 A 63 63 TYR CA C 61 61.281 61.441 -0.160 1
1 804 . 16 1 1 A 63 63 TYR CB C 61 38.956 38.628 0.328 1
1 807 . 16 1 1 A 63 63 TYR N N 61 120.743 122.330 -1.587 1
1 808 . 16 1 1 A 64 64 LEU H H 62 8.460 8.635 -0.175 1
1 809 . 16 1 1 A 64 64 LEU HA H 62 3.850 3.541 0.309 1
1 819 . 16 1 1 A 64 64 LEU C C 62 178.678 179.108 -0.430 1
1 820 . 16 1 1 A 64 64 LEU CA C 62 57.619 57.661 -0.042 1
1 821 . 16 1 1 A 64 64 LEU CB C 62 41.868 41.235 0.633 1
1 825 . 16 1 1 A 64 64 LEU N N 62 119.052 119.276 -0.224 1
1 826 . 16 1 1 A 65 65 GLU H H 63 7.850 8.547 -0.697 1
1 827 . 16 1 1 A 65 65 GLU HA H 63 3.974 3.868 0.106 1
1 832 . 16 1 1 A 65 65 GLU C C 63 178.447 179.069 -0.622 1
1 833 . 16 1 1 A 65 65 GLU CA C 63 59.143 59.822 -0.679 1
1 834 . 16 1 1 A 65 65 GLU CB C 63 29.721 29.521 0.200 1
1 836 . 16 1 1 A 65 65 GLU N N 63 118.310 117.457 0.853 1
1 837 . 16 1 1 A 66 66 LYS H H 64 7.648 8.135 -0.487 1
1 838 . 16 1 1 A 66 66 LYS HA H 64 4.156 3.997 0.159 1
1 847 . 16 1 1 A 66 66 LYS C C 64 177.941 178.860 -0.919 1
1 848 . 16 1 1 A 66 66 LYS CA C 64 57.820 59.313 -1.493 1
1 849 . 16 1 1 A 66 66 LYS CB C 64 32.620 32.311 0.309 1
1 853 . 16 1 1 A 66 66 LYS N N 64 117.638 121.011 -3.373 1
1 854 . 16 1 1 A 67 67 ALA H H 65 8.004 8.073 -0.069 1
1 855 . 16 1 1 A 67 67 ALA HA H 65 4.068 3.990 0.078 1
1 859 . 16 1 1 A 67 67 ALA C C 65 178.624 180.383 -1.759 1
1 860 . 16 1 1 A 67 67 ALA CA C 65 53.790 54.724 -0.934 1
1 861 . 16 1 1 A 67 67 ALA CB C 65 19.082 18.271 0.811 1
1 862 . 16 1 1 A 67 67 ALA N N 65 121.228 120.384 0.844 1
1 863 . 16 1 1 A 68 68 LEU H H 66 7.791 8.181 -0.390 1
1 864 . 16 1 1 A 68 68 LEU HA H 66 4.274 3.976 0.298 1
1 874 . 16 1 1 A 68 68 LEU CA C 66 55.593 57.616 -2.023 1
1 875 . 16 1 1 A 68 68 LEU CB C 66 42.329 41.656 0.673 1
1 878 . 16 1 1 A 68 68 LEU N N 66 116.882 120.206 -3.324 1
1 879 . 16 1 1 A 69 69 ASN H H 67 7.914 7.972 -0.058 1
1 880 . 16 1 1 A 69 69 ASN HA H 67 4.803 4.517 0.286 1
1 885 . 16 1 1 A 69 69 ASN C C 67 174.039 177.491 -3.452 1
1 886 . 16 1 1 A 69 69 ASN CA C 67 53.434 55.707 -2.273 1
1 887 . 16 1 1 A 69 69 ASN CB C 67 39.601 38.420 1.181 1
1 888 . 16 1 1 A 69 69 ASN N N 67 118.309 118.017 0.292 1
1 18 . 17 1 1 A 4 4 PRO HA H 2 4.416 4.846 -0.430 1
1 25 . 17 1 1 A 4 4 PRO C C 2 176.996 176.813 0.183 1
1 26 . 17 1 1 A 4 4 PRO CA C 2 63.494 62.279 1.215 1
1 27 . 17 1 1 A 4 4 PRO CB C 2 32.161 31.814 0.347 1
1 30 . 17 1 1 A 5 5 VAL H H 3 8.227 8.135 0.092 1
1 31 . 17 1 1 A 5 5 VAL HA H 3 4.058 4.481 -0.423 1
1 39 . 17 1 1 A 5 5 VAL C C 3 176.376 174.902 1.474 1
1 40 . 17 1 1 A 5 5 VAL CA C 3 62.495 59.693 2.802 1
1 41 . 17 1 1 A 5 5 VAL CB C 3 32.808 33.877 -1.069 1
1 43 . 17 1 1 A 5 5 VAL N N 3 121.008 117.608 3.400 1
1 44 . 17 1 1 A 6 6 SER H H 4 8.270 8.649 -0.379 1
1 45 . 17 1 1 A 6 6 SER HA H 4 4.409 4.523 -0.114 1
1 48 . 17 1 1 A 6 6 SER C C 4 174.577 173.533 1.044 1
1 49 . 17 1 1 A 6 6 SER CA C 4 58.148 58.007 0.141 1
1 50 . 17 1 1 A 6 6 SER CB C 4 63.870 61.034 2.836 1
1 51 . 17 1 1 A 6 6 SER N N 4 119.573 120.020 -0.447 1
1 52 . 17 1 1 A 7 7 LEU H H 5 8.273 7.821 0.452 1
1 53 . 17 1 1 A 7 7 LEU HA H 5 4.320 4.592 -0.272 1
1 63 . 17 1 1 A 7 7 LEU C C 5 177.341 174.530 2.811 1
1 64 . 17 1 1 A 7 7 LEU CA C 5 55.388 54.294 1.094 1
1 65 . 17 1 1 A 7 7 LEU CB C 5 42.650 41.986 0.664 1
1 68 . 17 1 1 A 7 7 LEU N N 5 125.039 127.678 -2.639 1
1 69 . 17 1 1 A 8 8 SER H H 6 8.127 7.830 0.297 1
1 70 . 17 1 1 A 8 8 SER HA H 6 4.335 5.011 -0.676 1
1 73 . 17 1 1 A 8 8 SER C C 6 174.189 172.294 1.895 1
1 74 . 17 1 1 A 8 8 SER CA C 6 58.433 57.541 0.892 1
1 75 . 17 1 1 A 8 8 SER CB C 6 63.870 64.748 -0.878 1
1 76 . 17 1 1 A 8 8 SER N N 6 116.154 118.728 -2.574 1
1 77 . 17 1 1 A 9 9 TYR H H 7 7.971 9.086 -1.115 1
1 78 . 17 1 1 A 9 9 TYR HA H 7 4.502 5.040 -0.538 1
1 85 . 17 1 1 A 9 9 TYR C C 7 175.520 175.752 -0.232 1
1 86 . 17 1 1 A 9 9 TYR CA C 7 58.008 56.370 1.638 1
1 87 . 17 1 1 A 9 9 TYR CB C 7 38.956 40.971 -2.015 1
1 90 . 17 1 1 A 9 9 TYR N N 7 122.213 125.711 -3.498 1
1 91 . 17 1 1 A 10 10 ARG H H 8 8.118 8.807 -0.689 1
1 92 . 17 1 1 A 10 10 ARG HA H 8 4.253 4.167 0.086 1
1 99 . 17 1 1 A 10 10 ARG C C 8 175.918 176.221 -0.303 1
1 100 . 17 1 1 A 10 10 ARG CA C 8 56.104 57.911 -1.807 1
1 101 . 17 1 1 A 10 10 ARG CB C 8 30.875 30.497 0.378 1
1 104 . 17 1 1 A 10 10 ARG N N 8 122.182 121.675 0.507 1
1 105 . 17 1 1 A 11 11 CYS H H 9 8.097 7.839 0.258 1
1 106 . 17 1 1 A 11 11 CYS HA H 9 4.909 4.902 0.007 1
1 109 . 17 1 1 A 11 11 CYS C C 9 173.615 173.654 -0.039 1
1 110 . 17 1 1 A 11 11 CYS CA C 9 53.127 54.145 -1.018 1
1 111 . 17 1 1 A 11 11 CYS CB C 9 40.218 43.860 -3.642 1
1 112 . 17 1 1 A 11 11 CYS N N 9 121.280 118.316 2.964 1
1 113 . 17 1 1 A 12 12 PRO HA H 10 4.275 4.273 0.002 1
1 120 . 17 1 1 A 12 12 PRO C C 10 177.703 176.473 1.230 1
1 121 . 17 1 1 A 12 12 PRO CA C 10 64.859 64.718 0.141 1
1 122 . 17 1 1 A 12 12 PRO CB C 10 32.508 31.618 0.890 1
1 125 . 17 1 1 A 13 13 CYS H H 11 8.248 7.468 0.780 1
1 126 . 17 1 1 A 13 13 CYS HA H 11 4.827 4.462 0.365 1
1 129 . 17 1 1 A 13 13 CYS C C 11 174.202 172.974 1.228 1
1 130 . 17 1 1 A 13 13 CYS CA C 11 53.429 55.103 -1.674 1
1 131 . 17 1 1 A 13 13 CYS CB C 11 39.603 43.683 -4.080 1
1 132 . 17 1 1 A 13 13 CYS N N 11 114.161 115.856 -1.695 1
1 133 . 17 1 1 A 14 14 ARG HA H 12 3.984 4.254 -0.270 1
1 140 . 17 1 1 A 14 14 ARG C C 12 175.202 175.845 -0.643 1
1 141 . 17 1 1 A 14 14 ARG CA C 12 57.293 57.490 -0.197 1
1 142 . 17 1 1 A 14 14 ARG CB C 12 31.098 31.063 0.035 1
1 145 . 17 1 1 A 15 15 PHE H H 13 7.524 7.322 0.202 1
1 146 . 17 1 1 A 15 15 PHE HA H 13 4.488 4.779 -0.291 1
1 154 . 17 1 1 A 15 15 PHE C C 13 174.226 174.118 0.108 1
1 155 . 17 1 1 A 15 15 PHE CA C 13 55.971 55.153 0.818 1
1 156 . 17 1 1 A 15 15 PHE CB C 13 41.059 41.774 -0.715 1
1 160 . 17 1 1 A 15 15 PHE N N 13 116.175 115.916 0.259 1
1 161 . 17 1 1 A 16 16 PHE H H 14 8.309 9.122 -0.813 1
1 162 . 17 1 1 A 16 16 PHE HA H 14 4.794 5.023 -0.229 1
1 170 . 17 1 1 A 16 16 PHE C C 14 175.247 175.123 0.124 1
1 171 . 17 1 1 A 16 16 PHE CA C 14 55.559 56.115 -0.556 1
1 172 . 17 1 1 A 16 16 PHE CB C 14 41.220 43.284 -2.064 1
1 176 . 17 1 1 A 16 16 PHE N N 14 119.656 118.010 1.646 1
1 177 . 17 1 1 A 17 17 GLU H H 15 8.904 9.808 -0.904 1
1 178 . 17 1 1 A 17 17 GLU HA H 15 4.525 4.803 -0.278 1
1 183 . 17 1 1 A 17 17 GLU C C 15 176.747 176.166 0.581 1
1 184 . 17 1 1 A 17 17 GLU CA C 15 56.012 56.227 -0.215 1
1 185 . 17 1 1 A 17 17 GLU CB C 15 30.894 31.644 -0.750 1
1 187 . 17 1 1 A 17 17 GLU N N 15 122.929 122.458 0.471 1
1 188 . 17 1 1 A 18 18 SER H H 16 8.752 8.802 -0.050 1
1 189 . 17 1 1 A 18 18 SER HA H 16 4.708 4.796 -0.088 1
1 192 . 17 1 1 A 18 18 SER C C 16 174.278 174.827 -0.549 1
1 193 . 17 1 1 A 18 18 SER CA C 16 59.799 58.398 1.401 1
1 194 . 17 1 1 A 18 18 SER CB C 16 64.023 64.095 -0.072 1
1 195 . 17 1 1 A 18 18 SER N N 16 119.679 120.124 -0.445 1
1 196 . 17 1 1 A 19 19 HIS H H 17 9.044 8.089 0.955 1
1 197 . 17 1 1 A 19 19 HIS HA H 17 4.873 4.575 0.298 1
1 202 . 17 1 1 A 19 19 HIS C C 17 174.580 175.467 -0.887 1
1 203 . 17 1 1 A 19 19 HIS CA C 17 56.240 56.865 -0.625 1
1 204 . 17 1 1 A 19 19 HIS CB C 17 28.272 29.929 -1.657 1
1 207 . 17 1 1 A 19 19 HIS N N 17 120.269 121.230 -0.961 1
1 208 . 17 1 1 A 20 20 VAL H H 18 7.212 7.674 -0.462 1
1 209 . 17 1 1 A 20 20 VAL HA H 18 4.226 4.132 0.094 1
1 217 . 17 1 1 A 20 20 VAL C C 18 174.138 175.133 -0.995 1
1 218 . 17 1 1 A 20 20 VAL CA C 18 61.605 62.122 -0.517 1
1 219 . 17 1 1 A 20 20 VAL CB C 18 34.102 32.447 1.655 1
1 221 . 17 1 1 A 20 20 VAL N N 18 119.528 120.598 -1.070 1
1 222 . 17 1 1 A 21 21 ALA H H 19 8.553 8.563 -0.010 1
1 223 . 17 1 1 A 21 21 ALA HA H 19 4.340 4.542 -0.202 1
1 227 . 17 1 1 A 21 21 ALA C C 19 177.514 177.471 0.043 1
1 228 . 17 1 1 A 21 21 ALA CA C 19 50.666 50.552 0.114 1
1 229 . 17 1 1 A 21 21 ALA CB C 19 19.660 20.162 -0.502 1
1 230 . 17 1 1 A 21 21 ALA N N 19 131.180 130.552 0.628 1
1 231 . 17 1 1 A 22 22 ARG H H 20 7.726 8.000 -0.274 1
1 232 . 17 1 1 A 22 22 ARG HA H 20 2.590 3.161 -0.571 1
1 239 . 17 1 1 A 22 22 ARG C C 20 178.531 177.403 1.128 1
1 240 . 17 1 1 A 22 22 ARG CA C 20 59.155 58.164 0.991 1
1 241 . 17 1 1 A 22 22 ARG CB C 20 29.167 28.955 0.212 1
1 244 . 17 1 1 A 22 22 ARG N N 20 124.436 122.928 1.508 1
1 245 . 17 1 1 A 23 23 ALA H H 21 8.150 7.528 0.622 1
1 246 . 17 1 1 A 23 23 ALA HA H 21 4.019 4.067 -0.048 1
1 250 . 17 1 1 A 23 23 ALA C C 21 177.743 177.628 0.115 1
1 251 . 17 1 1 A 23 23 ALA CA C 21 53.809 53.808 0.001 1
1 252 . 17 1 1 A 23 23 ALA CB C 21 18.688 18.227 0.461 1
1 253 . 17 1 1 A 23 23 ALA N N 21 117.354 121.213 -3.859 1
1 254 . 17 1 1 A 24 24 ASN H H 22 7.706 7.926 -0.220 1
1 255 . 17 1 1 A 24 24 ASN HA H 22 4.906 4.829 0.077 1
1 260 . 17 1 1 A 24 24 ASN C C 22 174.889 174.908 -0.019 1
1 261 . 17 1 1 A 24 24 ASN CA C 22 52.590 52.515 0.075 1
1 262 . 17 1 1 A 24 24 ASN CB C 22 40.335 39.096 1.239 1
1 263 . 17 1 1 A 24 24 ASN N N 22 112.797 115.306 -2.509 1
1 265 . 17 1 1 A 25 25 VAL H H 23 7.457 7.047 0.410 1
1 266 . 17 1 1 A 25 25 VAL HA H 23 4.326 4.333 -0.007 1
1 274 . 17 1 1 A 25 25 VAL C C 23 174.594 176.002 -1.408 1
1 275 . 17 1 1 A 25 25 VAL CA C 23 62.406 60.338 2.068 1
1 276 . 17 1 1 A 25 25 VAL CB C 23 33.445 33.619 -0.174 1
1 278 . 17 1 1 A 25 25 VAL N N 23 118.772 119.693 -0.921 1
1 279 . 17 1 1 A 26 26 LYS H H 24 9.261 9.200 0.061 1
1 280 . 17 1 1 A 26 26 LYS HA H 24 4.406 4.531 -0.125 1
1 289 . 17 1 1 A 26 26 LYS C C 24 175.247 176.380 -1.133 1
1 290 . 17 1 1 A 26 26 LYS CA C 24 56.483 57.082 -0.599 1
1 291 . 17 1 1 A 26 26 LYS CB C 24 35.023 33.638 1.385 1
1 295 . 17 1 1 A 26 26 LYS N N 24 125.197 123.882 1.315 1
1 296 . 17 1 1 A 27 27 HIS H H 25 7.811 7.571 0.240 1
1 297 . 17 1 1 A 27 27 HIS HA H 25 4.627 4.943 -0.316 1
1 302 . 17 1 1 A 27 27 HIS C C 25 173.157 172.701 0.456 1
1 303 . 17 1 1 A 27 27 HIS CA C 25 55.463 55.492 -0.029 1
1 304 . 17 1 1 A 27 27 HIS CB C 25 31.832 32.901 -1.069 1
1 307 . 17 1 1 A 27 27 HIS N N 25 115.509 117.969 -2.460 1
1 308 . 17 1 1 A 28 28 LEU H H 26 8.311 9.062 -0.751 1
1 309 . 17 1 1 A 28 28 LEU HA H 26 4.991 4.915 0.076 1
1 319 . 17 1 1 A 28 28 LEU C C 26 175.514 175.608 -0.094 1
1 320 . 17 1 1 A 28 28 LEU CA C 26 54.662 53.234 1.428 1
1 321 . 17 1 1 A 28 28 LEU CB C 26 45.594 44.036 1.558 1
1 325 . 17 1 1 A 29 29 LYS H H 27 9.003 9.219 -0.216 1
1 326 . 17 1 1 A 29 29 LYS HA H 27 4.578 4.726 -0.148 1
1 335 . 17 1 1 A 29 29 LYS C C 27 173.758 175.149 -1.391 1
1 336 . 17 1 1 A 29 29 LYS CA C 27 54.945 55.031 -0.086 1
1 337 . 17 1 1 A 29 29 LYS CB C 27 36.358 34.894 1.464 1
1 341 . 17 1 1 A 29 29 LYS N N 27 122.740 124.165 -1.425 1
1 342 . 17 1 1 A 30 30 ILE H H 28 8.526 8.908 -0.382 1
1 343 . 17 1 1 A 30 30 ILE HA H 28 4.623 4.799 -0.176 1
1 353 . 17 1 1 A 30 30 ILE C C 28 175.988 175.225 0.763 1
1 354 . 17 1 1 A 30 30 ILE CA C 28 60.122 60.464 -0.342 1
1 355 . 17 1 1 A 30 30 ILE CB C 28 38.795 39.927 -1.132 1
1 359 . 17 1 1 A 30 30 ILE N N 28 123.517 127.111 -3.594 1
1 360 . 17 1 1 A 31 31 LEU H H 29 8.910 9.915 -1.005 1
1 361 . 17 1 1 A 31 31 LEU HA H 29 4.553 5.126 -0.573 1
1 371 . 17 1 1 A 31 31 LEU C C 29 176.005 175.431 0.574 1
1 372 . 17 1 1 A 31 31 LEU CA C 29 53.975 53.255 0.720 1
1 373 . 17 1 1 A 31 31 LEU CB C 29 43.485 44.611 -1.126 1
1 376 . 17 1 1 A 31 31 LEU N N 29 128.881 127.124 1.757 1
1 377 . 17 1 1 A 32 32 ASN H H 30 8.710 8.975 -0.265 1
1 378 . 17 1 1 A 32 32 ASN HA H 30 4.954 5.581 -0.627 1
1 383 . 17 1 1 A 32 32 ASN C C 30 174.462 174.240 0.222 1
1 384 . 17 1 1 A 32 32 ASN CA C 30 52.413 51.509 0.904 1
1 385 . 17 1 1 A 32 32 ASN CB C 30 39.232 40.076 -0.844 1
1 386 . 17 1 1 A 32 32 ASN N N 30 124.019 122.412 1.607 1
1 388 . 17 1 1 A 33 33 THR H H 31 8.094 9.010 -0.916 1
1 389 . 17 1 1 A 33 33 THR HA H 31 4.628 4.767 -0.139 1
1 394 . 17 1 1 A 33 33 THR CA C 31 59.475 58.980 0.495 1
1 395 . 17 1 1 A 33 33 THR CB C 31 70.459 71.285 -0.826 1
1 397 . 17 1 1 A 33 33 THR N N 31 118.961 118.441 0.520 1
1 398 . 17 1 1 A 34 34 PRO HA H 32 4.206 4.554 -0.348 1
1 405 . 17 1 1 A 34 34 PRO C C 32 176.814 176.364 0.450 1
1 406 . 17 1 1 A 34 34 PRO CA C 32 64.445 64.305 0.140 1
1 407 . 17 1 1 A 34 34 PRO CB C 32 32.170 31.769 0.401 1
1 410 . 17 1 1 A 35 35 ASN H H 33 8.504 8.455 0.049 1
1 411 . 17 1 1 A 35 35 ASN HA H 33 4.342 4.870 -0.528 1
1 416 . 17 1 1 A 35 35 ASN C C 33 174.344 175.776 -1.432 1
1 417 . 17 1 1 A 35 35 ASN CA C 33 54.945 53.201 1.744 1
1 418 . 17 1 1 A 35 35 ASN CB C 33 38.122 39.748 -1.626 1
1 419 . 17 1 1 A 35 35 ASN N N 33 113.042 115.215 -2.173 1
1 421 . 17 1 1 A 36 36 CYS H H 34 7.526 7.597 -0.071 1
1 422 . 17 1 1 A 36 36 CYS HA H 34 4.878 4.804 0.074 1
1 425 . 17 1 1 A 36 36 CYS C C 34 173.880 174.001 -0.121 1
1 426 . 17 1 1 A 36 36 CYS CA C 34 54.622 55.842 -1.220 1
1 427 . 17 1 1 A 36 36 CYS CB C 34 44.780 43.529 1.251 1
1 428 . 17 1 1 A 36 36 CYS N N 34 116.301 116.712 -0.411 1
1 429 . 17 1 1 A 37 37 ALA H H 35 8.395 7.733 0.662 1
1 430 . 17 1 1 A 37 37 ALA HA H 35 4.205 4.029 0.176 1
1 434 . 17 1 1 A 37 37 ALA C C 35 176.677 176.584 0.093 1
1 435 . 17 1 1 A 37 37 ALA CA C 35 52.413 54.329 -1.916 1
1 436 . 17 1 1 A 37 37 ALA CB C 35 18.968 17.858 1.110 1
1 437 . 17 1 1 A 37 37 ALA N N 35 125.001 122.294 2.707 1
1 438 . 17 1 1 A 38 38 LEU H H 36 8.004 8.379 -0.375 1
1 439 . 17 1 1 A 38 38 LEU HA H 36 4.206 4.760 -0.554 1
1 449 . 17 1 1 A 38 38 LEU C C 36 176.194 174.912 1.282 1
1 450 . 17 1 1 A 38 38 LEU CA C 36 56.563 54.180 2.383 1
1 451 . 17 1 1 A 38 38 LEU CB C 36 42.465 43.100 -0.635 1
1 455 . 17 1 1 A 38 38 LEU N N 36 121.548 120.528 1.020 1
1 456 . 17 1 1 A 39 39 GLN H H 37 8.471 9.450 -0.979 1
1 457 . 17 1 1 A 39 39 GLN HA H 37 4.621 5.080 -0.459 1
1 464 . 17 1 1 A 39 39 GLN C C 37 173.581 174.471 -0.890 1
1 465 . 17 1 1 A 39 39 GLN CA C 37 54.172 54.406 -0.234 1
1 466 . 17 1 1 A 39 39 GLN CB C 37 32.461 31.457 1.004 1
1 468 . 17 1 1 A 39 39 GLN N N 37 123.271 125.578 -2.307 1
1 470 . 17 1 1 A 40 40 ILE H H 38 9.429 8.546 0.883 1
1 471 . 17 1 1 A 40 40 ILE HA H 38 4.718 4.838 -0.120 1
1 481 . 17 1 1 A 40 40 ILE C C 38 174.547 175.363 -0.816 1
1 482 . 17 1 1 A 40 40 ILE CA C 38 60.122 60.225 -0.103 1
1 483 . 17 1 1 A 40 40 ILE CB C 38 38.899 39.510 -0.611 1
1 487 . 17 1 1 A 40 40 ILE N N 38 124.702 125.430 -0.728 1
1 488 . 17 1 1 A 41 41 VAL H H 39 8.872 8.769 0.103 1
1 489 . 17 1 1 A 41 41 VAL HA H 39 5.027 4.970 0.057 1
1 497 . 17 1 1 A 41 41 VAL C C 39 174.772 174.866 -0.094 1
1 498 . 17 1 1 A 41 41 VAL CA C 39 60.111 61.131 -1.020 1
1 499 . 17 1 1 A 41 41 VAL CB C 39 34.767 33.404 1.363 1
1 501 . 17 1 1 A 41 41 VAL N N 39 124.441 128.115 -3.674 1
1 502 . 17 1 1 A 42 42 ALA H H 40 9.305 9.176 0.129 1
1 503 . 17 1 1 A 42 42 ALA HA H 40 5.289 5.420 -0.131 1
1 507 . 17 1 1 A 42 42 ALA C C 40 175.955 174.608 1.347 1
1 508 . 17 1 1 A 42 42 ALA CA C 40 50.093 50.901 -0.808 1
1 509 . 17 1 1 A 42 42 ALA CB C 40 24.063 22.931 1.132 1
1 510 . 17 1 1 A 42 42 ALA N N 40 126.567 128.450 -1.883 1
1 511 . 17 1 1 A 43 43 ARG H H 41 8.393 8.324 0.069 1
1 512 . 17 1 1 A 43 43 ARG HA H 41 5.119 5.300 -0.181 1
1 519 . 17 1 1 A 43 43 ARG C C 41 176.184 175.737 0.447 1
1 520 . 17 1 1 A 43 43 ARG CA C 41 53.900 54.866 -0.966 1
1 521 . 17 1 1 A 43 43 ARG CB C 41 32.306 32.670 -0.364 1
1 524 . 17 1 1 A 43 43 ARG N N 41 118.991 122.925 -3.934 1
1 525 . 17 1 1 A 44 44 LEU H H 42 9.010 9.143 -0.133 1
1 526 . 17 1 1 A 44 44 LEU HA H 42 4.934 4.836 0.098 1
1 536 . 17 1 1 A 44 44 LEU C C 42 178.369 177.817 0.552 1
1 537 . 17 1 1 A 44 44 LEU CA C 42 54.329 54.133 0.196 1
1 538 . 17 1 1 A 44 44 LEU CB C 42 41.497 42.387 -0.890 1
1 542 . 17 1 1 A 44 44 LEU N N 42 125.764 126.825 -1.061 1
1 543 . 17 1 1 A 45 45 LYS H H 43 8.474 9.666 -1.192 1
1 544 . 17 1 1 A 45 45 LYS HA H 43 3.821 3.910 -0.089 1
1 553 . 17 1 1 A 45 45 LYS CA C 43 59.340 59.590 -0.250 1
1 554 . 17 1 1 A 45 45 LYS CB C 43 33.445 32.850 0.595 1
1 558 . 17 1 1 A 45 45 LYS N N 43 120.489 122.202 -1.713 1
1 559 . 17 1 1 A 46 46 ASN H H 44 8.657 7.717 0.940 1
1 560 . 17 1 1 A 46 46 ASN HA H 44 4.433 4.453 -0.020 1
1 565 . 17 1 1 A 46 46 ASN C C 44 175.970 177.308 -1.338 1
1 566 . 17 1 1 A 46 46 ASN CA C 44 55.457 56.199 -0.742 1
1 567 . 17 1 1 A 46 46 ASN CB C 44 37.507 38.679 -1.172 1
1 569 . 17 1 1 A 47 47 ASN H H 45 7.566 7.871 -0.305 1
1 570 . 17 1 1 A 47 47 ASN HA H 45 4.654 4.833 -0.179 1
1 575 . 17 1 1 A 47 47 ASN C C 45 175.461 175.068 0.393 1
1 576 . 17 1 1 A 47 47 ASN CA C 45 52.769 53.643 -0.874 1
1 577 . 17 1 1 A 47 47 ASN CB C 45 39.203 39.200 0.003 1
1 578 . 17 1 1 A 47 47 ASN N N 45 115.277 116.084 -0.807 1
1 580 . 17 1 1 A 48 48 ASN H H 46 8.008 8.233 -0.225 1
1 581 . 17 1 1 A 48 48 ASN HA H 46 4.649 4.553 0.096 1
1 586 . 17 1 1 A 48 48 ASN C C 46 174.812 173.964 0.848 1
1 587 . 17 1 1 A 48 48 ASN CA C 46 54.491 54.619 -0.128 1
1 588 . 17 1 1 A 48 48 ASN CB C 46 39.092 38.197 0.895 1
1 589 . 17 1 1 A 48 48 ASN N N 46 116.416 117.645 -1.229 1
1 591 . 17 1 1 A 49 49 ARG H H 47 7.918 7.942 -0.024 1
1 592 . 17 1 1 A 49 49 ARG HA H 47 4.206 4.362 -0.156 1
1 599 . 17 1 1 A 49 49 ARG C C 47 175.719 175.023 0.696 1
1 600 . 17 1 1 A 49 49 ARG CA C 47 57.084 55.871 1.213 1
1 601 . 17 1 1 A 49 49 ARG CB C 47 31.785 31.040 0.745 1
1 604 . 17 1 1 A 49 49 ARG N N 47 120.017 119.880 0.137 1
1 605 . 17 1 1 A 50 50 GLN H H 48 8.617 8.761 -0.144 1
1 606 . 17 1 1 A 50 50 GLN HA H 48 5.212 4.908 0.304 1
1 613 . 17 1 1 A 50 50 GLN C C 48 175.697 175.632 0.065 1
1 614 . 17 1 1 A 50 50 GLN CA C 48 55.454 55.034 0.420 1
1 615 . 17 1 1 A 50 50 GLN CB C 48 30.953 30.340 0.613 1
1 617 . 17 1 1 A 50 50 GLN N N 48 123.029 123.044 -0.015 1
1 619 . 17 1 1 A 51 51 VAL H H 49 9.009 9.303 -0.294 1
1 620 . 17 1 1 A 51 51 VAL HA H 49 4.747 5.003 -0.256 1
1 628 . 17 1 1 A 51 51 VAL C C 49 174.561 174.784 -0.223 1
1 629 . 17 1 1 A 51 51 VAL CA C 49 59.266 58.783 0.483 1
1 630 . 17 1 1 A 51 51 VAL CB C 49 35.845 35.610 0.235 1
1 633 . 17 1 1 A 51 51 VAL N N 49 119.358 119.289 0.069 1
1 634 . 17 1 1 A 52 52 CYS H H 50 8.850 8.674 0.176 1
1 635 . 17 1 1 A 52 52 CYS HA H 50 5.605 5.783 -0.178 1
1 638 . 17 1 1 A 52 52 CYS C C 50 174.469 172.547 1.922 1
1 639 . 17 1 1 A 52 52 CYS CA C 50 56.377 54.363 2.014 1
1 640 . 17 1 1 A 52 52 CYS CB C 50 44.694 44.295 0.399 1
1 641 . 17 1 1 A 52 52 CYS N N 50 120.834 119.333 1.501 1
1 642 . 17 1 1 A 53 53 ILE H H 51 8.656 9.414 -0.758 1
1 643 . 17 1 1 A 53 53 ILE HA H 51 4.461 4.735 -0.274 1
1 653 . 17 1 1 A 53 53 ILE C C 51 174.137 174.739 -0.602 1
1 654 . 17 1 1 A 53 53 ILE CA C 51 59.671 60.072 -0.401 1
1 655 . 17 1 1 A 53 53 ILE CB C 51 39.603 41.759 -2.156 1
1 659 . 17 1 1 A 53 53 ILE N N 51 122.740 124.043 -1.303 1
1 660 . 17 1 1 A 54 54 ASP H H 52 7.746 8.054 -0.308 1
1 661 . 17 1 1 A 54 54 ASP HA H 52 3.650 4.212 -0.562 1
1 664 . 17 1 1 A 54 54 ASP CA C 52 51.578 51.448 0.130 1
1 665 . 17 1 1 A 54 54 ASP CB C 52 42.384 41.961 0.423 1
1 666 . 17 1 1 A 54 54 ASP N N 52 126.398 126.670 -0.272 1
1 667 . 17 1 1 A 55 55 PRO HA H 53 3.990 4.166 -0.176 1
1 674 . 17 1 1 A 55 55 PRO C C 53 176.274 177.115 -0.841 1
1 675 . 17 1 1 A 55 55 PRO CA C 53 63.546 64.298 -0.752 1
1 676 . 17 1 1 A 55 55 PRO CB C 53 32.272 31.839 0.433 1
1 679 . 17 1 1 A 56 56 LYS H H 54 8.054 8.431 -0.377 1
1 680 . 17 1 1 A 56 56 LYS HA H 54 3.954 4.254 -0.300 1
1 689 . 17 1 1 A 56 56 LYS C C 54 177.867 176.620 1.247 1
1 690 . 17 1 1 A 56 56 LYS CA C 54 56.189 55.944 0.245 1
1 691 . 17 1 1 A 56 56 LYS CB C 54 31.680 32.024 -0.344 1
1 695 . 17 1 1 A 56 56 LYS N N 54 115.161 115.376 -0.215 1
1 696 . 17 1 1 A 57 57 LEU H H 55 7.172 7.010 0.162 1
1 697 . 17 1 1 A 57 57 LEU HA H 55 4.021 4.172 -0.151 1
1 707 . 17 1 1 A 57 57 LEU C C 55 179.221 177.637 1.584 1
1 708 . 17 1 1 A 57 57 LEU CA C 55 55.781 55.282 0.499 1
1 709 . 17 1 1 A 57 57 LEU CB C 55 41.739 42.140 -0.401 1
1 713 . 17 1 1 A 57 57 LEU N N 55 120.921 123.253 -2.332 1
1 714 . 17 1 1 A 58 58 LYS H H 56 8.753 8.936 -0.183 1
1 715 . 17 1 1 A 58 58 LYS HA H 56 3.898 3.859 0.039 1
1 724 . 17 1 1 A 58 58 LYS C C 56 179.161 178.281 0.880 1
1 725 . 17 1 1 A 58 58 LYS CA C 56 60.318 59.675 0.643 1
1 726 . 17 1 1 A 58 58 LYS CB C 56 32.100 32.085 0.015 1
1 730 . 17 1 1 A 58 58 LYS N N 56 125.449 123.927 1.522 1
1 731 . 17 1 1 A 59 59 TRP H H 57 7.889 8.333 -0.444 1
1 732 . 17 1 1 A 59 59 TRP HA H 57 4.612 4.576 0.036 1
1 741 . 17 1 1 A 59 59 TRP C C 57 178.642 178.815 -0.173 1
1 742 . 17 1 1 A 59 59 TRP CA C 57 58.388 59.527 -1.139 1
1 743 . 17 1 1 A 59 59 TRP CB C 57 27.954 27.854 0.100 1
1 749 . 17 1 1 A 59 59 TRP N N 57 113.858 119.227 -5.369 1
1 751 . 17 1 1 A 60 60 ILE H H 58 6.296 7.513 -1.217 1
1 752 . 17 1 1 A 60 60 ILE HA H 58 3.627 3.429 0.198 1
1 762 . 17 1 1 A 60 60 ILE C C 58 177.104 177.736 -0.632 1
1 763 . 17 1 1 A 60 60 ILE CA C 58 61.605 64.144 -2.539 1
1 764 . 17 1 1 A 60 60 ILE CB C 58 36.043 36.041 0.002 1
1 768 . 17 1 1 A 60 60 ILE N N 58 123.265 121.565 1.700 1
1 769 . 17 1 1 A 61 61 GLN H H 59 7.650 8.662 -1.012 1
1 770 . 17 1 1 A 61 61 GLN HA H 59 3.811 3.983 -0.172 1
1 777 . 17 1 1 A 61 61 GLN C C 59 178.933 179.042 -0.109 1
1 778 . 17 1 1 A 61 61 GLN CA C 59 59.663 59.132 0.531 1
1 779 . 17 1 1 A 61 61 GLN CB C 59 27.972 27.924 0.048 1
1 781 . 17 1 1 A 61 61 GLN N N 59 120.850 119.287 1.563 1
1 783 . 17 1 1 A 62 62 GLU H H 60 8.057 7.734 0.323 1
1 784 . 17 1 1 A 62 62 GLU HA H 60 4.081 4.037 0.044 1
1 789 . 17 1 1 A 62 62 GLU C C 60 178.539 178.612 -0.073 1
1 790 . 17 1 1 A 62 62 GLU CA C 60 59.152 59.195 -0.043 1
1 791 . 17 1 1 A 62 62 GLU CB C 60 29.896 29.535 0.361 1
1 793 . 17 1 1 A 62 62 GLU N N 60 117.976 120.973 -2.997 1
1 794 . 17 1 1 A 63 63 TYR H H 61 8.004 8.429 -0.425 1
1 795 . 17 1 1 A 63 63 TYR HA H 61 4.216 4.135 0.081 1
1 802 . 17 1 1 A 63 63 TYR C C 61 178.157 177.008 1.149 1
1 803 . 17 1 1 A 63 63 TYR CA C 61 61.281 61.218 0.063 1
1 804 . 17 1 1 A 63 63 TYR CB C 61 38.956 38.621 0.335 1
1 807 . 17 1 1 A 63 63 TYR N N 61 120.743 122.307 -1.564 1
1 808 . 17 1 1 A 64 64 LEU H H 62 8.460 8.875 -0.415 1
1 809 . 17 1 1 A 64 64 LEU HA H 62 3.850 3.659 0.191 1
1 819 . 17 1 1 A 64 64 LEU C C 62 178.678 179.307 -0.629 1
1 820 . 17 1 1 A 64 64 LEU CA C 62 57.619 57.351 0.268 1
1 821 . 17 1 1 A 64 64 LEU CB C 62 41.868 41.214 0.654 1
1 825 . 17 1 1 A 64 64 LEU N N 62 119.052 119.087 -0.035 1
1 826 . 17 1 1 A 65 65 GLU H H 63 7.850 8.293 -0.443 1
1 827 . 17 1 1 A 65 65 GLU HA H 63 3.974 3.865 0.109 1
1 832 . 17 1 1 A 65 65 GLU C C 63 178.447 178.453 -0.006 1
1 833 . 17 1 1 A 65 65 GLU CA C 63 59.143 59.771 -0.628 1
1 834 . 17 1 1 A 65 65 GLU CB C 63 29.721 29.150 0.571 1
1 836 . 17 1 1 A 65 65 GLU N N 63 118.310 120.751 -2.441 1
1 837 . 17 1 1 A 66 66 LYS H H 64 7.648 8.169 -0.521 1
1 838 . 17 1 1 A 66 66 LYS HA H 64 4.156 3.987 0.169 1
1 847 . 17 1 1 A 66 66 LYS C C 64 177.941 178.581 -0.640 1
1 848 . 17 1 1 A 66 66 LYS CA C 64 57.820 59.511 -1.691 1
1 849 . 17 1 1 A 66 66 LYS CB C 64 32.620 32.395 0.225 1
1 853 . 17 1 1 A 66 66 LYS N N 64 117.638 119.761 -2.123 1
1 854 . 17 1 1 A 67 67 ALA H H 65 8.004 8.279 -0.275 1
1 855 . 17 1 1 A 67 67 ALA HA H 65 4.068 3.910 0.158 1
1 859 . 17 1 1 A 67 67 ALA C C 65 178.624 180.404 -1.780 1
1 860 . 17 1 1 A 67 67 ALA CA C 65 53.790 54.633 -0.843 1
1 861 . 17 1 1 A 67 67 ALA CB C 65 19.082 18.331 0.751 1
1 862 . 17 1 1 A 67 67 ALA N N 65 121.228 120.443 0.785 1
1 863 . 17 1 1 A 68 68 LEU H H 66 7.791 8.054 -0.263 1
1 864 . 17 1 1 A 68 68 LEU HA H 66 4.274 4.019 0.255 1
1 874 . 17 1 1 A 68 68 LEU CA C 66 55.593 57.596 -2.003 1
1 875 . 17 1 1 A 68 68 LEU CB C 66 42.329 41.429 0.900 1
1 878 . 17 1 1 A 68 68 LEU N N 66 116.882 120.071 -3.189 1
1 879 . 17 1 1 A 69 69 ASN H H 67 7.914 8.347 -0.433 1
1 880 . 17 1 1 A 69 69 ASN HA H 67 4.803 4.503 0.300 1
1 885 . 17 1 1 A 69 69 ASN C C 67 174.039 177.322 -3.283 1
1 886 . 17 1 1 A 69 69 ASN CA C 67 53.434 55.433 -1.999 1
1 887 . 17 1 1 A 69 69 ASN CB C 67 39.601 38.585 1.016 1
1 888 . 17 1 1 A 69 69 ASN N N 67 118.309 117.637 0.672 1
1 18 . 18 1 1 A 4 4 PRO HA H 2 4.416 4.400 0.016 1
1 25 . 18 1 1 A 4 4 PRO C C 2 176.996 175.921 1.075 1
1 26 . 18 1 1 A 4 4 PRO CA C 2 63.494 63.486 0.008 1
1 27 . 18 1 1 A 4 4 PRO CB C 2 32.161 32.092 0.069 1
1 30 . 18 1 1 A 5 5 VAL H H 3 8.227 8.264 -0.037 1
1 31 . 18 1 1 A 5 5 VAL HA H 3 4.058 4.985 -0.927 1
1 39 . 18 1 1 A 5 5 VAL C C 3 176.376 174.852 1.524 1
1 40 . 18 1 1 A 5 5 VAL CA C 3 62.495 59.347 3.148 1
1 41 . 18 1 1 A 5 5 VAL CB C 3 32.808 35.844 -3.036 1
1 43 . 18 1 1 A 5 5 VAL N N 3 121.008 117.607 3.401 1
1 44 . 18 1 1 A 6 6 SER H H 4 8.270 8.576 -0.306 1
1 45 . 18 1 1 A 6 6 SER HA H 4 4.409 4.698 -0.289 1
1 48 . 18 1 1 A 6 6 SER C C 4 174.577 173.249 1.328 1
1 49 . 18 1 1 A 6 6 SER CA C 4 58.148 58.464 -0.316 1
1 50 . 18 1 1 A 6 6 SER CB C 4 63.870 63.197 0.673 1
1 51 . 18 1 1 A 6 6 SER N N 4 119.573 118.781 0.792 1
1 52 . 18 1 1 A 7 7 LEU H H 5 8.273 8.976 -0.703 1
1 53 . 18 1 1 A 7 7 LEU HA H 5 4.320 5.095 -0.775 1
1 63 . 18 1 1 A 7 7 LEU C C 5 177.341 174.683 2.658 1
1 64 . 18 1 1 A 7 7 LEU CA C 5 55.388 53.602 1.786 1
1 65 . 18 1 1 A 7 7 LEU CB C 5 42.650 44.665 -2.015 1
1 68 . 18 1 1 A 7 7 LEU N N 5 125.039 130.029 -4.990 1
1 69 . 18 1 1 A 8 8 SER H H 6 8.127 8.895 -0.768 1
1 70 . 18 1 1 A 8 8 SER HA H 6 4.335 5.220 -0.885 1
1 73 . 18 1 1 A 8 8 SER C C 6 174.189 173.103 1.086 1
1 74 . 18 1 1 A 8 8 SER CA C 6 58.433 55.840 2.593 1
1 75 . 18 1 1 A 8 8 SER CB C 6 63.870 65.769 -1.899 1
1 76 . 18 1 1 A 8 8 SER N N 6 116.154 122.595 -6.441 1
1 77 . 18 1 1 A 9 9 TYR H H 7 7.971 8.854 -0.883 1
1 78 . 18 1 1 A 9 9 TYR HA H 7 4.502 4.507 -0.005 1
1 85 . 18 1 1 A 9 9 TYR C C 7 175.520 175.267 0.253 1
1 86 . 18 1 1 A 9 9 TYR CA C 7 58.008 59.736 -1.728 1
1 87 . 18 1 1 A 9 9 TYR CB C 7 38.956 39.035 -0.079 1
1 90 . 18 1 1 A 9 9 TYR N N 7 122.213 127.489 -5.276 1
1 91 . 18 1 1 A 10 10 ARG H H 8 8.118 8.365 -0.247 1
1 92 . 18 1 1 A 10 10 ARG HA H 8 4.253 4.862 -0.609 1
1 99 . 18 1 1 A 10 10 ARG C C 8 175.918 175.021 0.897 1
1 100 . 18 1 1 A 10 10 ARG CA C 8 56.104 53.921 2.183 1
1 101 . 18 1 1 A 10 10 ARG CB C 8 30.875 31.366 -0.491 1
1 104 . 18 1 1 A 10 10 ARG N N 8 122.182 122.051 0.131 1
1 105 . 18 1 1 A 11 11 CYS H H 9 8.097 8.580 -0.483 1
1 106 . 18 1 1 A 11 11 CYS HA H 9 4.909 4.919 -0.010 1
1 109 . 18 1 1 A 11 11 CYS C C 9 173.615 173.627 -0.012 1
1 110 . 18 1 1 A 11 11 CYS CA C 9 53.127 54.032 -0.905 1
1 111 . 18 1 1 A 11 11 CYS CB C 9 40.218 43.591 -3.373 1
1 112 . 18 1 1 A 11 11 CYS N N 9 121.280 118.640 2.640 1
1 113 . 18 1 1 A 12 12 PRO HA H 10 4.275 4.256 0.019 1
1 120 . 18 1 1 A 12 12 PRO C C 10 177.703 176.636 1.067 1
1 121 . 18 1 1 A 12 12 PRO CA C 10 64.859 64.865 -0.006 1
1 122 . 18 1 1 A 12 12 PRO CB C 10 32.508 31.454 1.054 1
1 125 . 18 1 1 A 13 13 CYS H H 11 8.248 7.657 0.591 1
1 126 . 18 1 1 A 13 13 CYS HA H 11 4.827 4.778 0.049 1
1 129 . 18 1 1 A 13 13 CYS C C 11 174.202 172.748 1.454 1
1 130 . 18 1 1 A 13 13 CYS CA C 11 53.429 55.203 -1.774 1
1 131 . 18 1 1 A 13 13 CYS CB C 11 39.603 44.499 -4.896 1
1 132 . 18 1 1 A 13 13 CYS N N 11 114.161 115.700 -1.539 1
1 133 . 18 1 1 A 14 14 ARG HA H 12 3.984 4.301 -0.317 1
1 140 . 18 1 1 A 14 14 ARG C C 12 175.202 175.866 -0.664 1
1 141 . 18 1 1 A 14 14 ARG CA C 12 57.293 56.990 0.303 1
1 142 . 18 1 1 A 14 14 ARG CB C 12 31.098 31.316 -0.218 1
1 145 . 18 1 1 A 15 15 PHE H H 13 7.524 7.505 0.019 1
1 146 . 18 1 1 A 15 15 PHE HA H 13 4.488 5.044 -0.556 1
1 154 . 18 1 1 A 15 15 PHE C C 13 174.226 174.081 0.145 1
1 155 . 18 1 1 A 15 15 PHE CA C 13 55.971 54.861 1.110 1
1 156 . 18 1 1 A 15 15 PHE CB C 13 41.059 42.427 -1.368 1
1 160 . 18 1 1 A 15 15 PHE N N 13 116.175 115.413 0.762 1
1 161 . 18 1 1 A 16 16 PHE H H 14 8.309 9.156 -0.847 1
1 162 . 18 1 1 A 16 16 PHE HA H 14 4.794 4.912 -0.118 1
1 170 . 18 1 1 A 16 16 PHE C C 14 175.247 174.519 0.728 1
1 171 . 18 1 1 A 16 16 PHE CA C 14 55.559 56.156 -0.597 1
1 172 . 18 1 1 A 16 16 PHE CB C 14 41.220 43.148 -1.928 1
1 176 . 18 1 1 A 16 16 PHE N N 14 119.656 117.913 1.743 1
1 177 . 18 1 1 A 17 17 GLU H H 15 8.904 9.659 -0.755 1
1 178 . 18 1 1 A 17 17 GLU HA H 15 4.525 4.674 -0.149 1
1 183 . 18 1 1 A 17 17 GLU C C 15 176.747 177.129 -0.382 1
1 184 . 18 1 1 A 17 17 GLU CA C 15 56.012 56.524 -0.512 1
1 185 . 18 1 1 A 17 17 GLU CB C 15 30.894 30.840 0.054 1
1 187 . 18 1 1 A 17 17 GLU N N 15 122.929 124.217 -1.288 1
1 188 . 18 1 1 A 18 18 SER H H 16 8.752 9.276 -0.524 1
1 189 . 18 1 1 A 18 18 SER HA H 16 4.708 4.724 -0.016 1
1 192 . 18 1 1 A 18 18 SER C C 16 174.278 174.787 -0.509 1
1 193 . 18 1 1 A 18 18 SER CA C 16 59.799 57.560 2.239 1
1 194 . 18 1 1 A 18 18 SER CB C 16 64.023 63.795 0.228 1
1 195 . 18 1 1 A 18 18 SER N N 16 119.679 123.327 -3.648 1
1 196 . 18 1 1 A 19 19 HIS H H 17 9.044 7.807 1.237 1
1 197 . 18 1 1 A 19 19 HIS HA H 17 4.873 4.940 -0.067 1
1 202 . 18 1 1 A 19 19 HIS C C 17 174.580 175.036 -0.456 1
1 203 . 18 1 1 A 19 19 HIS CA C 17 56.240 55.487 0.753 1
1 204 . 18 1 1 A 19 19 HIS CB C 17 28.272 30.257 -1.985 1
1 207 . 18 1 1 A 19 19 HIS N N 17 120.269 119.478 0.791 1
1 208 . 18 1 1 A 20 20 VAL H H 18 7.212 7.517 -0.305 1
1 209 . 18 1 1 A 20 20 VAL HA H 18 4.226 4.006 0.220 1
1 217 . 18 1 1 A 20 20 VAL C C 18 174.138 175.377 -1.239 1
1 218 . 18 1 1 A 20 20 VAL CA C 18 61.605 62.796 -1.191 1
1 219 . 18 1 1 A 20 20 VAL CB C 18 34.102 32.607 1.495 1
1 221 . 18 1 1 A 20 20 VAL N N 18 119.528 120.556 -1.028 1
1 222 . 18 1 1 A 21 21 ALA H H 19 8.553 8.186 0.367 1
1 223 . 18 1 1 A 21 21 ALA HA H 19 4.340 4.508 -0.168 1
1 227 . 18 1 1 A 21 21 ALA C C 19 177.514 177.266 0.248 1
1 228 . 18 1 1 A 21 21 ALA CA C 19 50.666 50.504 0.162 1
1 229 . 18 1 1 A 21 21 ALA CB C 19 19.660 20.444 -0.784 1
1 230 . 18 1 1 A 21 21 ALA N N 19 131.180 129.282 1.898 1
1 231 . 18 1 1 A 22 22 ARG H H 20 7.726 8.008 -0.282 1
1 232 . 18 1 1 A 22 22 ARG HA H 20 2.590 2.853 -0.263 1
1 239 . 18 1 1 A 22 22 ARG C C 20 178.531 176.901 1.630 1
1 240 . 18 1 1 A 22 22 ARG CA C 20 59.155 57.852 1.303 1
1 241 . 18 1 1 A 22 22 ARG CB C 20 29.167 29.286 -0.119 1
1 244 . 18 1 1 A 22 22 ARG N N 20 124.436 123.509 0.927 1
1 245 . 18 1 1 A 23 23 ALA H H 21 8.150 7.393 0.757 1
1 246 . 18 1 1 A 23 23 ALA HA H 21 4.019 4.126 -0.107 1
1 250 . 18 1 1 A 23 23 ALA C C 21 177.743 177.641 0.102 1
1 251 . 18 1 1 A 23 23 ALA CA C 21 53.809 53.238 0.571 1
1 252 . 18 1 1 A 23 23 ALA CB C 21 18.688 18.754 -0.066 1
1 253 . 18 1 1 A 23 23 ALA N N 21 117.354 120.956 -3.602 1
1 254 . 18 1 1 A 24 24 ASN H H 22 7.706 7.912 -0.206 1
1 255 . 18 1 1 A 24 24 ASN HA H 22 4.906 4.827 0.079 1
1 260 . 18 1 1 A 24 24 ASN C C 22 174.889 174.941 -0.052 1
1 261 . 18 1 1 A 24 24 ASN CA C 22 52.590 52.446 0.144 1
1 262 . 18 1 1 A 24 24 ASN CB C 22 40.335 38.905 1.430 1
1 263 . 18 1 1 A 24 24 ASN N N 22 112.797 115.318 -2.521 1
1 265 . 18 1 1 A 25 25 VAL H H 23 7.457 7.276 0.181 1
1 266 . 18 1 1 A 25 25 VAL HA H 23 4.326 4.357 -0.031 1
1 274 . 18 1 1 A 25 25 VAL C C 23 174.594 176.089 -1.495 1
1 275 . 18 1 1 A 25 25 VAL CA C 23 62.406 60.456 1.950 1
1 276 . 18 1 1 A 25 25 VAL CB C 23 33.445 33.375 0.070 1
1 278 . 18 1 1 A 25 25 VAL N N 23 118.772 119.708 -0.936 1
1 279 . 18 1 1 A 26 26 LYS H H 24 9.261 9.284 -0.023 1
1 280 . 18 1 1 A 26 26 LYS HA H 24 4.406 4.448 -0.042 1
1 289 . 18 1 1 A 26 26 LYS C C 24 175.247 176.214 -0.967 1
1 290 . 18 1 1 A 26 26 LYS CA C 24 56.483 57.283 -0.800 1
1 291 . 18 1 1 A 26 26 LYS CB C 24 35.023 33.743 1.280 1
1 295 . 18 1 1 A 26 26 LYS N N 24 125.197 123.873 1.324 1
1 296 . 18 1 1 A 27 27 HIS H H 25 7.811 7.594 0.217 1
1 297 . 18 1 1 A 27 27 HIS HA H 25 4.627 4.975 -0.348 1
1 302 . 18 1 1 A 27 27 HIS C C 25 173.157 172.577 0.580 1
1 303 . 18 1 1 A 27 27 HIS CA C 25 55.463 55.696 -0.233 1
1 304 . 18 1 1 A 27 27 HIS CB C 25 31.832 32.637 -0.805 1
1 307 . 18 1 1 A 27 27 HIS N N 25 115.509 118.232 -2.723 1
1 308 . 18 1 1 A 28 28 LEU H H 26 8.311 8.834 -0.523 1
1 309 . 18 1 1 A 28 28 LEU HA H 26 4.991 4.851 0.140 1
1 319 . 18 1 1 A 28 28 LEU C C 26 175.514 175.157 0.357 1
1 320 . 18 1 1 A 28 28 LEU CA C 26 54.662 53.836 0.826 1
1 321 . 18 1 1 A 28 28 LEU CB C 26 45.594 44.232 1.362 1
1 325 . 18 1 1 A 29 29 LYS H H 27 9.003 8.963 0.040 1
1 326 . 18 1 1 A 29 29 LYS HA H 27 4.578 4.881 -0.303 1
1 335 . 18 1 1 A 29 29 LYS C C 27 173.758 174.477 -0.719 1
1 336 . 18 1 1 A 29 29 LYS CA C 27 54.945 54.743 0.202 1
1 337 . 18 1 1 A 29 29 LYS CB C 27 36.358 35.632 0.726 1
1 341 . 18 1 1 A 29 29 LYS N N 27 122.740 126.500 -3.760 1
1 342 . 18 1 1 A 30 30 ILE H H 28 8.526 8.974 -0.448 1
1 343 . 18 1 1 A 30 30 ILE HA H 28 4.623 4.866 -0.243 1
1 353 . 18 1 1 A 30 30 ILE C C 28 175.988 174.741 1.247 1
1 354 . 18 1 1 A 30 30 ILE CA C 28 60.122 59.665 0.457 1
1 355 . 18 1 1 A 30 30 ILE CB C 28 38.795 39.660 -0.865 1
1 359 . 18 1 1 A 30 30 ILE N N 28 123.517 128.273 -4.756 1
1 360 . 18 1 1 A 31 31 LEU H H 29 8.910 9.815 -0.905 1
1 361 . 18 1 1 A 31 31 LEU HA H 29 4.553 5.026 -0.473 1
1 371 . 18 1 1 A 31 31 LEU C C 29 176.005 175.707 0.298 1
1 372 . 18 1 1 A 31 31 LEU CA C 29 53.975 53.432 0.543 1
1 373 . 18 1 1 A 31 31 LEU CB C 29 43.485 44.285 -0.800 1
1 376 . 18 1 1 A 31 31 LEU N N 29 128.881 127.591 1.290 1
1 377 . 18 1 1 A 32 32 ASN H H 30 8.710 9.226 -0.516 1
1 378 . 18 1 1 A 32 32 ASN HA H 30 4.954 5.607 -0.653 1
1 383 . 18 1 1 A 32 32 ASN C C 30 174.462 173.941 0.521 1
1 384 . 18 1 1 A 32 32 ASN CA C 30 52.413 51.469 0.944 1
1 385 . 18 1 1 A 32 32 ASN CB C 30 39.232 39.926 -0.694 1
1 386 . 18 1 1 A 32 32 ASN N N 30 124.019 122.597 1.422 1
1 388 . 18 1 1 A 33 33 THR H H 31 8.094 8.794 -0.700 1
1 389 . 18 1 1 A 33 33 THR HA H 31 4.628 4.809 -0.181 1
1 394 . 18 1 1 A 33 33 THR CA C 31 59.475 59.243 0.232 1
1 395 . 18 1 1 A 33 33 THR CB C 31 70.459 70.299 0.160 1
1 397 . 18 1 1 A 33 33 THR N N 31 118.961 118.746 0.215 1
1 398 . 18 1 1 A 34 34 PRO HA H 32 4.206 4.265 -0.059 1
1 405 . 18 1 1 A 34 34 PRO C C 32 176.814 177.374 -0.560 1
1 406 . 18 1 1 A 34 34 PRO CA C 32 64.445 65.408 -0.963 1
1 407 . 18 1 1 A 34 34 PRO CB C 32 32.170 31.840 0.330 1
1 410 . 18 1 1 A 35 35 ASN H H 33 8.504 8.531 -0.027 1
1 411 . 18 1 1 A 35 35 ASN HA H 33 4.342 4.951 -0.609 1
1 416 . 18 1 1 A 35 35 ASN C C 33 174.344 175.952 -1.608 1
1 417 . 18 1 1 A 35 35 ASN CA C 33 54.945 52.452 2.493 1
1 418 . 18 1 1 A 35 35 ASN CB C 33 38.122 39.714 -1.592 1
1 419 . 18 1 1 A 35 35 ASN N N 33 113.042 112.036 1.006 1
1 421 . 18 1 1 A 36 36 CYS H H 34 7.526 7.606 -0.080 1
1 422 . 18 1 1 A 36 36 CYS HA H 34 4.878 4.725 0.153 1
1 425 . 18 1 1 A 36 36 CYS C C 34 173.880 174.287 -0.407 1
1 426 . 18 1 1 A 36 36 CYS CA C 34 54.622 55.683 -1.061 1
1 427 . 18 1 1 A 36 36 CYS CB C 34 44.780 43.319 1.461 1
1 428 . 18 1 1 A 36 36 CYS N N 34 116.301 117.016 -0.715 1
1 429 . 18 1 1 A 37 37 ALA H H 35 8.395 7.700 0.695 1
1 430 . 18 1 1 A 37 37 ALA HA H 35 4.205 4.063 0.142 1
1 434 . 18 1 1 A 37 37 ALA C C 35 176.677 177.011 -0.334 1
1 435 . 18 1 1 A 37 37 ALA CA C 35 52.413 54.319 -1.906 1
1 436 . 18 1 1 A 37 37 ALA CB C 35 18.968 17.841 1.127 1
1 437 . 18 1 1 A 37 37 ALA N N 35 125.001 122.940 2.061 1
1 438 . 18 1 1 A 38 38 LEU H H 36 8.004 8.311 -0.307 1
1 439 . 18 1 1 A 38 38 LEU HA H 36 4.206 5.182 -0.976 1
1 449 . 18 1 1 A 38 38 LEU C C 36 176.194 175.555 0.639 1
1 450 . 18 1 1 A 38 38 LEU CA C 36 56.563 53.380 3.183 1
1 451 . 18 1 1 A 38 38 LEU CB C 36 42.465 43.155 -0.690 1
1 455 . 18 1 1 A 38 38 LEU N N 36 121.548 117.534 4.014 1
1 456 . 18 1 1 A 39 39 GLN H H 37 8.471 9.228 -0.757 1
1 457 . 18 1 1 A 39 39 GLN HA H 37 4.621 5.042 -0.421 1
1 464 . 18 1 1 A 39 39 GLN C C 37 173.581 174.484 -0.903 1
1 465 . 18 1 1 A 39 39 GLN CA C 37 54.172 54.487 -0.315 1
1 466 . 18 1 1 A 39 39 GLN CB C 37 32.461 31.587 0.874 1
1 468 . 18 1 1 A 39 39 GLN N N 37 123.271 119.661 3.610 1
1 470 . 18 1 1 A 40 40 ILE H H 38 9.429 8.505 0.924 1
1 471 . 18 1 1 A 40 40 ILE HA H 38 4.718 4.765 -0.047 1
1 481 . 18 1 1 A 40 40 ILE C C 38 174.547 175.401 -0.854 1
1 482 . 18 1 1 A 40 40 ILE CA C 38 60.122 60.003 0.119 1
1 483 . 18 1 1 A 40 40 ILE CB C 38 38.899 39.036 -0.137 1
1 487 . 18 1 1 A 40 40 ILE N N 38 124.702 124.563 0.139 1
1 488 . 18 1 1 A 41 41 VAL H H 39 8.872 9.264 -0.392 1
1 489 . 18 1 1 A 41 41 VAL HA H 39 5.027 4.920 0.107 1
1 497 . 18 1 1 A 41 41 VAL C C 39 174.772 174.818 -0.046 1
1 498 . 18 1 1 A 41 41 VAL CA C 39 60.111 61.107 -0.996 1
1 499 . 18 1 1 A 41 41 VAL CB C 39 34.767 33.592 1.175 1
1 501 . 18 1 1 A 41 41 VAL N N 39 124.441 128.484 -4.043 1
1 502 . 18 1 1 A 42 42 ALA H H 40 9.305 9.174 0.131 1
1 503 . 18 1 1 A 42 42 ALA HA H 40 5.289 5.355 -0.066 1
1 507 . 18 1 1 A 42 42 ALA C C 40 175.955 176.074 -0.119 1
1 508 . 18 1 1 A 42 42 ALA CA C 40 50.093 50.804 -0.711 1
1 509 . 18 1 1 A 42 42 ALA CB C 40 24.063 23.158 0.905 1
1 510 . 18 1 1 A 42 42 ALA N N 40 126.567 128.473 -1.906 1
1 511 . 18 1 1 A 43 43 ARG H H 41 8.393 8.381 0.012 1
1 512 . 18 1 1 A 43 43 ARG HA H 41 5.119 5.246 -0.127 1
1 519 . 18 1 1 A 43 43 ARG C C 41 176.184 175.767 0.417 1
1 520 . 18 1 1 A 43 43 ARG CA C 41 53.900 54.858 -0.958 1
1 521 . 18 1 1 A 43 43 ARG CB C 41 32.306 32.377 -0.071 1
1 524 . 18 1 1 A 43 43 ARG N N 41 118.991 121.810 -2.819 1
1 525 . 18 1 1 A 44 44 LEU H H 42 9.010 9.083 -0.073 1
1 526 . 18 1 1 A 44 44 LEU HA H 42 4.934 4.950 -0.016 1
1 536 . 18 1 1 A 44 44 LEU C C 42 178.369 177.336 1.033 1
1 537 . 18 1 1 A 44 44 LEU CA C 42 54.329 54.083 0.246 1
1 538 . 18 1 1 A 44 44 LEU CB C 42 41.497 42.413 -0.916 1
1 542 . 18 1 1 A 44 44 LEU N N 42 125.764 124.770 0.994 1
1 543 . 18 1 1 A 45 45 LYS H H 43 8.474 9.612 -1.138 1
1 544 . 18 1 1 A 45 45 LYS HA H 43 3.821 4.084 -0.263 1
1 553 . 18 1 1 A 45 45 LYS CA C 43 59.340 58.730 0.610 1
1 554 . 18 1 1 A 45 45 LYS CB C 43 33.445 32.817 0.628 1
1 558 . 18 1 1 A 45 45 LYS N N 43 120.489 122.266 -1.777 1
1 559 . 18 1 1 A 46 46 ASN H H 44 8.657 7.862 0.795 1
1 560 . 18 1 1 A 46 46 ASN HA H 44 4.433 4.450 -0.017 1
1 565 . 18 1 1 A 46 46 ASN C C 44 175.970 177.522 -1.552 1
1 566 . 18 1 1 A 46 46 ASN CA C 44 55.457 56.172 -0.715 1
1 567 . 18 1 1 A 46 46 ASN CB C 44 37.507 38.816 -1.309 1
1 569 . 18 1 1 A 47 47 ASN H H 45 7.566 7.881 -0.315 1
1 570 . 18 1 1 A 47 47 ASN HA H 45 4.654 4.785 -0.131 1
1 575 . 18 1 1 A 47 47 ASN C C 45 175.461 175.074 0.387 1
1 576 . 18 1 1 A 47 47 ASN CA C 45 52.769 54.604 -1.835 1
1 577 . 18 1 1 A 47 47 ASN CB C 45 39.203 39.158 0.045 1
1 578 . 18 1 1 A 47 47 ASN N N 45 115.277 116.463 -1.186 1
1 580 . 18 1 1 A 48 48 ASN H H 46 8.008 7.992 0.016 1
1 581 . 18 1 1 A 48 48 ASN HA H 46 4.649 4.607 0.042 1
1 586 . 18 1 1 A 48 48 ASN C C 46 174.812 174.082 0.730 1
1 587 . 18 1 1 A 48 48 ASN CA C 46 54.491 54.568 -0.077 1
1 588 . 18 1 1 A 48 48 ASN CB C 46 39.092 38.177 0.915 1
1 589 . 18 1 1 A 48 48 ASN N N 46 116.416 117.599 -1.183 1
1 591 . 18 1 1 A 49 49 ARG H H 47 7.918 7.883 0.035 1
1 592 . 18 1 1 A 49 49 ARG HA H 47 4.206 4.355 -0.149 1
1 599 . 18 1 1 A 49 49 ARG C C 47 175.719 175.035 0.684 1
1 600 . 18 1 1 A 49 49 ARG CA C 47 57.084 56.150 0.934 1
1 601 . 18 1 1 A 49 49 ARG CB C 47 31.785 31.124 0.661 1
1 604 . 18 1 1 A 49 49 ARG N N 47 120.017 120.266 -0.249 1
1 605 . 18 1 1 A 50 50 GLN H H 48 8.617 8.632 -0.015 1
1 606 . 18 1 1 A 50 50 GLN HA H 48 5.212 5.058 0.154 1
1 613 . 18 1 1 A 50 50 GLN C C 48 175.697 175.451 0.246 1
1 614 . 18 1 1 A 50 50 GLN CA C 48 55.454 54.738 0.716 1
1 615 . 18 1 1 A 50 50 GLN CB C 48 30.953 30.680 0.273 1
1 617 . 18 1 1 A 50 50 GLN N N 48 123.029 122.633 0.396 1
1 619 . 18 1 1 A 51 51 VAL H H 49 9.009 9.404 -0.395 1
1 620 . 18 1 1 A 51 51 VAL HA H 49 4.747 4.939 -0.192 1
1 628 . 18 1 1 A 51 51 VAL C C 49 174.561 174.538 0.023 1
1 629 . 18 1 1 A 51 51 VAL CA C 49 59.266 58.992 0.274 1
1 630 . 18 1 1 A 51 51 VAL CB C 49 35.845 35.039 0.806 1
1 633 . 18 1 1 A 51 51 VAL N N 49 119.358 119.861 -0.503 1
1 634 . 18 1 1 A 52 52 CYS H H 50 8.850 8.543 0.307 1
1 635 . 18 1 1 A 52 52 CYS HA H 50 5.605 5.755 -0.150 1
1 638 . 18 1 1 A 52 52 CYS C C 50 174.469 172.762 1.707 1
1 639 . 18 1 1 A 52 52 CYS CA C 50 56.377 54.660 1.717 1
1 640 . 18 1 1 A 52 52 CYS CB C 50 44.694 43.896 0.798 1
1 641 . 18 1 1 A 52 52 CYS N N 50 120.834 119.571 1.263 1
1 642 . 18 1 1 A 53 53 ILE H H 51 8.656 9.582 -0.926 1
1 643 . 18 1 1 A 53 53 ILE HA H 51 4.461 4.767 -0.306 1
1 653 . 18 1 1 A 53 53 ILE C C 51 174.137 173.958 0.179 1
1 654 . 18 1 1 A 53 53 ILE CA C 51 59.671 59.853 -0.182 1
1 655 . 18 1 1 A 53 53 ILE CB C 51 39.603 41.756 -2.153 1
1 659 . 18 1 1 A 53 53 ILE N N 51 122.740 124.360 -1.620 1
1 660 . 18 1 1 A 54 54 ASP H H 52 7.746 8.088 -0.342 1
1 661 . 18 1 1 A 54 54 ASP HA H 52 3.650 4.228 -0.578 1
1 664 . 18 1 1 A 54 54 ASP CA C 52 51.578 51.453 0.125 1
1 665 . 18 1 1 A 54 54 ASP CB C 52 42.384 42.479 -0.095 1
1 666 . 18 1 1 A 54 54 ASP N N 52 126.398 126.082 0.316 1
1 667 . 18 1 1 A 55 55 PRO HA H 53 3.990 4.126 -0.136 1
1 674 . 18 1 1 A 55 55 PRO C C 53 176.274 177.540 -1.266 1
1 675 . 18 1 1 A 55 55 PRO CA C 53 63.546 64.190 -0.644 1
1 676 . 18 1 1 A 55 55 PRO CB C 53 32.272 31.763 0.509 1
1 679 . 18 1 1 A 56 56 LYS H H 54 8.054 8.827 -0.773 1
1 680 . 18 1 1 A 56 56 LYS HA H 54 3.954 4.074 -0.120 1
1 689 . 18 1 1 A 56 56 LYS C C 54 177.867 176.978 0.889 1
1 690 . 18 1 1 A 56 56 LYS CA C 54 56.189 57.782 -1.593 1
1 691 . 18 1 1 A 56 56 LYS CB C 54 31.680 31.417 0.263 1
1 695 . 18 1 1 A 56 56 LYS N N 54 115.161 115.838 -0.677 1
1 696 . 18 1 1 A 57 57 LEU H H 55 7.172 7.076 0.096 1
1 697 . 18 1 1 A 57 57 LEU HA H 55 4.021 4.109 -0.088 1
1 707 . 18 1 1 A 57 57 LEU C C 55 179.221 177.499 1.722 1
1 708 . 18 1 1 A 57 57 LEU CA C 55 55.781 55.238 0.543 1
1 709 . 18 1 1 A 57 57 LEU CB C 55 41.739 41.653 0.086 1
1 713 . 18 1 1 A 57 57 LEU N N 55 120.921 122.592 -1.671 1
1 714 . 18 1 1 A 58 58 LYS H H 56 8.753 8.814 -0.061 1
1 715 . 18 1 1 A 58 58 LYS HA H 56 3.898 3.901 -0.003 1
1 724 . 18 1 1 A 58 58 LYS C C 56 179.161 178.177 0.984 1
1 725 . 18 1 1 A 58 58 LYS CA C 56 60.318 59.541 0.777 1
1 726 . 18 1 1 A 58 58 LYS CB C 56 32.100 32.081 0.019 1
1 730 . 18 1 1 A 58 58 LYS N N 56 125.449 124.957 0.492 1
1 731 . 18 1 1 A 59 59 TRP H H 57 7.889 8.342 -0.453 1
1 732 . 18 1 1 A 59 59 TRP HA H 57 4.612 4.527 0.085 1
1 741 . 18 1 1 A 59 59 TRP C C 57 178.642 179.271 -0.629 1
1 742 . 18 1 1 A 59 59 TRP CA C 57 58.388 59.727 -1.339 1
1 743 . 18 1 1 A 59 59 TRP CB C 57 27.954 27.968 -0.014 1
1 749 . 18 1 1 A 59 59 TRP N N 57 113.858 119.139 -5.281 1
1 751 . 18 1 1 A 60 60 ILE H H 58 6.296 7.436 -1.140 1
1 752 . 18 1 1 A 60 60 ILE HA H 58 3.627 3.414 0.213 1
1 762 . 18 1 1 A 60 60 ILE C C 58 177.104 177.673 -0.569 1
1 763 . 18 1 1 A 60 60 ILE CA C 58 61.605 64.322 -2.717 1
1 764 . 18 1 1 A 60 60 ILE CB C 58 36.043 36.518 -0.475 1
1 768 . 18 1 1 A 60 60 ILE N N 58 123.265 122.118 1.147 1
1 769 . 18 1 1 A 61 61 GLN H H 59 7.650 8.526 -0.876 1
1 770 . 18 1 1 A 61 61 GLN HA H 59 3.811 3.853 -0.042 1
1 777 . 18 1 1 A 61 61 GLN C C 59 178.933 178.880 0.053 1
1 778 . 18 1 1 A 61 61 GLN CA C 59 59.663 59.313 0.350 1
1 779 . 18 1 1 A 61 61 GLN CB C 59 27.972 28.285 -0.313 1
1 781 . 18 1 1 A 61 61 GLN N N 59 120.850 118.649 2.201 1
1 783 . 18 1 1 A 62 62 GLU H H 60 8.057 8.163 -0.106 1
1 784 . 18 1 1 A 62 62 GLU HA H 60 4.081 4.102 -0.021 1
1 789 . 18 1 1 A 62 62 GLU C C 60 178.539 178.419 0.120 1
1 790 . 18 1 1 A 62 62 GLU CA C 60 59.152 59.117 0.035 1
1 791 . 18 1 1 A 62 62 GLU CB C 60 29.896 29.647 0.249 1
1 793 . 18 1 1 A 62 62 GLU N N 60 117.976 120.449 -2.473 1
1 794 . 18 1 1 A 63 63 TYR H H 61 8.004 8.100 -0.096 1
1 795 . 18 1 1 A 63 63 TYR HA H 61 4.216 4.266 -0.050 1
1 802 . 18 1 1 A 63 63 TYR C C 61 178.157 177.127 1.030 1
1 803 . 18 1 1 A 63 63 TYR CA C 61 61.281 61.493 -0.212 1
1 804 . 18 1 1 A 63 63 TYR CB C 61 38.956 38.673 0.283 1
1 807 . 18 1 1 A 63 63 TYR N N 61 120.743 122.196 -1.453 1
1 808 . 18 1 1 A 64 64 LEU H H 62 8.460 8.745 -0.285 1
1 809 . 18 1 1 A 64 64 LEU HA H 62 3.850 3.616 0.234 1
1 819 . 18 1 1 A 64 64 LEU C C 62 178.678 179.010 -0.332 1
1 820 . 18 1 1 A 64 64 LEU CA C 62 57.619 57.639 -0.020 1
1 821 . 18 1 1 A 64 64 LEU CB C 62 41.868 41.093 0.775 1
1 825 . 18 1 1 A 64 64 LEU N N 62 119.052 119.895 -0.843 1
1 826 . 18 1 1 A 65 65 GLU H H 63 7.850 8.053 -0.203 1
1 827 . 18 1 1 A 65 65 GLU HA H 63 3.974 3.876 0.098 1
1 832 . 18 1 1 A 65 65 GLU C C 63 178.447 179.032 -0.585 1
1 833 . 18 1 1 A 65 65 GLU CA C 63 59.143 59.759 -0.616 1
1 834 . 18 1 1 A 65 65 GLU CB C 63 29.721 29.488 0.233 1
1 836 . 18 1 1 A 65 65 GLU N N 63 118.310 118.664 -0.354 1
1 837 . 18 1 1 A 66 66 LYS H H 64 7.648 8.306 -0.658 1
1 838 . 18 1 1 A 66 66 LYS HA H 64 4.156 3.954 0.202 1
1 847 . 18 1 1 A 66 66 LYS C C 64 177.941 178.527 -0.586 1
1 848 . 18 1 1 A 66 66 LYS CA C 64 57.820 59.364 -1.544 1
1 849 . 18 1 1 A 66 66 LYS CB C 64 32.620 32.252 0.368 1
1 853 . 18 1 1 A 66 66 LYS N N 64 117.638 120.967 -3.329 1
1 854 . 18 1 1 A 67 67 ALA H H 65 8.004 8.107 -0.103 1
1 855 . 18 1 1 A 67 67 ALA HA H 65 4.068 3.967 0.101 1
1 859 . 18 1 1 A 67 67 ALA C C 65 178.624 180.082 -1.458 1
1 860 . 18 1 1 A 67 67 ALA CA C 65 53.790 54.639 -0.849 1
1 861 . 18 1 1 A 67 67 ALA CB C 65 19.082 18.195 0.887 1
1 862 . 18 1 1 A 67 67 ALA N N 65 121.228 120.295 0.933 1
1 863 . 18 1 1 A 68 68 LEU H H 66 7.791 8.141 -0.350 1
1 864 . 18 1 1 A 68 68 LEU HA H 66 4.274 3.992 0.282 1
1 874 . 18 1 1 A 68 68 LEU CA C 66 55.593 57.574 -1.981 1
1 875 . 18 1 1 A 68 68 LEU CB C 66 42.329 41.633 0.696 1
1 878 . 18 1 1 A 68 68 LEU N N 66 116.882 120.263 -3.381 1
1 879 . 18 1 1 A 69 69 ASN H H 67 7.914 8.162 -0.248 1
1 880 . 18 1 1 A 69 69 ASN HA H 67 4.803 4.457 0.346 1
1 885 . 18 1 1 A 69 69 ASN C C 67 174.039 177.369 -3.330 1
1 886 . 18 1 1 A 69 69 ASN CA C 67 53.434 56.034 -2.600 1
1 887 . 18 1 1 A 69 69 ASN CB C 67 39.601 38.378 1.223 1
1 888 . 18 1 1 A 69 69 ASN N N 67 118.309 117.586 0.723 1
1 18 . 19 1 1 A 4 4 PRO HA H 2 4.416 4.663 -0.247 1
1 25 . 19 1 1 A 4 4 PRO C C 2 176.996 175.706 1.290 1
1 26 . 19 1 1 A 4 4 PRO CA C 2 63.494 63.897 -0.403 1
1 27 . 19 1 1 A 4 4 PRO CB C 2 32.161 32.859 -0.698 1
1 30 . 19 1 1 A 5 5 VAL H H 3 8.227 7.671 0.556 1
1 31 . 19 1 1 A 5 5 VAL HA H 3 4.058 4.285 -0.227 1
1 39 . 19 1 1 A 5 5 VAL C C 3 176.376 175.035 1.341 1
1 40 . 19 1 1 A 5 5 VAL CA C 3 62.495 61.723 0.772 1
1 41 . 19 1 1 A 5 5 VAL CB C 3 32.808 32.645 0.163 1
1 43 . 19 1 1 A 5 5 VAL N N 3 121.008 121.202 -0.194 1
1 44 . 19 1 1 A 6 6 SER H H 4 8.270 8.868 -0.598 1
1 45 . 19 1 1 A 6 6 SER HA H 4 4.409 4.770 -0.361 1
1 48 . 19 1 1 A 6 6 SER C C 4 174.577 173.360 1.217 1
1 49 . 19 1 1 A 6 6 SER CA C 4 58.148 58.070 0.078 1
1 50 . 19 1 1 A 6 6 SER CB C 4 63.870 62.392 1.478 1
1 51 . 19 1 1 A 6 6 SER N N 4 119.573 125.696 -6.123 1
1 52 . 19 1 1 A 7 7 LEU H H 5 8.273 8.277 -0.004 1
1 53 . 19 1 1 A 7 7 LEU HA H 5 4.320 4.556 -0.236 1
1 63 . 19 1 1 A 7 7 LEU C C 5 177.341 177.142 0.199 1
1 64 . 19 1 1 A 7 7 LEU CA C 5 55.388 55.001 0.387 1
1 65 . 19 1 1 A 7 7 LEU CB C 5 42.650 42.592 0.058 1
1 68 . 19 1 1 A 7 7 LEU N N 5 125.039 128.432 -3.393 1
1 69 . 19 1 1 A 8 8 SER H H 6 8.127 9.010 -0.883 1
1 70 . 19 1 1 A 8 8 SER HA H 6 4.335 4.311 0.024 1
1 73 . 19 1 1 A 8 8 SER C C 6 174.189 174.274 -0.085 1
1 74 . 19 1 1 A 8 8 SER CA C 6 58.433 60.836 -2.403 1
1 75 . 19 1 1 A 8 8 SER CB C 6 63.870 63.086 0.784 1
1 76 . 19 1 1 A 8 8 SER N N 6 116.154 123.178 -7.024 1
1 77 . 19 1 1 A 9 9 TYR H H 7 7.971 7.846 0.125 1
1 78 . 19 1 1 A 9 9 TYR HA H 7 4.502 4.727 -0.225 1
1 85 . 19 1 1 A 9 9 TYR C C 7 175.520 175.572 -0.052 1
1 86 . 19 1 1 A 9 9 TYR CA C 7 58.008 58.467 -0.459 1
1 87 . 19 1 1 A 9 9 TYR CB C 7 38.956 39.809 -0.853 1
1 90 . 19 1 1 A 9 9 TYR N N 7 122.213 119.283 2.930 1
1 91 . 19 1 1 A 10 10 ARG H H 8 8.118 9.287 -1.169 1
1 92 . 19 1 1 A 10 10 ARG HA H 8 4.253 5.054 -0.801 1
1 99 . 19 1 1 A 10 10 ARG C C 8 175.918 174.752 1.166 1
1 100 . 19 1 1 A 10 10 ARG CA C 8 56.104 54.510 1.594 1
1 101 . 19 1 1 A 10 10 ARG CB C 8 30.875 32.884 -2.009 1
1 104 . 19 1 1 A 10 10 ARG N N 8 122.182 119.231 2.951 1
1 105 . 19 1 1 A 11 11 CYS H H 9 8.097 8.730 -0.633 1
1 106 . 19 1 1 A 11 11 CYS HA H 9 4.909 5.131 -0.222 1
1 109 . 19 1 1 A 11 11 CYS C C 9 173.615 173.602 0.013 1
1 110 . 19 1 1 A 11 11 CYS CA C 9 53.127 54.243 -1.116 1
1 111 . 19 1 1 A 11 11 CYS CB C 9 40.218 43.671 -3.453 1
1 112 . 19 1 1 A 11 11 CYS N N 9 121.280 121.092 0.188 1
1 113 . 19 1 1 A 12 12 PRO HA H 10 4.275 4.297 -0.022 1
1 120 . 19 1 1 A 12 12 PRO C C 10 177.703 176.614 1.089 1
1 121 . 19 1 1 A 12 12 PRO CA C 10 64.859 65.207 -0.348 1
1 122 . 19 1 1 A 12 12 PRO CB C 10 32.508 31.366 1.142 1
1 125 . 19 1 1 A 13 13 CYS H H 11 8.248 8.596 -0.348 1
1 126 . 19 1 1 A 13 13 CYS HA H 11 4.827 4.645 0.182 1
1 129 . 19 1 1 A 13 13 CYS C C 11 174.202 173.294 0.908 1
1 130 . 19 1 1 A 13 13 CYS CA C 11 53.429 54.632 -1.203 1
1 131 . 19 1 1 A 13 13 CYS CB C 11 39.603 43.657 -4.054 1
1 132 . 19 1 1 A 13 13 CYS N N 11 114.161 115.031 -0.870 1
1 133 . 19 1 1 A 14 14 ARG HA H 12 3.984 4.110 -0.126 1
1 140 . 19 1 1 A 14 14 ARG C C 12 175.202 175.867 -0.665 1
1 141 . 19 1 1 A 14 14 ARG CA C 12 57.293 57.902 -0.609 1
1 142 . 19 1 1 A 14 14 ARG CB C 12 31.098 31.116 -0.018 1
1 145 . 19 1 1 A 15 15 PHE H H 13 7.524 7.562 -0.038 1
1 146 . 19 1 1 A 15 15 PHE HA H 13 4.488 5.220 -0.732 1
1 154 . 19 1 1 A 15 15 PHE C C 13 174.226 173.616 0.610 1
1 155 . 19 1 1 A 15 15 PHE CA C 13 55.971 55.029 0.942 1
1 156 . 19 1 1 A 15 15 PHE CB C 13 41.059 42.418 -1.359 1
1 160 . 19 1 1 A 15 15 PHE N N 13 116.175 113.177 2.998 1
1 161 . 19 1 1 A 16 16 PHE H H 14 8.309 9.020 -0.711 1
1 162 . 19 1 1 A 16 16 PHE HA H 14 4.794 4.951 -0.157 1
1 170 . 19 1 1 A 16 16 PHE C C 14 175.247 174.599 0.648 1
1 171 . 19 1 1 A 16 16 PHE CA C 14 55.559 56.185 -0.626 1
1 172 . 19 1 1 A 16 16 PHE CB C 14 41.220 43.235 -2.015 1
1 176 . 19 1 1 A 16 16 PHE N N 14 119.656 117.500 2.156 1
1 177 . 19 1 1 A 17 17 GLU H H 15 8.904 9.777 -0.873 1
1 178 . 19 1 1 A 17 17 GLU HA H 15 4.525 4.794 -0.269 1
1 183 . 19 1 1 A 17 17 GLU C C 15 176.747 177.237 -0.490 1
1 184 . 19 1 1 A 17 17 GLU CA C 15 56.012 56.385 -0.373 1
1 185 . 19 1 1 A 17 17 GLU CB C 15 30.894 31.460 -0.566 1
1 187 . 19 1 1 A 17 17 GLU N N 15 122.929 124.376 -1.447 1
1 188 . 19 1 1 A 18 18 SER H H 16 8.752 8.722 0.030 1
1 189 . 19 1 1 A 18 18 SER HA H 16 4.708 4.785 -0.077 1
1 192 . 19 1 1 A 18 18 SER C C 16 174.278 175.178 -0.900 1
1 193 . 19 1 1 A 18 18 SER CA C 16 59.799 58.158 1.641 1
1 194 . 19 1 1 A 18 18 SER CB C 16 64.023 64.502 -0.479 1
1 195 . 19 1 1 A 18 18 SER N N 16 119.679 119.332 0.347 1
1 196 . 19 1 1 A 19 19 HIS H H 17 9.044 8.594 0.450 1
1 197 . 19 1 1 A 19 19 HIS HA H 17 4.873 4.852 0.021 1
1 202 . 19 1 1 A 19 19 HIS C C 17 174.580 175.255 -0.675 1
1 203 . 19 1 1 A 19 19 HIS CA C 17 56.240 55.220 1.020 1
1 204 . 19 1 1 A 19 19 HIS CB C 17 28.272 29.739 -1.467 1
1 207 . 19 1 1 A 19 19 HIS N N 17 120.269 119.608 0.661 1
1 208 . 19 1 1 A 20 20 VAL H H 18 7.212 7.370 -0.158 1
1 209 . 19 1 1 A 20 20 VAL HA H 18 4.226 3.953 0.273 1
1 217 . 19 1 1 A 20 20 VAL C C 18 174.138 175.195 -1.057 1
1 218 . 19 1 1 A 20 20 VAL CA C 18 61.605 63.470 -1.865 1
1 219 . 19 1 1 A 20 20 VAL CB C 18 34.102 32.221 1.881 1
1 221 . 19 1 1 A 20 20 VAL N N 18 119.528 120.805 -1.277 1
1 222 . 19 1 1 A 21 21 ALA H H 19 8.553 8.496 0.057 1
1 223 . 19 1 1 A 21 21 ALA HA H 19 4.340 4.532 -0.192 1
1 227 . 19 1 1 A 21 21 ALA C C 19 177.514 177.430 0.084 1
1 228 . 19 1 1 A 21 21 ALA CA C 19 50.666 50.635 0.031 1
1 229 . 19 1 1 A 21 21 ALA CB C 19 19.660 20.220 -0.560 1
1 230 . 19 1 1 A 21 21 ALA N N 19 131.180 130.616 0.564 1
1 231 . 19 1 1 A 22 22 ARG H H 20 7.726 8.005 -0.279 1
1 232 . 19 1 1 A 22 22 ARG HA H 20 2.590 3.208 -0.618 1
1 239 . 19 1 1 A 22 22 ARG C C 20 178.531 177.350 1.181 1
1 240 . 19 1 1 A 22 22 ARG CA C 20 59.155 58.728 0.427 1
1 241 . 19 1 1 A 22 22 ARG CB C 20 29.167 29.002 0.165 1
1 244 . 19 1 1 A 22 22 ARG N N 20 124.436 123.236 1.200 1
1 245 . 19 1 1 A 23 23 ALA H H 21 8.150 7.518 0.632 1
1 246 . 19 1 1 A 23 23 ALA HA H 21 4.019 4.102 -0.083 1
1 250 . 19 1 1 A 23 23 ALA C C 21 177.743 178.239 -0.496 1
1 251 . 19 1 1 A 23 23 ALA CA C 21 53.809 53.581 0.228 1
1 252 . 19 1 1 A 23 23 ALA CB C 21 18.688 18.365 0.323 1
1 253 . 19 1 1 A 23 23 ALA N N 21 117.354 121.028 -3.674 1
1 254 . 19 1 1 A 24 24 ASN H H 22 7.706 7.747 -0.041 1
1 255 . 19 1 1 A 24 24 ASN HA H 22 4.906 4.776 0.130 1
1 260 . 19 1 1 A 24 24 ASN C C 22 174.889 175.223 -0.334 1
1 261 . 19 1 1 A 24 24 ASN CA C 22 52.590 53.436 -0.846 1
1 262 . 19 1 1 A 24 24 ASN CB C 22 40.335 39.228 1.107 1
1 263 . 19 1 1 A 24 24 ASN N N 22 112.797 115.934 -3.137 1
1 265 . 19 1 1 A 25 25 VAL H H 23 7.457 7.501 -0.044 1
1 266 . 19 1 1 A 25 25 VAL HA H 23 4.326 4.288 0.038 1
1 274 . 19 1 1 A 25 25 VAL C C 23 174.594 175.919 -1.325 1
1 275 . 19 1 1 A 25 25 VAL CA C 23 62.406 61.922 0.484 1
1 276 . 19 1 1 A 25 25 VAL CB C 23 33.445 32.965 0.480 1
1 278 . 19 1 1 A 25 25 VAL N N 23 118.772 119.384 -0.612 1
1 279 . 19 1 1 A 26 26 LYS H H 24 9.261 9.449 -0.188 1
1 280 . 19 1 1 A 26 26 LYS HA H 24 4.406 4.458 -0.052 1
1 289 . 19 1 1 A 26 26 LYS C C 24 175.247 176.463 -1.216 1
1 290 . 19 1 1 A 26 26 LYS CA C 24 56.483 57.163 -0.680 1
1 291 . 19 1 1 A 26 26 LYS CB C 24 35.023 33.606 1.417 1
1 295 . 19 1 1 A 26 26 LYS N N 24 125.197 122.031 3.166 1
1 296 . 19 1 1 A 27 27 HIS H H 25 7.811 7.119 0.692 1
1 297 . 19 1 1 A 27 27 HIS HA H 25 4.627 4.866 -0.239 1
1 302 . 19 1 1 A 27 27 HIS C C 25 173.157 172.980 0.177 1
1 303 . 19 1 1 A 27 27 HIS CA C 25 55.463 56.232 -0.769 1
1 304 . 19 1 1 A 27 27 HIS CB C 25 31.832 32.833 -1.001 1
1 307 . 19 1 1 A 27 27 HIS N N 25 115.509 118.082 -2.573 1
1 308 . 19 1 1 A 28 28 LEU H H 26 8.311 8.869 -0.558 1
1 309 . 19 1 1 A 28 28 LEU HA H 26 4.991 5.098 -0.107 1
1 319 . 19 1 1 A 28 28 LEU C C 26 175.514 175.291 0.223 1
1 320 . 19 1 1 A 28 28 LEU CA C 26 54.662 53.083 1.579 1
1 321 . 19 1 1 A 28 28 LEU CB C 26 45.594 44.766 0.828 1
1 325 . 19 1 1 A 29 29 LYS H H 27 9.003 9.256 -0.253 1
1 326 . 19 1 1 A 29 29 LYS HA H 27 4.578 4.844 -0.266 1
1 335 . 19 1 1 A 29 29 LYS C C 27 173.758 174.692 -0.934 1
1 336 . 19 1 1 A 29 29 LYS CA C 27 54.945 54.761 0.184 1
1 337 . 19 1 1 A 29 29 LYS CB C 27 36.358 35.675 0.683 1
1 341 . 19 1 1 A 29 29 LYS N N 27 122.740 122.796 -0.056 1
1 342 . 19 1 1 A 30 30 ILE H H 28 8.526 8.965 -0.439 1
1 343 . 19 1 1 A 30 30 ILE HA H 28 4.623 4.771 -0.148 1
1 353 . 19 1 1 A 30 30 ILE C C 28 175.988 174.430 1.558 1
1 354 . 19 1 1 A 30 30 ILE CA C 28 60.122 60.262 -0.140 1
1 355 . 19 1 1 A 30 30 ILE CB C 28 38.795 38.992 -0.197 1
1 359 . 19 1 1 A 30 30 ILE N N 28 123.517 127.749 -4.232 1
1 360 . 19 1 1 A 31 31 LEU H H 29 8.910 9.732 -0.822 1
1 361 . 19 1 1 A 31 31 LEU HA H 29 4.553 5.208 -0.655 1
1 371 . 19 1 1 A 31 31 LEU C C 29 176.005 175.196 0.809 1
1 372 . 19 1 1 A 31 31 LEU CA C 29 53.975 53.450 0.525 1
1 373 . 19 1 1 A 31 31 LEU CB C 29 43.485 45.328 -1.843 1
1 376 . 19 1 1 A 31 31 LEU N N 29 128.881 130.079 -1.198 1
1 377 . 19 1 1 A 32 32 ASN H H 30 8.710 9.034 -0.324 1
1 378 . 19 1 1 A 32 32 ASN HA H 30 4.954 5.611 -0.657 1
1 383 . 19 1 1 A 32 32 ASN C C 30 174.462 174.383 0.079 1
1 384 . 19 1 1 A 32 32 ASN CA C 30 52.413 51.587 0.826 1
1 385 . 19 1 1 A 32 32 ASN CB C 30 39.232 40.066 -0.834 1
1 386 . 19 1 1 A 32 32 ASN N N 30 124.019 125.009 -0.990 1
1 388 . 19 1 1 A 33 33 THR H H 31 8.094 8.673 -0.579 1
1 389 . 19 1 1 A 33 33 THR HA H 31 4.628 4.710 -0.082 1
1 394 . 19 1 1 A 33 33 THR CA C 31 59.475 59.264 0.211 1
1 395 . 19 1 1 A 33 33 THR CB C 31 70.459 71.679 -1.220 1
1 397 . 19 1 1 A 33 33 THR N N 31 118.961 117.258 1.703 1
1 398 . 19 1 1 A 34 34 PRO HA H 32 4.206 4.325 -0.119 1
1 405 . 19 1 1 A 34 34 PRO C C 32 176.814 177.969 -1.155 1
1 406 . 19 1 1 A 34 34 PRO CA C 32 64.445 65.929 -1.484 1
1 407 . 19 1 1 A 34 34 PRO CB C 32 32.170 31.617 0.553 1
1 410 . 19 1 1 A 35 35 ASN H H 33 8.504 8.558 -0.054 1
1 411 . 19 1 1 A 35 35 ASN HA H 33 4.342 4.528 -0.186 1
1 416 . 19 1 1 A 35 35 ASN C C 33 174.344 176.373 -2.029 1
1 417 . 19 1 1 A 35 35 ASN CA C 33 54.945 54.258 0.687 1
1 418 . 19 1 1 A 35 35 ASN CB C 33 38.122 38.571 -0.449 1
1 419 . 19 1 1 A 35 35 ASN N N 33 113.042 114.185 -1.143 1
1 421 . 19 1 1 A 36 36 CYS H H 34 7.526 7.863 -0.337 1
1 422 . 19 1 1 A 36 36 CYS HA H 34 4.878 4.585 0.293 1
1 425 . 19 1 1 A 36 36 CYS C C 34 173.880 174.256 -0.376 1
1 426 . 19 1 1 A 36 36 CYS CA C 34 54.622 56.045 -1.423 1
1 427 . 19 1 1 A 36 36 CYS CB C 34 44.780 42.782 1.998 1
1 428 . 19 1 1 A 36 36 CYS N N 34 116.301 114.899 1.402 1
1 429 . 19 1 1 A 37 37 ALA H H 35 8.395 7.592 0.803 1
1 430 . 19 1 1 A 37 37 ALA HA H 35 4.205 4.078 0.127 1
1 434 . 19 1 1 A 37 37 ALA C C 35 176.677 176.505 0.172 1
1 435 . 19 1 1 A 37 37 ALA CA C 35 52.413 54.478 -2.065 1
1 436 . 19 1 1 A 37 37 ALA CB C 35 18.968 17.910 1.058 1
1 437 . 19 1 1 A 37 37 ALA N N 35 125.001 123.536 1.465 1
1 438 . 19 1 1 A 38 38 LEU H H 36 8.004 8.361 -0.357 1
1 439 . 19 1 1 A 38 38 LEU HA H 36 4.206 4.630 -0.424 1
1 449 . 19 1 1 A 38 38 LEU C C 36 176.194 174.864 1.330 1
1 450 . 19 1 1 A 38 38 LEU CA C 36 56.563 54.672 1.891 1
1 451 . 19 1 1 A 38 38 LEU CB C 36 42.465 42.722 -0.257 1
1 455 . 19 1 1 A 38 38 LEU N N 36 121.548 121.208 0.340 1
1 456 . 19 1 1 A 39 39 GLN H H 37 8.471 9.423 -0.952 1
1 457 . 19 1 1 A 39 39 GLN HA H 37 4.621 5.024 -0.403 1
1 464 . 19 1 1 A 39 39 GLN C C 37 173.581 174.482 -0.901 1
1 465 . 19 1 1 A 39 39 GLN CA C 37 54.172 54.497 -0.325 1
1 466 . 19 1 1 A 39 39 GLN CB C 37 32.461 31.276 1.185 1
1 468 . 19 1 1 A 39 39 GLN N N 37 123.271 125.882 -2.611 1
1 470 . 19 1 1 A 40 40 ILE H H 38 9.429 8.546 0.883 1
1 471 . 19 1 1 A 40 40 ILE HA H 38 4.718 4.782 -0.064 1
1 481 . 19 1 1 A 40 40 ILE C C 38 174.547 175.411 -0.864 1
1 482 . 19 1 1 A 40 40 ILE CA C 38 60.122 59.850 0.272 1
1 483 . 19 1 1 A 40 40 ILE CB C 38 38.899 39.020 -0.121 1
1 487 . 19 1 1 A 40 40 ILE N N 38 124.702 125.412 -0.710 1
1 488 . 19 1 1 A 41 41 VAL H H 39 8.872 9.108 -0.236 1
1 489 . 19 1 1 A 41 41 VAL HA H 39 5.027 4.870 0.157 1
1 497 . 19 1 1 A 41 41 VAL C C 39 174.772 175.099 -0.327 1
1 498 . 19 1 1 A 41 41 VAL CA C 39 60.111 61.109 -0.998 1
1 499 . 19 1 1 A 41 41 VAL CB C 39 34.767 33.453 1.314 1
1 501 . 19 1 1 A 41 41 VAL N N 39 124.441 128.681 -4.240 1
1 502 . 19 1 1 A 42 42 ALA H H 40 9.305 9.191 0.114 1
1 503 . 19 1 1 A 42 42 ALA HA H 40 5.289 5.366 -0.077 1
1 507 . 19 1 1 A 42 42 ALA C C 40 175.955 175.399 0.556 1
1 508 . 19 1 1 A 42 42 ALA CA C 40 50.093 50.887 -0.794 1
1 509 . 19 1 1 A 42 42 ALA CB C 40 24.063 22.884 1.179 1
1 510 . 19 1 1 A 42 42 ALA N N 40 126.567 128.347 -1.780 1
1 511 . 19 1 1 A 43 43 ARG H H 41 8.393 8.629 -0.236 1
1 512 . 19 1 1 A 43 43 ARG HA H 41 5.119 5.341 -0.222 1
1 519 . 19 1 1 A 43 43 ARG C C 41 176.184 175.943 0.241 1
1 520 . 19 1 1 A 43 43 ARG CA C 41 53.900 54.762 -0.862 1
1 521 . 19 1 1 A 43 43 ARG CB C 41 32.306 32.368 -0.062 1
1 524 . 19 1 1 A 43 43 ARG N N 41 118.991 122.938 -3.947 1
1 525 . 19 1 1 A 44 44 LEU H H 42 9.010 9.175 -0.165 1
1 526 . 19 1 1 A 44 44 LEU HA H 42 4.934 4.783 0.151 1
1 536 . 19 1 1 A 44 44 LEU C C 42 178.369 178.078 0.291 1
1 537 . 19 1 1 A 44 44 LEU CA C 42 54.329 54.054 0.275 1
1 538 . 19 1 1 A 44 44 LEU CB C 42 41.497 42.125 -0.628 1
1 542 . 19 1 1 A 44 44 LEU N N 42 125.764 124.240 1.524 1
1 543 . 19 1 1 A 45 45 LYS H H 43 8.474 8.712 -0.238 1
1 544 . 19 1 1 A 45 45 LYS HA H 43 3.821 4.113 -0.292 1
1 553 . 19 1 1 A 45 45 LYS CA C 43 59.340 58.740 0.600 1
1 554 . 19 1 1 A 45 45 LYS CB C 43 33.445 32.802 0.643 1
1 558 . 19 1 1 A 45 45 LYS N N 43 120.489 121.951 -1.462 1
1 559 . 19 1 1 A 46 46 ASN H H 44 8.657 8.095 0.562 1
1 560 . 19 1 1 A 46 46 ASN HA H 44 4.433 4.453 -0.020 1
1 565 . 19 1 1 A 46 46 ASN C C 44 175.970 177.489 -1.519 1
1 566 . 19 1 1 A 46 46 ASN CA C 44 55.457 56.150 -0.693 1
1 567 . 19 1 1 A 46 46 ASN CB C 44 37.507 38.802 -1.295 1
1 569 . 19 1 1 A 47 47 ASN H H 45 7.566 7.862 -0.296 1
1 570 . 19 1 1 A 47 47 ASN HA H 45 4.654 4.762 -0.108 1
1 575 . 19 1 1 A 47 47 ASN C C 45 175.461 175.096 0.365 1
1 576 . 19 1 1 A 47 47 ASN CA C 45 52.769 55.245 -2.476 1
1 577 . 19 1 1 A 47 47 ASN CB C 45 39.203 39.178 0.025 1
1 578 . 19 1 1 A 47 47 ASN N N 45 115.277 117.174 -1.897 1
1 580 . 19 1 1 A 48 48 ASN H H 46 8.008 8.227 -0.219 1
1 581 . 19 1 1 A 48 48 ASN HA H 46 4.649 4.927 -0.278 1
1 586 . 19 1 1 A 48 48 ASN C C 46 174.812 175.118 -0.306 1
1 587 . 19 1 1 A 48 48 ASN CA C 46 54.491 54.528 -0.037 1
1 588 . 19 1 1 A 48 48 ASN CB C 46 39.092 38.032 1.060 1
1 589 . 19 1 1 A 48 48 ASN N N 46 116.416 117.568 -1.152 1
1 591 . 19 1 1 A 49 49 ARG H H 47 7.918 7.790 0.128 1
1 592 . 19 1 1 A 49 49 ARG HA H 47 4.206 4.290 -0.084 1
1 599 . 19 1 1 A 49 49 ARG C C 47 175.719 175.202 0.517 1
1 600 . 19 1 1 A 49 49 ARG CA C 47 57.084 56.266 0.818 1
1 601 . 19 1 1 A 49 49 ARG CB C 47 31.785 31.080 0.705 1
1 604 . 19 1 1 A 49 49 ARG N N 47 120.017 121.075 -1.058 1
1 605 . 19 1 1 A 50 50 GLN H H 48 8.617 8.638 -0.021 1
1 606 . 19 1 1 A 50 50 GLN HA H 48 5.212 4.920 0.292 1
1 613 . 19 1 1 A 50 50 GLN C C 48 175.697 175.679 0.018 1
1 614 . 19 1 1 A 50 50 GLN CA C 48 55.454 55.092 0.362 1
1 615 . 19 1 1 A 50 50 GLN CB C 48 30.953 30.356 0.597 1
1 617 . 19 1 1 A 50 50 GLN N N 48 123.029 127.151 -4.122 1
1 619 . 19 1 1 A 51 51 VAL H H 49 9.009 9.227 -0.218 1
1 620 . 19 1 1 A 51 51 VAL HA H 49 4.747 5.012 -0.265 1
1 628 . 19 1 1 A 51 51 VAL C C 49 174.561 174.525 0.036 1
1 629 . 19 1 1 A 51 51 VAL CA C 49 59.266 58.736 0.530 1
1 630 . 19 1 1 A 51 51 VAL CB C 49 35.845 35.744 0.101 1
1 633 . 19 1 1 A 51 51 VAL N N 49 119.358 119.260 0.098 1
1 634 . 19 1 1 A 52 52 CYS H H 50 8.850 8.778 0.072 1
1 635 . 19 1 1 A 52 52 CYS HA H 50 5.605 5.747 -0.142 1
1 638 . 19 1 1 A 52 52 CYS C C 50 174.469 172.386 2.083 1
1 639 . 19 1 1 A 52 52 CYS CA C 50 56.377 54.762 1.615 1
1 640 . 19 1 1 A 52 52 CYS CB C 50 44.694 45.706 -1.012 1
1 641 . 19 1 1 A 52 52 CYS N N 50 120.834 119.050 1.784 1
1 642 . 19 1 1 A 53 53 ILE H H 51 8.656 9.511 -0.855 1
1 643 . 19 1 1 A 53 53 ILE HA H 51 4.461 4.799 -0.338 1
1 653 . 19 1 1 A 53 53 ILE C C 51 174.137 173.883 0.254 1
1 654 . 19 1 1 A 53 53 ILE CA C 51 59.671 59.909 -0.238 1
1 655 . 19 1 1 A 53 53 ILE CB C 51 39.603 41.670 -2.067 1
1 659 . 19 1 1 A 53 53 ILE N N 51 122.740 123.977 -1.237 1
1 660 . 19 1 1 A 54 54 ASP H H 52 7.746 8.435 -0.689 1
1 661 . 19 1 1 A 54 54 ASP HA H 52 3.650 4.065 -0.415 1
1 664 . 19 1 1 A 54 54 ASP CA C 52 51.578 51.313 0.265 1
1 665 . 19 1 1 A 54 54 ASP CB C 52 42.384 42.641 -0.257 1
1 666 . 19 1 1 A 54 54 ASP N N 52 126.398 126.103 0.295 1
1 667 . 19 1 1 A 55 55 PRO HA H 53 3.990 4.128 -0.138 1
1 674 . 19 1 1 A 55 55 PRO C C 53 176.274 177.095 -0.821 1
1 675 . 19 1 1 A 55 55 PRO CA C 53 63.546 64.383 -0.837 1
1 676 . 19 1 1 A 55 55 PRO CB C 53 32.272 31.846 0.426 1
1 679 . 19 1 1 A 56 56 LYS H H 54 8.054 8.599 -0.545 1
1 680 . 19 1 1 A 56 56 LYS HA H 54 3.954 4.138 -0.184 1
1 689 . 19 1 1 A 56 56 LYS C C 54 177.867 176.665 1.202 1
1 690 . 19 1 1 A 56 56 LYS CA C 54 56.189 57.213 -1.024 1
1 691 . 19 1 1 A 56 56 LYS CB C 54 31.680 31.578 0.102 1
1 695 . 19 1 1 A 56 56 LYS N N 54 115.161 115.799 -0.638 1
1 696 . 19 1 1 A 57 57 LEU H H 55 7.172 6.971 0.201 1
1 697 . 19 1 1 A 57 57 LEU HA H 55 4.021 4.088 -0.067 1
1 707 . 19 1 1 A 57 57 LEU C C 55 179.221 177.476 1.745 1
1 708 . 19 1 1 A 57 57 LEU CA C 55 55.781 55.230 0.551 1
1 709 . 19 1 1 A 57 57 LEU CB C 55 41.739 41.601 0.138 1
1 713 . 19 1 1 A 57 57 LEU N N 55 120.921 122.733 -1.812 1
1 714 . 19 1 1 A 58 58 LYS H H 56 8.753 8.791 -0.038 1
1 715 . 19 1 1 A 58 58 LYS HA H 56 3.898 3.946 -0.048 1
1 724 . 19 1 1 A 58 58 LYS C C 56 179.161 178.289 0.872 1
1 725 . 19 1 1 A 58 58 LYS CA C 56 60.318 59.408 0.910 1
1 726 . 19 1 1 A 58 58 LYS CB C 56 32.100 32.291 -0.191 1
1 730 . 19 1 1 A 58 58 LYS N N 56 125.449 125.083 0.366 1
1 731 . 19 1 1 A 59 59 TRP H H 57 7.889 8.263 -0.374 1
1 732 . 19 1 1 A 59 59 TRP HA H 57 4.612 4.558 0.054 1
1 741 . 19 1 1 A 59 59 TRP C C 57 178.642 179.073 -0.431 1
1 742 . 19 1 1 A 59 59 TRP CA C 57 58.388 59.603 -1.215 1
1 743 . 19 1 1 A 59 59 TRP CB C 57 27.954 27.917 0.037 1
1 749 . 19 1 1 A 59 59 TRP N N 57 113.858 119.282 -5.424 1
1 751 . 19 1 1 A 60 60 ILE H H 58 6.296 7.551 -1.255 1
1 752 . 19 1 1 A 60 60 ILE HA H 58 3.627 3.324 0.303 1
1 762 . 19 1 1 A 60 60 ILE C C 58 177.104 177.774 -0.670 1
1 763 . 19 1 1 A 60 60 ILE CA C 58 61.605 64.167 -2.562 1
1 764 . 19 1 1 A 60 60 ILE CB C 58 36.043 35.770 0.273 1
1 768 . 19 1 1 A 60 60 ILE N N 58 123.265 121.889 1.376 1
1 769 . 19 1 1 A 61 61 GLN H H 59 7.650 8.084 -0.434 1
1 770 . 19 1 1 A 61 61 GLN HA H 59 3.811 3.924 -0.113 1
1 777 . 19 1 1 A 61 61 GLN C C 59 178.933 179.133 -0.200 1
1 778 . 19 1 1 A 61 61 GLN CA C 59 59.663 59.000 0.663 1
1 779 . 19 1 1 A 61 61 GLN CB C 59 27.972 28.363 -0.391 1
1 781 . 19 1 1 A 61 61 GLN N N 59 120.850 119.200 1.650 1
1 783 . 19 1 1 A 62 62 GLU H H 60 8.057 7.802 0.255 1
1 784 . 19 1 1 A 62 62 GLU HA H 60 4.081 4.089 -0.008 1
1 789 . 19 1 1 A 62 62 GLU C C 60 178.539 178.605 -0.066 1
1 790 . 19 1 1 A 62 62 GLU CA C 60 59.152 59.296 -0.144 1
1 791 . 19 1 1 A 62 62 GLU CB C 60 29.896 29.562 0.334 1
1 793 . 19 1 1 A 62 62 GLU N N 60 117.976 121.104 -3.128 1
1 794 . 19 1 1 A 63 63 TYR H H 61 8.004 8.643 -0.639 1
1 795 . 19 1 1 A 63 63 TYR HA H 61 4.216 4.173 0.043 1
1 802 . 19 1 1 A 63 63 TYR C C 61 178.157 177.009 1.148 1
1 803 . 19 1 1 A 63 63 TYR CA C 61 61.281 61.279 0.002 1
1 804 . 19 1 1 A 63 63 TYR CB C 61 38.956 38.701 0.255 1
1 807 . 19 1 1 A 63 63 TYR N N 61 120.743 122.476 -1.733 1
1 808 . 19 1 1 A 64 64 LEU H H 62 8.460 8.741 -0.281 1
1 809 . 19 1 1 A 64 64 LEU HA H 62 3.850 3.564 0.286 1
1 819 . 19 1 1 A 64 64 LEU C C 62 178.678 179.059 -0.381 1
1 820 . 19 1 1 A 64 64 LEU CA C 62 57.619 57.671 -0.052 1
1 821 . 19 1 1 A 64 64 LEU CB C 62 41.868 41.132 0.736 1
1 825 . 19 1 1 A 64 64 LEU N N 62 119.052 119.641 -0.589 1
1 826 . 19 1 1 A 65 65 GLU H H 63 7.850 8.371 -0.521 1
1 827 . 19 1 1 A 65 65 GLU HA H 63 3.974 3.931 0.043 1
1 832 . 19 1 1 A 65 65 GLU C C 63 178.447 179.358 -0.911 1
1 833 . 19 1 1 A 65 65 GLU CA C 63 59.143 59.510 -0.367 1
1 834 . 19 1 1 A 65 65 GLU CB C 63 29.721 29.169 0.552 1
1 836 . 19 1 1 A 65 65 GLU N N 63 118.310 117.601 0.709 1
1 837 . 19 1 1 A 66 66 LYS H H 64 7.648 8.353 -0.705 1
1 838 . 19 1 1 A 66 66 LYS HA H 64 4.156 4.034 0.122 1
1 847 . 19 1 1 A 66 66 LYS C C 64 177.941 178.420 -0.479 1
1 848 . 19 1 1 A 66 66 LYS CA C 64 57.820 59.373 -1.553 1
1 849 . 19 1 1 A 66 66 LYS CB C 64 32.620 32.274 0.346 1
1 853 . 19 1 1 A 66 66 LYS N N 64 117.638 121.230 -3.592 1
1 854 . 19 1 1 A 67 67 ALA H H 65 8.004 8.172 -0.168 1
1 855 . 19 1 1 A 67 67 ALA HA H 65 4.068 3.940 0.128 1
1 859 . 19 1 1 A 67 67 ALA C C 65 178.624 180.356 -1.732 1
1 860 . 19 1 1 A 67 67 ALA CA C 65 53.790 54.887 -1.097 1
1 861 . 19 1 1 A 67 67 ALA CB C 65 19.082 18.034 1.048 1
1 862 . 19 1 1 A 67 67 ALA N N 65 121.228 120.649 0.579 1
1 863 . 19 1 1 A 68 68 LEU H H 66 7.791 8.497 -0.706 1
1 864 . 19 1 1 A 68 68 LEU HA H 66 4.274 3.955 0.319 1
1 874 . 19 1 1 A 68 68 LEU CA C 66 55.593 57.770 -2.177 1
1 875 . 19 1 1 A 68 68 LEU CB C 66 42.329 41.446 0.883 1
1 878 . 19 1 1 A 68 68 LEU N N 66 116.882 119.245 -2.363 1
1 879 . 19 1 1 A 69 69 ASN H H 67 7.914 8.171 -0.257 1
1 880 . 19 1 1 A 69 69 ASN HA H 67 4.803 4.445 0.358 1
1 885 . 19 1 1 A 69 69 ASN C C 67 174.039 177.312 -3.273 1
1 886 . 19 1 1 A 69 69 ASN CA C 67 53.434 55.723 -2.289 1
1 887 . 19 1 1 A 69 69 ASN CB C 67 39.601 38.346 1.255 1
1 888 . 19 1 1 A 69 69 ASN N N 67 118.309 117.125 1.184 1
1 18 . 20 1 1 A 4 4 PRO HA H 2 4.416 4.694 -0.278 1
1 25 . 20 1 1 A 4 4 PRO C C 2 176.996 176.168 0.828 1
1 26 . 20 1 1 A 4 4 PRO CA C 2 63.494 62.721 0.773 1
1 27 . 20 1 1 A 4 4 PRO CB C 2 32.161 32.009 0.152 1
1 30 . 20 1 1 A 5 5 VAL H H 3 8.227 8.558 -0.331 1
1 31 . 20 1 1 A 5 5 VAL HA H 3 4.058 4.302 -0.244 1
1 39 . 20 1 1 A 5 5 VAL C C 3 176.376 174.477 1.899 1
1 40 . 20 1 1 A 5 5 VAL CA C 3 62.495 63.004 -0.509 1
1 41 . 20 1 1 A 5 5 VAL CB C 3 32.808 35.024 -2.216 1
1 43 . 20 1 1 A 5 5 VAL N N 3 121.008 122.570 -1.562 1
1 44 . 20 1 1 A 6 6 SER H H 4 8.270 7.723 0.547 1
1 45 . 20 1 1 A 6 6 SER HA H 4 4.409 4.773 -0.364 1
1 48 . 20 1 1 A 6 6 SER C C 4 174.577 173.050 1.527 1
1 49 . 20 1 1 A 6 6 SER CA C 4 58.148 57.327 0.821 1
1 50 . 20 1 1 A 6 6 SER CB C 4 63.870 66.780 -2.910 1
1 51 . 20 1 1 A 6 6 SER N N 4 119.573 114.365 5.208 1
1 52 . 20 1 1 A 7 7 LEU H H 5 8.273 8.769 -0.496 1
1 53 . 20 1 1 A 7 7 LEU HA H 5 4.320 4.438 -0.118 1
1 63 . 20 1 1 A 7 7 LEU C C 5 177.341 176.335 1.006 1
1 64 . 20 1 1 A 7 7 LEU CA C 5 55.388 54.251 1.137 1
1 65 . 20 1 1 A 7 7 LEU CB C 5 42.650 40.632 2.018 1
1 68 . 20 1 1 A 7 7 LEU N N 5 125.039 124.099 0.940 1
1 69 . 20 1 1 A 8 8 SER H H 6 8.127 8.415 -0.288 1
1 70 . 20 1 1 A 8 8 SER HA H 6 4.335 4.813 -0.478 1
1 73 . 20 1 1 A 8 8 SER C C 6 174.189 174.077 0.112 1
1 74 . 20 1 1 A 8 8 SER CA C 6 58.433 57.042 1.391 1
1 75 . 20 1 1 A 8 8 SER CB C 6 63.870 64.761 -0.891 1
1 76 . 20 1 1 A 8 8 SER N N 6 116.154 117.869 -1.715 1
1 77 . 20 1 1 A 9 9 TYR H H 7 7.971 8.607 -0.636 1
1 78 . 20 1 1 A 9 9 TYR HA H 7 4.502 4.817 -0.315 1
1 85 . 20 1 1 A 9 9 TYR C C 7 175.520 175.897 -0.377 1
1 86 . 20 1 1 A 9 9 TYR CA C 7 58.008 58.848 -0.840 1
1 87 . 20 1 1 A 9 9 TYR CB C 7 38.956 39.472 -0.516 1
1 90 . 20 1 1 A 9 9 TYR N N 7 122.213 122.771 -0.558 1
1 91 . 20 1 1 A 10 10 ARG H H 8 8.118 8.958 -0.840 1
1 92 . 20 1 1 A 10 10 ARG HA H 8 4.253 5.045 -0.792 1
1 99 . 20 1 1 A 10 10 ARG C C 8 175.918 173.976 1.942 1
1 100 . 20 1 1 A 10 10 ARG CA C 8 56.104 54.069 2.035 1
1 101 . 20 1 1 A 10 10 ARG CB C 8 30.875 33.575 -2.700 1
1 104 . 20 1 1 A 10 10 ARG N N 8 122.182 120.675 1.507 1
1 105 . 20 1 1 A 11 11 CYS H H 9 8.097 8.691 -0.594 1
1 106 . 20 1 1 A 11 11 CYS HA H 9 4.909 5.142 -0.233 1
1 109 . 20 1 1 A 11 11 CYS C C 9 173.615 173.748 -0.133 1
1 110 . 20 1 1 A 11 11 CYS CA C 9 53.127 54.098 -0.971 1
1 111 . 20 1 1 A 11 11 CYS CB C 9 40.218 44.243 -4.025 1
1 112 . 20 1 1 A 11 11 CYS N N 9 121.280 117.468 3.812 1
1 113 . 20 1 1 A 12 12 PRO HA H 10 4.275 4.350 -0.075 1
1 120 . 20 1 1 A 12 12 PRO C C 10 177.703 176.483 1.220 1
1 121 . 20 1 1 A 12 12 PRO CA C 10 64.859 64.930 -0.071 1
1 122 . 20 1 1 A 12 12 PRO CB C 10 32.508 31.533 0.975 1
1 125 . 20 1 1 A 13 13 CYS H H 11 8.248 7.652 0.596 1
1 126 . 20 1 1 A 13 13 CYS HA H 11 4.827 4.751 0.076 1
1 129 . 20 1 1 A 13 13 CYS C C 11 174.202 173.501 0.701 1
1 130 . 20 1 1 A 13 13 CYS CA C 11 53.429 55.284 -1.855 1
1 131 . 20 1 1 A 13 13 CYS CB C 11 39.603 45.442 -5.839 1
1 132 . 20 1 1 A 13 13 CYS N N 11 114.161 114.461 -0.300 1
1 133 . 20 1 1 A 14 14 ARG HA H 12 3.984 4.174 -0.190 1
1 140 . 20 1 1 A 14 14 ARG C C 12 175.202 175.626 -0.424 1
1 141 . 20 1 1 A 14 14 ARG CA C 12 57.293 57.023 0.270 1
1 142 . 20 1 1 A 14 14 ARG CB C 12 31.098 31.485 -0.387 1
1 145 . 20 1 1 A 15 15 PHE H H 13 7.524 7.494 0.030 1
1 146 . 20 1 1 A 15 15 PHE HA H 13 4.488 4.627 -0.139 1
1 154 . 20 1 1 A 15 15 PHE C C 13 174.226 174.360 -0.134 1
1 155 . 20 1 1 A 15 15 PHE CA C 13 55.971 55.299 0.672 1
1 156 . 20 1 1 A 15 15 PHE CB C 13 41.059 40.929 0.130 1
1 160 . 20 1 1 A 15 15 PHE N N 13 116.175 114.711 1.464 1
1 161 . 20 1 1 A 16 16 PHE H H 14 8.309 8.950 -0.641 1
1 162 . 20 1 1 A 16 16 PHE HA H 14 4.794 4.903 -0.109 1
1 170 . 20 1 1 A 16 16 PHE C C 14 175.247 175.620 -0.373 1
1 171 . 20 1 1 A 16 16 PHE CA C 14 55.559 56.183 -0.624 1
1 172 . 20 1 1 A 16 16 PHE CB C 14 41.220 42.916 -1.696 1
1 176 . 20 1 1 A 16 16 PHE N N 14 119.656 118.984 0.672 1
1 177 . 20 1 1 A 17 17 GLU H H 15 8.904 9.774 -0.870 1
1 178 . 20 1 1 A 17 17 GLU HA H 15 4.525 4.568 -0.043 1
1 183 . 20 1 1 A 17 17 GLU C C 15 176.747 177.890 -1.143 1
1 184 . 20 1 1 A 17 17 GLU CA C 15 56.012 57.211 -1.199 1
1 185 . 20 1 1 A 17 17 GLU CB C 15 30.894 30.032 0.862 1
1 187 . 20 1 1 A 17 17 GLU N N 15 122.929 123.254 -0.325 1
1 188 . 20 1 1 A 18 18 SER H H 16 8.752 9.170 -0.418 1
1 189 . 20 1 1 A 18 18 SER HA H 16 4.708 4.534 0.174 1
1 192 . 20 1 1 A 18 18 SER C C 16 174.278 174.326 -0.048 1
1 193 . 20 1 1 A 18 18 SER CA C 16 59.799 58.670 1.129 1
1 194 . 20 1 1 A 18 18 SER CB C 16 64.023 64.135 -0.112 1
1 195 . 20 1 1 A 18 18 SER N N 16 119.679 117.920 1.759 1
1 196 . 20 1 1 A 19 19 HIS H H 17 9.044 7.673 1.371 1
1 197 . 20 1 1 A 19 19 HIS HA H 17 4.873 5.391 -0.518 1
1 202 . 20 1 1 A 19 19 HIS C C 17 174.580 174.011 0.569 1
1 203 . 20 1 1 A 19 19 HIS CA C 17 56.240 54.743 1.497 1
1 204 . 20 1 1 A 19 19 HIS CB C 17 28.272 31.807 -3.535 1
1 207 . 20 1 1 A 19 19 HIS N N 17 120.269 120.388 -0.119 1
1 208 . 20 1 1 A 20 20 VAL H H 18 7.212 9.191 -1.979 1
1 209 . 20 1 1 A 20 20 VAL HA H 18 4.226 4.719 -0.493 1
1 217 . 20 1 1 A 20 20 VAL C C 18 174.138 174.250 -0.112 1
1 218 . 20 1 1 A 20 20 VAL CA C 18 61.605 60.477 1.128 1
1 219 . 20 1 1 A 20 20 VAL CB C 18 34.102 36.227 -2.125 1
1 221 . 20 1 1 A 20 20 VAL N N 18 119.528 123.484 -3.956 1
1 222 . 20 1 1 A 21 21 ALA H H 19 8.553 8.842 -0.289 1
1 223 . 20 1 1 A 21 21 ALA HA H 19 4.340 4.511 -0.171 1
1 227 . 20 1 1 A 21 21 ALA C C 19 177.514 177.523 -0.009 1
1 228 . 20 1 1 A 21 21 ALA CA C 19 50.666 50.197 0.469 1
1 229 . 20 1 1 A 21 21 ALA CB C 19 19.660 20.763 -1.103 1
1 230 . 20 1 1 A 21 21 ALA N N 19 131.180 127.489 3.691 1
1 231 . 20 1 1 A 22 22 ARG H H 20 7.726 8.160 -0.434 1
1 232 . 20 1 1 A 22 22 ARG HA H 20 2.590 2.940 -0.350 1
1 239 . 20 1 1 A 22 22 ARG C C 20 178.531 177.057 1.474 1
1 240 . 20 1 1 A 22 22 ARG CA C 20 59.155 57.950 1.205 1
1 241 . 20 1 1 A 22 22 ARG CB C 20 29.167 29.552 -0.385 1
1 244 . 20 1 1 A 22 22 ARG N N 20 124.436 122.890 1.546 1
1 245 . 20 1 1 A 23 23 ALA H H 21 8.150 7.449 0.701 1
1 246 . 20 1 1 A 23 23 ALA HA H 21 4.019 4.107 -0.088 1
1 250 . 20 1 1 A 23 23 ALA C C 21 177.743 177.934 -0.191 1
1 251 . 20 1 1 A 23 23 ALA CA C 21 53.809 53.201 0.608 1
1 252 . 20 1 1 A 23 23 ALA CB C 21 18.688 18.608 0.080 1
1 253 . 20 1 1 A 23 23 ALA N N 21 117.354 121.280 -3.926 1
1 254 . 20 1 1 A 24 24 ASN H H 22 7.706 7.972 -0.266 1
1 255 . 20 1 1 A 24 24 ASN HA H 22 4.906 4.760 0.146 1
1 260 . 20 1 1 A 24 24 ASN C C 22 174.889 174.898 -0.009 1
1 261 . 20 1 1 A 24 24 ASN CA C 22 52.590 52.935 -0.345 1
1 262 . 20 1 1 A 24 24 ASN CB C 22 40.335 38.278 2.057 1
1 263 . 20 1 1 A 24 24 ASN N N 22 112.797 113.122 -0.325 1
1 265 . 20 1 1 A 25 25 VAL H H 23 7.457 7.626 -0.169 1
1 266 . 20 1 1 A 25 25 VAL HA H 23 4.326 4.306 0.020 1
1 274 . 20 1 1 A 25 25 VAL C C 23 174.594 175.886 -1.292 1
1 275 . 20 1 1 A 25 25 VAL CA C 23 62.406 62.017 0.389 1
1 276 . 20 1 1 A 25 25 VAL CB C 23 33.445 32.782 0.663 1
1 278 . 20 1 1 A 25 25 VAL N N 23 118.772 120.500 -1.728 1
1 279 . 20 1 1 A 26 26 LYS H H 24 9.261 9.235 0.026 1
1 280 . 20 1 1 A 26 26 LYS HA H 24 4.406 4.440 -0.034 1
1 289 . 20 1 1 A 26 26 LYS C C 24 175.247 176.164 -0.917 1
1 290 . 20 1 1 A 26 26 LYS CA C 24 56.483 57.528 -1.045 1
1 291 . 20 1 1 A 26 26 LYS CB C 24 35.023 33.602 1.421 1
1 295 . 20 1 1 A 26 26 LYS N N 24 125.197 122.355 2.842 1
1 296 . 20 1 1 A 27 27 HIS H H 25 7.811 7.202 0.609 1
1 297 . 20 1 1 A 27 27 HIS HA H 25 4.627 4.939 -0.312 1
1 302 . 20 1 1 A 27 27 HIS C C 25 173.157 172.538 0.619 1
1 303 . 20 1 1 A 27 27 HIS CA C 25 55.463 55.188 0.275 1
1 304 . 20 1 1 A 27 27 HIS CB C 25 31.832 32.912 -1.080 1
1 307 . 20 1 1 A 27 27 HIS N N 25 115.509 118.066 -2.557 1
1 308 . 20 1 1 A 28 28 LEU H H 26 8.311 9.049 -0.738 1
1 309 . 20 1 1 A 28 28 LEU HA H 26 4.991 5.076 -0.085 1
1 319 . 20 1 1 A 28 28 LEU C C 26 175.514 175.492 0.022 1
1 320 . 20 1 1 A 28 28 LEU CA C 26 54.662 53.259 1.403 1
1 321 . 20 1 1 A 28 28 LEU CB C 26 45.594 43.465 2.129 1
1 325 . 20 1 1 A 29 29 LYS H H 27 9.003 9.320 -0.317 1
1 326 . 20 1 1 A 29 29 LYS HA H 27 4.578 4.881 -0.303 1
1 335 . 20 1 1 A 29 29 LYS C C 27 173.758 174.887 -1.129 1
1 336 . 20 1 1 A 29 29 LYS CA C 27 54.945 54.829 0.116 1
1 337 . 20 1 1 A 29 29 LYS CB C 27 36.358 35.393 0.965 1
1 341 . 20 1 1 A 29 29 LYS N N 27 122.740 125.015 -2.275 1
1 342 . 20 1 1 A 30 30 ILE H H 28 8.526 8.972 -0.446 1
1 343 . 20 1 1 A 30 30 ILE HA H 28 4.623 4.839 -0.216 1
1 353 . 20 1 1 A 30 30 ILE C C 28 175.988 174.704 1.284 1
1 354 . 20 1 1 A 30 30 ILE CA C 28 60.122 60.351 -0.229 1
1 355 . 20 1 1 A 30 30 ILE CB C 28 38.795 38.794 0.001 1
1 359 . 20 1 1 A 30 30 ILE N N 28 123.517 127.790 -4.273 1
1 360 . 20 1 1 A 31 31 LEU H H 29 8.910 9.820 -0.910 1
1 361 . 20 1 1 A 31 31 LEU HA H 29 4.553 5.287 -0.734 1
1 371 . 20 1 1 A 31 31 LEU C C 29 176.005 175.002 1.003 1
1 372 . 20 1 1 A 31 31 LEU CA C 29 53.975 53.291 0.684 1
1 373 . 20 1 1 A 31 31 LEU CB C 29 43.485 45.585 -2.100 1
1 376 . 20 1 1 A 31 31 LEU N N 29 128.881 130.712 -1.831 1
1 377 . 20 1 1 A 32 32 ASN H H 30 8.710 9.093 -0.383 1
1 378 . 20 1 1 A 32 32 ASN HA H 30 4.954 5.701 -0.747 1
1 383 . 20 1 1 A 32 32 ASN C C 30 174.462 173.952 0.510 1
1 384 . 20 1 1 A 32 32 ASN CA C 30 52.413 51.352 1.061 1
1 385 . 20 1 1 A 32 32 ASN CB C 30 39.232 41.202 -1.970 1
1 386 . 20 1 1 A 32 32 ASN N N 30 124.019 123.457 0.562 1
1 388 . 20 1 1 A 33 33 THR H H 31 8.094 9.000 -0.906 1
1 389 . 20 1 1 A 33 33 THR HA H 31 4.628 4.722 -0.094 1
1 394 . 20 1 1 A 33 33 THR CA C 31 59.475 59.190 0.285 1
1 395 . 20 1 1 A 33 33 THR CB C 31 70.459 70.484 -0.025 1
1 397 . 20 1 1 A 33 33 THR N N 31 118.961 117.749 1.212 1
1 398 . 20 1 1 A 34 34 PRO HA H 32 4.206 4.440 -0.234 1
1 405 . 20 1 1 A 34 34 PRO C C 32 176.814 177.431 -0.617 1
1 406 . 20 1 1 A 34 34 PRO CA C 32 64.445 64.085 0.360 1
1 407 . 20 1 1 A 34 34 PRO CB C 32 32.170 31.237 0.933 1
1 410 . 20 1 1 A 35 35 ASN H H 33 8.504 8.250 0.254 1
1 411 . 20 1 1 A 35 35 ASN HA H 33 4.342 4.834 -0.492 1
1 416 . 20 1 1 A 35 35 ASN C C 33 174.344 176.499 -2.155 1
1 417 . 20 1 1 A 35 35 ASN CA C 33 54.945 53.679 1.266 1
1 418 . 20 1 1 A 35 35 ASN CB C 33 38.122 40.218 -2.096 1
1 419 . 20 1 1 A 35 35 ASN N N 33 113.042 112.541 0.501 1
1 421 . 20 1 1 A 36 36 CYS H H 34 7.526 8.618 -1.092 1
1 422 . 20 1 1 A 36 36 CYS HA H 34 4.878 4.500 0.378 1
1 425 . 20 1 1 A 36 36 CYS C C 34 173.880 174.248 -0.368 1
1 426 . 20 1 1 A 36 36 CYS CA C 34 54.622 59.056 -4.434 1
1 427 . 20 1 1 A 36 36 CYS CB C 34 44.780 42.833 1.947 1
1 428 . 20 1 1 A 36 36 CYS N N 34 116.301 117.752 -1.451 1
1 429 . 20 1 1 A 37 37 ALA H H 35 8.395 7.413 0.982 1
1 430 . 20 1 1 A 37 37 ALA HA H 35 4.205 4.435 -0.230 1
1 434 . 20 1 1 A 37 37 ALA C C 35 176.677 174.512 2.165 1
1 435 . 20 1 1 A 37 37 ALA CA C 35 52.413 51.593 0.820 1
1 436 . 20 1 1 A 37 37 ALA CB C 35 18.968 21.277 -2.309 1
1 437 . 20 1 1 A 37 37 ALA N N 35 125.001 117.410 7.591 1
1 438 . 20 1 1 A 38 38 LEU H H 36 8.004 8.403 -0.399 1
1 439 . 20 1 1 A 38 38 LEU HA H 36 4.206 4.944 -0.738 1
1 449 . 20 1 1 A 38 38 LEU C C 36 176.194 174.830 1.364 1
1 450 . 20 1 1 A 38 38 LEU CA C 36 56.563 53.571 2.992 1
1 451 . 20 1 1 A 38 38 LEU CB C 36 42.465 43.868 -1.403 1
1 455 . 20 1 1 A 38 38 LEU N N 36 121.548 119.703 1.845 1
1 456 . 20 1 1 A 39 39 GLN H H 37 8.471 9.302 -0.831 1
1 457 . 20 1 1 A 39 39 GLN HA H 37 4.621 4.412 0.209 1
1 464 . 20 1 1 A 39 39 GLN C C 37 173.581 174.705 -1.124 1
1 465 . 20 1 1 A 39 39 GLN CA C 37 54.172 55.387 -1.215 1
1 466 . 20 1 1 A 39 39 GLN CB C 37 32.461 29.935 2.526 1
1 468 . 20 1 1 A 39 39 GLN N N 37 123.271 125.557 -2.286 1
1 470 . 20 1 1 A 40 40 ILE H H 38 9.429 8.272 1.157 1
1 471 . 20 1 1 A 40 40 ILE HA H 38 4.718 4.668 0.050 1
1 481 . 20 1 1 A 40 40 ILE C C 38 174.547 175.178 -0.631 1
1 482 . 20 1 1 A 40 40 ILE CA C 38 60.122 59.559 0.563 1
1 483 . 20 1 1 A 40 40 ILE CB C 38 38.899 37.932 0.967 1
1 487 . 20 1 1 A 40 40 ILE N N 38 124.702 125.395 -0.693 1
1 488 . 20 1 1 A 41 41 VAL H H 39 8.872 9.094 -0.222 1
1 489 . 20 1 1 A 41 41 VAL HA H 39 5.027 4.747 0.280 1
1 497 . 20 1 1 A 41 41 VAL C C 39 174.772 175.026 -0.254 1
1 498 . 20 1 1 A 41 41 VAL CA C 39 60.111 61.346 -1.235 1
1 499 . 20 1 1 A 41 41 VAL CB C 39 34.767 33.294 1.473 1
1 501 . 20 1 1 A 41 41 VAL N N 39 124.441 129.215 -4.774 1
1 502 . 20 1 1 A 42 42 ALA H H 40 9.305 9.260 0.045 1
1 503 . 20 1 1 A 42 42 ALA HA H 40 5.289 5.649 -0.360 1
1 507 . 20 1 1 A 42 42 ALA C C 40 175.955 175.703 0.252 1
1 508 . 20 1 1 A 42 42 ALA CA C 40 50.093 50.519 -0.426 1
1 509 . 20 1 1 A 42 42 ALA CB C 40 24.063 22.593 1.470 1
1 510 . 20 1 1 A 42 42 ALA N N 40 126.567 128.823 -2.256 1
1 511 . 20 1 1 A 43 43 ARG H H 41 8.393 8.696 -0.303 1
1 512 . 20 1 1 A 43 43 ARG HA H 41 5.119 4.997 0.122 1
1 519 . 20 1 1 A 43 43 ARG C C 41 176.184 176.169 0.015 1
1 520 . 20 1 1 A 43 43 ARG CA C 41 53.900 54.955 -1.055 1
1 521 . 20 1 1 A 43 43 ARG CB C 41 32.306 32.230 0.076 1
1 524 . 20 1 1 A 43 43 ARG N N 41 118.991 122.987 -3.996 1
1 525 . 20 1 1 A 44 44 LEU H H 42 9.010 8.955 0.055 1
1 526 . 20 1 1 A 44 44 LEU HA H 42 4.934 4.784 0.150 1
1 536 . 20 1 1 A 44 44 LEU C C 42 178.369 178.211 0.158 1
1 537 . 20 1 1 A 44 44 LEU CA C 42 54.329 54.704 -0.375 1
1 538 . 20 1 1 A 44 44 LEU CB C 42 41.497 42.131 -0.634 1
1 542 . 20 1 1 A 44 44 LEU N N 42 125.764 125.220 0.544 1
1 543 . 20 1 1 A 45 45 LYS H H 43 8.474 8.967 -0.493 1
1 544 . 20 1 1 A 45 45 LYS HA H 43 3.821 3.913 -0.092 1
1 553 . 20 1 1 A 45 45 LYS CA C 43 59.340 59.728 -0.388 1
1 554 . 20 1 1 A 45 45 LYS CB C 43 33.445 32.528 0.917 1
1 558 . 20 1 1 A 45 45 LYS N N 43 120.489 122.110 -1.621 1
1 559 . 20 1 1 A 46 46 ASN H H 44 8.657 8.105 0.552 1
1 560 . 20 1 1 A 46 46 ASN HA H 44 4.433 4.445 -0.012 1
1 565 . 20 1 1 A 46 46 ASN C C 44 175.970 177.341 -1.371 1
1 566 . 20 1 1 A 46 46 ASN CA C 44 55.457 56.060 -0.603 1
1 567 . 20 1 1 A 46 46 ASN CB C 44 37.507 38.499 -0.992 1
1 569 . 20 1 1 A 47 47 ASN H H 45 7.566 7.861 -0.295 1
1 570 . 20 1 1 A 47 47 ASN HA H 45 4.654 4.815 -0.161 1
1 575 . 20 1 1 A 47 47 ASN C C 45 175.461 175.155 0.306 1
1 576 . 20 1 1 A 47 47 ASN CA C 45 52.769 54.121 -1.352 1
1 577 . 20 1 1 A 47 47 ASN CB C 45 39.203 39.050 0.153 1
1 578 . 20 1 1 A 47 47 ASN N N 45 115.277 116.947 -1.670 1
1 580 . 20 1 1 A 48 48 ASN H H 46 8.008 8.218 -0.210 1
1 581 . 20 1 1 A 48 48 ASN HA H 46 4.649 4.685 -0.036 1
1 586 . 20 1 1 A 48 48 ASN C C 46 174.812 174.148 0.664 1
1 587 . 20 1 1 A 48 48 ASN CA C 46 54.491 54.666 -0.175 1
1 588 . 20 1 1 A 48 48 ASN CB C 46 39.092 38.161 0.931 1
1 589 . 20 1 1 A 48 48 ASN N N 46 116.416 117.568 -1.152 1
1 591 . 20 1 1 A 49 49 ARG H H 47 7.918 7.752 0.166 1
1 592 . 20 1 1 A 49 49 ARG HA H 47 4.206 4.341 -0.135 1
1 599 . 20 1 1 A 49 49 ARG C C 47 175.719 175.367 0.352 1
1 600 . 20 1 1 A 49 49 ARG CA C 47 57.084 56.656 0.428 1
1 601 . 20 1 1 A 49 49 ARG CB C 47 31.785 31.450 0.335 1
1 604 . 20 1 1 A 49 49 ARG N N 47 120.017 120.949 -0.932 1
1 605 . 20 1 1 A 50 50 GLN H H 48 8.617 8.666 -0.049 1
1 606 . 20 1 1 A 50 50 GLN HA H 48 5.212 4.990 0.222 1
1 613 . 20 1 1 A 50 50 GLN C C 48 175.697 175.731 -0.034 1
1 614 . 20 1 1 A 50 50 GLN CA C 48 55.454 54.985 0.469 1
1 615 . 20 1 1 A 50 50 GLN CB C 48 30.953 30.410 0.543 1
1 617 . 20 1 1 A 50 50 GLN N N 48 123.029 122.772 0.257 1
1 619 . 20 1 1 A 51 51 VAL H H 49 9.009 9.420 -0.411 1
1 620 . 20 1 1 A 51 51 VAL HA H 49 4.747 5.039 -0.292 1
1 628 . 20 1 1 A 51 51 VAL C C 49 174.561 174.647 -0.086 1
1 629 . 20 1 1 A 51 51 VAL CA C 49 59.266 59.223 0.043 1
1 630 . 20 1 1 A 51 51 VAL CB C 49 35.845 35.355 0.490 1
1 633 . 20 1 1 A 51 51 VAL N N 49 119.358 119.834 -0.476 1
1 634 . 20 1 1 A 52 52 CYS H H 50 8.850 8.780 0.070 1
1 635 . 20 1 1 A 52 52 CYS HA H 50 5.605 5.860 -0.255 1
1 638 . 20 1 1 A 52 52 CYS C C 50 174.469 172.273 2.196 1
1 639 . 20 1 1 A 52 52 CYS CA C 50 56.377 54.557 1.820 1
1 640 . 20 1 1 A 52 52 CYS CB C 50 44.694 45.801 -1.107 1
1 641 . 20 1 1 A 52 52 CYS N N 50 120.834 119.146 1.688 1
1 642 . 20 1 1 A 53 53 ILE H H 51 8.656 9.670 -1.014 1
1 643 . 20 1 1 A 53 53 ILE HA H 51 4.461 4.759 -0.298 1
1 653 . 20 1 1 A 53 53 ILE C C 51 174.137 174.321 -0.184 1
1 654 . 20 1 1 A 53 53 ILE CA C 51 59.671 59.811 -0.140 1
1 655 . 20 1 1 A 53 53 ILE CB C 51 39.603 41.674 -2.071 1
1 659 . 20 1 1 A 53 53 ILE N N 51 122.740 123.954 -1.214 1
1 660 . 20 1 1 A 54 54 ASP H H 52 7.746 8.160 -0.414 1
1 661 . 20 1 1 A 54 54 ASP HA H 52 3.650 4.449 -0.799 1
1 664 . 20 1 1 A 54 54 ASP CA C 52 51.578 51.718 -0.140 1
1 665 . 20 1 1 A 54 54 ASP CB C 52 42.384 42.484 -0.100 1
1 666 . 20 1 1 A 54 54 ASP N N 52 126.398 126.147 0.251 1
1 667 . 20 1 1 A 55 55 PRO HA H 53 3.990 4.144 -0.154 1
1 674 . 20 1 1 A 55 55 PRO C C 53 176.274 177.072 -0.798 1
1 675 . 20 1 1 A 55 55 PRO CA C 53 63.546 64.550 -1.004 1
1 676 . 20 1 1 A 55 55 PRO CB C 53 32.272 31.936 0.336 1
1 679 . 20 1 1 A 56 56 LYS H H 54 8.054 8.419 -0.365 1
1 680 . 20 1 1 A 56 56 LYS HA H 54 3.954 4.262 -0.308 1
1 689 . 20 1 1 A 56 56 LYS C C 54 177.867 176.519 1.348 1
1 690 . 20 1 1 A 56 56 LYS CA C 54 56.189 56.387 -0.198 1
1 691 . 20 1 1 A 56 56 LYS CB C 54 31.680 31.862 -0.182 1
1 695 . 20 1 1 A 56 56 LYS N N 54 115.161 115.506 -0.345 1
1 696 . 20 1 1 A 57 57 LEU H H 55 7.172 6.713 0.459 1
1 697 . 20 1 1 A 57 57 LEU HA H 55 4.021 4.102 -0.081 1
1 707 . 20 1 1 A 57 57 LEU C C 55 179.221 177.904 1.317 1
1 708 . 20 1 1 A 57 57 LEU CA C 55 55.781 55.208 0.573 1
1 709 . 20 1 1 A 57 57 LEU CB C 55 41.739 41.504 0.235 1
1 713 . 20 1 1 A 57 57 LEU N N 55 120.921 122.467 -1.546 1
1 714 . 20 1 1 A 58 58 LYS H H 56 8.753 8.780 -0.027 1
1 715 . 20 1 1 A 58 58 LYS HA H 56 3.898 3.857 0.041 1
1 724 . 20 1 1 A 58 58 LYS C C 56 179.161 178.656 0.505 1
1 725 . 20 1 1 A 58 58 LYS CA C 56 60.318 59.824 0.494 1
1 726 . 20 1 1 A 58 58 LYS CB C 56 32.100 32.234 -0.134 1
1 730 . 20 1 1 A 58 58 LYS N N 56 125.449 121.662 3.787 1
1 731 . 20 1 1 A 59 59 TRP H H 57 7.889 8.300 -0.411 1
1 732 . 20 1 1 A 59 59 TRP HA H 57 4.612 4.544 0.068 1
1 741 . 20 1 1 A 59 59 TRP C C 57 178.642 179.065 -0.423 1
1 742 . 20 1 1 A 59 59 TRP CA C 57 58.388 59.715 -1.327 1
1 743 . 20 1 1 A 59 59 TRP CB C 57 27.954 27.843 0.111 1
1 749 . 20 1 1 A 59 59 TRP N N 57 113.858 118.913 -5.055 1
1 751 . 20 1 1 A 60 60 ILE H H 58 6.296 7.392 -1.096 1
1 752 . 20 1 1 A 60 60 ILE HA H 58 3.627 3.433 0.194 1
1 762 . 20 1 1 A 60 60 ILE C C 58 177.104 177.558 -0.454 1
1 763 . 20 1 1 A 60 60 ILE CA C 58 61.605 64.160 -2.555 1
1 764 . 20 1 1 A 60 60 ILE CB C 58 36.043 36.485 -0.442 1
1 768 . 20 1 1 A 60 60 ILE N N 58 123.265 121.777 1.488 1
1 769 . 20 1 1 A 61 61 GLN H H 59 7.650 8.635 -0.985 1
1 770 . 20 1 1 A 61 61 GLN HA H 59 3.811 3.893 -0.082 1
1 777 . 20 1 1 A 61 61 GLN C C 59 178.933 178.944 -0.011 1
1 778 . 20 1 1 A 61 61 GLN CA C 59 59.663 59.126 0.537 1
1 779 . 20 1 1 A 61 61 GLN CB C 59 27.972 28.425 -0.453 1
1 781 . 20 1 1 A 61 61 GLN N N 59 120.850 118.759 2.091 1
1 783 . 20 1 1 A 62 62 GLU H H 60 8.057 8.325 -0.268 1
1 784 . 20 1 1 A 62 62 GLU HA H 60 4.081 4.091 -0.010 1
1 789 . 20 1 1 A 62 62 GLU C C 60 178.539 178.369 0.170 1
1 790 . 20 1 1 A 62 62 GLU CA C 60 59.152 59.231 -0.079 1
1 791 . 20 1 1 A 62 62 GLU CB C 60 29.896 29.071 0.825 1
1 793 . 20 1 1 A 62 62 GLU N N 60 117.976 118.479 -0.503 1
1 794 . 20 1 1 A 63 63 TYR H H 61 8.004 7.935 0.069 1
1 795 . 20 1 1 A 63 63 TYR HA H 61 4.216 4.195 0.021 1
1 802 . 20 1 1 A 63 63 TYR C C 61 178.157 177.153 1.004 1
1 803 . 20 1 1 A 63 63 TYR CA C 61 61.281 61.441 -0.160 1
1 804 . 20 1 1 A 63 63 TYR CB C 61 38.956 38.672 0.284 1
1 807 . 20 1 1 A 63 63 TYR N N 61 120.743 122.333 -1.590 1
1 808 . 20 1 1 A 64 64 LEU H H 62 8.460 8.793 -0.333 1
1 809 . 20 1 1 A 64 64 LEU HA H 62 3.850 3.432 0.418 1
1 819 . 20 1 1 A 64 64 LEU C C 62 178.678 178.936 -0.258 1
1 820 . 20 1 1 A 64 64 LEU CA C 62 57.619 57.842 -0.223 1
1 821 . 20 1 1 A 64 64 LEU CB C 62 41.868 41.122 0.746 1
1 825 . 20 1 1 A 64 64 LEU N N 62 119.052 119.553 -0.501 1
1 826 . 20 1 1 A 65 65 GLU H H 63 7.850 8.401 -0.551 1
1 827 . 20 1 1 A 65 65 GLU HA H 63 3.974 3.863 0.111 1
1 832 . 20 1 1 A 65 65 GLU C C 63 178.447 179.000 -0.553 1
1 833 . 20 1 1 A 65 65 GLU CA C 63 59.143 59.859 -0.716 1
1 834 . 20 1 1 A 65 65 GLU CB C 63 29.721 29.477 0.244 1
1 836 . 20 1 1 A 65 65 GLU N N 63 118.310 117.138 1.172 1
1 837 . 20 1 1 A 66 66 LYS H H 64 7.648 8.076 -0.428 1
1 838 . 20 1 1 A 66 66 LYS HA H 64 4.156 3.987 0.169 1
1 847 . 20 1 1 A 66 66 LYS C C 64 177.941 178.768 -0.827 1
1 848 . 20 1 1 A 66 66 LYS CA C 64 57.820 59.382 -1.562 1
1 849 . 20 1 1 A 66 66 LYS CB C 64 32.620 32.277 0.343 1
1 853 . 20 1 1 A 66 66 LYS N N 64 117.638 120.980 -3.342 1
1 854 . 20 1 1 A 67 67 ALA H H 65 8.004 8.076 -0.072 1
1 855 . 20 1 1 A 67 67 ALA HA H 65 4.068 4.014 0.054 1
1 859 . 20 1 1 A 67 67 ALA C C 65 178.624 180.403 -1.779 1
1 860 . 20 1 1 A 67 67 ALA CA C 65 53.790 54.739 -0.949 1
1 861 . 20 1 1 A 67 67 ALA CB C 65 19.082 18.336 0.746 1
1 862 . 20 1 1 A 67 67 ALA N N 65 121.228 120.362 0.866 1
1 863 . 20 1 1 A 68 68 LEU H H 66 7.791 8.122 -0.331 1
1 864 . 20 1 1 A 68 68 LEU HA H 66 4.274 3.981 0.293 1
1 874 . 20 1 1 A 68 68 LEU CA C 66 55.593 57.609 -2.016 1
1 875 . 20 1 1 A 68 68 LEU CB C 66 42.329 41.786 0.543 1
1 878 . 20 1 1 A 68 68 LEU N N 66 116.882 119.930 -3.048 1
1 879 . 20 1 1 A 69 69 ASN H H 67 7.914 7.679 0.235 1
1 880 . 20 1 1 A 69 69 ASN HA H 67 4.803 4.691 0.112 1
1 885 . 20 1 1 A 69 69 ASN C C 67 174.039 175.686 -1.647 1
1 886 . 20 1 1 A 69 69 ASN CA C 67 53.434 54.072 -0.638 1
1 887 . 20 1 1 A 69 69 ASN CB C 67 39.601 39.048 0.553 1
1 888 . 20 1 1 A 69 69 ASN N N 67 118.309 115.780 2.529 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 62 1.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 66 1.091 1
3 1 1 1 "RMS(OBS, PRED)" CB 66 1.252 1
4 1 1 1 "RMS(OBS, PRED)" H 61 0.495 1
5 1 1 1 "RMS(OBS, PRED)" HA 66 0.318 1
6 1 1 1 "RMS(OBS, PRED)" N 59 2.361 1
7 1 2 1 "RMS(OBS, PRED)" C 62 0.947 1
8 1 2 1 "RMS(OBS, PRED)" CA 66 1.186 1
9 1 2 1 "RMS(OBS, PRED)" CB 66 1.157 1
10 1 2 1 "RMS(OBS, PRED)" H 61 0.501 1
11 1 2 1 "RMS(OBS, PRED)" HA 66 0.328 1
12 1 2 1 "RMS(OBS, PRED)" N 59 2.370 1
13 1 3 1 "RMS(OBS, PRED)" C 62 1.011 1
14 1 3 1 "RMS(OBS, PRED)" CA 66 1.202 1
15 1 3 1 "RMS(OBS, PRED)" CB 66 1.242 1
16 1 3 1 "RMS(OBS, PRED)" H 61 0.598 1
17 1 3 1 "RMS(OBS, PRED)" HA 66 0.287 1
18 1 3 1 "RMS(OBS, PRED)" N 59 2.216 1
19 1 4 1 "RMS(OBS, PRED)" C 62 0.967 1
20 1 4 1 "RMS(OBS, PRED)" CA 66 1.048 1
21 1 4 1 "RMS(OBS, PRED)" CB 66 1.172 1
22 1 4 1 "RMS(OBS, PRED)" H 61 0.538 1
23 1 4 1 "RMS(OBS, PRED)" HA 66 0.257 1
24 1 4 1 "RMS(OBS, PRED)" N 59 2.162 1
25 1 5 1 "RMS(OBS, PRED)" C 62 1.053 1
26 1 5 1 "RMS(OBS, PRED)" CA 66 1.129 1
27 1 5 1 "RMS(OBS, PRED)" CB 66 1.348 1
28 1 5 1 "RMS(OBS, PRED)" H 61 0.522 1
29 1 5 1 "RMS(OBS, PRED)" HA 66 0.325 1
30 1 5 1 "RMS(OBS, PRED)" N 59 2.173 1
31 1 6 1 "RMS(OBS, PRED)" C 62 0.976 1
32 1 6 1 "RMS(OBS, PRED)" CA 66 1.215 1
33 1 6 1 "RMS(OBS, PRED)" CB 66 1.477 1
34 1 6 1 "RMS(OBS, PRED)" H 61 0.601 1
35 1 6 1 "RMS(OBS, PRED)" HA 66 0.276 1
36 1 6 1 "RMS(OBS, PRED)" N 59 2.932 1
37 1 7 1 "RMS(OBS, PRED)" C 62 1.058 1
38 1 7 1 "RMS(OBS, PRED)" CA 66 1.170 1
39 1 7 1 "RMS(OBS, PRED)" CB 66 1.372 1
40 1 7 1 "RMS(OBS, PRED)" H 61 0.543 1
41 1 7 1 "RMS(OBS, PRED)" HA 66 0.271 1
42 1 7 1 "RMS(OBS, PRED)" N 59 2.282 1
43 1 8 1 "RMS(OBS, PRED)" C 62 0.902 1
44 1 8 1 "RMS(OBS, PRED)" CA 66 1.158 1
45 1 8 1 "RMS(OBS, PRED)" CB 66 1.305 1
46 1 8 1 "RMS(OBS, PRED)" H 61 0.557 1
47 1 8 1 "RMS(OBS, PRED)" HA 66 0.295 1
48 1 8 1 "RMS(OBS, PRED)" N 59 2.506 1
49 1 9 1 "RMS(OBS, PRED)" C 62 0.889 1
50 1 9 1 "RMS(OBS, PRED)" CA 66 1.122 1
51 1 9 1 "RMS(OBS, PRED)" CB 66 1.246 1
52 1 9 1 "RMS(OBS, PRED)" H 61 0.571 1
53 1 9 1 "RMS(OBS, PRED)" HA 66 0.261 1
54 1 9 1 "RMS(OBS, PRED)" N 59 2.541 1
55 1 10 1 "RMS(OBS, PRED)" C 62 1.132 1
56 1 10 1 "RMS(OBS, PRED)" CA 66 1.153 1
57 1 10 1 "RMS(OBS, PRED)" CB 66 1.340 1
58 1 10 1 "RMS(OBS, PRED)" H 61 0.529 1
59 1 10 1 "RMS(OBS, PRED)" HA 66 0.276 1
60 1 10 1 "RMS(OBS, PRED)" N 59 2.664 1
61 1 11 1 "RMS(OBS, PRED)" C 62 0.912 1
62 1 11 1 "RMS(OBS, PRED)" CA 66 1.052 1
63 1 11 1 "RMS(OBS, PRED)" CB 66 1.258 1
64 1 11 1 "RMS(OBS, PRED)" H 61 0.527 1
65 1 11 1 "RMS(OBS, PRED)" HA 66 0.239 1
66 1 11 1 "RMS(OBS, PRED)" N 59 2.079 1
67 1 12 1 "RMS(OBS, PRED)" C 62 1.005 1
68 1 12 1 "RMS(OBS, PRED)" CA 66 1.073 1
69 1 12 1 "RMS(OBS, PRED)" CB 66 1.408 1
70 1 12 1 "RMS(OBS, PRED)" H 61 0.509 1
71 1 12 1 "RMS(OBS, PRED)" HA 66 0.268 1
72 1 12 1 "RMS(OBS, PRED)" N 59 2.002 1
73 1 13 1 "RMS(OBS, PRED)" C 62 0.910 1
74 1 13 1 "RMS(OBS, PRED)" CA 66 1.005 1
75 1 13 1 "RMS(OBS, PRED)" CB 66 1.235 1
76 1 13 1 "RMS(OBS, PRED)" H 61 0.502 1
77 1 13 1 "RMS(OBS, PRED)" HA 66 0.283 1
78 1 13 1 "RMS(OBS, PRED)" N 59 2.228 1
79 1 14 1 "RMS(OBS, PRED)" C 62 0.969 1
80 1 14 1 "RMS(OBS, PRED)" CA 66 1.132 1
81 1 14 1 "RMS(OBS, PRED)" CB 66 1.353 1
82 1 14 1 "RMS(OBS, PRED)" H 61 0.616 1
83 1 14 1 "RMS(OBS, PRED)" HA 66 0.296 1
84 1 14 1 "RMS(OBS, PRED)" N 59 2.437 1
85 1 15 1 "RMS(OBS, PRED)" C 62 0.953 1
86 1 15 1 "RMS(OBS, PRED)" CA 66 0.998 1
87 1 15 1 "RMS(OBS, PRED)" CB 66 1.430 1
88 1 15 1 "RMS(OBS, PRED)" H 61 0.544 1
89 1 15 1 "RMS(OBS, PRED)" HA 66 0.309 1
90 1 15 1 "RMS(OBS, PRED)" N 59 2.644 1
91 1 16 1 "RMS(OBS, PRED)" C 62 1.060 1
92 1 16 1 "RMS(OBS, PRED)" CA 66 1.115 1
93 1 16 1 "RMS(OBS, PRED)" CB 66 1.333 1
94 1 16 1 "RMS(OBS, PRED)" H 61 0.627 1
95 1 16 1 "RMS(OBS, PRED)" HA 66 0.330 1
96 1 16 1 "RMS(OBS, PRED)" N 59 2.518 1
97 1 17 1 "RMS(OBS, PRED)" C 62 1.036 1
98 1 17 1 "RMS(OBS, PRED)" CA 66 1.107 1
99 1 17 1 "RMS(OBS, PRED)" CB 66 1.201 1
100 1 17 1 "RMS(OBS, PRED)" H 61 0.558 1
101 1 17 1 "RMS(OBS, PRED)" HA 66 0.283 1
102 1 17 1 "RMS(OBS, PRED)" N 59 2.056 1
103 1 18 1 "RMS(OBS, PRED)" C 62 1.029 1
104 1 18 1 "RMS(OBS, PRED)" CA 66 1.301 1
105 1 18 1 "RMS(OBS, PRED)" CB 66 1.236 1
106 1 18 1 "RMS(OBS, PRED)" H 61 0.545 1
107 1 18 1 "RMS(OBS, PRED)" HA 66 0.326 1
108 1 18 1 "RMS(OBS, PRED)" N 59 2.476 1
109 1 19 1 "RMS(OBS, PRED)" C 62 0.998 1
110 1 19 1 "RMS(OBS, PRED)" CA 66 1.096 1
111 1 19 1 "RMS(OBS, PRED)" CB 66 1.155 1
112 1 19 1 "RMS(OBS, PRED)" H 61 0.519 1
113 1 19 1 "RMS(OBS, PRED)" HA 66 0.278 1
114 1 19 1 "RMS(OBS, PRED)" N 59 2.468 1
115 1 20 1 "RMS(OBS, PRED)" C 62 0.980 1
116 1 20 1 "RMS(OBS, PRED)" CA 66 1.169 1
117 1 20 1 "RMS(OBS, PRED)" CB 66 1.576 1
118 1 20 1 "RMS(OBS, PRED)" H 61 0.629 1
119 1 20 1 "RMS(OBS, PRED)" HA 66 0.310 1
120 1 20 1 "RMS(OBS, PRED)" N 59 2.478 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 18 . 1 1 A 4 4 PRO HA H 2 4.416 4.637 -0.221 2
1 25 . 1 1 A 4 4 PRO C C 2 176.996 176.543 0.453 2
1 26 . 1 1 A 4 4 PRO CA C 2 63.494 63.026 0.468 2
1 27 . 1 1 A 4 4 PRO CB C 2 32.161 31.727 0.434 2
1 30 . 1 1 A 5 5 VAL H H 3 8.227 8.252 -0.025 2
1 31 . 1 1 A 5 5 VAL HA H 3 4.058 4.286 -0.228 2
1 39 . 1 1 A 5 5 VAL C C 3 176.376 175.243 1.133 2
1 40 . 1 1 A 5 5 VAL CA C 3 62.495 62.011 0.484 2
1 41 . 1 1 A 5 5 VAL CB C 3 32.808 32.637 0.171 2
1 43 . 1 1 A 5 5 VAL N N 3 121.008 120.478 0.530 2
1 44 . 1 1 A 6 6 SER H H 4 8.270 8.428 -0.158 2
1 45 . 1 1 A 6 6 SER HA H 4 4.409 4.707 -0.298 2
1 48 . 1 1 A 6 6 SER C C 4 174.577 173.244 1.333 2
1 49 . 1 1 A 6 6 SER CA C 4 58.148 57.754 0.394 2
1 50 . 1 1 A 6 6 SER CB C 4 63.870 64.071 -0.201 2
1 51 . 1 1 A 6 6 SER N N 4 119.573 118.926 0.647 2
1 52 . 1 1 A 7 7 LEU H H 5 8.273 8.443 -0.170 2
1 53 . 1 1 A 7 7 LEU HA H 5 4.320 4.588 -0.268 2
1 63 . 1 1 A 7 7 LEU C C 5 177.341 176.223 1.118 2
1 64 . 1 1 A 7 7 LEU CA C 5 55.388 54.221 1.166 2
1 65 . 1 1 A 7 7 LEU CB C 5 42.650 42.597 0.053 2
1 68 . 1 1 A 7 7 LEU N N 5 125.039 126.499 -1.460 2
1 69 . 1 1 A 8 8 SER H H 6 8.127 8.464 -0.337 2
1 70 . 1 1 A 8 8 SER HA H 6 4.335 4.565 -0.230 2
1 73 . 1 1 A 8 8 SER C C 6 174.189 173.579 0.610 2
1 74 . 1 1 A 8 8 SER CA C 6 58.433 58.558 -0.125 2
1 75 . 1 1 A 8 8 SER CB C 6 63.870 63.638 0.232 2
1 76 . 1 1 A 8 8 SER N N 6 116.154 119.395 -3.241 2
1 77 . 1 1 A 9 9 TYR H H 7 7.971 8.407 -0.436 2
1 78 . 1 1 A 9 9 TYR HA H 7 4.502 4.819 -0.317 2
1 85 . 1 1 A 9 9 TYR C C 7 175.520 175.767 -0.247 2
1 86 . 1 1 A 9 9 TYR CA C 7 58.008 57.698 0.310 2
1 87 . 1 1 A 9 9 TYR CB C 7 38.956 39.443 -0.487 2
1 90 . 1 1 A 9 9 TYR N N 7 122.213 122.459 -0.246 2
1 91 . 1 1 A 10 10 ARG H H 8 8.118 8.676 -0.558 2
1 92 . 1 1 A 10 10 ARG HA H 8 4.253 4.583 -0.330 2
1 99 . 1 1 A 10 10 ARG C C 8 175.918 175.379 0.539 2
1 100 . 1 1 A 10 10 ARG CA C 8 56.104 55.912 0.192 2
1 101 . 1 1 A 10 10 ARG CB C 8 30.875 31.708 -0.833 2
1 104 . 1 1 A 10 10 ARG N N 8 122.182 120.296 1.886 2
1 105 . 1 1 A 11 11 CYS H H 9 8.097 8.244 -0.147 2
1 106 . 1 1 A 11 11 CYS HA H 9 4.909 5.010 -0.101 2
1 109 . 1 1 A 11 11 CYS C C 9 173.615 173.631 -0.016 2
1 110 . 1 1 A 11 11 CYS CA C 9 53.127 54.020 -0.893 2
1 111 . 1 1 A 11 11 CYS CB C 9 40.218 44.000 -3.782 2
1 112 . 1 1 A 11 11 CYS N N 9 121.280 118.554 2.726 2
1 113 . 1 1 A 12 12 PRO HA H 10 4.275 4.293 -0.018 2
1 120 . 1 1 A 12 12 PRO C C 10 177.703 176.615 1.088 2
1 121 . 1 1 A 12 12 PRO CA C 10 64.859 64.995 -0.136 2
1 122 . 1 1 A 12 12 PRO CB C 10 32.508 31.534 0.974 2
1 125 . 1 1 A 13 13 CYS H H 11 8.248 7.884 0.364 2
1 126 . 1 1 A 13 13 CYS HA H 11 4.827 4.653 0.174 2
1 129 . 1 1 A 13 13 CYS C C 11 174.202 172.900 1.302 2
1 130 . 1 1 A 13 13 CYS CA C 11 53.429 54.931 -1.502 2
1 131 . 1 1 A 13 13 CYS CB C 11 39.603 44.189 -4.586 2
1 132 . 1 1 A 13 13 CYS N N 11 114.161 115.441 -1.280 2
1 133 . 1 1 A 14 14 ARG HA H 12 3.984 4.313 -0.329 2
1 140 . 1 1 A 14 14 ARG C C 12 175.202 175.764 -0.562 2
1 141 . 1 1 A 14 14 ARG CA C 12 57.293 56.952 0.341 2
1 142 . 1 1 A 14 14 ARG CB C 12 31.098 31.604 -0.506 2
1 145 . 1 1 A 15 15 PHE H H 13 7.524 7.455 0.069 2
1 146 . 1 1 A 15 15 PHE HA H 13 4.488 5.035 -0.547 2
1 154 . 1 1 A 15 15 PHE C C 13 174.226 173.973 0.253 2
1 155 . 1 1 A 15 15 PHE CA C 13 55.971 55.420 0.551 2
1 156 . 1 1 A 15 15 PHE CB C 13 41.059 41.983 -0.924 2
1 160 . 1 1 A 15 15 PHE N N 13 116.175 115.271 0.904 2
1 161 . 1 1 A 16 16 PHE H H 14 8.309 9.164 -0.855 2
1 162 . 1 1 A 16 16 PHE HA H 14 4.794 5.095 -0.300 2
1 170 . 1 1 A 16 16 PHE C C 14 175.247 175.050 0.197 2
1 171 . 1 1 A 16 16 PHE CA C 14 55.559 56.183 -0.624 2
1 172 . 1 1 A 16 16 PHE CB C 14 41.220 43.019 -1.799 2
1 176 . 1 1 A 16 16 PHE N N 14 119.656 118.810 0.846 2
1 177 . 1 1 A 17 17 GLU H H 15 8.904 9.667 -0.763 2
1 178 . 1 1 A 17 17 GLU HA H 15 4.525 4.693 -0.168 2
1 183 . 1 1 A 17 17 GLU C C 15 176.747 176.982 -0.235 2
1 184 . 1 1 A 17 17 GLU CA C 15 56.012 56.491 -0.479 2
1 185 . 1 1 A 17 17 GLU CB C 15 30.894 30.778 0.116 2
1 187 . 1 1 A 17 17 GLU N N 15 122.929 123.504 -0.575 2
1 188 . 1 1 A 18 18 SER H H 16 8.752 8.879 -0.127 2
1 189 . 1 1 A 18 18 SER HA H 16 4.708 4.729 -0.022 2
1 192 . 1 1 A 18 18 SER C C 16 174.278 174.489 -0.211 2
1 193 . 1 1 A 18 18 SER CA C 16 59.799 58.157 1.642 2
1 194 . 1 1 A 18 18 SER CB C 16 64.023 64.093 -0.070 2
1 195 . 1 1 A 18 18 SER N N 16 119.679 119.627 0.052 2
1 196 . 1 1 A 19 19 HIS H H 17 9.044 7.984 1.060 2
1 197 . 1 1 A 19 19 HIS HA H 17 4.873 4.918 -0.045 2
1 202 . 1 1 A 19 19 HIS C C 17 174.580 174.530 0.050 2
1 203 . 1 1 A 19 19 HIS CA C 17 56.240 55.350 0.890 2
1 204 . 1 1 A 19 19 HIS CB C 17 28.272 30.368 -2.096 2
1 207 . 1 1 A 19 19 HIS N N 17 120.269 119.883 0.386 2
1 208 . 1 1 A 20 20 VAL H H 18 7.212 8.077 -0.865 2
1 209 . 1 1 A 20 20 VAL HA H 18 4.226 4.268 -0.042 2
1 217 . 1 1 A 20 20 VAL C C 18 174.138 174.850 -0.712 2
1 218 . 1 1 A 20 20 VAL CA C 18 61.605 61.873 -0.268 2
1 219 . 1 1 A 20 20 VAL CB C 18 34.102 33.844 0.258 2
1 221 . 1 1 A 20 20 VAL N N 18 119.528 122.429 -2.901 2
1 222 . 1 1 A 21 21 ALA H H 19 8.553 8.338 0.215 2
1 223 . 1 1 A 21 21 ALA HA H 19 4.340 4.469 -0.129 2
1 227 . 1 1 A 21 21 ALA C C 19 177.514 177.437 0.077 2
1 228 . 1 1 A 21 21 ALA CA C 19 50.666 50.394 0.272 2
1 229 . 1 1 A 21 21 ALA CB C 19 19.660 20.503 -0.843 2
1 230 . 1 1 A 21 21 ALA N N 19 131.180 128.894 2.286 2
1 231 . 1 1 A 22 22 ARG H H 20 7.726 8.089 -0.363 2
1 232 . 1 1 A 22 22 ARG HA H 20 2.590 3.091 -0.501 2
1 239 . 1 1 A 22 22 ARG C C 20 178.531 177.198 1.333 2
1 240 . 1 1 A 22 22 ARG CA C 20 59.155 58.323 0.832 2
1 241 . 1 1 A 22 22 ARG CB C 20 29.167 29.287 -0.120 2
1 244 . 1 1 A 22 22 ARG N N 20 124.436 123.274 1.162 2
1 245 . 1 1 A 23 23 ALA H H 21 8.150 7.524 0.626 2
1 246 . 1 1 A 23 23 ALA HA H 21 4.019 4.110 -0.091 2
1 250 . 1 1 A 23 23 ALA C C 21 177.743 178.251 -0.508 2
1 251 . 1 1 A 23 23 ALA CA C 21 53.809 53.367 0.442 2
1 252 . 1 1 A 23 23 ALA CB C 21 18.688 18.527 0.161 2
1 253 . 1 1 A 23 23 ALA N N 21 117.354 120.934 -3.580 2
1 254 . 1 1 A 24 24 ASN H H 22 7.706 7.832 -0.126 2
1 255 . 1 1 A 24 24 ASN HA H 22 4.906 4.740 0.166 2
1 260 . 1 1 A 24 24 ASN C C 22 174.889 175.124 -0.235 2
1 261 . 1 1 A 24 24 ASN CA C 22 52.590 53.535 -0.945 2
1 262 . 1 1 A 24 24 ASN CB C 22 40.335 39.062 1.273 2
1 263 . 1 1 A 24 24 ASN N N 22 112.797 115.150 -2.353 2
1 265 . 1 1 A 25 25 VAL H H 23 7.457 7.232 0.225 2
1 266 . 1 1 A 25 25 VAL HA H 23 4.326 4.290 0.036 2
1 274 . 1 1 A 25 25 VAL C C 23 174.594 175.912 -1.318 2
1 275 . 1 1 A 25 25 VAL CA C 23 62.406 61.667 0.739 2
1 276 . 1 1 A 25 25 VAL CB C 23 33.445 32.771 0.674 2
1 278 . 1 1 A 25 25 VAL N N 23 118.772 118.787 -0.015 2
1 279 . 1 1 A 26 26 LYS H H 24 9.261 9.318 -0.057 2
1 280 . 1 1 A 26 26 LYS HA H 24 4.406 4.433 -0.027 2
1 289 . 1 1 A 26 26 LYS C C 24 175.247 176.340 -1.093 2
1 290 . 1 1 A 26 26 LYS CA C 24 56.483 57.367 -0.884 2
1 291 . 1 1 A 26 26 LYS CB C 24 35.023 33.557 1.466 2
1 295 . 1 1 A 26 26 LYS N N 24 125.197 122.884 2.313 2
1 296 . 1 1 A 27 27 HIS H H 25 7.811 7.258 0.553 2
1 297 . 1 1 A 27 27 HIS HA H 25 4.627 4.935 -0.308 2
1 302 . 1 1 A 27 27 HIS C C 25 173.157 172.644 0.513 2
1 303 . 1 1 A 27 27 HIS CA C 25 55.463 55.749 -0.286 2
1 304 . 1 1 A 27 27 HIS CB C 25 31.832 32.859 -1.027 2
1 307 . 1 1 A 27 27 HIS N N 25 115.509 118.179 -2.670 2
1 308 . 1 1 A 28 28 LEU H H 26 8.311 8.963 -0.652 2
1 309 . 1 1 A 28 28 LEU HA H 26 4.991 4.940 0.051 2
1 319 . 1 1 A 28 28 LEU C C 26 175.514 175.262 0.252 2
1 320 . 1 1 A 28 28 LEU CA C 26 54.662 53.318 1.344 2
1 321 . 1 1 A 28 28 LEU CB C 26 45.594 44.129 1.465 2
1 325 . 1 1 A 29 29 LYS H H 27 9.003 9.191 -0.188 2
1 326 . 1 1 A 29 29 LYS HA H 27 4.578 4.824 -0.246 2
1 335 . 1 1 A 29 29 LYS C C 27 173.758 174.816 -1.058 2
1 336 . 1 1 A 29 29 LYS CA C 27 54.945 54.823 0.122 2
1 337 . 1 1 A 29 29 LYS CB C 27 36.358 35.382 0.976 2
1 341 . 1 1 A 29 29 LYS N N 27 122.740 124.902 -2.162 2
1 342 . 1 1 A 30 30 ILE H H 28 8.526 8.959 -0.433 2
1 343 . 1 1 A 30 30 ILE HA H 28 4.623 4.774 -0.151 2
1 353 . 1 1 A 30 30 ILE C C 28 175.988 174.643 1.345 2
1 354 . 1 1 A 30 30 ILE CA C 28 60.122 60.402 -0.280 2
1 355 . 1 1 A 30 30 ILE CB C 28 38.795 38.999 -0.204 2
1 359 . 1 1 A 30 30 ILE N N 28 123.517 127.786 -4.269 2
1 360 . 1 1 A 31 31 LEU H H 29 8.910 9.718 -0.808 2
1 361 . 1 1 A 31 31 LEU HA H 29 4.553 5.149 -0.596 2
1 371 . 1 1 A 31 31 LEU C C 29 176.005 175.304 0.701 2
1 372 . 1 1 A 31 31 LEU CA C 29 53.975 53.478 0.497 2
1 373 . 1 1 A 31 31 LEU CB C 29 43.485 44.977 -1.492 2
1 376 . 1 1 A 31 31 LEU N N 29 128.881 129.869 -0.988 2
1 377 . 1 1 A 32 32 ASN H H 30 8.710 8.996 -0.286 2
1 378 . 1 1 A 32 32 ASN HA H 30 4.954 5.522 -0.568 2
1 383 . 1 1 A 32 32 ASN C C 30 174.462 174.477 -0.015 2
1 384 . 1 1 A 32 32 ASN CA C 30 52.413 51.699 0.714 2
1 385 . 1 1 A 32 32 ASN CB C 30 39.232 40.021 -0.789 2
1 386 . 1 1 A 32 32 ASN N N 30 124.019 124.475 -0.456 2
1 388 . 1 1 A 33 33 THR H H 31 8.094 8.802 -0.708 2
1 389 . 1 1 A 33 33 THR HA H 31 4.628 4.745 -0.117 2
1 394 . 1 1 A 33 33 THR CA C 31 59.475 59.014 0.461 2
1 395 . 1 1 A 33 33 THR CB C 31 70.459 71.456 -0.997 2
1 397 . 1 1 A 33 33 THR N N 31 118.961 117.463 1.498 2
1 398 . 1 1 A 34 34 PRO HA H 32 4.206 4.315 -0.109 2
1 405 . 1 1 A 34 34 PRO C C 32 176.814 177.350 -0.536 2
1 406 . 1 1 A 34 34 PRO CA C 32 64.445 65.216 -0.771 2
1 407 . 1 1 A 34 34 PRO CB C 32 32.170 31.730 0.440 2
1 410 . 1 1 A 35 35 ASN H H 33 8.504 8.460 0.044 2
1 411 . 1 1 A 35 35 ASN HA H 33 4.342 4.795 -0.453 2
1 416 . 1 1 A 35 35 ASN C C 33 174.344 176.006 -1.662 2
1 417 . 1 1 A 35 35 ASN CA C 33 54.945 53.336 1.609 2
1 418 . 1 1 A 35 35 ASN CB C 33 38.122 39.254 -1.132 2
1 419 . 1 1 A 35 35 ASN N N 33 113.042 113.522 -0.480 2
1 421 . 1 1 A 36 36 CYS H H 34 7.526 7.879 -0.353 2
1 422 . 1 1 A 36 36 CYS HA H 34 4.878 4.713 0.165 2
1 425 . 1 1 A 36 36 CYS C C 34 173.880 174.069 -0.189 2
1 426 . 1 1 A 36 36 CYS CA C 34 54.622 56.222 -1.600 2
1 427 . 1 1 A 36 36 CYS CB C 34 44.780 43.201 1.579 2
1 428 . 1 1 A 36 36 CYS N N 34 116.301 116.275 0.026 2
1 429 . 1 1 A 37 37 ALA H H 35 8.395 7.595 0.800 2
1 430 . 1 1 A 37 37 ALA HA H 35 4.205 4.112 0.093 2
1 434 . 1 1 A 37 37 ALA C C 35 176.677 176.428 0.249 2
1 435 . 1 1 A 37 37 ALA CA C 35 52.413 53.817 -1.404 2
1 436 . 1 1 A 37 37 ALA CB C 35 18.968 18.598 0.370 2
1 437 . 1 1 A 37 37 ALA N N 35 125.001 121.798 3.203 2
1 438 . 1 1 A 38 38 LEU H H 36 8.004 8.320 -0.316 2
1 439 . 1 1 A 38 38 LEU HA H 36 4.206 4.757 -0.551 2
1 449 . 1 1 A 38 38 LEU C C 36 176.194 175.414 0.780 2
1 450 . 1 1 A 38 38 LEU CA C 36 56.563 54.119 2.444 2
1 451 . 1 1 A 38 38 LEU CB C 36 42.465 42.967 -0.502 2
1 455 . 1 1 A 38 38 LEU N N 36 121.548 119.266 2.282 2
1 456 . 1 1 A 39 39 GLN H H 37 8.471 9.322 -0.851 2
1 457 . 1 1 A 39 39 GLN HA H 37 4.621 4.970 -0.349 2
1 464 . 1 1 A 39 39 GLN C C 37 173.581 174.581 -1.000 2
1 465 . 1 1 A 39 39 GLN CA C 37 54.172 54.748 -0.576 2
1 466 . 1 1 A 39 39 GLN CB C 37 32.461 31.043 1.418 2
1 468 . 1 1 A 39 39 GLN N N 37 123.271 123.907 -0.636 2
1 470 . 1 1 A 40 40 ILE H H 38 9.429 8.643 0.786 2
1 471 . 1 1 A 40 40 ILE HA H 38 4.718 4.768 -0.050 2
1 481 . 1 1 A 40 40 ILE C C 38 174.547 175.460 -0.913 2
1 482 . 1 1 A 40 40 ILE CA C 38 60.122 60.077 0.045 2
1 483 . 1 1 A 40 40 ILE CB C 38 38.899 39.256 -0.357 2
1 487 . 1 1 A 40 40 ILE N N 38 124.702 124.820 -0.118 2
1 488 . 1 1 A 41 41 VAL H H 39 8.872 9.061 -0.189 2
1 489 . 1 1 A 41 41 VAL HA H 39 5.027 4.958 0.069 2
1 497 . 1 1 A 41 41 VAL C C 39 174.772 174.839 -0.067 2
1 498 . 1 1 A 41 41 VAL CA C 39 60.111 61.113 -1.002 2
1 499 . 1 1 A 41 41 VAL CB C 39 34.767 33.619 1.148 2
1 501 . 1 1 A 41 41 VAL N N 39 124.441 128.112 -3.671 2
1 502 . 1 1 A 42 42 ALA H H 40 9.305 9.168 0.137 2
1 503 . 1 1 A 42 42 ALA HA H 40 5.289 5.386 -0.097 2
1 507 . 1 1 A 42 42 ALA C C 40 175.955 175.609 0.346 2
1 508 . 1 1 A 42 42 ALA CA C 40 50.093 50.722 -0.629 2
1 509 . 1 1 A 42 42 ALA CB C 40 24.063 22.985 1.078 2
1 510 . 1 1 A 42 42 ALA N N 40 126.567 128.568 -2.001 2
1 511 . 1 1 A 43 43 ARG H H 41 8.393 8.535 -0.142 2
1 512 . 1 1 A 43 43 ARG HA H 41 5.119 5.246 -0.127 2
1 519 . 1 1 A 43 43 ARG C C 41 176.184 175.783 0.401 2
1 520 . 1 1 A 43 43 ARG CA C 41 53.900 54.826 -0.926 2
1 521 . 1 1 A 43 43 ARG CB C 41 32.306 32.599 -0.293 2
1 524 . 1 1 A 43 43 ARG N N 41 118.991 122.344 -3.353 2
1 525 . 1 1 A 44 44 LEU H H 42 9.010 9.005 0.005 2
1 526 . 1 1 A 44 44 LEU HA H 42 4.934 4.811 0.123 2
1 536 . 1 1 A 44 44 LEU C C 42 178.369 177.834 0.535 2
1 537 . 1 1 A 44 44 LEU CA C 42 54.329 54.165 0.164 2
1 538 . 1 1 A 44 44 LEU CB C 42 41.497 42.317 -0.820 2
1 542 . 1 1 A 44 44 LEU N N 42 125.764 124.968 0.796 2
1 543 . 1 1 A 45 45 LYS H H 43 8.474 9.389 -0.915 2
1 544 . 1 1 A 45 45 LYS HA H 43 3.821 3.982 -0.161 2
1 553 . 1 1 A 45 45 LYS CA C 43 59.340 59.369 -0.029 2
1 554 . 1 1 A 45 45 LYS CB C 43 33.445 32.683 0.762 2
1 558 . 1 1 A 45 45 LYS N N 43 120.489 122.335 -1.846 2
1 559 . 1 1 A 46 46 ASN H H 44 8.657 7.974 0.683 2
1 560 . 1 1 A 46 46 ASN HA H 44 4.433 4.465 -0.032 2
1 565 . 1 1 A 46 46 ASN C C 44 175.970 177.407 -1.437 2
1 566 . 1 1 A 46 46 ASN CA C 44 55.457 56.061 -0.604 2
1 567 . 1 1 A 46 46 ASN CB C 44 37.507 38.659 -1.152 2
1 569 . 1 1 A 47 47 ASN H H 45 7.566 7.863 -0.297 2
1 570 . 1 1 A 47 47 ASN HA H 45 4.654 4.790 -0.136 2
1 575 . 1 1 A 47 47 ASN C C 45 175.461 175.132 0.329 2
1 576 . 1 1 A 47 47 ASN CA C 45 52.769 54.516 -1.747 2
1 577 . 1 1 A 47 47 ASN CB C 45 39.203 39.154 0.049 2
1 578 . 1 1 A 47 47 ASN N N 45 115.277 116.588 -1.311 2
1 580 . 1 1 A 48 48 ASN H H 46 8.008 8.180 -0.172 2
1 581 . 1 1 A 48 48 ASN HA H 46 4.649 4.736 -0.087 2
1 586 . 1 1 A 48 48 ASN C C 46 174.812 174.177 0.635 2
1 587 . 1 1 A 48 48 ASN CA C 46 54.491 54.582 -0.091 2
1 588 . 1 1 A 48 48 ASN CB C 46 39.092 38.077 1.015 2
1 589 . 1 1 A 48 48 ASN N N 46 116.416 117.543 -1.127 2
1 591 . 1 1 A 49 49 ARG H H 47 7.918 7.821 0.097 2
1 592 . 1 1 A 49 49 ARG HA H 47 4.206 4.338 -0.132 2
1 599 . 1 1 A 49 49 ARG C C 47 175.719 175.217 0.502 2
1 600 . 1 1 A 49 49 ARG CA C 47 57.084 56.357 0.727 2
1 601 . 1 1 A 49 49 ARG CB C 47 31.785 31.223 0.562 2
1 604 . 1 1 A 49 49 ARG N N 47 120.017 120.329 -0.312 2
1 605 . 1 1 A 50 50 GLN H H 48 8.617 8.666 -0.049 2
1 606 . 1 1 A 50 50 GLN HA H 48 5.212 5.038 0.174 2
1 613 . 1 1 A 50 50 GLN C C 48 175.697 175.530 0.167 2
1 614 . 1 1 A 50 50 GLN CA C 48 55.454 54.895 0.559 2
1 615 . 1 1 A 50 50 GLN CB C 48 30.953 30.426 0.527 2
1 617 . 1 1 A 50 50 GLN N N 48 123.029 123.043 -0.014 2
1 619 . 1 1 A 51 51 VAL H H 49 9.009 9.328 -0.319 2
1 620 . 1 1 A 51 51 VAL HA H 49 4.747 4.955 -0.208 2
1 628 . 1 1 A 51 51 VAL C C 49 174.561 174.482 0.079 2
1 629 . 1 1 A 51 51 VAL CA C 49 59.266 58.985 0.281 2
1 630 . 1 1 A 51 51 VAL CB C 49 35.845 35.364 0.481 2
1 633 . 1 1 A 51 51 VAL N N 49 119.358 119.586 -0.228 2
1 634 . 1 1 A 52 52 CYS H H 50 8.850 8.607 0.243 2
1 635 . 1 1 A 52 52 CYS HA H 50 5.605 5.752 -0.147 2
1 638 . 1 1 A 52 52 CYS C C 50 174.469 172.723 1.746 2
1 639 . 1 1 A 52 52 CYS CA C 50 56.377 54.629 1.748 2
1 640 . 1 1 A 52 52 CYS CB C 50 44.694 44.100 0.594 2
1 641 . 1 1 A 52 52 CYS N N 50 120.834 119.386 1.448 2
1 642 . 1 1 A 53 53 ILE H H 51 8.656 9.500 -0.844 2
1 643 . 1 1 A 53 53 ILE HA H 51 4.461 4.747 -0.286 2
1 653 . 1 1 A 53 53 ILE C C 51 174.137 174.675 -0.538 2
1 654 . 1 1 A 53 53 ILE CA C 51 59.671 60.019 -0.348 2
1 655 . 1 1 A 53 53 ILE CB C 51 39.603 41.424 -1.821 2
1 659 . 1 1 A 53 53 ILE N N 51 122.740 124.705 -1.965 2
1 660 . 1 1 A 54 54 ASP H H 52 7.746 8.099 -0.353 2
1 661 . 1 1 A 54 54 ASP HA H 52 3.650 4.296 -0.646 2
1 664 . 1 1 A 54 54 ASP CA C 52 51.578 51.624 -0.046 2
1 665 . 1 1 A 54 54 ASP CB C 52 42.384 42.161 0.223 2
1 666 . 1 1 A 54 54 ASP N N 52 126.398 126.538 -0.140 2
1 667 . 1 1 A 55 55 PRO HA H 53 3.990 4.279 -0.289 2
1 674 . 1 1 A 55 55 PRO C C 53 176.274 176.971 -0.697 2
1 675 . 1 1 A 55 55 PRO CA C 53 63.546 64.145 -0.599 2
1 676 . 1 1 A 55 55 PRO CB C 53 32.272 31.670 0.602 2
1 679 . 1 1 A 56 56 LYS H H 54 8.054 8.291 -0.237 2
1 680 . 1 1 A 56 56 LYS HA H 54 3.954 4.259 -0.305 2
1 689 . 1 1 A 56 56 LYS C C 54 177.867 176.601 1.266 2
1 690 . 1 1 A 56 56 LYS CA C 54 56.189 56.309 -0.120 2
1 691 . 1 1 A 56 56 LYS CB C 54 31.680 32.220 -0.540 2
1 695 . 1 1 A 56 56 LYS N N 54 115.161 115.648 -0.487 2
1 696 . 1 1 A 57 57 LEU H H 55 7.172 6.870 0.302 2
1 697 . 1 1 A 57 57 LEU HA H 55 4.021 4.134 -0.113 2
1 707 . 1 1 A 57 57 LEU C C 55 179.221 177.682 1.539 2
1 708 . 1 1 A 57 57 LEU CA C 55 55.781 55.254 0.527 2
1 709 . 1 1 A 57 57 LEU CB C 55 41.739 41.681 0.058 2
1 713 . 1 1 A 57 57 LEU N N 55 120.921 122.620 -1.699 2
1 714 . 1 1 A 58 58 LYS H H 56 8.753 8.822 -0.069 2
1 715 . 1 1 A 58 58 LYS HA H 56 3.898 3.923 -0.025 2
1 724 . 1 1 A 58 58 LYS C C 56 179.161 178.283 0.878 2
1 725 . 1 1 A 58 58 LYS CA C 56 60.318 59.531 0.787 2
1 726 . 1 1 A 58 58 LYS CB C 56 32.100 32.142 -0.042 2
1 730 . 1 1 A 58 58 LYS N N 56 125.449 124.216 1.233 2
1 731 . 1 1 A 59 59 TRP H H 57 7.889 8.293 -0.405 2
1 732 . 1 1 A 59 59 TRP HA H 57 4.612 4.622 -0.010 2
1 741 . 1 1 A 59 59 TRP C C 57 178.642 179.119 -0.477 2
1 742 . 1 1 A 59 59 TRP CA C 57 58.388 59.644 -1.256 2
1 743 . 1 1 A 59 59 TRP CB C 57 27.954 28.002 -0.048 2
1 749 . 1 1 A 59 59 TRP N N 57 113.858 119.200 -5.342 2
1 751 . 1 1 A 60 60 ILE H H 58 6.296 7.488 -1.192 2
1 752 . 1 1 A 60 60 ILE HA H 58 3.627 3.381 0.246 2
1 762 . 1 1 A 60 60 ILE C C 58 177.104 177.645 -0.541 2
1 763 . 1 1 A 60 60 ILE CA C 58 61.605 64.274 -2.669 2
1 764 . 1 1 A 60 60 ILE CB C 58 36.043 36.196 -0.153 2
1 768 . 1 1 A 60 60 ILE N N 58 123.265 122.033 1.232 2
1 769 . 1 1 A 61 61 GLN H H 59 7.650 8.380 -0.730 2
1 770 . 1 1 A 61 61 GLN HA H 59 3.811 3.916 -0.105 2
1 777 . 1 1 A 61 61 GLN C C 59 178.933 179.014 -0.081 2
1 778 . 1 1 A 61 61 GLN CA C 59 59.663 59.081 0.582 2
1 779 . 1 1 A 61 61 GLN CB C 59 27.972 28.314 -0.342 2
1 781 . 1 1 A 61 61 GLN N N 59 120.850 119.111 1.739 2
1 783 . 1 1 A 62 62 GLU H H 60 8.057 8.026 0.031 2
1 784 . 1 1 A 62 62 GLU HA H 60 4.081 4.095 -0.014 2
1 789 . 1 1 A 62 62 GLU C C 60 178.539 178.496 0.042 2
1 790 . 1 1 A 62 62 GLU CA C 60 59.152 59.282 -0.130 2
1 791 . 1 1 A 62 62 GLU CB C 60 29.896 29.479 0.417 2
1 793 . 1 1 A 62 62 GLU N N 60 117.976 120.499 -2.522 2
1 794 . 1 1 A 63 63 TYR H H 61 8.004 8.235 -0.230 2
1 795 . 1 1 A 63 63 TYR HA H 61 4.216 4.201 0.015 2
1 802 . 1 1 A 63 63 TYR C C 61 178.157 177.011 1.146 2
1 803 . 1 1 A 63 63 TYR CA C 61 61.281 61.383 -0.102 2
1 804 . 1 1 A 63 63 TYR CB C 61 38.956 38.698 0.258 2
1 807 . 1 1 A 63 63 TYR N N 61 120.743 122.328 -1.585 2
1 808 . 1 1 A 64 64 LEU H H 62 8.460 8.689 -0.229 2
1 809 . 1 1 A 64 64 LEU HA H 62 3.850 3.597 0.253 2
1 819 . 1 1 A 64 64 LEU C C 62 178.678 179.029 -0.351 2
1 820 . 1 1 A 64 64 LEU CA C 62 57.619 57.534 0.085 2
1 821 . 1 1 A 64 64 LEU CB C 62 41.868 41.132 0.736 2
1 825 . 1 1 A 64 64 LEU N N 62 119.052 119.268 -0.216 2
1 826 . 1 1 A 65 65 GLU H H 63 7.850 8.473 -0.623 2
1 827 . 1 1 A 65 65 GLU HA H 63 3.974 3.866 0.108 2
1 832 . 1 1 A 65 65 GLU C C 63 178.447 178.853 -0.406 2
1 833 . 1 1 A 65 65 GLU CA C 63 59.143 59.869 -0.726 2
1 834 . 1 1 A 65 65 GLU CB C 63 29.721 29.286 0.435 2
1 836 . 1 1 A 65 65 GLU N N 63 118.310 119.444 -1.134 2
1 837 . 1 1 A 66 66 LYS H H 64 7.648 8.117 -0.469 2
1 838 . 1 1 A 66 66 LYS HA H 64 4.156 3.987 0.169 2
1 847 . 1 1 A 66 66 LYS C C 64 177.941 178.668 -0.727 2
1 848 . 1 1 A 66 66 LYS CA C 64 57.820 59.382 -1.562 2
1 849 . 1 1 A 66 66 LYS CB C 64 32.620 32.302 0.318 2
1 853 . 1 1 A 66 66 LYS N N 64 117.638 120.410 -2.772 2
1 854 . 1 1 A 67 67 ALA H H 65 8.004 8.072 -0.068 2
1 855 . 1 1 A 67 67 ALA HA H 65 4.068 3.964 0.104 2
1 859 . 1 1 A 67 67 ALA C C 65 178.624 180.197 -1.573 2
1 860 . 1 1 A 67 67 ALA CA C 65 53.790 54.693 -0.903 2
1 861 . 1 1 A 67 67 ALA CB C 65 19.082 18.265 0.817 2
1 862 . 1 1 A 67 67 ALA N N 65 121.228 120.496 0.732 2
1 863 . 1 1 A 68 68 LEU H H 66 7.791 8.233 -0.442 2
1 864 . 1 1 A 68 68 LEU HA H 66 4.274 4.002 0.272 2
1 874 . 1 1 A 68 68 LEU CA C 66 55.593 57.414 -1.821 2
1 875 . 1 1 A 68 68 LEU CB C 66 42.329 41.697 0.633 2
1 878 . 1 1 A 68 68 LEU N N 66 116.882 119.892 -3.010 2
1 879 . 1 1 A 69 69 ASN H H 67 7.914 8.065 -0.151 2
1 880 . 1 1 A 69 69 ASN HA H 67 4.803 4.545 0.258 2
1 885 . 1 1 A 69 69 ASN C C 67 174.039 177.109 -3.071 2
1 886 . 1 1 A 69 69 ASN CA C 67 53.434 55.324 -1.890 2
1 887 . 1 1 A 69 69 ASN CB C 67 39.601 38.554 1.047 2
1 888 . 1 1 A 69 69 ASN N N 67 118.309 117.342 0.967 2
stop_
save_