data_16145_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16145
_Entry.PDB_ID 2KEE
_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 4.447 4.644 -0.197 1
1 25 . 1 1 1 A 4 4 PRO C C 2 176.996 176.914 0.082 1
1 26 . 1 1 1 A 4 4 PRO CA C 2 63.494 62.825 0.669 1
1 27 . 1 1 1 A 4 4 PRO CB C 2 32.161 31.720 0.441 1
1 30 . 1 1 1 A 5 5 VAL H H 3 8.292 8.107 0.185 1
1 31 . 1 1 1 A 5 5 VAL HA H 3 4.074 4.266 -0.192 1
1 39 . 1 1 1 A 5 5 VAL C C 3 176.376 175.944 0.432 1
1 40 . 1 1 1 A 5 5 VAL CA C 3 62.495 61.039 1.456 1
1 41 . 1 1 1 A 5 5 VAL CB C 3 32.808 32.783 0.025 1
1 43 . 1 1 1 A 5 5 VAL N N 3 121.008 118.744 2.264 1
1 44 . 1 1 1 A 6 6 SER H H 4 8.313 8.737 -0.424 1
1 45 . 1 1 1 A 6 6 SER HA H 4 4.419 4.738 -0.319 1
1 48 . 1 1 1 A 6 6 SER C C 4 174.577 174.951 -0.374 1
1 49 . 1 1 1 A 6 6 SER CA C 4 58.148 57.507 0.641 1
1 50 . 1 1 1 A 6 6 SER CB C 4 63.870 65.171 -1.301 1
1 51 . 1 1 1 A 6 6 SER N N 4 119.573 114.759 4.814 1
1 52 . 1 1 1 A 7 7 LEU H H 5 8.326 8.083 0.243 1
1 53 . 1 1 1 A 7 7 LEU HA H 5 4.342 4.252 0.090 1
1 63 . 1 1 1 A 7 7 LEU C C 5 177.341 176.218 1.123 1
1 64 . 1 1 1 A 7 7 LEU CA C 5 55.388 57.234 -1.846 1
1 65 . 1 1 1 A 7 7 LEU CB C 5 42.650 41.696 0.954 1
1 68 . 1 1 1 A 7 7 LEU N N 5 125.039 121.987 3.052 1
1 69 . 1 1 1 A 8 8 SER H H 6 8.157 8.218 -0.061 1
1 70 . 1 1 1 A 8 8 SER HA H 6 4.360 4.711 -0.351 1
1 73 . 1 1 1 A 8 8 SER C C 6 174.189 174.838 -0.649 1
1 74 . 1 1 1 A 8 8 SER CA C 6 58.433 57.617 0.816 1
1 75 . 1 1 1 A 8 8 SER CB C 6 63.870 65.105 -1.235 1
1 76 . 1 1 1 A 8 8 SER N N 6 116.154 114.643 1.511 1
1 77 . 1 1 1 A 9 9 TYR H H 7 8.017 9.289 -1.272 1
1 78 . 1 1 1 A 9 9 TYR HA H 7 4.512 4.087 0.425 1
1 85 . 1 1 1 A 9 9 TYR C C 7 175.520 175.532 -0.012 1
1 86 . 1 1 1 A 9 9 TYR CA C 7 58.008 61.786 -3.778 1
1 87 . 1 1 1 A 9 9 TYR CB C 7 38.956 38.904 0.052 1
1 90 . 1 1 1 A 9 9 TYR N N 7 122.213 124.612 -2.399 1
1 91 . 1 1 1 A 10 10 ARG H H 8 8.152 7.909 0.243 1
1 92 . 1 1 1 A 10 10 ARG HA H 8 4.260 3.820 0.440 1
1 99 . 1 1 1 A 10 10 ARG C C 8 175.918 174.997 0.921 1
1 100 . 1 1 1 A 10 10 ARG CA C 8 56.104 58.504 -2.400 1
1 101 . 1 1 1 A 10 10 ARG CB C 8 30.875 28.409 2.466 1
1 104 . 1 1 1 A 10 10 ARG N N 8 122.182 116.817 5.365 1
1 105 . 1 1 1 A 11 11 CYS H H 9 8.132 7.723 0.409 1
1 106 . 1 1 1 A 11 11 CYS HA H 9 4.935 5.111 -0.176 1
1 109 . 1 1 1 A 11 11 CYS C C 9 173.615 173.424 0.191 1
1 110 . 1 1 1 A 11 11 CYS CA C 9 53.127 53.691 -0.564 1
1 111 . 1 1 1 A 11 11 CYS CB C 9 40.201 44.898 -4.697 1
1 112 . 1 1 1 A 11 11 CYS N N 9 121.280 116.709 4.571 1
1 113 . 1 1 1 A 12 12 PRO HA H 10 4.290 4.512 -0.222 1
1 120 . 1 1 1 A 12 12 PRO C C 10 177.703 176.572 1.131 1
1 121 . 1 1 1 A 12 12 PRO CA C 10 64.835 65.463 -0.628 1
1 122 . 1 1 1 A 12 12 PRO CB C 10 32.484 31.513 0.971 1
1 125 . 1 1 1 A 13 13 CYS H H 11 8.300 8.305 -0.005 1
1 126 . 1 1 1 A 13 13 CYS HA H 11 4.891 4.848 0.043 1
1 129 . 1 1 1 A 13 13 CYS C C 11 174.202 173.333 0.869 1
1 130 . 1 1 1 A 13 13 CYS CA C 11 53.480 56.306 -2.826 1
1 131 . 1 1 1 A 13 13 CYS CB C 11 39.603 43.456 -3.853 1
1 132 . 1 1 1 A 13 13 CYS N N 11 114.161 116.034 -1.873 1
1 133 . 1 1 1 A 14 14 ARG HA H 12 3.963 4.111 -0.148 1
1 140 . 1 1 1 A 14 14 ARG C C 12 175.202 175.793 -0.591 1
1 141 . 1 1 1 A 14 14 ARG CA C 12 57.293 57.248 0.045 1
1 142 . 1 1 1 A 14 14 ARG CB C 12 31.099 30.783 0.316 1
1 145 . 1 1 1 A 15 15 PHE H H 13 7.543 7.862 -0.319 1
1 146 . 1 1 1 A 15 15 PHE HA H 13 4.496 4.751 -0.255 1
1 154 . 1 1 1 A 15 15 PHE C C 13 174.226 175.227 -1.001 1
1 155 . 1 1 1 A 15 15 PHE CA C 13 55.971 56.446 -0.475 1
1 156 . 1 1 1 A 15 15 PHE CB C 13 41.032 41.523 -0.491 1
1 160 . 1 1 1 A 15 15 PHE N N 13 116.175 115.386 0.789 1
1 161 . 1 1 1 A 16 16 PHE H H 14 8.305 8.901 -0.596 1
1 162 . 1 1 1 A 16 16 PHE HA H 14 4.812 5.295 -0.483 1
1 170 . 1 1 1 A 16 16 PHE C C 14 175.247 176.141 -0.894 1
1 171 . 1 1 1 A 16 16 PHE CA C 14 55.559 56.493 -0.934 1
1 172 . 1 1 1 A 16 16 PHE CB C 14 41.220 42.617 -1.397 1
1 176 . 1 1 1 A 16 16 PHE N N 14 119.656 120.360 -0.704 1
1 177 . 1 1 1 A 17 17 GLU H H 15 8.879 9.515 -0.636 1
1 178 . 1 1 1 A 17 17 GLU HA H 15 4.536 4.118 0.418 1
1 183 . 1 1 1 A 17 17 GLU C C 15 176.747 177.113 -0.366 1
1 184 . 1 1 1 A 17 17 GLU CA C 15 56.012 59.843 -3.831 1
1 185 . 1 1 1 A 17 17 GLU CB C 15 30.876 30.213 0.663 1
1 187 . 1 1 1 A 17 17 GLU N N 15 122.563 124.765 -2.202 1
1 188 . 1 1 1 A 18 18 SER H H 16 8.810 8.212 0.598 1
1 189 . 1 1 1 A 18 18 SER HA H 16 4.673 4.470 0.203 1
1 192 . 1 1 1 A 18 18 SER C C 16 174.278 173.530 0.748 1
1 193 . 1 1 1 A 18 18 SER CA C 16 59.799 60.063 -0.264 1
1 194 . 1 1 1 A 18 18 SER CB C 16 63.999 62.940 1.059 1
1 195 . 1 1 1 A 18 18 SER N N 16 119.679 114.647 5.032 1
1 196 . 1 1 1 A 19 19 HIS H H 17 8.712 8.597 0.115 1
1 197 . 1 1 1 A 19 19 HIS HA H 17 4.777 4.710 0.067 1
1 202 . 1 1 1 A 19 19 HIS C C 17 174.580 173.657 0.923 1
1 203 . 1 1 1 A 19 19 HIS CA C 17 56.240 54.481 1.759 1
1 204 . 1 1 1 A 19 19 HIS CB C 17 29.896 28.369 1.527 1
1 207 . 1 1 1 A 19 19 HIS N N 17 120.269 120.589 -0.320 1
1 208 . 1 1 1 A 20 20 VAL H H 18 7.145 7.877 -0.732 1
1 209 . 1 1 1 A 20 20 VAL HA H 18 4.132 4.653 -0.521 1
1 217 . 1 1 1 A 20 20 VAL C C 18 174.138 175.105 -0.967 1
1 218 . 1 1 1 A 20 20 VAL CA C 18 61.605 61.179 0.426 1
1 219 . 1 1 1 A 20 20 VAL CB C 18 34.102 34.799 -0.697 1
1 221 . 1 1 1 A 20 20 VAL N N 18 120.100 123.982 -3.882 1
1 222 . 1 1 1 A 21 21 ALA H H 19 8.554 8.527 0.027 1
1 223 . 1 1 1 A 21 21 ALA HA H 19 4.353 4.328 0.025 1
1 227 . 1 1 1 A 21 21 ALA C C 19 177.514 177.717 -0.203 1
1 228 . 1 1 1 A 21 21 ALA CA C 19 50.666 50.261 0.405 1
1 229 . 1 1 1 A 21 21 ALA CB C 19 19.648 20.834 -1.186 1
1 230 . 1 1 1 A 21 21 ALA N N 19 131.180 130.860 0.320 1
1 231 . 1 1 1 A 22 22 ARG H H 20 7.813 8.051 -0.238 1
1 232 . 1 1 1 A 22 22 ARG HA H 20 2.621 2.953 -0.332 1
1 239 . 1 1 1 A 22 22 ARG C C 20 178.531 177.553 0.978 1
1 240 . 1 1 1 A 22 22 ARG CA C 20 59.155 58.721 0.434 1
1 241 . 1 1 1 A 22 22 ARG CB C 20 29.167 29.219 -0.052 1
1 244 . 1 1 1 A 22 22 ARG N N 20 124.436 120.212 4.224 1
1 245 . 1 1 1 A 23 23 ALA H H 21 8.191 7.462 0.729 1
1 246 . 1 1 1 A 23 23 ALA HA H 21 4.023 4.087 -0.064 1
1 250 . 1 1 1 A 23 23 ALA C C 21 177.743 177.949 -0.206 1
1 251 . 1 1 1 A 23 23 ALA CA C 21 53.809 53.469 0.340 1
1 252 . 1 1 1 A 23 23 ALA CB C 21 18.712 18.307 0.405 1
1 253 . 1 1 1 A 23 23 ALA N N 21 117.354 120.233 -2.879 1
1 254 . 1 1 1 A 24 24 ASN H H 22 7.738 7.811 -0.073 1
1 255 . 1 1 1 A 24 24 ASN HA H 22 4.928 4.773 0.155 1
1 260 . 1 1 1 A 24 24 ASN C C 22 174.889 175.136 -0.247 1
1 261 . 1 1 1 A 24 24 ASN CA C 22 52.590 52.421 0.169 1
1 262 . 1 1 1 A 24 24 ASN CB C 22 40.335 38.793 1.542 1
1 263 . 1 1 1 A 24 24 ASN N N 22 112.797 115.237 -2.440 1
1 265 . 1 1 1 A 25 25 VAL H H 23 7.438 7.291 0.147 1
1 266 . 1 1 1 A 25 25 VAL HA H 23 4.349 4.432 -0.083 1
1 274 . 1 1 1 A 25 25 VAL C C 23 174.594 175.822 -1.228 1
1 275 . 1 1 1 A 25 25 VAL CA C 23 62.406 62.229 0.177 1
1 276 . 1 1 1 A 25 25 VAL CB C 23 33.445 32.414 1.031 1
1 278 . 1 1 1 A 25 25 VAL N N 23 118.653 119.616 -0.963 1
1 279 . 1 1 1 A 26 26 LYS H H 24 9.262 9.918 -0.656 1
1 280 . 1 1 1 A 26 26 LYS HA H 24 4.394 4.315 0.079 1
1 289 . 1 1 1 A 26 26 LYS C C 24 175.247 175.795 -0.548 1
1 290 . 1 1 1 A 26 26 LYS CA C 24 56.483 57.885 -1.402 1
1 291 . 1 1 1 A 26 26 LYS CB C 24 35.022 33.729 1.293 1
1 295 . 1 1 1 A 26 26 LYS N N 24 125.308 129.514 -4.206 1
1 296 . 1 1 1 A 27 27 HIS H H 25 7.749 7.628 0.121 1
1 297 . 1 1 1 A 27 27 HIS HA H 25 4.625 4.930 -0.305 1
1 302 . 1 1 1 A 27 27 HIS C C 25 173.157 172.612 0.545 1
1 303 . 1 1 1 A 27 27 HIS CA C 25 55.916 55.632 0.284 1
1 304 . 1 1 1 A 27 27 HIS CB C 25 32.808 32.914 -0.106 1
1 307 . 1 1 1 A 27 27 HIS N N 25 115.509 116.911 -1.402 1
1 308 . 1 1 1 A 28 28 LEU H H 26 8.117 8.797 -0.680 1
1 309 . 1 1 1 A 28 28 LEU HA H 26 4.990 5.303 -0.313 1
1 319 . 1 1 1 A 28 28 LEU C C 26 175.514 175.028 0.486 1
1 320 . 1 1 1 A 28 28 LEU CA C 26 54.662 53.615 1.047 1
1 321 . 1 1 1 A 28 28 LEU CB C 26 45.594 44.473 1.121 1
1 325 . 1 1 1 A 29 29 LYS H H 27 9.028 9.501 -0.473 1
1 326 . 1 1 1 A 29 29 LYS HA H 27 4.585 5.223 -0.638 1
1 335 . 1 1 1 A 29 29 LYS C C 27 173.758 174.707 -0.949 1
1 336 . 1 1 1 A 29 29 LYS CA C 27 54.945 54.762 0.183 1
1 337 . 1 1 1 A 29 29 LYS CB C 27 36.358 36.341 0.017 1
1 341 . 1 1 1 A 29 29 LYS N N 27 122.904 126.493 -3.589 1
1 342 . 1 1 1 A 30 30 ILE H H 28 8.540 8.931 -0.391 1
1 343 . 1 1 1 A 30 30 ILE HA H 28 4.626 4.807 -0.181 1
1 353 . 1 1 1 A 30 30 ILE C C 28 175.988 174.431 1.557 1
1 354 . 1 1 1 A 30 30 ILE CA C 28 60.122 60.003 0.119 1
1 355 . 1 1 1 A 30 30 ILE CB C 28 38.795 39.444 -0.649 1
1 359 . 1 1 1 A 30 30 ILE N N 28 123.517 127.116 -3.599 1
1 360 . 1 1 1 A 31 31 LEU H H 29 8.961 9.571 -0.610 1
1 361 . 1 1 1 A 31 31 LEU HA H 29 4.564 5.006 -0.442 1
1 371 . 1 1 1 A 31 31 LEU C C 29 176.005 175.666 0.339 1
1 372 . 1 1 1 A 31 31 LEU CA C 29 53.975 53.577 0.398 1
1 373 . 1 1 1 A 31 31 LEU CB C 29 43.485 44.044 -0.559 1
1 376 . 1 1 1 A 31 31 LEU N N 29 128.881 128.859 0.022 1
1 377 . 1 1 1 A 32 32 ASN H H 30 8.763 9.173 -0.410 1
1 378 . 1 1 1 A 32 32 ASN HA H 30 4.991 5.582 -0.591 1
1 383 . 1 1 1 A 32 32 ASN C C 30 174.462 173.516 0.946 1
1 384 . 1 1 1 A 32 32 ASN CA C 30 52.413 51.491 0.922 1
1 385 . 1 1 1 A 32 32 ASN CB C 30 39.238 39.821 -0.583 1
1 386 . 1 1 1 A 32 32 ASN N N 30 124.019 122.800 1.219 1
1 388 . 1 1 1 A 33 33 THR H H 31 8.170 8.426 -0.256 1
1 389 . 1 1 1 A 33 33 THR HA H 31 4.628 4.876 -0.248 1
1 394 . 1 1 1 A 33 33 THR CA C 31 59.475 59.256 0.219 1
1 395 . 1 1 1 A 33 33 THR CB C 31 70.435 69.713 0.722 1
1 397 . 1 1 1 A 33 33 THR N N 31 119.276 118.953 0.323 1
1 398 . 1 1 1 A 34 34 PRO HA H 32 4.223 4.312 -0.089 1
1 405 . 1 1 1 A 34 34 PRO C C 32 176.814 177.935 -1.121 1
1 406 . 1 1 1 A 34 34 PRO CA C 32 64.445 65.159 -0.714 1
1 407 . 1 1 1 A 34 34 PRO CB C 32 32.161 31.942 0.219 1
1 410 . 1 1 1 A 35 35 ASN H H 33 8.574 8.485 0.089 1
1 411 . 1 1 1 A 35 35 ASN HA H 33 4.320 4.642 -0.322 1
1 416 . 1 1 1 A 35 35 ASN C C 33 174.344 175.643 -1.299 1
1 417 . 1 1 1 A 35 35 ASN CA C 33 54.945 53.991 0.954 1
1 418 . 1 1 1 A 35 35 ASN CB C 33 38.122 38.313 -0.191 1
1 419 . 1 1 1 A 35 35 ASN N N 33 113.042 114.135 -1.093 1
1 421 . 1 1 1 A 36 36 CYS H H 34 7.554 7.956 -0.402 1
1 422 . 1 1 1 A 36 36 CYS HA H 34 4.891 4.866 0.025 1
1 425 . 1 1 1 A 36 36 CYS C C 34 173.880 173.619 0.261 1
1 426 . 1 1 1 A 36 36 CYS CA C 34 54.622 57.003 -2.381 1
1 427 . 1 1 1 A 36 36 CYS CB C 34 44.780 44.798 -0.018 1
1 428 . 1 1 1 A 36 36 CYS N N 34 116.301 116.699 -0.398 1
1 429 . 1 1 1 A 37 37 ALA H H 35 8.418 7.107 1.311 1
1 430 . 1 1 1 A 37 37 ALA HA H 35 4.237 4.430 -0.193 1
1 434 . 1 1 1 A 37 37 ALA C C 35 176.677 175.490 1.187 1
1 435 . 1 1 1 A 37 37 ALA CA C 35 52.413 51.515 0.898 1
1 436 . 1 1 1 A 37 37 ALA CB C 35 18.992 20.981 -1.989 1
1 437 . 1 1 1 A 37 37 ALA N N 35 125.001 117.847 7.154 1
1 438 . 1 1 1 A 38 38 LEU H H 36 8.060 8.404 -0.344 1
1 439 . 1 1 1 A 38 38 LEU HA H 36 4.203 4.858 -0.655 1
1 449 . 1 1 1 A 38 38 LEU C C 36 176.194 176.113 0.081 1
1 450 . 1 1 1 A 38 38 LEU CA C 36 56.563 53.835 2.728 1
1 451 . 1 1 1 A 38 38 LEU CB C 36 42.488 43.160 -0.672 1
1 455 . 1 1 1 A 38 38 LEU N N 36 121.548 119.319 2.229 1
1 456 . 1 1 1 A 39 39 GLN H H 37 8.434 8.645 -0.211 1
1 457 . 1 1 1 A 39 39 GLN HA H 37 4.623 5.033 -0.410 1
1 464 . 1 1 1 A 39 39 GLN C C 37 173.581 173.626 -0.045 1
1 465 . 1 1 1 A 39 39 GLN CA C 37 54.109 54.446 -0.337 1
1 466 . 1 1 1 A 39 39 GLN CB C 37 32.286 32.597 -0.311 1
1 468 . 1 1 1 A 39 39 GLN N N 37 123.271 119.128 4.143 1
1 470 . 1 1 1 A 40 40 ILE H H 38 9.408 8.608 0.800 1
1 471 . 1 1 1 A 40 40 ILE HA H 38 4.735 5.148 -0.413 1
1 481 . 1 1 1 A 40 40 ILE C C 38 174.547 174.849 -0.302 1
1 482 . 1 1 1 A 40 40 ILE CA C 38 60.122 59.832 0.290 1
1 483 . 1 1 1 A 40 40 ILE CB C 38 38.899 40.712 -1.813 1
1 487 . 1 1 1 A 40 40 ILE N N 38 124.702 123.808 0.894 1
1 488 . 1 1 1 A 41 41 VAL H H 39 8.826 9.584 -0.758 1
1 489 . 1 1 1 A 41 41 VAL HA H 39 5.041 5.059 -0.018 1
1 497 . 1 1 1 A 41 41 VAL C C 39 174.772 175.112 -0.340 1
1 498 . 1 1 1 A 41 41 VAL CA C 39 60.111 61.245 -1.134 1
1 499 . 1 1 1 A 41 41 VAL CB C 39 34.767 34.001 0.766 1
1 501 . 1 1 1 A 41 41 VAL N N 39 124.047 126.291 -2.244 1
1 502 . 1 1 1 A 42 42 ALA H H 40 9.299 9.379 -0.080 1
1 503 . 1 1 1 A 42 42 ALA HA H 40 5.276 6.094 -0.818 1
1 507 . 1 1 1 A 42 42 ALA C C 40 175.955 174.700 1.255 1
1 508 . 1 1 1 A 42 42 ALA CA C 40 50.093 50.492 -0.399 1
1 509 . 1 1 1 A 42 42 ALA CB C 40 23.800 22.979 0.821 1
1 510 . 1 1 1 A 42 42 ALA N N 40 126.567 128.887 -2.320 1
1 511 . 1 1 1 A 43 43 ARG H H 41 8.398 8.943 -0.545 1
1 512 . 1 1 1 A 43 43 ARG HA H 41 5.131 5.323 -0.192 1
1 519 . 1 1 1 A 43 43 ARG C C 41 176.184 175.694 0.490 1
1 520 . 1 1 1 A 43 43 ARG CA C 41 53.900 54.946 -1.046 1
1 521 . 1 1 1 A 43 43 ARG CB C 41 32.161 32.682 -0.521 1
1 524 . 1 1 1 A 43 43 ARG N N 41 118.991 122.844 -3.853 1
1 525 . 1 1 1 A 44 44 LEU H H 42 8.988 9.327 -0.339 1
1 526 . 1 1 1 A 44 44 LEU HA H 42 4.925 4.888 0.037 1
1 536 . 1 1 1 A 44 44 LEU C C 42 178.369 177.257 1.112 1
1 537 . 1 1 1 A 44 44 LEU CA C 42 54.329 54.986 -0.657 1
1 538 . 1 1 1 A 44 44 LEU CB C 42 41.497 42.205 -0.708 1
1 542 . 1 1 1 A 44 44 LEU N N 42 125.637 127.228 -1.591 1
1 543 . 1 1 1 A 45 45 LYS H H 43 8.470 9.330 -0.860 1
1 544 . 1 1 1 A 45 45 LYS HA H 43 3.823 4.070 -0.247 1
1 553 . 1 1 1 A 45 45 LYS CA C 43 59.340 59.072 0.268 1
1 554 . 1 1 1 A 45 45 LYS CB C 43 33.445 32.503 0.942 1
1 558 . 1 1 1 A 45 45 LYS N N 43 120.489 122.291 -1.802 1
1 559 . 1 1 1 A 46 46 ASN HA H 44 4.421 4.452 -0.031 1
1 564 . 1 1 1 A 46 46 ASN C C 44 175.970 177.104 -1.134 1
1 565 . 1 1 1 A 46 46 ASN CA C 44 55.457 56.094 -0.637 1
1 566 . 1 1 1 A 46 46 ASN CB C 44 37.507 38.912 -1.405 1
1 568 . 1 1 1 A 47 47 ASN H H 45 7.483 8.027 -0.544 1
1 569 . 1 1 1 A 47 47 ASN HA H 45 4.706 4.736 -0.030 1
1 574 . 1 1 1 A 47 47 ASN C C 45 175.461 174.830 0.631 1
1 575 . 1 1 1 A 47 47 ASN CA C 45 52.769 53.066 -0.297 1
1 576 . 1 1 1 A 47 47 ASN CB C 45 39.194 39.165 0.029 1
1 577 . 1 1 1 A 47 47 ASN N N 45 115.277 114.354 0.923 1
1 579 . 1 1 1 A 48 48 ASN H H 46 7.995 7.730 0.265 1
1 580 . 1 1 1 A 48 48 ASN HA H 46 4.661 5.064 -0.403 1
1 585 . 1 1 1 A 48 48 ASN C C 46 174.812 173.639 1.173 1
1 586 . 1 1 1 A 48 48 ASN CA C 46 54.298 54.629 -0.331 1
1 587 . 1 1 1 A 48 48 ASN CB C 46 39.103 36.958 2.145 1
1 588 . 1 1 1 A 48 48 ASN N N 46 116.416 115.327 1.089 1
1 590 . 1 1 1 A 49 49 ARG H H 47 7.940 7.786 0.154 1
1 591 . 1 1 1 A 49 49 ARG HA H 47 4.205 4.742 -0.537 1
1 598 . 1 1 1 A 49 49 ARG C C 47 175.719 175.292 0.427 1
1 599 . 1 1 1 A 49 49 ARG CA C 47 57.084 55.268 1.816 1
1 600 . 1 1 1 A 49 49 ARG CB C 47 31.792 32.346 -0.554 1
1 603 . 1 1 1 A 49 49 ARG N N 47 120.017 116.670 3.347 1
1 604 . 1 1 1 A 50 50 GLN H H 48 8.641 8.607 0.034 1
1 605 . 1 1 1 A 50 50 GLN HA H 48 5.240 5.056 0.184 1
1 612 . 1 1 1 A 50 50 GLN C C 48 175.697 175.919 -0.222 1
1 613 . 1 1 1 A 50 50 GLN CA C 48 55.454 55.835 -0.381 1
1 614 . 1 1 1 A 50 50 GLN CB C 48 30.959 29.655 1.304 1
1 616 . 1 1 1 A 50 50 GLN N N 48 123.029 121.939 1.090 1
1 618 . 1 1 1 A 51 51 VAL H H 49 9.018 9.728 -0.710 1
1 619 . 1 1 1 A 51 51 VAL HA H 49 4.745 4.892 -0.147 1
1 627 . 1 1 1 A 51 51 VAL C C 49 174.561 174.486 0.075 1
1 628 . 1 1 1 A 51 51 VAL CA C 49 59.266 59.457 -0.191 1
1 629 . 1 1 1 A 51 51 VAL CB C 49 35.845 34.610 1.235 1
1 632 . 1 1 1 A 51 51 VAL N N 49 119.358 117.621 1.737 1
1 633 . 1 1 1 A 52 52 CYS H H 50 8.895 8.656 0.239 1
1 634 . 1 1 1 A 52 52 CYS HA H 50 5.636 5.459 0.177 1
1 637 . 1 1 1 A 52 52 CYS C C 50 174.469 173.477 0.992 1
1 638 . 1 1 1 A 52 52 CYS CA C 50 56.377 54.887 1.490 1
1 639 . 1 1 1 A 52 52 CYS CB C 50 44.680 43.581 1.099 1
1 640 . 1 1 1 A 52 52 CYS N N 50 120.834 120.380 0.454 1
1 641 . 1 1 1 A 53 53 ILE H H 51 8.615 9.906 -1.291 1
1 642 . 1 1 1 A 53 53 ILE HA H 51 4.512 4.619 -0.107 1
1 652 . 1 1 1 A 53 53 ILE C C 51 174.137 174.262 -0.125 1
1 653 . 1 1 1 A 53 53 ILE CA C 51 59.397 59.947 -0.550 1
1 654 . 1 1 1 A 53 53 ILE CB C 51 39.603 40.029 -0.426 1
1 658 . 1 1 1 A 53 53 ILE N N 51 122.392 126.513 -4.121 1
1 659 . 1 1 1 A 54 54 ASP H H 52 7.766 8.256 -0.490 1
1 660 . 1 1 1 A 54 54 ASP HA H 52 3.572 3.711 -0.139 1
1 663 . 1 1 1 A 54 54 ASP CA C 52 51.578 51.329 0.249 1
1 664 . 1 1 1 A 54 54 ASP CB C 52 42.381 42.254 0.127 1
1 665 . 1 1 1 A 54 54 ASP N N 52 126.398 125.529 0.869 1
1 666 . 1 1 1 A 55 55 PRO HA H 53 4.011 4.222 -0.211 1
1 673 . 1 1 1 A 55 55 PRO C C 53 176.274 177.489 -1.215 1
1 674 . 1 1 1 A 55 55 PRO CA C 53 63.546 63.983 -0.437 1
1 675 . 1 1 1 A 55 55 PRO CB C 53 32.270 31.599 0.671 1
1 678 . 1 1 1 A 56 56 LYS H H 54 8.053 7.989 0.064 1
1 679 . 1 1 1 A 56 56 LYS HA H 54 3.982 4.171 -0.189 1
1 688 . 1 1 1 A 56 56 LYS C C 54 177.867 176.954 0.913 1
1 689 . 1 1 1 A 56 56 LYS CA C 54 56.189 57.254 -1.065 1
1 690 . 1 1 1 A 56 56 LYS CB C 54 31.649 32.559 -0.910 1
1 694 . 1 1 1 A 56 56 LYS N N 54 115.161 116.765 -1.604 1
1 695 . 1 1 1 A 57 57 LEU H H 55 7.145 7.117 0.028 1
1 696 . 1 1 1 A 57 57 LEU HA H 55 4.027 4.148 -0.121 1
1 706 . 1 1 1 A 57 57 LEU C C 55 179.221 177.462 1.759 1
1 707 . 1 1 1 A 57 57 LEU CA C 55 14.371 55.375 -41.004 1
1 708 . 1 1 1 A 57 57 LEU CB C 55 41.739 41.798 -0.059 1
1 712 . 1 1 1 A 57 57 LEU N N 55 120.921 121.389 -0.468 1
1 713 . 1 1 1 A 58 58 LYS H H 56 8.798 8.851 -0.053 1
1 714 . 1 1 1 A 58 58 LYS HA H 56 3.937 3.912 0.025 1
1 723 . 1 1 1 A 58 58 LYS C C 56 179.161 178.271 0.890 1
1 724 . 1 1 1 A 58 58 LYS CA C 56 60.116 59.539 0.577 1
1 725 . 1 1 1 A 58 58 LYS CB C 56 32.100 32.114 -0.014 1
1 729 . 1 1 1 A 58 58 LYS N N 56 125.449 125.289 0.160 1
1 730 . 1 1 1 A 59 59 TRP H H 57 7.821 8.302 -0.481 1
1 731 . 1 1 1 A 59 59 TRP HA H 57 4.636 4.508 0.128 1
1 740 . 1 1 1 A 59 59 TRP C C 57 178.642 179.104 -0.462 1
1 741 . 1 1 1 A 59 59 TRP CA C 57 58.388 59.714 -1.326 1
1 742 . 1 1 1 A 59 59 TRP CB C 57 27.954 27.970 -0.016 1
1 748 . 1 1 1 A 59 59 TRP N N 57 113.650 119.061 -5.411 1
1 750 . 1 1 1 A 60 60 ILE H H 58 6.340 7.485 -1.145 1
1 751 . 1 1 1 A 60 60 ILE HA H 58 3.620 3.295 0.325 1
1 761 . 1 1 1 A 60 60 ILE C C 58 177.104 177.516 -0.412 1
1 762 . 1 1 1 A 60 60 ILE CA C 58 61.605 64.434 -2.829 1
1 763 . 1 1 1 A 60 60 ILE CB C 58 36.043 36.445 -0.402 1
1 767 . 1 1 1 A 60 60 ILE N N 58 123.265 122.110 1.155 1
1 768 . 1 1 1 A 61 61 GLN H H 59 7.710 8.215 -0.505 1
1 769 . 1 1 1 A 61 61 GLN HA H 59 3.824 3.903 -0.079 1
1 776 . 1 1 1 A 61 61 GLN C C 59 178.933 179.251 -0.318 1
1 777 . 1 1 1 A 61 61 GLN CA C 59 59.663 59.044 0.619 1
1 778 . 1 1 1 A 61 61 GLN CB C 59 27.972 28.362 -0.390 1
1 780 . 1 1 1 A 61 61 GLN N N 59 120.515 118.984 1.531 1
1 782 . 1 1 1 A 62 62 GLU H H 60 8.042 7.968 0.074 1
1 783 . 1 1 1 A 62 62 GLU HA H 60 4.093 4.061 0.032 1
1 788 . 1 1 1 A 62 62 GLU C C 60 178.539 178.991 -0.452 1
1 789 . 1 1 1 A 62 62 GLU CA C 60 59.152 59.318 -0.166 1
1 790 . 1 1 1 A 62 62 GLU CB C 60 29.896 29.575 0.321 1
1 792 . 1 1 1 A 62 62 GLU N N 60 117.976 121.076 -3.100 1
1 793 . 1 1 1 A 63 63 TYR H H 61 7.882 8.435 -0.553 1
1 794 . 1 1 1 A 63 63 TYR HA H 61 4.214 4.181 0.033 1
1 801 . 1 1 1 A 63 63 TYR C C 61 178.157 177.449 0.708 1
1 802 . 1 1 1 A 63 63 TYR CA C 61 61.281 61.626 -0.345 1
1 803 . 1 1 1 A 63 63 TYR CB C 61 38.956 38.577 0.379 1
1 806 . 1 1 1 A 63 63 TYR N N 61 120.743 122.418 -1.675 1
1 807 . 1 1 1 A 64 64 LEU H H 62 8.438 8.865 -0.427 1
1 808 . 1 1 1 A 64 64 LEU HA H 62 3.886 3.586 0.300 1
1 818 . 1 1 1 A 64 64 LEU C C 62 178.678 179.143 -0.465 1
1 819 . 1 1 1 A 64 64 LEU CA C 62 57.619 58.112 -0.493 1
1 820 . 1 1 1 A 64 64 LEU CB C 62 41.868 41.552 0.316 1
1 824 . 1 1 1 A 64 64 LEU N N 62 119.052 120.328 -1.276 1
1 825 . 1 1 1 A 65 65 GLU H H 63 7.884 8.416 -0.532 1
1 826 . 1 1 1 A 65 65 GLU HA H 63 3.998 3.981 0.017 1
1 831 . 1 1 1 A 65 65 GLU C C 63 178.447 178.473 -0.026 1
1 832 . 1 1 1 A 65 65 GLU CA C 63 59.143 58.678 0.465 1
1 833 . 1 1 1 A 65 65 GLU CB C 63 29.708 28.557 1.151 1
1 835 . 1 1 1 A 65 65 GLU N N 63 118.310 117.908 0.402 1
1 836 . 1 1 1 A 66 66 LYS H H 64 7.576 7.805 -0.229 1
1 837 . 1 1 1 A 66 66 LYS HA H 64 4.208 3.970 0.238 1
1 846 . 1 1 1 A 66 66 LYS C C 64 177.941 178.821 -0.880 1
1 847 . 1 1 1 A 66 66 LYS CA C 64 57.543 59.201 -1.658 1
1 848 . 1 1 1 A 66 66 LYS CB C 64 32.620 32.645 -0.025 1
1 852 . 1 1 1 A 66 66 LYS N N 64 117.398 119.017 -1.619 1
1 853 . 1 1 1 A 67 67 ALA H H 65 7.934 8.165 -0.231 1
1 854 . 1 1 1 A 67 67 ALA HA H 65 4.106 3.969 0.137 1
1 858 . 1 1 1 A 67 67 ALA C C 65 178.624 180.383 -1.759 1
1 859 . 1 1 1 A 67 67 ALA CA C 65 53.790 54.634 -0.844 1
1 860 . 1 1 1 A 67 67 ALA CB C 65 19.106 17.988 1.118 1
1 861 . 1 1 1 A 67 67 ALA N N 65 121.561 122.160 -0.599 1
1 862 . 1 1 1 A 68 68 LEU H H 66 7.835 8.311 -0.476 1
1 863 . 1 1 1 A 68 68 LEU HA H 66 4.268 3.967 0.301 1
1 873 . 1 1 1 A 68 68 LEU CA C 66 55.593 57.291 -1.698 1
1 874 . 1 1 1 A 68 68 LEU CB C 66 42.191 41.629 0.562 1
1 877 . 1 1 1 A 68 68 LEU N N 66 117.270 119.844 -2.574 1
1 878 . 1 1 1 A 69 69 ASN H H 67 7.914 7.806 0.108 1
1 879 . 1 1 1 A 69 69 ASN HA H 67 4.731 4.627 0.104 1
1 884 . 1 1 1 A 69 69 ASN C C 67 174.039 176.550 -2.511 1
1 885 . 1 1 1 A 69 69 ASN CA C 67 53.328 55.444 -2.116 1
1 886 . 1 1 1 A 69 69 ASN CB C 67 39.091 39.150 -0.059 1
1 887 . 1 1 1 A 69 69 ASN N N 67 118.309 117.600 0.709 1
1 18 . 2 1 1 A 4 4 PRO HA H 2 4.447 4.775 -0.328 1
1 25 . 2 1 1 A 4 4 PRO C C 2 176.996 176.674 0.322 1
1 26 . 2 1 1 A 4 4 PRO CA C 2 63.494 62.478 1.016 1
1 27 . 2 1 1 A 4 4 PRO CB C 2 32.161 31.655 0.506 1
1 30 . 2 1 1 A 5 5 VAL H H 3 8.292 8.174 0.118 1
1 31 . 2 1 1 A 5 5 VAL HA H 3 4.074 4.492 -0.418 1
1 39 . 2 1 1 A 5 5 VAL C C 3 176.376 175.610 0.766 1
1 40 . 2 1 1 A 5 5 VAL CA C 3 62.495 61.124 1.371 1
1 41 . 2 1 1 A 5 5 VAL CB C 3 32.808 31.998 0.810 1
1 43 . 2 1 1 A 5 5 VAL N N 3 121.008 119.924 1.084 1
1 44 . 2 1 1 A 6 6 SER H H 4 8.313 9.034 -0.721 1
1 45 . 2 1 1 A 6 6 SER HA H 4 4.419 4.369 0.050 1
1 48 . 2 1 1 A 6 6 SER C C 4 174.577 173.988 0.589 1
1 49 . 2 1 1 A 6 6 SER CA C 4 58.148 60.075 -1.927 1
1 50 . 2 1 1 A 6 6 SER CB C 4 63.870 64.422 -0.552 1
1 51 . 2 1 1 A 6 6 SER N N 4 119.573 121.131 -1.558 1
1 52 . 2 1 1 A 7 7 LEU H H 5 8.326 7.674 0.652 1
1 53 . 2 1 1 A 7 7 LEU HA H 5 4.342 4.432 -0.090 1
1 63 . 2 1 1 A 7 7 LEU C C 5 177.341 177.040 0.301 1
1 64 . 2 1 1 A 7 7 LEU CA C 5 55.388 54.863 0.525 1
1 65 . 2 1 1 A 7 7 LEU CB C 5 42.650 42.773 -0.123 1
1 68 . 2 1 1 A 7 7 LEU N N 5 125.039 122.255 2.784 1
1 69 . 2 1 1 A 8 8 SER H H 6 8.157 8.852 -0.695 1
1 70 . 2 1 1 A 8 8 SER HA H 6 4.360 4.139 0.221 1
1 73 . 2 1 1 A 8 8 SER C C 6 174.189 173.641 0.548 1
1 74 . 2 1 1 A 8 8 SER CA C 6 58.433 59.978 -1.545 1
1 75 . 2 1 1 A 8 8 SER CB C 6 63.870 60.973 2.897 1
1 76 . 2 1 1 A 8 8 SER N N 6 116.154 114.636 1.518 1
1 77 . 2 1 1 A 9 9 TYR H H 7 8.017 8.127 -0.110 1
1 78 . 2 1 1 A 9 9 TYR HA H 7 4.512 4.193 0.319 1
1 85 . 2 1 1 A 9 9 TYR C C 7 175.520 175.648 -0.128 1
1 86 . 2 1 1 A 9 9 TYR CA C 7 58.008 61.061 -3.053 1
1 87 . 2 1 1 A 9 9 TYR CB C 7 38.956 38.547 0.409 1
1 90 . 2 1 1 A 9 9 TYR N N 7 122.213 120.516 1.697 1
1 91 . 2 1 1 A 10 10 ARG H H 8 8.152 8.172 -0.020 1
1 92 . 2 1 1 A 10 10 ARG HA H 8 4.260 4.112 0.148 1
1 99 . 2 1 1 A 10 10 ARG C C 8 175.918 175.437 0.481 1
1 100 . 2 1 1 A 10 10 ARG CA C 8 56.104 58.364 -2.260 1
1 101 . 2 1 1 A 10 10 ARG CB C 8 30.875 29.527 1.348 1
1 104 . 2 1 1 A 10 10 ARG N N 8 122.182 118.456 3.726 1
1 105 . 2 1 1 A 11 11 CYS H H 9 8.132 8.027 0.105 1
1 106 . 2 1 1 A 11 11 CYS HA H 9 4.935 4.713 0.222 1
1 109 . 2 1 1 A 11 11 CYS C C 9 173.615 173.915 -0.300 1
1 110 . 2 1 1 A 11 11 CYS CA C 9 53.127 55.411 -2.284 1
1 111 . 2 1 1 A 11 11 CYS CB C 9 40.201 42.793 -2.592 1
1 112 . 2 1 1 A 11 11 CYS N N 9 121.280 117.559 3.721 1
1 113 . 2 1 1 A 12 12 PRO HA H 10 4.290 4.497 -0.207 1
1 120 . 2 1 1 A 12 12 PRO C C 10 177.703 176.102 1.601 1
1 121 . 2 1 1 A 12 12 PRO CA C 10 64.835 64.155 0.680 1
1 122 . 2 1 1 A 12 12 PRO CB C 10 32.484 31.591 0.893 1
1 125 . 2 1 1 A 13 13 CYS H H 11 8.300 7.480 0.820 1
1 126 . 2 1 1 A 13 13 CYS HA H 11 4.891 5.205 -0.314 1
1 129 . 2 1 1 A 13 13 CYS C C 11 174.202 173.154 1.048 1
1 130 . 2 1 1 A 13 13 CYS CA C 11 53.480 55.487 -2.007 1
1 131 . 2 1 1 A 13 13 CYS CB C 11 39.603 45.975 -6.372 1
1 132 . 2 1 1 A 13 13 CYS N N 11 114.161 116.177 -2.016 1
1 133 . 2 1 1 A 14 14 ARG HA H 12 3.963 3.921 0.042 1
1 140 . 2 1 1 A 14 14 ARG C C 12 175.202 175.257 -0.055 1
1 141 . 2 1 1 A 14 14 ARG CA C 12 57.293 56.795 0.498 1
1 142 . 2 1 1 A 14 14 ARG CB C 12 31.099 31.334 -0.235 1
1 145 . 2 1 1 A 15 15 PHE H H 13 7.543 7.783 -0.240 1
1 146 . 2 1 1 A 15 15 PHE HA H 13 4.496 4.694 -0.198 1
1 154 . 2 1 1 A 15 15 PHE C C 13 174.226 175.064 -0.838 1
1 155 . 2 1 1 A 15 15 PHE CA C 13 55.971 56.011 -0.040 1
1 156 . 2 1 1 A 15 15 PHE CB C 13 41.032 40.835 0.197 1
1 160 . 2 1 1 A 15 15 PHE N N 13 116.175 116.608 -0.433 1
1 161 . 2 1 1 A 16 16 PHE H H 14 8.305 8.933 -0.628 1
1 162 . 2 1 1 A 16 16 PHE HA H 14 4.812 4.947 -0.135 1
1 170 . 2 1 1 A 16 16 PHE C C 14 175.247 176.275 -1.028 1
1 171 . 2 1 1 A 16 16 PHE CA C 14 55.559 56.979 -1.420 1
1 172 . 2 1 1 A 16 16 PHE CB C 14 41.220 41.566 -0.346 1
1 176 . 2 1 1 A 16 16 PHE N N 14 119.656 121.358 -1.702 1
1 177 . 2 1 1 A 17 17 GLU H H 15 8.879 9.607 -0.728 1
1 178 . 2 1 1 A 17 17 GLU HA H 15 4.536 4.047 0.489 1
1 183 . 2 1 1 A 17 17 GLU C C 15 176.747 176.708 0.039 1
1 184 . 2 1 1 A 17 17 GLU CA C 15 56.012 59.350 -3.338 1
1 185 . 2 1 1 A 17 17 GLU CB C 15 30.876 30.000 0.876 1
1 187 . 2 1 1 A 17 17 GLU N N 15 122.563 124.449 -1.886 1
1 188 . 2 1 1 A 18 18 SER H H 16 8.810 8.225 0.585 1
1 189 . 2 1 1 A 18 18 SER HA H 16 4.673 4.383 0.290 1
1 192 . 2 1 1 A 18 18 SER C C 16 174.278 174.614 -0.336 1
1 193 . 2 1 1 A 18 18 SER CA C 16 59.799 59.879 -0.080 1
1 194 . 2 1 1 A 18 18 SER CB C 16 63.999 62.827 1.172 1
1 195 . 2 1 1 A 18 18 SER N N 16 119.679 114.729 4.950 1
1 196 . 2 1 1 A 19 19 HIS H H 17 8.712 8.137 0.575 1
1 197 . 2 1 1 A 19 19 HIS HA H 17 4.777 4.838 -0.061 1
1 202 . 2 1 1 A 19 19 HIS C C 17 174.580 174.745 -0.165 1
1 203 . 2 1 1 A 19 19 HIS CA C 17 56.240 55.337 0.903 1
1 204 . 2 1 1 A 19 19 HIS CB C 17 29.896 28.928 0.968 1
1 207 . 2 1 1 A 19 19 HIS N N 17 120.269 117.134 3.135 1
1 208 . 2 1 1 A 20 20 VAL H H 18 7.145 7.748 -0.603 1
1 209 . 2 1 1 A 20 20 VAL HA H 18 4.132 4.182 -0.050 1
1 217 . 2 1 1 A 20 20 VAL C C 18 174.138 175.351 -1.213 1
1 218 . 2 1 1 A 20 20 VAL CA C 18 61.605 61.930 -0.325 1
1 219 . 2 1 1 A 20 20 VAL CB C 18 34.102 33.079 1.023 1
1 221 . 2 1 1 A 20 20 VAL N N 18 120.100 120.530 -0.430 1
1 222 . 2 1 1 A 21 21 ALA H H 19 8.554 8.233 0.321 1
1 223 . 2 1 1 A 21 21 ALA HA H 19 4.353 4.296 0.057 1
1 227 . 2 1 1 A 21 21 ALA C C 19 177.514 177.472 0.042 1
1 228 . 2 1 1 A 21 21 ALA CA C 19 50.666 49.791 0.875 1
1 229 . 2 1 1 A 21 21 ALA CB C 19 19.648 21.946 -2.298 1
1 230 . 2 1 1 A 21 21 ALA N N 19 131.180 129.394 1.786 1
1 231 . 2 1 1 A 22 22 ARG H H 20 7.813 7.955 -0.142 1
1 232 . 2 1 1 A 22 22 ARG HA H 20 2.621 2.680 -0.059 1
1 239 . 2 1 1 A 22 22 ARG C C 20 178.531 177.472 1.059 1
1 240 . 2 1 1 A 22 22 ARG CA C 20 59.155 58.905 0.250 1
1 241 . 2 1 1 A 22 22 ARG CB C 20 29.167 29.338 -0.171 1
1 244 . 2 1 1 A 22 22 ARG N N 20 124.436 119.717 4.719 1
1 245 . 2 1 1 A 23 23 ALA H H 21 8.191 7.493 0.698 1
1 246 . 2 1 1 A 23 23 ALA HA H 21 4.023 4.083 -0.060 1
1 250 . 2 1 1 A 23 23 ALA C C 21 177.743 177.985 -0.242 1
1 251 . 2 1 1 A 23 23 ALA CA C 21 53.809 53.354 0.455 1
1 252 . 2 1 1 A 23 23 ALA CB C 21 18.712 18.285 0.427 1
1 253 . 2 1 1 A 23 23 ALA N N 21 117.354 119.963 -2.609 1
1 254 . 2 1 1 A 24 24 ASN H H 22 7.738 7.614 0.124 1
1 255 . 2 1 1 A 24 24 ASN HA H 22 4.928 4.768 0.160 1
1 260 . 2 1 1 A 24 24 ASN C C 22 174.889 175.004 -0.115 1
1 261 . 2 1 1 A 24 24 ASN CA C 22 52.590 52.409 0.181 1
1 262 . 2 1 1 A 24 24 ASN CB C 22 40.335 38.873 1.462 1
1 263 . 2 1 1 A 24 24 ASN N N 22 112.797 115.246 -2.449 1
1 265 . 2 1 1 A 25 25 VAL H H 23 7.438 7.387 0.051 1
1 266 . 2 1 1 A 25 25 VAL HA H 23 4.349 4.500 -0.151 1
1 274 . 2 1 1 A 25 25 VAL C C 23 174.594 175.900 -1.306 1
1 275 . 2 1 1 A 25 25 VAL CA C 23 62.406 62.020 0.386 1
1 276 . 2 1 1 A 25 25 VAL CB C 23 33.445 33.052 0.393 1
1 278 . 2 1 1 A 25 25 VAL N N 23 118.653 119.514 -0.861 1
1 279 . 2 1 1 A 26 26 LYS H H 24 9.262 9.422 -0.160 1
1 280 . 2 1 1 A 26 26 LYS HA H 24 4.394 4.645 -0.251 1
1 289 . 2 1 1 A 26 26 LYS C C 24 175.247 176.203 -0.956 1
1 290 . 2 1 1 A 26 26 LYS CA C 24 56.483 56.537 -0.054 1
1 291 . 2 1 1 A 26 26 LYS CB C 24 35.022 34.383 0.639 1
1 295 . 2 1 1 A 26 26 LYS N N 24 125.308 120.677 4.631 1
1 296 . 2 1 1 A 27 27 HIS H H 25 7.749 7.125 0.624 1
1 297 . 2 1 1 A 27 27 HIS HA H 25 4.625 4.944 -0.319 1
1 302 . 2 1 1 A 27 27 HIS C C 25 173.157 172.936 0.221 1
1 303 . 2 1 1 A 27 27 HIS CA C 25 55.916 54.981 0.935 1
1 304 . 2 1 1 A 27 27 HIS CB C 25 32.808 33.080 -0.272 1
1 307 . 2 1 1 A 27 27 HIS N N 25 115.509 118.729 -3.220 1
1 308 . 2 1 1 A 28 28 LEU H H 26 8.117 8.870 -0.753 1
1 309 . 2 1 1 A 28 28 LEU HA H 26 4.990 5.070 -0.080 1
1 319 . 2 1 1 A 28 28 LEU C C 26 175.514 174.795 0.719 1
1 320 . 2 1 1 A 28 28 LEU CA C 26 54.662 54.141 0.521 1
1 321 . 2 1 1 A 28 28 LEU CB C 26 45.594 44.121 1.473 1
1 325 . 2 1 1 A 29 29 LYS H H 27 9.028 9.739 -0.711 1
1 326 . 2 1 1 A 29 29 LYS HA H 27 4.585 5.041 -0.456 1
1 335 . 2 1 1 A 29 29 LYS C C 27 173.758 175.189 -1.431 1
1 336 . 2 1 1 A 29 29 LYS CA C 27 54.945 54.671 0.274 1
1 337 . 2 1 1 A 29 29 LYS CB C 27 36.358 35.399 0.959 1
1 341 . 2 1 1 A 29 29 LYS N N 27 122.904 126.995 -4.091 1
1 342 . 2 1 1 A 30 30 ILE H H 28 8.540 9.084 -0.544 1
1 343 . 2 1 1 A 30 30 ILE HA H 28 4.626 4.753 -0.127 1
1 353 . 2 1 1 A 30 30 ILE C C 28 175.988 173.889 2.099 1
1 354 . 2 1 1 A 30 30 ILE CA C 28 60.122 60.077 0.045 1
1 355 . 2 1 1 A 30 30 ILE CB C 28 38.795 38.316 0.479 1
1 359 . 2 1 1 A 30 30 ILE N N 28 123.517 128.646 -5.129 1
1 360 . 2 1 1 A 31 31 LEU H H 29 8.961 9.268 -0.307 1
1 361 . 2 1 1 A 31 31 LEU HA H 29 4.564 5.171 -0.607 1
1 371 . 2 1 1 A 31 31 LEU C C 29 176.005 176.031 -0.026 1
1 372 . 2 1 1 A 31 31 LEU CA C 29 53.975 53.520 0.455 1
1 373 . 2 1 1 A 31 31 LEU CB C 29 43.485 45.255 -1.770 1
1 376 . 2 1 1 A 31 31 LEU N N 29 128.881 130.342 -1.461 1
1 377 . 2 1 1 A 32 32 ASN H H 30 8.763 8.882 -0.119 1
1 378 . 2 1 1 A 32 32 ASN HA H 30 4.991 5.221 -0.230 1
1 383 . 2 1 1 A 32 32 ASN C C 30 174.462 175.013 -0.551 1
1 384 . 2 1 1 A 32 32 ASN CA C 30 52.413 52.508 -0.095 1
1 385 . 2 1 1 A 32 32 ASN CB C 30 39.238 39.723 -0.485 1
1 386 . 2 1 1 A 32 32 ASN N N 30 124.019 124.718 -0.699 1
1 388 . 2 1 1 A 33 33 THR H H 31 8.170 8.148 0.022 1
1 389 . 2 1 1 A 33 33 THR HA H 31 4.628 4.799 -0.171 1
1 394 . 2 1 1 A 33 33 THR CA C 31 59.475 58.986 0.489 1
1 395 . 2 1 1 A 33 33 THR CB C 31 70.435 72.274 -1.839 1
1 397 . 2 1 1 A 33 33 THR N N 31 119.276 115.741 3.535 1
1 398 . 2 1 1 A 34 34 PRO HA H 32 4.223 4.314 -0.091 1
1 405 . 2 1 1 A 34 34 PRO C C 32 176.814 177.430 -0.616 1
1 406 . 2 1 1 A 34 34 PRO CA C 32 64.445 65.767 -1.322 1
1 407 . 2 1 1 A 34 34 PRO CB C 32 32.161 31.723 0.438 1
1 410 . 2 1 1 A 35 35 ASN H H 33 8.574 8.548 0.026 1
1 411 . 2 1 1 A 35 35 ASN HA H 33 4.320 4.765 -0.445 1
1 416 . 2 1 1 A 35 35 ASN C C 33 174.344 175.813 -1.469 1
1 417 . 2 1 1 A 35 35 ASN CA C 33 54.945 52.427 2.518 1
1 418 . 2 1 1 A 35 35 ASN CB C 33 38.122 38.284 -0.162 1
1 419 . 2 1 1 A 35 35 ASN N N 33 113.042 112.458 0.584 1
1 421 . 2 1 1 A 36 36 CYS H H 34 7.554 7.263 0.291 1
1 422 . 2 1 1 A 36 36 CYS HA H 34 4.891 4.800 0.091 1
1 425 . 2 1 1 A 36 36 CYS C C 34 173.880 173.773 0.107 1
1 426 . 2 1 1 A 36 36 CYS CA C 34 54.622 55.785 -1.163 1
1 427 . 2 1 1 A 36 36 CYS CB C 34 44.780 43.166 1.614 1
1 428 . 2 1 1 A 36 36 CYS N N 34 116.301 117.642 -1.341 1
1 429 . 2 1 1 A 37 37 ALA H H 35 8.418 7.927 0.491 1
1 430 . 2 1 1 A 37 37 ALA HA H 35 4.237 3.995 0.242 1
1 434 . 2 1 1 A 37 37 ALA C C 35 176.677 176.556 0.121 1
1 435 . 2 1 1 A 37 37 ALA CA C 35 52.413 54.317 -1.904 1
1 436 . 2 1 1 A 37 37 ALA CB C 35 18.992 17.848 1.144 1
1 437 . 2 1 1 A 37 37 ALA N N 35 125.001 121.555 3.446 1
1 438 . 2 1 1 A 38 38 LEU H H 36 8.060 8.421 -0.361 1
1 439 . 2 1 1 A 38 38 LEU HA H 36 4.203 4.896 -0.693 1
1 449 . 2 1 1 A 38 38 LEU C C 36 176.194 174.778 1.416 1
1 450 . 2 1 1 A 38 38 LEU CA C 36 56.563 54.048 2.515 1
1 451 . 2 1 1 A 38 38 LEU CB C 36 42.488 43.856 -1.368 1
1 455 . 2 1 1 A 38 38 LEU N N 36 121.548 120.216 1.332 1
1 456 . 2 1 1 A 39 39 GLN H H 37 8.434 8.853 -0.419 1
1 457 . 2 1 1 A 39 39 GLN HA H 37 4.623 4.763 -0.140 1
1 464 . 2 1 1 A 39 39 GLN C C 37 173.581 174.724 -1.143 1
1 465 . 2 1 1 A 39 39 GLN CA C 37 54.109 54.800 -0.691 1
1 466 . 2 1 1 A 39 39 GLN CB C 37 32.286 29.323 2.963 1
1 468 . 2 1 1 A 39 39 GLN N N 37 123.271 125.317 -2.046 1
1 470 . 2 1 1 A 40 40 ILE H H 38 9.408 8.836 0.572 1
1 471 . 2 1 1 A 40 40 ILE HA H 38 4.735 4.971 -0.236 1
1 481 . 2 1 1 A 40 40 ILE C C 38 174.547 175.420 -0.873 1
1 482 . 2 1 1 A 40 40 ILE CA C 38 60.122 59.937 0.185 1
1 483 . 2 1 1 A 40 40 ILE CB C 38 38.899 38.486 0.413 1
1 487 . 2 1 1 A 40 40 ILE N N 38 124.702 125.953 -1.251 1
1 488 . 2 1 1 A 41 41 VAL H H 39 8.826 9.731 -0.905 1
1 489 . 2 1 1 A 41 41 VAL HA H 39 5.041 4.780 0.261 1
1 497 . 2 1 1 A 41 41 VAL C C 39 174.772 175.349 -0.577 1
1 498 . 2 1 1 A 41 41 VAL CA C 39 60.111 61.490 -1.379 1
1 499 . 2 1 1 A 41 41 VAL CB C 39 34.767 33.600 1.167 1
1 501 . 2 1 1 A 41 41 VAL N N 39 124.047 128.769 -4.722 1
1 502 . 2 1 1 A 42 42 ALA H H 40 9.299 9.274 0.025 1
1 503 . 2 1 1 A 42 42 ALA HA H 40 5.276 6.157 -0.881 1
1 507 . 2 1 1 A 42 42 ALA C C 40 175.955 175.023 0.932 1
1 508 . 2 1 1 A 42 42 ALA CA C 40 50.093 50.301 -0.208 1
1 509 . 2 1 1 A 42 42 ALA CB C 40 23.800 23.519 0.281 1
1 510 . 2 1 1 A 42 42 ALA N N 40 126.567 129.275 -2.708 1
1 511 . 2 1 1 A 43 43 ARG H H 41 8.398 8.829 -0.431 1
1 512 . 2 1 1 A 43 43 ARG HA H 41 5.131 5.272 -0.141 1
1 519 . 2 1 1 A 43 43 ARG C C 41 176.184 175.312 0.872 1
1 520 . 2 1 1 A 43 43 ARG CA C 41 53.900 54.525 -0.625 1
1 521 . 2 1 1 A 43 43 ARG CB C 41 32.161 33.640 -1.479 1
1 524 . 2 1 1 A 43 43 ARG N N 41 118.991 121.928 -2.937 1
1 525 . 2 1 1 A 44 44 LEU H H 42 8.988 9.363 -0.375 1
1 526 . 2 1 1 A 44 44 LEU HA H 42 4.925 5.226 -0.301 1
1 536 . 2 1 1 A 44 44 LEU C C 42 178.369 176.931 1.438 1
1 537 . 2 1 1 A 44 44 LEU CA C 42 54.329 54.483 -0.154 1
1 538 . 2 1 1 A 44 44 LEU CB C 42 41.497 42.437 -0.940 1
1 542 . 2 1 1 A 44 44 LEU N N 42 125.637 127.535 -1.898 1
1 543 . 2 1 1 A 45 45 LYS H H 43 8.470 9.414 -0.944 1
1 544 . 2 1 1 A 45 45 LYS HA H 43 3.823 4.200 -0.377 1
1 553 . 2 1 1 A 45 45 LYS CA C 43 59.340 58.432 0.908 1
1 554 . 2 1 1 A 45 45 LYS CB C 43 33.445 32.961 0.484 1
1 558 . 2 1 1 A 45 45 LYS N N 43 120.489 122.345 -1.856 1
1 559 . 2 1 1 A 46 46 ASN HA H 44 4.421 4.454 -0.033 1
1 564 . 2 1 1 A 46 46 ASN C C 44 175.970 176.908 -0.938 1
1 565 . 2 1 1 A 46 46 ASN CA C 44 55.457 55.836 -0.379 1
1 566 . 2 1 1 A 46 46 ASN CB C 44 37.507 38.434 -0.927 1
1 568 . 2 1 1 A 47 47 ASN H H 45 7.483 8.009 -0.526 1
1 569 . 2 1 1 A 47 47 ASN HA H 45 4.706 4.743 -0.037 1
1 574 . 2 1 1 A 47 47 ASN C C 45 175.461 174.938 0.523 1
1 575 . 2 1 1 A 47 47 ASN CA C 45 52.769 53.070 -0.301 1
1 576 . 2 1 1 A 47 47 ASN CB C 45 39.194 39.349 -0.155 1
1 577 . 2 1 1 A 47 47 ASN N N 45 115.277 114.562 0.715 1
1 579 . 2 1 1 A 48 48 ASN H H 46 7.995 7.947 0.048 1
1 580 . 2 1 1 A 48 48 ASN HA H 46 4.661 4.889 -0.228 1
1 585 . 2 1 1 A 48 48 ASN C C 46 174.812 173.856 0.956 1
1 586 . 2 1 1 A 48 48 ASN CA C 46 54.298 54.664 -0.366 1
1 587 . 2 1 1 A 48 48 ASN CB C 46 39.103 37.059 2.044 1
1 588 . 2 1 1 A 48 48 ASN N N 46 116.416 114.774 1.642 1
1 590 . 2 1 1 A 49 49 ARG H H 47 7.940 7.848 0.092 1
1 591 . 2 1 1 A 49 49 ARG HA H 47 4.205 4.591 -0.386 1
1 598 . 2 1 1 A 49 49 ARG C C 47 175.719 174.911 0.808 1
1 599 . 2 1 1 A 49 49 ARG CA C 47 57.084 55.688 1.396 1
1 600 . 2 1 1 A 49 49 ARG CB C 47 31.792 31.634 0.158 1
1 603 . 2 1 1 A 49 49 ARG N N 47 120.017 117.046 2.971 1
1 604 . 2 1 1 A 50 50 GLN H H 48 8.641 8.686 -0.045 1
1 605 . 2 1 1 A 50 50 GLN HA H 48 5.240 4.901 0.339 1
1 612 . 2 1 1 A 50 50 GLN C C 48 175.697 175.848 -0.151 1
1 613 . 2 1 1 A 50 50 GLN CA C 48 55.454 55.321 0.133 1
1 614 . 2 1 1 A 50 50 GLN CB C 48 30.959 30.270 0.689 1
1 616 . 2 1 1 A 50 50 GLN N N 48 123.029 123.125 -0.096 1
1 618 . 2 1 1 A 51 51 VAL H H 49 9.018 9.602 -0.584 1
1 619 . 2 1 1 A 51 51 VAL HA H 49 4.745 5.060 -0.315 1
1 627 . 2 1 1 A 51 51 VAL C C 49 174.561 174.358 0.203 1
1 628 . 2 1 1 A 51 51 VAL CA C 49 59.266 58.967 0.299 1
1 629 . 2 1 1 A 51 51 VAL CB C 49 35.845 35.471 0.374 1
1 632 . 2 1 1 A 51 51 VAL N N 49 119.358 119.246 0.112 1
1 633 . 2 1 1 A 52 52 CYS H H 50 8.895 8.936 -0.041 1
1 634 . 2 1 1 A 52 52 CYS HA H 50 5.636 5.419 0.217 1
1 637 . 2 1 1 A 52 52 CYS C C 50 174.469 172.804 1.665 1
1 638 . 2 1 1 A 52 52 CYS CA C 50 56.377 54.624 1.753 1
1 639 . 2 1 1 A 52 52 CYS CB C 50 44.680 44.341 0.339 1
1 640 . 2 1 1 A 52 52 CYS N N 50 120.834 119.273 1.561 1
1 641 . 2 1 1 A 53 53 ILE H H 51 8.615 9.528 -0.913 1
1 642 . 2 1 1 A 53 53 ILE HA H 51 4.512 4.449 0.063 1
1 652 . 2 1 1 A 53 53 ILE C C 51 174.137 174.439 -0.302 1
1 653 . 2 1 1 A 53 53 ILE CA C 51 59.397 60.051 -0.654 1
1 654 . 2 1 1 A 53 53 ILE CB C 51 39.603 40.011 -0.408 1
1 658 . 2 1 1 A 53 53 ILE N N 51 122.392 124.614 -2.222 1
1 659 . 2 1 1 A 54 54 ASP H H 52 7.766 8.217 -0.451 1
1 660 . 2 1 1 A 54 54 ASP HA H 52 3.572 3.850 -0.278 1
1 663 . 2 1 1 A 54 54 ASP CA C 52 51.578 51.450 0.128 1
1 664 . 2 1 1 A 54 54 ASP CB C 52 42.381 42.226 0.155 1
1 665 . 2 1 1 A 54 54 ASP N N 52 126.398 126.681 -0.283 1
1 666 . 2 1 1 A 55 55 PRO HA H 53 4.011 4.180 -0.169 1
1 673 . 2 1 1 A 55 55 PRO C C 53 176.274 177.742 -1.468 1
1 674 . 2 1 1 A 55 55 PRO CA C 53 63.546 64.162 -0.616 1
1 675 . 2 1 1 A 55 55 PRO CB C 53 32.270 31.735 0.535 1
1 678 . 2 1 1 A 56 56 LYS H H 54 8.053 8.067 -0.014 1
1 679 . 2 1 1 A 56 56 LYS HA H 54 3.982 4.067 -0.085 1
1 688 . 2 1 1 A 56 56 LYS C C 54 177.867 177.227 0.640 1
1 689 . 2 1 1 A 56 56 LYS CA C 54 56.189 58.804 -2.615 1
1 690 . 2 1 1 A 56 56 LYS CB C 54 31.649 31.975 -0.326 1
1 694 . 2 1 1 A 56 56 LYS N N 54 115.161 117.155 -1.994 1
1 695 . 2 1 1 A 57 57 LEU H H 55 7.145 7.178 -0.033 1
1 696 . 2 1 1 A 57 57 LEU HA H 55 4.027 4.132 -0.105 1
1 706 . 2 1 1 A 57 57 LEU C C 55 179.221 177.738 1.483 1
1 707 . 2 1 1 A 57 57 LEU CA C 55 14.371 55.445 -41.074 1
1 708 . 2 1 1 A 57 57 LEU CB C 55 41.739 41.811 -0.072 1
1 712 . 2 1 1 A 57 57 LEU N N 55 120.921 121.600 -0.679 1
1 713 . 2 1 1 A 58 58 LYS H H 56 8.798 8.681 0.117 1
1 714 . 2 1 1 A 58 58 LYS HA H 56 3.937 3.875 0.062 1
1 723 . 2 1 1 A 58 58 LYS C C 56 179.161 178.633 0.528 1
1 724 . 2 1 1 A 58 58 LYS CA C 56 60.116 59.858 0.258 1
1 725 . 2 1 1 A 58 58 LYS CB C 56 32.100 32.263 -0.163 1
1 729 . 2 1 1 A 58 58 LYS N N 56 125.449 121.820 3.629 1
1 730 . 2 1 1 A 59 59 TRP H H 57 7.821 8.341 -0.520 1
1 731 . 2 1 1 A 59 59 TRP HA H 57 4.636 4.542 0.094 1
1 740 . 2 1 1 A 59 59 TRP C C 57 178.642 179.311 -0.669 1
1 741 . 2 1 1 A 59 59 TRP CA C 57 58.388 59.675 -1.287 1
1 742 . 2 1 1 A 59 59 TRP CB C 57 27.954 28.007 -0.053 1
1 748 . 2 1 1 A 59 59 TRP N N 57 113.650 118.620 -4.970 1
1 750 . 2 1 1 A 60 60 ILE H H 58 6.340 7.467 -1.127 1
1 751 . 2 1 1 A 60 60 ILE HA H 58 3.620 3.307 0.313 1
1 761 . 2 1 1 A 60 60 ILE C C 58 177.104 177.461 -0.357 1
1 762 . 2 1 1 A 60 60 ILE CA C 58 61.605 64.552 -2.947 1
1 763 . 2 1 1 A 60 60 ILE CB C 58 36.043 36.841 -0.798 1
1 767 . 2 1 1 A 60 60 ILE N N 58 123.265 122.181 1.084 1
1 768 . 2 1 1 A 61 61 GLN H H 59 7.710 8.101 -0.391 1
1 769 . 2 1 1 A 61 61 GLN HA H 59 3.824 3.864 -0.040 1
1 776 . 2 1 1 A 61 61 GLN C C 59 178.933 178.970 -0.037 1
1 777 . 2 1 1 A 61 61 GLN CA C 59 59.663 59.002 0.661 1
1 778 . 2 1 1 A 61 61 GLN CB C 59 27.972 28.375 -0.403 1
1 780 . 2 1 1 A 61 61 GLN N N 59 120.515 118.695 1.820 1
1 782 . 2 1 1 A 62 62 GLU H H 60 8.042 7.772 0.270 1
1 783 . 2 1 1 A 62 62 GLU HA H 60 4.093 4.078 0.015 1
1 788 . 2 1 1 A 62 62 GLU C C 60 178.539 178.828 -0.289 1
1 789 . 2 1 1 A 62 62 GLU CA C 60 59.152 59.306 -0.154 1
1 790 . 2 1 1 A 62 62 GLU CB C 60 29.896 29.647 0.249 1
1 792 . 2 1 1 A 62 62 GLU N N 60 117.976 121.349 -3.373 1
1 793 . 2 1 1 A 63 63 TYR H H 61 7.882 8.216 -0.334 1
1 794 . 2 1 1 A 63 63 TYR HA H 61 4.214 4.239 -0.025 1
1 801 . 2 1 1 A 63 63 TYR C C 61 178.157 177.618 0.539 1
1 802 . 2 1 1 A 63 63 TYR CA C 61 61.281 61.372 -0.091 1
1 803 . 2 1 1 A 63 63 TYR CB C 61 38.956 38.788 0.168 1
1 806 . 2 1 1 A 63 63 TYR N N 61 120.743 122.624 -1.881 1
1 807 . 2 1 1 A 64 64 LEU H H 62 8.438 8.912 -0.474 1
1 808 . 2 1 1 A 64 64 LEU HA H 62 3.886 3.613 0.273 1
1 818 . 2 1 1 A 64 64 LEU C C 62 178.678 179.274 -0.596 1
1 819 . 2 1 1 A 64 64 LEU CA C 62 57.619 57.963 -0.344 1
1 820 . 2 1 1 A 64 64 LEU CB C 62 41.868 41.197 0.671 1
1 824 . 2 1 1 A 64 64 LEU N N 62 119.052 120.046 -0.994 1
1 825 . 2 1 1 A 65 65 GLU H H 63 7.884 7.841 0.043 1
1 826 . 2 1 1 A 65 65 GLU HA H 63 3.998 3.914 0.084 1
1 831 . 2 1 1 A 65 65 GLU C C 63 178.447 179.224 -0.777 1
1 832 . 2 1 1 A 65 65 GLU CA C 63 59.143 59.655 -0.512 1
1 833 . 2 1 1 A 65 65 GLU CB C 63 29.708 29.337 0.371 1
1 835 . 2 1 1 A 65 65 GLU N N 63 118.310 117.705 0.605 1
1 836 . 2 1 1 A 66 66 LYS H H 64 7.576 7.995 -0.419 1
1 837 . 2 1 1 A 66 66 LYS HA H 64 4.208 4.090 0.118 1
1 846 . 2 1 1 A 66 66 LYS C C 64 177.941 177.254 0.687 1
1 847 . 2 1 1 A 66 66 LYS CA C 64 57.543 58.889 -1.346 1
1 848 . 2 1 1 A 66 66 LYS CB C 64 32.620 32.230 0.390 1
1 852 . 2 1 1 A 66 66 LYS N N 64 117.398 118.388 -0.990 1
1 853 . 2 1 1 A 67 67 ALA H H 65 7.934 7.831 0.103 1
1 854 . 2 1 1 A 67 67 ALA HA H 65 4.106 4.264 -0.158 1
1 858 . 2 1 1 A 67 67 ALA C C 65 178.624 178.677 -0.053 1
1 859 . 2 1 1 A 67 67 ALA CA C 65 53.790 53.271 0.519 1
1 860 . 2 1 1 A 67 67 ALA CB C 65 19.106 19.035 0.071 1
1 861 . 2 1 1 A 67 67 ALA N N 65 121.561 122.163 -0.602 1
1 862 . 2 1 1 A 68 68 LEU H H 66 7.835 8.019 -0.184 1
1 863 . 2 1 1 A 68 68 LEU HA H 66 4.268 4.200 0.068 1
1 873 . 2 1 1 A 68 68 LEU CA C 66 55.593 55.296 0.297 1
1 874 . 2 1 1 A 68 68 LEU CB C 66 42.191 42.315 -0.124 1
1 877 . 2 1 1 A 68 68 LEU N N 66 117.270 118.392 -1.122 1
1 878 . 2 1 1 A 69 69 ASN H H 67 7.914 7.901 0.013 1
1 879 . 2 1 1 A 69 69 ASN HA H 67 4.731 4.579 0.152 1
1 884 . 2 1 1 A 69 69 ASN C C 67 174.039 176.969 -2.930 1
1 885 . 2 1 1 A 69 69 ASN CA C 67 53.328 55.752 -2.424 1
1 886 . 2 1 1 A 69 69 ASN CB C 67 39.091 39.078 0.013 1
1 887 . 2 1 1 A 69 69 ASN N N 67 118.309 117.845 0.464 1
1 18 . 3 1 1 A 4 4 PRO HA H 2 4.447 4.810 -0.363 1
1 25 . 3 1 1 A 4 4 PRO C C 2 176.996 175.636 1.360 1
1 26 . 3 1 1 A 4 4 PRO CA C 2 63.494 62.471 1.023 1
1 27 . 3 1 1 A 4 4 PRO CB C 2 32.161 30.640 1.521 1
1 30 . 3 1 1 A 5 5 VAL H H 3 8.292 8.558 -0.266 1
1 31 . 3 1 1 A 5 5 VAL HA H 3 4.074 4.478 -0.404 1
1 39 . 3 1 1 A 5 5 VAL C C 3 176.376 175.849 0.527 1
1 40 . 3 1 1 A 5 5 VAL CA C 3 62.495 61.188 1.307 1
1 41 . 3 1 1 A 5 5 VAL CB C 3 32.808 33.338 -0.530 1
1 43 . 3 1 1 A 5 5 VAL N N 3 121.008 124.574 -3.566 1
1 44 . 3 1 1 A 6 6 SER H H 4 8.313 8.490 -0.177 1
1 45 . 3 1 1 A 6 6 SER HA H 4 4.419 4.022 0.397 1
1 48 . 3 1 1 A 6 6 SER C C 4 174.577 173.868 0.709 1
1 49 . 3 1 1 A 6 6 SER CA C 4 58.148 58.565 -0.417 1
1 50 . 3 1 1 A 6 6 SER CB C 4 63.870 61.825 2.045 1
1 51 . 3 1 1 A 6 6 SER N N 4 119.573 117.801 1.772 1
1 52 . 3 1 1 A 7 7 LEU H H 5 8.326 7.897 0.429 1
1 53 . 3 1 1 A 7 7 LEU HA H 5 4.342 4.441 -0.099 1
1 63 . 3 1 1 A 7 7 LEU C C 5 177.341 176.602 0.739 1
1 64 . 3 1 1 A 7 7 LEU CA C 5 55.388 54.353 1.035 1
1 65 . 3 1 1 A 7 7 LEU CB C 5 42.650 42.628 0.022 1
1 68 . 3 1 1 A 7 7 LEU N N 5 125.039 122.456 2.583 1
1 69 . 3 1 1 A 8 8 SER H H 6 8.157 8.619 -0.462 1
1 70 . 3 1 1 A 8 8 SER HA H 6 4.360 4.342 0.018 1
1 73 . 3 1 1 A 8 8 SER C C 6 174.189 173.220 0.969 1
1 74 . 3 1 1 A 8 8 SER CA C 6 58.433 60.813 -2.380 1
1 75 . 3 1 1 A 8 8 SER CB C 6 63.870 61.934 1.936 1
1 76 . 3 1 1 A 8 8 SER N N 6 116.154 113.370 2.784 1
1 77 . 3 1 1 A 9 9 TYR H H 7 8.017 8.532 -0.515 1
1 78 . 3 1 1 A 9 9 TYR HA H 7 4.512 4.689 -0.177 1
1 85 . 3 1 1 A 9 9 TYR C C 7 175.520 174.556 0.964 1
1 86 . 3 1 1 A 9 9 TYR CA C 7 58.008 57.144 0.864 1
1 87 . 3 1 1 A 9 9 TYR CB C 7 38.956 38.710 0.246 1
1 90 . 3 1 1 A 9 9 TYR N N 7 122.213 122.542 -0.329 1
1 91 . 3 1 1 A 10 10 ARG H H 8 8.152 8.086 0.066 1
1 92 . 3 1 1 A 10 10 ARG HA H 8 4.260 4.561 -0.301 1
1 99 . 3 1 1 A 10 10 ARG C C 8 175.918 175.289 0.629 1
1 100 . 3 1 1 A 10 10 ARG CA C 8 56.104 55.318 0.786 1
1 101 . 3 1 1 A 10 10 ARG CB C 8 30.875 30.412 0.463 1
1 104 . 3 1 1 A 10 10 ARG N N 8 122.182 126.782 -4.600 1
1 105 . 3 1 1 A 11 11 CYS H H 9 8.132 8.714 -0.582 1
1 106 . 3 1 1 A 11 11 CYS HA H 9 4.935 4.684 0.251 1
1 109 . 3 1 1 A 11 11 CYS C C 9 173.615 174.339 -0.724 1
1 110 . 3 1 1 A 11 11 CYS CA C 9 53.127 55.934 -2.807 1
1 111 . 3 1 1 A 11 11 CYS CB C 9 40.201 41.697 -1.496 1
1 112 . 3 1 1 A 11 11 CYS N N 9 121.280 123.096 -1.816 1
1 113 . 3 1 1 A 12 12 PRO HA H 10 4.290 4.115 0.175 1
1 120 . 3 1 1 A 12 12 PRO C C 10 177.703 177.032 0.671 1
1 121 . 3 1 1 A 12 12 PRO CA C 10 64.835 65.774 -0.939 1
1 122 . 3 1 1 A 12 12 PRO CB C 10 32.484 31.164 1.320 1
1 125 . 3 1 1 A 13 13 CYS H H 11 8.300 8.156 0.144 1
1 126 . 3 1 1 A 13 13 CYS HA H 11 4.891 4.851 0.040 1
1 129 . 3 1 1 A 13 13 CYS C C 11 174.202 173.227 0.975 1
1 130 . 3 1 1 A 13 13 CYS CA C 11 53.480 54.920 -1.440 1
1 131 . 3 1 1 A 13 13 CYS CB C 11 39.603 43.576 -3.973 1
1 132 . 3 1 1 A 13 13 CYS N N 11 114.161 115.014 -0.853 1
1 133 . 3 1 1 A 14 14 ARG HA H 12 3.963 4.067 -0.104 1
1 140 . 3 1 1 A 14 14 ARG C C 12 175.202 175.974 -0.772 1
1 141 . 3 1 1 A 14 14 ARG CA C 12 57.293 56.990 0.303 1
1 142 . 3 1 1 A 14 14 ARG CB C 12 31.099 30.561 0.538 1
1 145 . 3 1 1 A 15 15 PHE H H 13 7.543 7.493 0.050 1
1 146 . 3 1 1 A 15 15 PHE HA H 13 4.496 5.163 -0.667 1
1 154 . 3 1 1 A 15 15 PHE C C 13 174.226 174.460 -0.234 1
1 155 . 3 1 1 A 15 15 PHE CA C 13 55.971 56.206 -0.235 1
1 156 . 3 1 1 A 15 15 PHE CB C 13 41.032 42.495 -1.463 1
1 160 . 3 1 1 A 15 15 PHE N N 13 116.175 114.762 1.413 1
1 161 . 3 1 1 A 16 16 PHE H H 14 8.305 9.114 -0.809 1
1 162 . 3 1 1 A 16 16 PHE HA H 14 4.812 4.974 -0.162 1
1 170 . 3 1 1 A 16 16 PHE C C 14 175.247 176.220 -0.973 1
1 171 . 3 1 1 A 16 16 PHE CA C 14 55.559 56.408 -0.849 1
1 172 . 3 1 1 A 16 16 PHE CB C 14 41.220 42.790 -1.570 1
1 176 . 3 1 1 A 16 16 PHE N N 14 119.656 120.352 -0.696 1
1 177 . 3 1 1 A 17 17 GLU H H 15 8.879 9.201 -0.322 1
1 178 . 3 1 1 A 17 17 GLU HA H 15 4.536 4.148 0.388 1
1 183 . 3 1 1 A 17 17 GLU C C 15 176.747 177.183 -0.436 1
1 184 . 3 1 1 A 17 17 GLU CA C 15 56.012 59.830 -3.818 1
1 185 . 3 1 1 A 17 17 GLU CB C 15 30.876 30.074 0.802 1
1 187 . 3 1 1 A 17 17 GLU N N 15 122.563 124.427 -1.864 1
1 188 . 3 1 1 A 18 18 SER H H 16 8.810 7.928 0.882 1
1 189 . 3 1 1 A 18 18 SER HA H 16 4.673 5.046 -0.373 1
1 192 . 3 1 1 A 18 18 SER C C 16 174.278 173.910 0.368 1
1 193 . 3 1 1 A 18 18 SER CA C 16 59.799 59.538 0.261 1
1 194 . 3 1 1 A 18 18 SER CB C 16 63.999 61.026 2.973 1
1 195 . 3 1 1 A 18 18 SER N N 16 119.679 115.082 4.597 1
1 196 . 3 1 1 A 19 19 HIS H H 17 8.712 7.879 0.833 1
1 197 . 3 1 1 A 19 19 HIS HA H 17 4.777 4.839 -0.062 1
1 202 . 3 1 1 A 19 19 HIS C C 17 174.580 174.300 0.280 1
1 203 . 3 1 1 A 19 19 HIS CA C 17 56.240 54.988 1.252 1
1 204 . 3 1 1 A 19 19 HIS CB C 17 29.896 31.052 -1.156 1
1 207 . 3 1 1 A 19 19 HIS N N 17 120.269 119.819 0.450 1
1 208 . 3 1 1 A 20 20 VAL H H 18 7.145 7.590 -0.445 1
1 209 . 3 1 1 A 20 20 VAL HA H 18 4.132 4.178 -0.046 1
1 217 . 3 1 1 A 20 20 VAL C C 18 174.138 175.032 -0.894 1
1 218 . 3 1 1 A 20 20 VAL CA C 18 61.605 61.714 -0.109 1
1 219 . 3 1 1 A 20 20 VAL CB C 18 34.102 33.003 1.099 1
1 221 . 3 1 1 A 20 20 VAL N N 18 120.100 120.527 -0.427 1
1 222 . 3 1 1 A 21 21 ALA H H 19 8.554 8.618 -0.064 1
1 223 . 3 1 1 A 21 21 ALA HA H 19 4.353 4.364 -0.011 1
1 227 . 3 1 1 A 21 21 ALA C C 19 177.514 177.754 -0.240 1
1 228 . 3 1 1 A 21 21 ALA CA C 19 50.666 50.675 -0.009 1
1 229 . 3 1 1 A 21 21 ALA CB C 19 19.648 20.279 -0.631 1
1 230 . 3 1 1 A 21 21 ALA N N 19 131.180 130.376 0.804 1
1 231 . 3 1 1 A 22 22 ARG H H 20 7.813 7.979 -0.166 1
1 232 . 3 1 1 A 22 22 ARG HA H 20 2.621 2.822 -0.201 1
1 239 . 3 1 1 A 22 22 ARG C C 20 178.531 177.625 0.906 1
1 240 . 3 1 1 A 22 22 ARG CA C 20 59.155 58.639 0.516 1
1 241 . 3 1 1 A 22 22 ARG CB C 20 29.167 29.117 0.050 1
1 244 . 3 1 1 A 22 22 ARG N N 20 124.436 122.425 2.011 1
1 245 . 3 1 1 A 23 23 ALA H H 21 8.191 7.496 0.695 1
1 246 . 3 1 1 A 23 23 ALA HA H 21 4.023 4.038 -0.015 1
1 250 . 3 1 1 A 23 23 ALA C C 21 177.743 178.265 -0.522 1
1 251 . 3 1 1 A 23 23 ALA CA C 21 53.809 53.514 0.295 1
1 252 . 3 1 1 A 23 23 ALA CB C 21 18.712 18.357 0.355 1
1 253 . 3 1 1 A 23 23 ALA N N 21 117.354 120.149 -2.795 1
1 254 . 3 1 1 A 24 24 ASN H H 22 7.738 7.805 -0.067 1
1 255 . 3 1 1 A 24 24 ASN HA H 22 4.928 4.745 0.183 1
1 260 . 3 1 1 A 24 24 ASN C C 22 174.889 175.324 -0.435 1
1 261 . 3 1 1 A 24 24 ASN CA C 22 52.590 52.821 -0.231 1
1 262 . 3 1 1 A 24 24 ASN CB C 22 40.335 38.804 1.531 1
1 263 . 3 1 1 A 24 24 ASN N N 22 112.797 115.587 -2.790 1
1 265 . 3 1 1 A 25 25 VAL H H 23 7.438 7.217 0.221 1
1 266 . 3 1 1 A 25 25 VAL HA H 23 4.349 4.296 0.053 1
1 274 . 3 1 1 A 25 25 VAL C C 23 174.594 176.037 -1.443 1
1 275 . 3 1 1 A 25 25 VAL CA C 23 62.406 62.443 -0.037 1
1 276 . 3 1 1 A 25 25 VAL CB C 23 33.445 32.032 1.413 1
1 278 . 3 1 1 A 25 25 VAL N N 23 118.653 120.012 -1.359 1
1 279 . 3 1 1 A 26 26 LYS H H 24 9.262 9.710 -0.448 1
1 280 . 3 1 1 A 26 26 LYS HA H 24 4.394 4.276 0.118 1
1 289 . 3 1 1 A 26 26 LYS C C 24 175.247 175.941 -0.694 1
1 290 . 3 1 1 A 26 26 LYS CA C 24 56.483 58.005 -1.522 1
1 291 . 3 1 1 A 26 26 LYS CB C 24 35.022 33.739 1.283 1
1 295 . 3 1 1 A 26 26 LYS N N 24 125.308 130.052 -4.744 1
1 296 . 3 1 1 A 27 27 HIS H H 25 7.749 7.591 0.158 1
1 297 . 3 1 1 A 27 27 HIS HA H 25 4.625 4.904 -0.279 1
1 302 . 3 1 1 A 27 27 HIS C C 25 173.157 172.649 0.508 1
1 303 . 3 1 1 A 27 27 HIS CA C 25 55.916 55.843 0.073 1
1 304 . 3 1 1 A 27 27 HIS CB C 25 32.808 32.942 -0.134 1
1 307 . 3 1 1 A 27 27 HIS N N 25 115.509 116.961 -1.452 1
1 308 . 3 1 1 A 28 28 LEU H H 26 8.117 8.741 -0.624 1
1 309 . 3 1 1 A 28 28 LEU HA H 26 4.990 5.014 -0.024 1
1 319 . 3 1 1 A 28 28 LEU C C 26 175.514 175.028 0.486 1
1 320 . 3 1 1 A 28 28 LEU CA C 26 54.662 53.004 1.658 1
1 321 . 3 1 1 A 28 28 LEU CB C 26 45.594 43.728 1.866 1
1 325 . 3 1 1 A 29 29 LYS H H 27 9.028 9.652 -0.624 1
1 326 . 3 1 1 A 29 29 LYS HA H 27 4.585 5.240 -0.655 1
1 335 . 3 1 1 A 29 29 LYS C C 27 173.758 174.683 -0.925 1
1 336 . 3 1 1 A 29 29 LYS CA C 27 54.945 54.751 0.194 1
1 337 . 3 1 1 A 29 29 LYS CB C 27 36.358 36.405 -0.047 1
1 341 . 3 1 1 A 29 29 LYS N N 27 122.904 126.178 -3.274 1
1 342 . 3 1 1 A 30 30 ILE H H 28 8.540 9.020 -0.480 1
1 343 . 3 1 1 A 30 30 ILE HA H 28 4.626 4.830 -0.204 1
1 353 . 3 1 1 A 30 30 ILE C C 28 175.988 174.585 1.403 1
1 354 . 3 1 1 A 30 30 ILE CA C 28 60.122 59.619 0.503 1
1 355 . 3 1 1 A 30 30 ILE CB C 28 38.795 40.059 -1.264 1
1 359 . 3 1 1 A 30 30 ILE N N 28 123.517 127.354 -3.837 1
1 360 . 3 1 1 A 31 31 LEU H H 29 8.961 9.545 -0.584 1
1 361 . 3 1 1 A 31 31 LEU HA H 29 4.564 5.153 -0.589 1
1 371 . 3 1 1 A 31 31 LEU C C 29 176.005 175.407 0.598 1
1 372 . 3 1 1 A 31 31 LEU CA C 29 53.975 53.247 0.728 1
1 373 . 3 1 1 A 31 31 LEU CB C 29 43.485 43.170 0.315 1
1 376 . 3 1 1 A 31 31 LEU N N 29 128.881 127.059 1.822 1
1 377 . 3 1 1 A 32 32 ASN H H 30 8.763 9.038 -0.275 1
1 378 . 3 1 1 A 32 32 ASN HA H 30 4.991 5.770 -0.779 1
1 383 . 3 1 1 A 32 32 ASN C C 30 174.462 174.479 -0.017 1
1 384 . 3 1 1 A 32 32 ASN CA C 30 52.413 51.547 0.866 1
1 385 . 3 1 1 A 32 32 ASN CB C 30 39.238 40.433 -1.195 1
1 386 . 3 1 1 A 32 32 ASN N N 30 124.019 123.395 0.624 1
1 388 . 3 1 1 A 33 33 THR H H 31 8.170 8.004 0.166 1
1 389 . 3 1 1 A 33 33 THR HA H 31 4.628 4.992 -0.364 1
1 394 . 3 1 1 A 33 33 THR CA C 31 59.475 58.549 0.926 1
1 395 . 3 1 1 A 33 33 THR CB C 31 70.435 70.762 -0.327 1
1 397 . 3 1 1 A 33 33 THR N N 31 119.276 112.439 6.837 1
1 398 . 3 1 1 A 34 34 PRO HA H 32 4.223 4.355 -0.132 1
1 405 . 3 1 1 A 34 34 PRO C C 32 176.814 177.660 -0.846 1
1 406 . 3 1 1 A 34 34 PRO CA C 32 64.445 65.227 -0.782 1
1 407 . 3 1 1 A 34 34 PRO CB C 32 32.161 31.816 0.345 1
1 410 . 3 1 1 A 35 35 ASN H H 33 8.574 8.464 0.110 1
1 411 . 3 1 1 A 35 35 ASN HA H 33 4.320 4.708 -0.388 1
1 416 . 3 1 1 A 35 35 ASN C C 33 174.344 175.444 -1.100 1
1 417 . 3 1 1 A 35 35 ASN CA C 33 54.945 53.501 1.444 1
1 418 . 3 1 1 A 35 35 ASN CB C 33 38.122 38.508 -0.386 1
1 419 . 3 1 1 A 35 35 ASN N N 33 113.042 113.964 -0.922 1
1 421 . 3 1 1 A 36 36 CYS H H 34 7.554 7.916 -0.362 1
1 422 . 3 1 1 A 36 36 CYS HA H 34 4.891 4.849 0.042 1
1 425 . 3 1 1 A 36 36 CYS C C 34 173.880 173.496 0.384 1
1 426 . 3 1 1 A 36 36 CYS CA C 34 54.622 57.088 -2.466 1
1 427 . 3 1 1 A 36 36 CYS CB C 34 44.780 44.297 0.483 1
1 428 . 3 1 1 A 36 36 CYS N N 34 116.301 116.607 -0.306 1
1 429 . 3 1 1 A 37 37 ALA H H 35 8.418 7.194 1.224 1
1 430 . 3 1 1 A 37 37 ALA HA H 35 4.237 4.421 -0.184 1
1 434 . 3 1 1 A 37 37 ALA C C 35 176.677 175.022 1.655 1
1 435 . 3 1 1 A 37 37 ALA CA C 35 52.413 51.586 0.827 1
1 436 . 3 1 1 A 37 37 ALA CB C 35 18.992 21.152 -2.160 1
1 437 . 3 1 1 A 37 37 ALA N N 35 125.001 117.795 7.206 1
1 438 . 3 1 1 A 38 38 LEU H H 36 8.060 8.576 -0.516 1
1 439 . 3 1 1 A 38 38 LEU HA H 36 4.203 5.072 -0.869 1
1 449 . 3 1 1 A 38 38 LEU C C 36 176.194 176.190 0.004 1
1 450 . 3 1 1 A 38 38 LEU CA C 36 56.563 53.507 3.056 1
1 451 . 3 1 1 A 38 38 LEU CB C 36 42.488 43.688 -1.200 1
1 455 . 3 1 1 A 38 38 LEU N N 36 121.548 118.572 2.976 1
1 456 . 3 1 1 A 39 39 GLN H H 37 8.434 8.821 -0.387 1
1 457 . 3 1 1 A 39 39 GLN HA H 37 4.623 5.128 -0.505 1
1 464 . 3 1 1 A 39 39 GLN C C 37 173.581 174.817 -1.236 1
1 465 . 3 1 1 A 39 39 GLN CA C 37 54.109 54.476 -0.367 1
1 466 . 3 1 1 A 39 39 GLN CB C 37 32.286 31.247 1.039 1
1 468 . 3 1 1 A 39 39 GLN N N 37 123.271 123.125 0.146 1
1 470 . 3 1 1 A 40 40 ILE H H 38 9.408 8.837 0.571 1
1 471 . 3 1 1 A 40 40 ILE HA H 38 4.735 4.857 -0.122 1
1 481 . 3 1 1 A 40 40 ILE C C 38 174.547 174.714 -0.167 1
1 482 . 3 1 1 A 40 40 ILE CA C 38 60.122 60.086 0.036 1
1 483 . 3 1 1 A 40 40 ILE CB C 38 38.899 39.964 -1.065 1
1 487 . 3 1 1 A 40 40 ILE N N 38 124.702 125.089 -0.387 1
1 488 . 3 1 1 A 41 41 VAL H H 39 8.826 9.569 -0.743 1
1 489 . 3 1 1 A 41 41 VAL HA H 39 5.041 5.047 -0.006 1
1 497 . 3 1 1 A 41 41 VAL C C 39 174.772 174.988 -0.216 1
1 498 . 3 1 1 A 41 41 VAL CA C 39 60.111 61.283 -1.172 1
1 499 . 3 1 1 A 41 41 VAL CB C 39 34.767 33.840 0.927 1
1 501 . 3 1 1 A 41 41 VAL N N 39 124.047 128.212 -4.165 1
1 502 . 3 1 1 A 42 42 ALA H H 40 9.299 8.875 0.424 1
1 503 . 3 1 1 A 42 42 ALA HA H 40 5.276 5.927 -0.651 1
1 507 . 3 1 1 A 42 42 ALA C C 40 175.955 174.729 1.226 1
1 508 . 3 1 1 A 42 42 ALA CA C 40 50.093 50.536 -0.443 1
1 509 . 3 1 1 A 42 42 ALA CB C 40 23.800 23.752 0.048 1
1 510 . 3 1 1 A 42 42 ALA N N 40 126.567 128.411 -1.844 1
1 511 . 3 1 1 A 43 43 ARG H H 41 8.398 8.657 -0.259 1
1 512 . 3 1 1 A 43 43 ARG HA H 41 5.131 5.196 -0.065 1
1 519 . 3 1 1 A 43 43 ARG C C 41 176.184 175.471 0.713 1
1 520 . 3 1 1 A 43 43 ARG CA C 41 53.900 54.662 -0.762 1
1 521 . 3 1 1 A 43 43 ARG CB C 41 32.161 32.787 -0.626 1
1 524 . 3 1 1 A 43 43 ARG N N 41 118.991 121.383 -2.392 1
1 525 . 3 1 1 A 44 44 LEU H H 42 8.988 9.389 -0.401 1
1 526 . 3 1 1 A 44 44 LEU HA H 42 4.925 4.722 0.203 1
1 536 . 3 1 1 A 44 44 LEU C C 42 178.369 177.043 1.326 1
1 537 . 3 1 1 A 44 44 LEU CA C 42 54.329 54.866 -0.537 1
1 538 . 3 1 1 A 44 44 LEU CB C 42 41.497 42.306 -0.809 1
1 542 . 3 1 1 A 44 44 LEU N N 42 125.637 127.616 -1.979 1
1 543 . 3 1 1 A 45 45 LYS H H 43 8.470 9.369 -0.899 1
1 544 . 3 1 1 A 45 45 LYS HA H 43 3.823 4.139 -0.316 1
1 553 . 3 1 1 A 45 45 LYS CA C 43 59.340 58.730 0.610 1
1 554 . 3 1 1 A 45 45 LYS CB C 43 33.445 32.790 0.655 1
1 558 . 3 1 1 A 45 45 LYS N N 43 120.489 122.313 -1.824 1
1 559 . 3 1 1 A 46 46 ASN HA H 44 4.421 4.423 -0.002 1
1 564 . 3 1 1 A 46 46 ASN C C 44 175.970 177.122 -1.152 1
1 565 . 3 1 1 A 46 46 ASN CA C 44 55.457 56.143 -0.686 1
1 566 . 3 1 1 A 46 46 ASN CB C 44 37.507 37.368 0.139 1
1 568 . 3 1 1 A 47 47 ASN H H 45 7.483 7.987 -0.504 1
1 569 . 3 1 1 A 47 47 ASN HA H 45 4.706 4.770 -0.064 1
1 574 . 3 1 1 A 47 47 ASN C C 45 175.461 175.174 0.287 1
1 575 . 3 1 1 A 47 47 ASN CA C 45 52.769 52.880 -0.111 1
1 576 . 3 1 1 A 47 47 ASN CB C 45 39.194 39.467 -0.273 1
1 577 . 3 1 1 A 47 47 ASN N N 45 115.277 115.616 -0.339 1
1 579 . 3 1 1 A 48 48 ASN H H 46 7.995 8.309 -0.314 1
1 580 . 3 1 1 A 48 48 ASN HA H 46 4.661 4.997 -0.336 1
1 585 . 3 1 1 A 48 48 ASN C C 46 174.812 174.011 0.801 1
1 586 . 3 1 1 A 48 48 ASN CA C 46 54.298 54.610 -0.312 1
1 587 . 3 1 1 A 48 48 ASN CB C 46 39.103 37.698 1.405 1
1 588 . 3 1 1 A 48 48 ASN N N 46 116.416 117.188 -0.772 1
1 590 . 3 1 1 A 49 49 ARG H H 47 7.940 7.689 0.251 1
1 591 . 3 1 1 A 49 49 ARG HA H 47 4.205 4.886 -0.681 1
1 598 . 3 1 1 A 49 49 ARG C C 47 175.719 175.045 0.674 1
1 599 . 3 1 1 A 49 49 ARG CA C 47 57.084 54.605 2.479 1
1 600 . 3 1 1 A 49 49 ARG CB C 47 31.792 33.453 -1.661 1
1 603 . 3 1 1 A 49 49 ARG N N 47 120.017 114.745 5.272 1
1 604 . 3 1 1 A 50 50 GLN H H 48 8.641 8.434 0.207 1
1 605 . 3 1 1 A 50 50 GLN HA H 48 5.240 5.007 0.233 1
1 612 . 3 1 1 A 50 50 GLN C C 48 175.697 175.266 0.431 1
1 613 . 3 1 1 A 50 50 GLN CA C 48 55.454 56.156 -0.702 1
1 614 . 3 1 1 A 50 50 GLN CB C 48 30.959 29.328 1.631 1
1 616 . 3 1 1 A 50 50 GLN N N 48 123.029 121.463 1.566 1
1 618 . 3 1 1 A 51 51 VAL H H 49 9.018 8.988 0.030 1
1 619 . 3 1 1 A 51 51 VAL HA H 49 4.745 4.581 0.164 1
1 627 . 3 1 1 A 51 51 VAL C C 49 174.561 173.880 0.681 1
1 628 . 3 1 1 A 51 51 VAL CA C 49 59.266 59.840 -0.574 1
1 629 . 3 1 1 A 51 51 VAL CB C 49 35.845 35.526 0.319 1
1 632 . 3 1 1 A 51 51 VAL N N 49 119.358 119.379 -0.021 1
1 633 . 3 1 1 A 52 52 CYS H H 50 8.895 8.739 0.156 1
1 634 . 3 1 1 A 52 52 CYS HA H 50 5.636 5.444 0.192 1
1 637 . 3 1 1 A 52 52 CYS C C 50 174.469 173.227 1.242 1
1 638 . 3 1 1 A 52 52 CYS CA C 50 56.377 54.585 1.792 1
1 639 . 3 1 1 A 52 52 CYS CB C 50 44.680 43.743 0.937 1
1 640 . 3 1 1 A 52 52 CYS N N 50 120.834 122.125 -1.291 1
1 641 . 3 1 1 A 53 53 ILE H H 51 8.615 9.997 -1.382 1
1 642 . 3 1 1 A 53 53 ILE HA H 51 4.512 4.739 -0.227 1
1 652 . 3 1 1 A 53 53 ILE C C 51 174.137 175.644 -1.507 1
1 653 . 3 1 1 A 53 53 ILE CA C 51 59.397 60.455 -1.058 1
1 654 . 3 1 1 A 53 53 ILE CB C 51 39.603 40.223 -0.620 1
1 658 . 3 1 1 A 53 53 ILE N N 51 122.392 126.297 -3.905 1
1 659 . 3 1 1 A 54 54 ASP H H 52 7.766 8.704 -0.938 1
1 660 . 3 1 1 A 54 54 ASP HA H 52 3.572 4.199 -0.627 1
1 663 . 3 1 1 A 54 54 ASP CA C 52 51.578 51.870 -0.292 1
1 664 . 3 1 1 A 54 54 ASP CB C 52 42.381 40.411 1.970 1
1 665 . 3 1 1 A 54 54 ASP N N 52 126.398 126.219 0.179 1
1 666 . 3 1 1 A 55 55 PRO HA H 53 4.011 4.375 -0.364 1
1 673 . 3 1 1 A 55 55 PRO C C 53 176.274 177.336 -1.062 1
1 674 . 3 1 1 A 55 55 PRO CA C 53 63.546 63.965 -0.419 1
1 675 . 3 1 1 A 55 55 PRO CB C 53 32.270 31.878 0.392 1
1 678 . 3 1 1 A 56 56 LYS H H 54 8.053 8.026 0.027 1
1 679 . 3 1 1 A 56 56 LYS HA H 54 3.982 4.073 -0.091 1
1 688 . 3 1 1 A 56 56 LYS C C 54 177.867 177.159 0.708 1
1 689 . 3 1 1 A 56 56 LYS CA C 54 56.189 57.897 -1.708 1
1 690 . 3 1 1 A 56 56 LYS CB C 54 31.649 32.645 -0.996 1
1 694 . 3 1 1 A 56 56 LYS N N 54 115.161 117.007 -1.846 1
1 695 . 3 1 1 A 57 57 LEU H H 55 7.145 7.026 0.119 1
1 696 . 3 1 1 A 57 57 LEU HA H 55 4.027 4.146 -0.119 1
1 706 . 3 1 1 A 57 57 LEU C C 55 179.221 177.513 1.708 1
1 707 . 3 1 1 A 57 57 LEU CA C 55 14.371 55.531 -41.160 1
1 708 . 3 1 1 A 57 57 LEU CB C 55 41.739 41.948 -0.209 1
1 712 . 3 1 1 A 57 57 LEU N N 55 120.921 120.790 0.131 1
1 713 . 3 1 1 A 58 58 LYS H H 56 8.798 8.836 -0.038 1
1 714 . 3 1 1 A 58 58 LYS HA H 56 3.937 3.936 0.001 1
1 723 . 3 1 1 A 58 58 LYS C C 56 179.161 178.427 0.734 1
1 724 . 3 1 1 A 58 58 LYS CA C 56 60.116 59.565 0.551 1
1 725 . 3 1 1 A 58 58 LYS CB C 56 32.100 32.150 -0.050 1
1 729 . 3 1 1 A 58 58 LYS N N 56 125.449 124.939 0.510 1
1 730 . 3 1 1 A 59 59 TRP H H 57 7.821 8.297 -0.476 1
1 731 . 3 1 1 A 59 59 TRP HA H 57 4.636 4.614 0.022 1
1 740 . 3 1 1 A 59 59 TRP C C 57 178.642 178.514 0.128 1
1 741 . 3 1 1 A 59 59 TRP CA C 57 58.388 59.441 -1.053 1
1 742 . 3 1 1 A 59 59 TRP CB C 57 27.954 27.645 0.309 1
1 748 . 3 1 1 A 59 59 TRP N N 57 113.650 119.382 -5.732 1
1 750 . 3 1 1 A 60 60 ILE H H 58 6.340 7.620 -1.280 1
1 751 . 3 1 1 A 60 60 ILE HA H 58 3.620 3.405 0.215 1
1 761 . 3 1 1 A 60 60 ILE C C 58 177.104 177.519 -0.415 1
1 762 . 3 1 1 A 60 60 ILE CA C 58 61.605 64.153 -2.548 1
1 763 . 3 1 1 A 60 60 ILE CB C 58 36.043 35.857 0.186 1
1 767 . 3 1 1 A 60 60 ILE N N 58 123.265 122.097 1.168 1
1 768 . 3 1 1 A 61 61 GLN H H 59 7.710 7.819 -0.109 1
1 769 . 3 1 1 A 61 61 GLN HA H 59 3.824 3.925 -0.101 1
1 776 . 3 1 1 A 61 61 GLN C C 59 178.933 179.244 -0.311 1
1 777 . 3 1 1 A 61 61 GLN CA C 59 59.663 59.033 0.630 1
1 778 . 3 1 1 A 61 61 GLN CB C 59 27.972 28.373 -0.401 1
1 780 . 3 1 1 A 61 61 GLN N N 59 120.515 119.376 1.139 1
1 782 . 3 1 1 A 62 62 GLU H H 60 8.042 7.479 0.563 1
1 783 . 3 1 1 A 62 62 GLU HA H 60 4.093 4.081 0.012 1
1 788 . 3 1 1 A 62 62 GLU C C 60 178.539 178.813 -0.274 1
1 789 . 3 1 1 A 62 62 GLU CA C 60 59.152 59.517 -0.365 1
1 790 . 3 1 1 A 62 62 GLU CB C 60 29.896 29.532 0.364 1
1 792 . 3 1 1 A 62 62 GLU N N 60 117.976 120.980 -3.004 1
1 793 . 3 1 1 A 63 63 TYR H H 61 7.882 8.202 -0.320 1
1 794 . 3 1 1 A 63 63 TYR HA H 61 4.214 4.275 -0.061 1
1 801 . 3 1 1 A 63 63 TYR C C 61 178.157 177.607 0.550 1
1 802 . 3 1 1 A 63 63 TYR CA C 61 61.281 61.681 -0.400 1
1 803 . 3 1 1 A 63 63 TYR CB C 61 38.956 38.837 0.119 1
1 806 . 3 1 1 A 63 63 TYR N N 61 120.743 122.321 -1.578 1
1 807 . 3 1 1 A 64 64 LEU H H 62 8.438 9.115 -0.677 1
1 808 . 3 1 1 A 64 64 LEU HA H 62 3.886 3.554 0.332 1
1 818 . 3 1 1 A 64 64 LEU C C 62 178.678 179.215 -0.537 1
1 819 . 3 1 1 A 64 64 LEU CA C 62 57.619 58.094 -0.475 1
1 820 . 3 1 1 A 64 64 LEU CB C 62 41.868 41.560 0.308 1
1 824 . 3 1 1 A 64 64 LEU N N 62 119.052 120.315 -1.263 1
1 825 . 3 1 1 A 65 65 GLU H H 63 7.884 8.064 -0.180 1
1 826 . 3 1 1 A 65 65 GLU HA H 63 3.998 3.913 0.085 1
1 831 . 3 1 1 A 65 65 GLU C C 63 178.447 178.927 -0.480 1
1 832 . 3 1 1 A 65 65 GLU CA C 63 59.143 59.605 -0.462 1
1 833 . 3 1 1 A 65 65 GLU CB C 63 29.708 29.326 0.382 1
1 835 . 3 1 1 A 65 65 GLU N N 63 118.310 117.124 1.186 1
1 836 . 3 1 1 A 66 66 LYS H H 64 7.576 8.025 -0.449 1
1 837 . 3 1 1 A 66 66 LYS HA H 64 4.208 4.097 0.111 1
1 846 . 3 1 1 A 66 66 LYS C C 64 177.941 178.999 -1.058 1
1 847 . 3 1 1 A 66 66 LYS CA C 64 57.543 58.859 -1.316 1
1 848 . 3 1 1 A 66 66 LYS CB C 64 32.620 31.815 0.805 1
1 852 . 3 1 1 A 66 66 LYS N N 64 117.398 118.799 -1.401 1
1 853 . 3 1 1 A 67 67 ALA H H 65 7.934 8.070 -0.136 1
1 854 . 3 1 1 A 67 67 ALA HA H 65 4.106 4.014 0.092 1
1 858 . 3 1 1 A 67 67 ALA C C 65 178.624 180.347 -1.723 1
1 859 . 3 1 1 A 67 67 ALA CA C 65 53.790 54.610 -0.820 1
1 860 . 3 1 1 A 67 67 ALA CB C 65 19.106 18.135 0.971 1
1 861 . 3 1 1 A 67 67 ALA N N 65 121.561 122.703 -1.142 1
1 862 . 3 1 1 A 68 68 LEU H H 66 7.835 7.990 -0.155 1
1 863 . 3 1 1 A 68 68 LEU HA H 66 4.268 3.995 0.273 1
1 873 . 3 1 1 A 68 68 LEU CA C 66 55.593 57.101 -1.508 1
1 874 . 3 1 1 A 68 68 LEU CB C 66 42.191 41.875 0.316 1
1 877 . 3 1 1 A 68 68 LEU N N 66 117.270 120.151 -2.881 1
1 878 . 3 1 1 A 69 69 ASN H H 67 7.914 7.848 0.066 1
1 879 . 3 1 1 A 69 69 ASN HA H 67 4.731 4.376 0.355 1
1 884 . 3 1 1 A 69 69 ASN C C 67 174.039 176.027 -1.988 1
1 885 . 3 1 1 A 69 69 ASN CA C 67 53.328 56.793 -3.465 1
1 886 . 3 1 1 A 69 69 ASN CB C 67 39.091 38.741 0.350 1
1 887 . 3 1 1 A 69 69 ASN N N 67 118.309 117.881 0.428 1
1 18 . 4 1 1 A 4 4 PRO HA H 2 4.447 4.756 -0.309 1
1 25 . 4 1 1 A 4 4 PRO C C 2 176.996 176.517 0.479 1
1 26 . 4 1 1 A 4 4 PRO CA C 2 63.494 62.459 1.035 1
1 27 . 4 1 1 A 4 4 PRO CB C 2 32.161 32.623 -0.462 1
1 30 . 4 1 1 A 5 5 VAL H H 3 8.292 8.141 0.151 1
1 31 . 4 1 1 A 5 5 VAL HA H 3 4.074 4.655 -0.581 1
1 39 . 4 1 1 A 5 5 VAL C C 3 176.376 174.369 2.007 1
1 40 . 4 1 1 A 5 5 VAL CA C 3 62.495 59.289 3.206 1
1 41 . 4 1 1 A 5 5 VAL CB C 3 32.808 33.972 -1.164 1
1 43 . 4 1 1 A 5 5 VAL N N 3 121.008 116.962 4.046 1
1 44 . 4 1 1 A 6 6 SER H H 4 8.313 8.772 -0.459 1
1 45 . 4 1 1 A 6 6 SER HA H 4 4.419 5.107 -0.688 1
1 48 . 4 1 1 A 6 6 SER C C 4 174.577 173.746 0.831 1
1 49 . 4 1 1 A 6 6 SER CA C 4 58.148 57.858 0.290 1
1 50 . 4 1 1 A 6 6 SER CB C 4 63.870 63.929 -0.059 1
1 51 . 4 1 1 A 6 6 SER N N 4 119.573 118.907 0.666 1
1 52 . 4 1 1 A 7 7 LEU H H 5 8.326 8.723 -0.397 1
1 53 . 4 1 1 A 7 7 LEU HA H 5 4.342 4.790 -0.448 1
1 63 . 4 1 1 A 7 7 LEU C C 5 177.341 176.516 0.825 1
1 64 . 4 1 1 A 7 7 LEU CA C 5 55.388 53.611 1.777 1
1 65 . 4 1 1 A 7 7 LEU CB C 5 42.650 43.518 -0.868 1
1 68 . 4 1 1 A 7 7 LEU N N 5 125.039 128.233 -3.194 1
1 69 . 4 1 1 A 8 8 SER H H 6 8.157 8.509 -0.352 1
1 70 . 4 1 1 A 8 8 SER HA H 6 4.360 4.176 0.184 1
1 73 . 4 1 1 A 8 8 SER C C 6 174.189 172.668 1.521 1
1 74 . 4 1 1 A 8 8 SER CA C 6 58.433 59.071 -0.638 1
1 75 . 4 1 1 A 8 8 SER CB C 6 63.870 62.038 1.832 1
1 76 . 4 1 1 A 8 8 SER N N 6 116.154 113.781 2.373 1
1 77 . 4 1 1 A 9 9 TYR H H 7 8.017 8.287 -0.270 1
1 78 . 4 1 1 A 9 9 TYR HA H 7 4.512 4.889 -0.377 1
1 85 . 4 1 1 A 9 9 TYR C C 7 175.520 175.043 0.477 1
1 86 . 4 1 1 A 9 9 TYR CA C 7 58.008 57.012 0.996 1
1 87 . 4 1 1 A 9 9 TYR CB C 7 38.956 39.597 -0.641 1
1 90 . 4 1 1 A 9 9 TYR N N 7 122.213 126.688 -4.475 1
1 91 . 4 1 1 A 10 10 ARG H H 8 8.152 8.413 -0.261 1
1 92 . 4 1 1 A 10 10 ARG HA H 8 4.260 4.440 -0.180 1
1 99 . 4 1 1 A 10 10 ARG C C 8 175.918 175.722 0.196 1
1 100 . 4 1 1 A 10 10 ARG CA C 8 56.104 56.531 -0.427 1
1 101 . 4 1 1 A 10 10 ARG CB C 8 30.875 32.609 -1.734 1
1 104 . 4 1 1 A 10 10 ARG N N 8 122.182 126.835 -4.653 1
1 105 . 4 1 1 A 11 11 CYS H H 9 8.132 7.426 0.706 1
1 106 . 4 1 1 A 11 11 CYS HA H 9 4.935 4.509 0.426 1
1 109 . 4 1 1 A 11 11 CYS C C 9 173.615 173.306 0.309 1
1 110 . 4 1 1 A 11 11 CYS CA C 9 53.127 55.181 -2.054 1
1 111 . 4 1 1 A 11 11 CYS CB C 9 40.201 42.074 -1.873 1
1 112 . 4 1 1 A 11 11 CYS N N 9 121.280 117.384 3.896 1
1 113 . 4 1 1 A 12 12 PRO HA H 10 4.290 4.399 -0.109 1
1 120 . 4 1 1 A 12 12 PRO C C 10 177.703 176.003 1.700 1
1 121 . 4 1 1 A 12 12 PRO CA C 10 64.835 64.161 0.674 1
1 122 . 4 1 1 A 12 12 PRO CB C 10 32.484 31.779 0.705 1
1 125 . 4 1 1 A 13 13 CYS H H 11 8.300 7.375 0.925 1
1 126 . 4 1 1 A 13 13 CYS HA H 11 4.891 4.828 0.063 1
1 129 . 4 1 1 A 13 13 CYS C C 11 174.202 172.968 1.234 1
1 130 . 4 1 1 A 13 13 CYS CA C 11 53.480 55.503 -2.023 1
1 131 . 4 1 1 A 13 13 CYS CB C 11 39.603 45.685 -6.082 1
1 132 . 4 1 1 A 13 13 CYS N N 11 114.161 114.387 -0.226 1
1 133 . 4 1 1 A 14 14 ARG HA H 12 3.963 4.085 -0.122 1
1 140 . 4 1 1 A 14 14 ARG C C 12 175.202 175.446 -0.244 1
1 141 . 4 1 1 A 14 14 ARG CA C 12 57.293 56.935 0.358 1
1 142 . 4 1 1 A 14 14 ARG CB C 12 31.099 32.474 -1.375 1
1 145 . 4 1 1 A 15 15 PHE H H 13 7.543 7.897 -0.354 1
1 146 . 4 1 1 A 15 15 PHE HA H 13 4.496 4.702 -0.206 1
1 154 . 4 1 1 A 15 15 PHE C C 13 174.226 174.951 -0.725 1
1 155 . 4 1 1 A 15 15 PHE CA C 13 55.971 56.624 -0.653 1
1 156 . 4 1 1 A 15 15 PHE CB C 13 41.032 39.943 1.089 1
1 160 . 4 1 1 A 15 15 PHE N N 13 116.175 117.444 -1.269 1
1 161 . 4 1 1 A 16 16 PHE H H 14 8.305 9.011 -0.706 1
1 162 . 4 1 1 A 16 16 PHE HA H 14 4.812 4.903 -0.091 1
1 170 . 4 1 1 A 16 16 PHE C C 14 175.247 176.237 -0.990 1
1 171 . 4 1 1 A 16 16 PHE CA C 14 55.559 56.941 -1.382 1
1 172 . 4 1 1 A 16 16 PHE CB C 14 41.220 41.537 -0.317 1
1 176 . 4 1 1 A 16 16 PHE N N 14 119.656 122.629 -2.973 1
1 177 . 4 1 1 A 17 17 GLU H H 15 8.879 9.428 -0.549 1
1 178 . 4 1 1 A 17 17 GLU HA H 15 4.536 4.041 0.495 1
1 183 . 4 1 1 A 17 17 GLU C C 15 176.747 176.666 0.081 1
1 184 . 4 1 1 A 17 17 GLU CA C 15 56.012 59.403 -3.391 1
1 185 . 4 1 1 A 17 17 GLU CB C 15 30.876 29.691 1.185 1
1 187 . 4 1 1 A 17 17 GLU N N 15 122.563 124.447 -1.884 1
1 188 . 4 1 1 A 18 18 SER H H 16 8.810 8.314 0.496 1
1 189 . 4 1 1 A 18 18 SER HA H 16 4.673 4.174 0.499 1
1 192 . 4 1 1 A 18 18 SER C C 16 174.278 174.240 0.038 1
1 193 . 4 1 1 A 18 18 SER CA C 16 59.799 59.633 0.166 1
1 194 . 4 1 1 A 18 18 SER CB C 16 63.999 63.063 0.936 1
1 195 . 4 1 1 A 18 18 SER N N 16 119.679 114.668 5.011 1
1 196 . 4 1 1 A 19 19 HIS H H 17 8.712 8.092 0.620 1
1 197 . 4 1 1 A 19 19 HIS HA H 17 4.777 4.794 -0.017 1
1 202 . 4 1 1 A 19 19 HIS C C 17 174.580 175.167 -0.587 1
1 203 . 4 1 1 A 19 19 HIS CA C 17 56.240 55.269 0.971 1
1 204 . 4 1 1 A 19 19 HIS CB C 17 29.896 30.294 -0.398 1
1 207 . 4 1 1 A 19 19 HIS N N 17 120.269 119.944 0.325 1
1 208 . 4 1 1 A 20 20 VAL H H 18 7.145 7.769 -0.624 1
1 209 . 4 1 1 A 20 20 VAL HA H 18 4.132 4.156 -0.024 1
1 217 . 4 1 1 A 20 20 VAL C C 18 174.138 175.366 -1.228 1
1 218 . 4 1 1 A 20 20 VAL CA C 18 61.605 61.960 -0.355 1
1 219 . 4 1 1 A 20 20 VAL CB C 18 34.102 32.982 1.120 1
1 221 . 4 1 1 A 20 20 VAL N N 18 120.100 119.939 0.161 1
1 222 . 4 1 1 A 21 21 ALA H H 19 8.554 8.314 0.240 1
1 223 . 4 1 1 A 21 21 ALA HA H 19 4.353 4.278 0.075 1
1 227 . 4 1 1 A 21 21 ALA C C 19 177.514 177.488 0.026 1
1 228 . 4 1 1 A 21 21 ALA CA C 19 50.666 49.935 0.731 1
1 229 . 4 1 1 A 21 21 ALA CB C 19 19.648 21.535 -1.887 1
1 230 . 4 1 1 A 21 21 ALA N N 19 131.180 129.377 1.803 1
1 231 . 4 1 1 A 22 22 ARG H H 20 7.813 7.951 -0.138 1
1 232 . 4 1 1 A 22 22 ARG HA H 20 2.621 2.835 -0.214 1
1 239 . 4 1 1 A 22 22 ARG C C 20 178.531 177.500 1.031 1
1 240 . 4 1 1 A 22 22 ARG CA C 20 59.155 58.738 0.417 1
1 241 . 4 1 1 A 22 22 ARG CB C 20 29.167 29.363 -0.196 1
1 244 . 4 1 1 A 22 22 ARG N N 20 124.436 119.840 4.596 1
1 245 . 4 1 1 A 23 23 ALA H H 21 8.191 7.421 0.770 1
1 246 . 4 1 1 A 23 23 ALA HA H 21 4.023 4.050 -0.027 1
1 250 . 4 1 1 A 23 23 ALA C C 21 177.743 178.087 -0.344 1
1 251 . 4 1 1 A 23 23 ALA CA C 21 53.809 53.267 0.542 1
1 252 . 4 1 1 A 23 23 ALA CB C 21 18.712 18.458 0.254 1
1 253 . 4 1 1 A 23 23 ALA N N 21 117.354 119.986 -2.632 1
1 254 . 4 1 1 A 24 24 ASN H H 22 7.738 7.851 -0.113 1
1 255 . 4 1 1 A 24 24 ASN HA H 22 4.928 4.786 0.142 1
1 260 . 4 1 1 A 24 24 ASN C C 22 174.889 175.196 -0.307 1
1 261 . 4 1 1 A 24 24 ASN CA C 22 52.590 52.699 -0.109 1
1 262 . 4 1 1 A 24 24 ASN CB C 22 40.335 38.679 1.656 1
1 263 . 4 1 1 A 24 24 ASN N N 22 112.797 115.328 -2.531 1
1 265 . 4 1 1 A 25 25 VAL H H 23 7.438 7.177 0.261 1
1 266 . 4 1 1 A 25 25 VAL HA H 23 4.349 4.390 -0.041 1
1 274 . 4 1 1 A 25 25 VAL C C 23 174.594 175.930 -1.336 1
1 275 . 4 1 1 A 25 25 VAL CA C 23 62.406 62.212 0.194 1
1 276 . 4 1 1 A 25 25 VAL CB C 23 33.445 32.216 1.229 1
1 278 . 4 1 1 A 25 25 VAL N N 23 118.653 119.714 -1.061 1
1 279 . 4 1 1 A 26 26 LYS H H 24 9.262 9.692 -0.430 1
1 280 . 4 1 1 A 26 26 LYS HA H 24 4.394 4.251 0.143 1
1 289 . 4 1 1 A 26 26 LYS C C 24 175.247 175.666 -0.419 1
1 290 . 4 1 1 A 26 26 LYS CA C 24 56.483 58.096 -1.613 1
1 291 . 4 1 1 A 26 26 LYS CB C 24 35.022 33.690 1.332 1
1 295 . 4 1 1 A 26 26 LYS N N 24 125.308 130.092 -4.784 1
1 296 . 4 1 1 A 27 27 HIS H H 25 7.749 7.339 0.410 1
1 297 . 4 1 1 A 27 27 HIS HA H 25 4.625 4.921 -0.296 1
1 302 . 4 1 1 A 27 27 HIS C C 25 173.157 172.755 0.402 1
1 303 . 4 1 1 A 27 27 HIS CA C 25 55.916 54.892 1.024 1
1 304 . 4 1 1 A 27 27 HIS CB C 25 32.808 33.283 -0.475 1
1 307 . 4 1 1 A 27 27 HIS N N 25 115.509 117.407 -1.898 1
1 308 . 4 1 1 A 28 28 LEU H H 26 8.117 8.593 -0.476 1
1 309 . 4 1 1 A 28 28 LEU HA H 26 4.990 4.970 0.020 1
1 319 . 4 1 1 A 28 28 LEU C C 26 175.514 174.889 0.625 1
1 320 . 4 1 1 A 28 28 LEU CA C 26 54.662 54.237 0.425 1
1 321 . 4 1 1 A 28 28 LEU CB C 26 45.594 44.132 1.462 1
1 325 . 4 1 1 A 29 29 LYS H H 27 9.028 9.703 -0.675 1
1 326 . 4 1 1 A 29 29 LYS HA H 27 4.585 4.980 -0.395 1
1 335 . 4 1 1 A 29 29 LYS C C 27 173.758 174.863 -1.105 1
1 336 . 4 1 1 A 29 29 LYS CA C 27 54.945 54.724 0.221 1
1 337 . 4 1 1 A 29 29 LYS CB C 27 36.358 34.976 1.382 1
1 341 . 4 1 1 A 29 29 LYS N N 27 122.904 126.704 -3.800 1
1 342 . 4 1 1 A 30 30 ILE H H 28 8.540 9.039 -0.499 1
1 343 . 4 1 1 A 30 30 ILE HA H 28 4.626 4.794 -0.168 1
1 353 . 4 1 1 A 30 30 ILE C C 28 175.988 175.263 0.725 1
1 354 . 4 1 1 A 30 30 ILE CA C 28 60.122 59.918 0.204 1
1 355 . 4 1 1 A 30 30 ILE CB C 28 38.795 38.462 0.333 1
1 359 . 4 1 1 A 30 30 ILE N N 28 123.517 128.581 -5.064 1
1 360 . 4 1 1 A 31 31 LEU H H 29 8.961 9.262 -0.301 1
1 361 . 4 1 1 A 31 31 LEU HA H 29 4.564 5.035 -0.471 1
1 371 . 4 1 1 A 31 31 LEU C C 29 176.005 174.616 1.389 1
1 372 . 4 1 1 A 31 31 LEU CA C 29 53.975 53.412 0.563 1
1 373 . 4 1 1 A 31 31 LEU CB C 29 43.485 43.406 0.079 1
1 376 . 4 1 1 A 31 31 LEU N N 29 128.881 128.104 0.777 1
1 377 . 4 1 1 A 32 32 ASN H H 30 8.763 8.936 -0.173 1
1 378 . 4 1 1 A 32 32 ASN HA H 30 4.991 5.053 -0.062 1
1 383 . 4 1 1 A 32 32 ASN C C 30 174.462 174.107 0.355 1
1 384 . 4 1 1 A 32 32 ASN CA C 30 52.413 52.041 0.372 1
1 385 . 4 1 1 A 32 32 ASN CB C 30 39.238 39.992 -0.754 1
1 386 . 4 1 1 A 32 32 ASN N N 30 124.019 123.483 0.536 1
1 388 . 4 1 1 A 33 33 THR H H 31 8.170 8.733 -0.563 1
1 389 . 4 1 1 A 33 33 THR HA H 31 4.628 4.819 -0.191 1
1 394 . 4 1 1 A 33 33 THR CA C 31 59.475 59.203 0.272 1
1 395 . 4 1 1 A 33 33 THR CB C 31 70.435 69.817 0.618 1
1 397 . 4 1 1 A 33 33 THR N N 31 119.276 121.006 -1.730 1
1 398 . 4 1 1 A 34 34 PRO HA H 32 4.223 4.322 -0.099 1
1 405 . 4 1 1 A 34 34 PRO C C 32 176.814 177.617 -0.803 1
1 406 . 4 1 1 A 34 34 PRO CA C 32 64.445 65.449 -1.004 1
1 407 . 4 1 1 A 34 34 PRO CB C 32 32.161 32.032 0.129 1
1 410 . 4 1 1 A 35 35 ASN H H 33 8.574 8.452 0.122 1
1 411 . 4 1 1 A 35 35 ASN HA H 33 4.320 4.723 -0.403 1
1 416 . 4 1 1 A 35 35 ASN C C 33 174.344 175.840 -1.496 1
1 417 . 4 1 1 A 35 35 ASN CA C 33 54.945 53.611 1.334 1
1 418 . 4 1 1 A 35 35 ASN CB C 33 38.122 38.821 -0.699 1
1 419 . 4 1 1 A 35 35 ASN N N 33 113.042 114.406 -1.364 1
1 421 . 4 1 1 A 36 36 CYS H H 34 7.554 7.965 -0.411 1
1 422 . 4 1 1 A 36 36 CYS HA H 34 4.891 4.743 0.148 1
1 425 . 4 1 1 A 36 36 CYS C C 34 173.880 173.968 -0.088 1
1 426 . 4 1 1 A 36 36 CYS CA C 34 54.622 55.629 -1.007 1
1 427 . 4 1 1 A 36 36 CYS CB C 34 44.780 43.831 0.949 1
1 428 . 4 1 1 A 36 36 CYS N N 34 116.301 116.608 -0.307 1
1 429 . 4 1 1 A 37 37 ALA H H 35 8.418 7.829 0.589 1
1 430 . 4 1 1 A 37 37 ALA HA H 35 4.237 4.003 0.234 1
1 434 . 4 1 1 A 37 37 ALA C C 35 176.677 176.272 0.405 1
1 435 . 4 1 1 A 37 37 ALA CA C 35 52.413 54.174 -1.761 1
1 436 . 4 1 1 A 37 37 ALA CB C 35 18.992 17.799 1.193 1
1 437 . 4 1 1 A 37 37 ALA N N 35 125.001 122.547 2.454 1
1 438 . 4 1 1 A 38 38 LEU H H 36 8.060 8.515 -0.455 1
1 439 . 4 1 1 A 38 38 LEU HA H 36 4.203 4.628 -0.425 1
1 449 . 4 1 1 A 38 38 LEU C C 36 176.194 176.173 0.021 1
1 450 . 4 1 1 A 38 38 LEU CA C 36 56.563 54.408 2.155 1
1 451 . 4 1 1 A 38 38 LEU CB C 36 42.488 42.138 0.350 1
1 455 . 4 1 1 A 38 38 LEU N N 36 121.548 120.020 1.528 1
1 456 . 4 1 1 A 39 39 GLN H H 37 8.434 8.897 -0.463 1
1 457 . 4 1 1 A 39 39 GLN HA H 37 4.623 5.072 -0.449 1
1 464 . 4 1 1 A 39 39 GLN C C 37 173.581 174.847 -1.266 1
1 465 . 4 1 1 A 39 39 GLN CA C 37 54.109 54.478 -0.369 1
1 466 . 4 1 1 A 39 39 GLN CB C 37 32.286 30.685 1.601 1
1 468 . 4 1 1 A 39 39 GLN N N 37 123.271 121.796 1.475 1
1 470 . 4 1 1 A 40 40 ILE H H 38 9.408 8.503 0.905 1
1 471 . 4 1 1 A 40 40 ILE HA H 38 4.735 4.852 -0.117 1
1 481 . 4 1 1 A 40 40 ILE C C 38 174.547 175.540 -0.993 1
1 482 . 4 1 1 A 40 40 ILE CA C 38 60.122 60.329 -0.207 1
1 483 . 4 1 1 A 40 40 ILE CB C 38 38.899 39.608 -0.709 1
1 487 . 4 1 1 A 40 40 ILE N N 38 124.702 126.125 -1.423 1
1 488 . 4 1 1 A 41 41 VAL H H 39 8.826 9.344 -0.518 1
1 489 . 4 1 1 A 41 41 VAL HA H 39 5.041 4.943 0.098 1
1 497 . 4 1 1 A 41 41 VAL C C 39 174.772 175.149 -0.377 1
1 498 . 4 1 1 A 41 41 VAL CA C 39 60.111 61.313 -1.202 1
1 499 . 4 1 1 A 41 41 VAL CB C 39 34.767 33.572 1.195 1
1 501 . 4 1 1 A 41 41 VAL N N 39 124.047 128.261 -4.214 1
1 502 . 4 1 1 A 42 42 ALA H H 40 9.299 9.182 0.117 1
1 503 . 4 1 1 A 42 42 ALA HA H 40 5.276 6.052 -0.776 1
1 507 . 4 1 1 A 42 42 ALA C C 40 175.955 174.934 1.021 1
1 508 . 4 1 1 A 42 42 ALA CA C 40 50.093 50.322 -0.229 1
1 509 . 4 1 1 A 42 42 ALA CB C 40 23.800 23.544 0.256 1
1 510 . 4 1 1 A 42 42 ALA N N 40 126.567 129.159 -2.592 1
1 511 . 4 1 1 A 43 43 ARG H H 41 8.398 8.907 -0.509 1
1 512 . 4 1 1 A 43 43 ARG HA H 41 5.131 5.181 -0.050 1
1 519 . 4 1 1 A 43 43 ARG C C 41 176.184 175.512 0.672 1
1 520 . 4 1 1 A 43 43 ARG CA C 41 53.900 54.487 -0.587 1
1 521 . 4 1 1 A 43 43 ARG CB C 41 32.161 33.390 -1.229 1
1 524 . 4 1 1 A 43 43 ARG N N 41 118.991 121.923 -2.932 1
1 525 . 4 1 1 A 44 44 LEU H H 42 8.988 9.379 -0.391 1
1 526 . 4 1 1 A 44 44 LEU HA H 42 4.925 4.857 0.068 1
1 536 . 4 1 1 A 44 44 LEU C C 42 178.369 176.686 1.683 1
1 537 . 4 1 1 A 44 44 LEU CA C 42 54.329 54.961 -0.632 1
1 538 . 4 1 1 A 44 44 LEU CB C 42 41.497 42.352 -0.855 1
1 542 . 4 1 1 A 44 44 LEU N N 42 125.637 127.601 -1.964 1
1 543 . 4 1 1 A 45 45 LYS H H 43 8.470 9.370 -0.900 1
1 544 . 4 1 1 A 45 45 LYS HA H 43 3.823 4.198 -0.375 1
1 553 . 4 1 1 A 45 45 LYS CA C 43 59.340 58.531 0.809 1
1 554 . 4 1 1 A 45 45 LYS CB C 43 33.445 32.920 0.525 1
1 558 . 4 1 1 A 45 45 LYS N N 43 120.489 122.329 -1.840 1
1 559 . 4 1 1 A 46 46 ASN HA H 44 4.421 4.548 -0.127 1
1 564 . 4 1 1 A 46 46 ASN C C 44 175.970 176.754 -0.784 1
1 565 . 4 1 1 A 46 46 ASN CA C 44 55.457 55.841 -0.384 1
1 566 . 4 1 1 A 46 46 ASN CB C 44 37.507 38.610 -1.103 1
1 568 . 4 1 1 A 47 47 ASN H H 45 7.483 7.964 -0.481 1
1 569 . 4 1 1 A 47 47 ASN HA H 45 4.706 4.806 -0.100 1
1 574 . 4 1 1 A 47 47 ASN C C 45 175.461 175.283 0.178 1
1 575 . 4 1 1 A 47 47 ASN CA C 45 52.769 52.760 0.009 1
1 576 . 4 1 1 A 47 47 ASN CB C 45 39.194 39.609 -0.415 1
1 577 . 4 1 1 A 47 47 ASN N N 45 115.277 114.467 0.810 1
1 579 . 4 1 1 A 48 48 ASN H H 46 7.995 8.324 -0.329 1
1 580 . 4 1 1 A 48 48 ASN HA H 46 4.661 4.915 -0.254 1
1 585 . 4 1 1 A 48 48 ASN C C 46 174.812 174.484 0.328 1
1 586 . 4 1 1 A 48 48 ASN CA C 46 54.298 54.603 -0.305 1
1 587 . 4 1 1 A 48 48 ASN CB C 46 39.103 38.224 0.879 1
1 588 . 4 1 1 A 48 48 ASN N N 46 116.416 117.131 -0.715 1
1 590 . 4 1 1 A 49 49 ARG H H 47 7.940 7.759 0.181 1
1 591 . 4 1 1 A 49 49 ARG HA H 47 4.205 4.800 -0.595 1
1 598 . 4 1 1 A 49 49 ARG C C 47 175.719 174.985 0.734 1
1 599 . 4 1 1 A 49 49 ARG CA C 47 57.084 55.228 1.856 1
1 600 . 4 1 1 A 49 49 ARG CB C 47 31.792 32.314 -0.522 1
1 603 . 4 1 1 A 49 49 ARG N N 47 120.017 116.789 3.228 1
1 604 . 4 1 1 A 50 50 GLN H H 48 8.641 8.627 0.014 1
1 605 . 4 1 1 A 50 50 GLN HA H 48 5.240 4.862 0.378 1
1 612 . 4 1 1 A 50 50 GLN C C 48 175.697 174.845 0.852 1
1 613 . 4 1 1 A 50 50 GLN CA C 48 55.454 55.456 -0.002 1
1 614 . 4 1 1 A 50 50 GLN CB C 48 30.959 29.855 1.104 1
1 616 . 4 1 1 A 50 50 GLN N N 48 123.029 123.219 -0.190 1
1 618 . 4 1 1 A 51 51 VAL H H 49 9.018 9.514 -0.496 1
1 619 . 4 1 1 A 51 51 VAL HA H 49 4.745 4.871 -0.126 1
1 627 . 4 1 1 A 51 51 VAL C C 49 174.561 173.985 0.576 1
1 628 . 4 1 1 A 51 51 VAL CA C 49 59.266 59.568 -0.302 1
1 629 . 4 1 1 A 51 51 VAL CB C 49 35.845 35.295 0.550 1
1 632 . 4 1 1 A 51 51 VAL N N 49 119.358 124.657 -5.299 1
1 633 . 4 1 1 A 52 52 CYS H H 50 8.895 8.893 0.002 1
1 634 . 4 1 1 A 52 52 CYS HA H 50 5.636 5.501 0.135 1
1 637 . 4 1 1 A 52 52 CYS C C 50 174.469 172.640 1.829 1
1 638 . 4 1 1 A 52 52 CYS CA C 50 56.377 54.605 1.772 1
1 639 . 4 1 1 A 52 52 CYS CB C 50 44.680 44.202 0.478 1
1 640 . 4 1 1 A 52 52 CYS N N 50 120.834 122.373 -1.539 1
1 641 . 4 1 1 A 53 53 ILE H H 51 8.615 9.828 -1.213 1
1 642 . 4 1 1 A 53 53 ILE HA H 51 4.512 4.678 -0.166 1
1 652 . 4 1 1 A 53 53 ILE C C 51 174.137 174.130 0.007 1
1 653 . 4 1 1 A 53 53 ILE CA C 51 59.397 60.091 -0.694 1
1 654 . 4 1 1 A 53 53 ILE CB C 51 39.603 40.953 -1.350 1
1 658 . 4 1 1 A 53 53 ILE N N 51 122.392 125.184 -2.792 1
1 659 . 4 1 1 A 54 54 ASP H H 52 7.766 8.349 -0.583 1
1 660 . 4 1 1 A 54 54 ASP HA H 52 3.572 3.667 -0.095 1
1 663 . 4 1 1 A 54 54 ASP CA C 52 51.578 51.277 0.301 1
1 664 . 4 1 1 A 54 54 ASP CB C 52 42.381 42.290 0.091 1
1 665 . 4 1 1 A 54 54 ASP N N 52 126.398 126.193 0.205 1
1 666 . 4 1 1 A 55 55 PRO HA H 53 4.011 4.192 -0.181 1
1 673 . 4 1 1 A 55 55 PRO C C 53 176.274 177.724 -1.450 1
1 674 . 4 1 1 A 55 55 PRO CA C 53 63.546 64.167 -0.621 1
1 675 . 4 1 1 A 55 55 PRO CB C 53 32.270 31.697 0.573 1
1 678 . 4 1 1 A 56 56 LYS H H 54 8.053 8.417 -0.364 1
1 679 . 4 1 1 A 56 56 LYS HA H 54 3.982 4.102 -0.120 1
1 688 . 4 1 1 A 56 56 LYS C C 54 177.867 176.809 1.058 1
1 689 . 4 1 1 A 56 56 LYS CA C 54 56.189 57.664 -1.475 1
1 690 . 4 1 1 A 56 56 LYS CB C 54 31.649 32.471 -0.822 1
1 694 . 4 1 1 A 56 56 LYS N N 54 115.161 116.797 -1.636 1
1 695 . 4 1 1 A 57 57 LEU H H 55 7.145 7.029 0.116 1
1 696 . 4 1 1 A 57 57 LEU HA H 55 4.027 4.118 -0.091 1
1 706 . 4 1 1 A 57 57 LEU C C 55 179.221 178.088 1.133 1
1 707 . 4 1 1 A 57 57 LEU CA C 55 14.371 55.470 -41.099 1
1 708 . 4 1 1 A 57 57 LEU CB C 55 41.739 42.015 -0.276 1
1 712 . 4 1 1 A 57 57 LEU N N 55 120.921 121.196 -0.275 1
1 713 . 4 1 1 A 58 58 LYS H H 56 8.798 8.642 0.156 1
1 714 . 4 1 1 A 58 58 LYS HA H 56 3.937 4.013 -0.076 1
1 723 . 4 1 1 A 58 58 LYS C C 56 179.161 177.630 1.531 1
1 724 . 4 1 1 A 58 58 LYS CA C 56 60.116 58.763 1.353 1
1 725 . 4 1 1 A 58 58 LYS CB C 56 32.100 32.173 -0.073 1
1 729 . 4 1 1 A 58 58 LYS N N 56 125.449 122.981 2.468 1
1 730 . 4 1 1 A 59 59 TRP H H 57 7.821 8.202 -0.381 1
1 731 . 4 1 1 A 59 59 TRP HA H 57 4.636 4.519 0.117 1
1 740 . 4 1 1 A 59 59 TRP C C 57 178.642 179.279 -0.637 1
1 741 . 4 1 1 A 59 59 TRP CA C 57 58.388 59.739 -1.351 1
1 742 . 4 1 1 A 59 59 TRP CB C 57 27.954 28.133 -0.179 1
1 748 . 4 1 1 A 59 59 TRP N N 57 113.650 119.435 -5.785 1
1 750 . 4 1 1 A 60 60 ILE H H 58 6.340 7.573 -1.233 1
1 751 . 4 1 1 A 60 60 ILE HA H 58 3.620 3.283 0.337 1
1 761 . 4 1 1 A 60 60 ILE C C 58 177.104 177.728 -0.624 1
1 762 . 4 1 1 A 60 60 ILE CA C 58 61.605 64.317 -2.712 1
1 763 . 4 1 1 A 60 60 ILE CB C 58 36.043 36.071 -0.028 1
1 767 . 4 1 1 A 60 60 ILE N N 58 123.265 122.225 1.040 1
1 768 . 4 1 1 A 61 61 GLN H H 59 7.710 8.079 -0.369 1
1 769 . 4 1 1 A 61 61 GLN HA H 59 3.824 3.906 -0.082 1
1 776 . 4 1 1 A 61 61 GLN C C 59 178.933 179.001 -0.068 1
1 777 . 4 1 1 A 61 61 GLN CA C 59 59.663 58.880 0.783 1
1 778 . 4 1 1 A 61 61 GLN CB C 59 27.972 28.299 -0.327 1
1 780 . 4 1 1 A 61 61 GLN N N 59 120.515 119.027 1.488 1
1 782 . 4 1 1 A 62 62 GLU H H 60 8.042 7.780 0.262 1
1 783 . 4 1 1 A 62 62 GLU HA H 60 4.093 4.092 0.001 1
1 788 . 4 1 1 A 62 62 GLU C C 60 178.539 178.562 -0.023 1
1 789 . 4 1 1 A 62 62 GLU CA C 60 59.152 59.007 0.145 1
1 790 . 4 1 1 A 62 62 GLU CB C 60 29.896 29.678 0.218 1
1 792 . 4 1 1 A 62 62 GLU N N 60 117.976 121.512 -3.536 1
1 793 . 4 1 1 A 63 63 TYR H H 61 7.882 8.166 -0.284 1
1 794 . 4 1 1 A 63 63 TYR HA H 61 4.214 4.228 -0.014 1
1 801 . 4 1 1 A 63 63 TYR C C 61 178.157 176.892 1.265 1
1 802 . 4 1 1 A 63 63 TYR CA C 61 61.281 61.447 -0.166 1
1 803 . 4 1 1 A 63 63 TYR CB C 61 38.956 38.693 0.263 1
1 806 . 4 1 1 A 63 63 TYR N N 61 120.743 123.398 -2.655 1
1 807 . 4 1 1 A 64 64 LEU H H 62 8.438 8.958 -0.520 1
1 808 . 4 1 1 A 64 64 LEU HA H 62 3.886 3.612 0.274 1
1 818 . 4 1 1 A 64 64 LEU C C 62 178.678 178.821 -0.143 1
1 819 . 4 1 1 A 64 64 LEU CA C 62 57.619 57.629 -0.010 1
1 820 . 4 1 1 A 64 64 LEU CB C 62 41.868 41.153 0.715 1
1 824 . 4 1 1 A 64 64 LEU N N 62 119.052 119.388 -0.336 1
1 825 . 4 1 1 A 65 65 GLU H H 63 7.884 8.228 -0.344 1
1 826 . 4 1 1 A 65 65 GLU HA H 63 3.998 3.856 0.142 1
1 831 . 4 1 1 A 65 65 GLU C C 63 178.447 178.803 -0.356 1
1 832 . 4 1 1 A 65 65 GLU CA C 63 59.143 59.806 -0.663 1
1 833 . 4 1 1 A 65 65 GLU CB C 63 29.708 29.335 0.373 1
1 835 . 4 1 1 A 65 65 GLU N N 63 118.310 120.084 -1.774 1
1 836 . 4 1 1 A 66 66 LYS H H 64 7.576 8.222 -0.646 1
1 837 . 4 1 1 A 66 66 LYS HA H 64 4.208 4.011 0.197 1
1 846 . 4 1 1 A 66 66 LYS C C 64 177.941 179.329 -1.388 1
1 847 . 4 1 1 A 66 66 LYS CA C 64 57.543 59.202 -1.659 1
1 848 . 4 1 1 A 66 66 LYS CB C 64 32.620 32.238 0.382 1
1 852 . 4 1 1 A 66 66 LYS N N 64 117.398 118.170 -0.772 1
1 853 . 4 1 1 A 67 67 ALA H H 65 7.934 8.135 -0.201 1
1 854 . 4 1 1 A 67 67 ALA HA H 65 4.106 3.994 0.112 1
1 858 . 4 1 1 A 67 67 ALA C C 65 178.624 178.437 0.187 1
1 859 . 4 1 1 A 67 67 ALA CA C 65 53.790 53.966 -0.176 1
1 860 . 4 1 1 A 67 67 ALA CB C 65 19.106 17.941 1.165 1
1 861 . 4 1 1 A 67 67 ALA N N 65 121.561 121.379 0.182 1
1 862 . 4 1 1 A 68 68 LEU H H 66 7.835 7.195 0.640 1
1 863 . 4 1 1 A 68 68 LEU HA H 66 4.268 4.225 0.043 1
1 873 . 4 1 1 A 68 68 LEU CA C 66 55.593 56.065 -0.472 1
1 874 . 4 1 1 A 68 68 LEU CB C 66 42.191 43.174 -0.983 1
1 877 . 4 1 1 A 68 68 LEU N N 66 117.270 115.641 1.629 1
1 878 . 4 1 1 A 69 69 ASN H H 67 7.914 7.987 -0.073 1
1 879 . 4 1 1 A 69 69 ASN HA H 67 4.731 4.428 0.303 1
1 884 . 4 1 1 A 69 69 ASN C C 67 174.039 176.393 -2.354 1
1 885 . 4 1 1 A 69 69 ASN CA C 67 53.328 55.918 -2.590 1
1 886 . 4 1 1 A 69 69 ASN CB C 67 39.091 38.517 0.574 1
1 887 . 4 1 1 A 69 69 ASN N N 67 118.309 117.888 0.421 1
1 18 . 5 1 1 A 4 4 PRO HA H 2 4.447 4.611 -0.164 1
1 25 . 5 1 1 A 4 4 PRO C C 2 176.996 176.615 0.381 1
1 26 . 5 1 1 A 4 4 PRO CA C 2 63.494 62.873 0.621 1
1 27 . 5 1 1 A 4 4 PRO CB C 2 32.161 31.767 0.394 1
1 30 . 5 1 1 A 5 5 VAL H H 3 8.292 8.574 -0.282 1
1 31 . 5 1 1 A 5 5 VAL HA H 3 4.074 4.103 -0.029 1
1 39 . 5 1 1 A 5 5 VAL C C 3 176.376 175.913 0.463 1
1 40 . 5 1 1 A 5 5 VAL CA C 3 62.495 61.904 0.591 1
1 41 . 5 1 1 A 5 5 VAL CB C 3 32.808 30.932 1.876 1
1 43 . 5 1 1 A 5 5 VAL N N 3 121.008 123.851 -2.843 1
1 44 . 5 1 1 A 6 6 SER H H 4 8.313 8.272 0.041 1
1 45 . 5 1 1 A 6 6 SER HA H 4 4.419 4.679 -0.260 1
1 48 . 5 1 1 A 6 6 SER C C 4 174.577 174.134 0.443 1
1 49 . 5 1 1 A 6 6 SER CA C 4 58.148 58.304 -0.156 1
1 50 . 5 1 1 A 6 6 SER CB C 4 63.870 65.966 -2.096 1
1 51 . 5 1 1 A 6 6 SER N N 4 119.573 121.684 -2.111 1
1 52 . 5 1 1 A 7 7 LEU H H 5 8.326 8.036 0.290 1
1 53 . 5 1 1 A 7 7 LEU HA H 5 4.342 3.898 0.444 1
1 63 . 5 1 1 A 7 7 LEU C C 5 177.341 175.217 2.124 1
1 64 . 5 1 1 A 7 7 LEU CA C 5 55.388 56.023 -0.635 1
1 65 . 5 1 1 A 7 7 LEU CB C 5 42.650 39.980 2.670 1
1 68 . 5 1 1 A 7 7 LEU N N 5 125.039 120.177 4.862 1
1 69 . 5 1 1 A 8 8 SER H H 6 8.157 7.754 0.403 1
1 70 . 5 1 1 A 8 8 SER HA H 6 4.360 5.129 -0.769 1
1 73 . 5 1 1 A 8 8 SER C C 6 174.189 172.249 1.940 1
1 74 . 5 1 1 A 8 8 SER CA C 6 58.433 57.737 0.696 1
1 75 . 5 1 1 A 8 8 SER CB C 6 63.870 66.971 -3.101 1
1 76 . 5 1 1 A 8 8 SER N N 6 116.154 113.197 2.957 1
1 77 . 5 1 1 A 9 9 TYR H H 7 8.017 8.792 -0.775 1
1 78 . 5 1 1 A 9 9 TYR HA H 7 4.512 4.915 -0.403 1
1 85 . 5 1 1 A 9 9 TYR C C 7 175.520 175.152 0.368 1
1 86 . 5 1 1 A 9 9 TYR CA C 7 58.008 57.636 0.372 1
1 87 . 5 1 1 A 9 9 TYR CB C 7 38.956 39.902 -0.946 1
1 90 . 5 1 1 A 9 9 TYR N N 7 122.213 124.481 -2.268 1
1 91 . 5 1 1 A 10 10 ARG H H 8 8.152 8.324 -0.172 1
1 92 . 5 1 1 A 10 10 ARG HA H 8 4.260 4.268 -0.008 1
1 99 . 5 1 1 A 10 10 ARG C C 8 175.918 176.134 -0.216 1
1 100 . 5 1 1 A 10 10 ARG CA C 8 56.104 57.403 -1.299 1
1 101 . 5 1 1 A 10 10 ARG CB C 8 30.875 30.629 0.246 1
1 104 . 5 1 1 A 10 10 ARG N N 8 122.182 126.562 -4.380 1
1 105 . 5 1 1 A 11 11 CYS H H 9 8.132 7.384 0.748 1
1 106 . 5 1 1 A 11 11 CYS HA H 9 4.935 4.628 0.307 1
1 109 . 5 1 1 A 11 11 CYS C C 9 173.615 172.893 0.722 1
1 110 . 5 1 1 A 11 11 CYS CA C 9 53.127 53.976 -0.849 1
1 111 . 5 1 1 A 11 11 CYS CB C 9 40.201 43.236 -3.035 1
1 112 . 5 1 1 A 11 11 CYS N N 9 121.280 117.735 3.545 1
1 113 . 5 1 1 A 12 12 PRO HA H 10 4.290 4.395 -0.105 1
1 120 . 5 1 1 A 12 12 PRO C C 10 177.703 176.697 1.006 1
1 121 . 5 1 1 A 12 12 PRO CA C 10 64.835 64.894 -0.059 1
1 122 . 5 1 1 A 12 12 PRO CB C 10 32.484 31.564 0.920 1
1 125 . 5 1 1 A 13 13 CYS H H 11 8.300 8.535 -0.235 1
1 126 . 5 1 1 A 13 13 CYS HA H 11 4.891 5.029 -0.138 1
1 129 . 5 1 1 A 13 13 CYS C C 11 174.202 173.219 0.983 1
1 130 . 5 1 1 A 13 13 CYS CA C 11 53.480 55.334 -1.854 1
1 131 . 5 1 1 A 13 13 CYS CB C 11 39.603 43.692 -4.089 1
1 132 . 5 1 1 A 13 13 CYS N N 11 114.161 116.066 -1.905 1
1 133 . 5 1 1 A 14 14 ARG HA H 12 3.963 3.934 0.029 1
1 140 . 5 1 1 A 14 14 ARG C C 12 175.202 174.848 0.354 1
1 141 . 5 1 1 A 14 14 ARG CA C 12 57.293 56.879 0.414 1
1 142 . 5 1 1 A 14 14 ARG CB C 12 31.099 31.064 0.035 1
1 145 . 5 1 1 A 15 15 PHE H H 13 7.543 7.698 -0.155 1
1 146 . 5 1 1 A 15 15 PHE HA H 13 4.496 4.930 -0.434 1
1 154 . 5 1 1 A 15 15 PHE C C 13 174.226 174.636 -0.410 1
1 155 . 5 1 1 A 15 15 PHE CA C 13 55.971 56.054 -0.083 1
1 156 . 5 1 1 A 15 15 PHE CB C 13 41.032 41.520 -0.488 1
1 160 . 5 1 1 A 15 15 PHE N N 13 116.175 116.540 -0.365 1
1 161 . 5 1 1 A 16 16 PHE H H 14 8.305 9.100 -0.795 1
1 162 . 5 1 1 A 16 16 PHE HA H 14 4.812 5.013 -0.201 1
1 170 . 5 1 1 A 16 16 PHE C C 14 175.247 176.180 -0.933 1
1 171 . 5 1 1 A 16 16 PHE CA C 14 55.559 56.481 -0.922 1
1 172 . 5 1 1 A 16 16 PHE CB C 14 41.220 42.472 -1.252 1
1 176 . 5 1 1 A 16 16 PHE N N 14 119.656 120.397 -0.741 1
1 177 . 5 1 1 A 17 17 GLU H H 15 8.879 9.397 -0.518 1
1 178 . 5 1 1 A 17 17 GLU HA H 15 4.536 4.072 0.464 1
1 183 . 5 1 1 A 17 17 GLU C C 15 176.747 176.686 0.061 1
1 184 . 5 1 1 A 17 17 GLU CA C 15 56.012 59.381 -3.369 1
1 185 . 5 1 1 A 17 17 GLU CB C 15 30.876 29.280 1.596 1
1 187 . 5 1 1 A 17 17 GLU N N 15 122.563 124.457 -1.894 1
1 188 . 5 1 1 A 18 18 SER H H 16 8.810 8.314 0.496 1
1 189 . 5 1 1 A 18 18 SER HA H 16 4.673 4.197 0.476 1
1 192 . 5 1 1 A 18 18 SER C C 16 174.278 174.581 -0.303 1
1 193 . 5 1 1 A 18 18 SER CA C 16 59.799 59.666 0.133 1
1 194 . 5 1 1 A 18 18 SER CB C 16 63.999 61.138 2.861 1
1 195 . 5 1 1 A 18 18 SER N N 16 119.679 114.244 5.435 1
1 196 . 5 1 1 A 19 19 HIS H H 17 8.712 8.089 0.623 1
1 197 . 5 1 1 A 19 19 HIS HA H 17 4.777 4.842 -0.065 1
1 202 . 5 1 1 A 19 19 HIS C C 17 174.580 174.692 -0.112 1
1 203 . 5 1 1 A 19 19 HIS CA C 17 56.240 54.913 1.327 1
1 204 . 5 1 1 A 19 19 HIS CB C 17 29.896 29.369 0.527 1
1 207 . 5 1 1 A 19 19 HIS N N 17 120.269 119.323 0.946 1
1 208 . 5 1 1 A 20 20 VAL H H 18 7.145 7.741 -0.596 1
1 209 . 5 1 1 A 20 20 VAL HA H 18 4.132 4.127 0.005 1
1 217 . 5 1 1 A 20 20 VAL C C 18 174.138 175.390 -1.252 1
1 218 . 5 1 1 A 20 20 VAL CA C 18 61.605 61.782 -0.177 1
1 219 . 5 1 1 A 20 20 VAL CB C 18 34.102 33.085 1.017 1
1 221 . 5 1 1 A 20 20 VAL N N 18 120.100 120.111 -0.011 1
1 222 . 5 1 1 A 21 21 ALA H H 19 8.554 8.293 0.261 1
1 223 . 5 1 1 A 21 21 ALA HA H 19 4.353 4.395 -0.042 1
1 227 . 5 1 1 A 21 21 ALA C C 19 177.514 177.663 -0.149 1
1 228 . 5 1 1 A 21 21 ALA CA C 19 50.666 49.901 0.765 1
1 229 . 5 1 1 A 21 21 ALA CB C 19 19.648 21.418 -1.770 1
1 230 . 5 1 1 A 21 21 ALA N N 19 131.180 128.811 2.369 1
1 231 . 5 1 1 A 22 22 ARG H H 20 7.813 8.142 -0.329 1
1 232 . 5 1 1 A 22 22 ARG HA H 20 2.621 2.780 -0.159 1
1 239 . 5 1 1 A 22 22 ARG C C 20 178.531 177.169 1.362 1
1 240 . 5 1 1 A 22 22 ARG CA C 20 59.155 57.660 1.495 1
1 241 . 5 1 1 A 22 22 ARG CB C 20 29.167 29.563 -0.396 1
1 244 . 5 1 1 A 22 22 ARG N N 20 124.436 119.599 4.837 1
1 245 . 5 1 1 A 23 23 ALA H H 21 8.191 7.637 0.554 1
1 246 . 5 1 1 A 23 23 ALA HA H 21 4.023 4.181 -0.158 1
1 250 . 5 1 1 A 23 23 ALA C C 21 177.743 180.114 -2.371 1
1 251 . 5 1 1 A 23 23 ALA CA C 21 53.809 54.321 -0.512 1
1 252 . 5 1 1 A 23 23 ALA CB C 21 18.712 18.712 0.000 1
1 253 . 5 1 1 A 23 23 ALA N N 21 117.354 121.946 -4.592 1
1 254 . 5 1 1 A 24 24 ASN H H 22 7.738 7.865 -0.127 1
1 255 . 5 1 1 A 24 24 ASN HA H 22 4.928 4.673 0.255 1
1 260 . 5 1 1 A 24 24 ASN C C 22 174.889 175.106 -0.217 1
1 261 . 5 1 1 A 24 24 ASN CA C 22 52.590 53.686 -1.096 1
1 262 . 5 1 1 A 24 24 ASN CB C 22 40.335 38.682 1.653 1
1 263 . 5 1 1 A 24 24 ASN N N 22 112.797 116.223 -3.426 1
1 265 . 5 1 1 A 25 25 VAL H H 23 7.438 7.272 0.166 1
1 266 . 5 1 1 A 25 25 VAL HA H 23 4.349 4.319 0.030 1
1 274 . 5 1 1 A 25 25 VAL C C 23 174.594 175.595 -1.001 1
1 275 . 5 1 1 A 25 25 VAL CA C 23 62.406 61.801 0.605 1
1 276 . 5 1 1 A 25 25 VAL CB C 23 33.445 32.146 1.299 1
1 278 . 5 1 1 A 25 25 VAL N N 23 118.653 119.608 -0.955 1
1 279 . 5 1 1 A 26 26 LYS H H 24 9.262 9.478 -0.216 1
1 280 . 5 1 1 A 26 26 LYS HA H 24 4.394 4.215 0.179 1
1 289 . 5 1 1 A 26 26 LYS C C 24 175.247 175.617 -0.370 1
1 290 . 5 1 1 A 26 26 LYS CA C 24 56.483 58.392 -1.909 1
1 291 . 5 1 1 A 26 26 LYS CB C 24 35.022 33.727 1.295 1
1 295 . 5 1 1 A 26 26 LYS N N 24 125.308 130.062 -4.754 1
1 296 . 5 1 1 A 27 27 HIS H H 25 7.749 7.834 -0.085 1
1 297 . 5 1 1 A 27 27 HIS HA H 25 4.625 4.973 -0.348 1
1 302 . 5 1 1 A 27 27 HIS C C 25 173.157 173.032 0.125 1
1 303 . 5 1 1 A 27 27 HIS CA C 25 55.916 55.050 0.866 1
1 304 . 5 1 1 A 27 27 HIS CB C 25 32.808 33.340 -0.532 1
1 307 . 5 1 1 A 27 27 HIS N N 25 115.509 117.395 -1.886 1
1 308 . 5 1 1 A 28 28 LEU H H 26 8.117 8.519 -0.402 1
1 309 . 5 1 1 A 28 28 LEU HA H 26 4.990 5.229 -0.239 1
1 319 . 5 1 1 A 28 28 LEU C C 26 175.514 174.824 0.690 1
1 320 . 5 1 1 A 28 28 LEU CA C 26 54.662 55.155 -0.493 1
1 321 . 5 1 1 A 28 28 LEU CB C 26 45.594 44.044 1.550 1
1 325 . 5 1 1 A 29 29 LYS H H 27 9.028 9.489 -0.461 1
1 326 . 5 1 1 A 29 29 LYS HA H 27 4.585 5.101 -0.516 1
1 335 . 5 1 1 A 29 29 LYS C C 27 173.758 174.832 -1.074 1
1 336 . 5 1 1 A 29 29 LYS CA C 27 54.945 54.686 0.259 1
1 337 . 5 1 1 A 29 29 LYS CB C 27 36.358 35.841 0.517 1
1 341 . 5 1 1 A 29 29 LYS N N 27 122.904 126.794 -3.890 1
1 342 . 5 1 1 A 30 30 ILE H H 28 8.540 9.007 -0.467 1
1 343 . 5 1 1 A 30 30 ILE HA H 28 4.626 4.727 -0.101 1
1 353 . 5 1 1 A 30 30 ILE C C 28 175.988 174.504 1.484 1
1 354 . 5 1 1 A 30 30 ILE CA C 28 60.122 59.831 0.291 1
1 355 . 5 1 1 A 30 30 ILE CB C 28 38.795 38.506 0.289 1
1 359 . 5 1 1 A 30 30 ILE N N 28 123.517 127.514 -3.997 1
1 360 . 5 1 1 A 31 31 LEU H H 29 8.961 9.226 -0.265 1
1 361 . 5 1 1 A 31 31 LEU HA H 29 4.564 5.141 -0.577 1
1 371 . 5 1 1 A 31 31 LEU C C 29 176.005 174.634 1.371 1
1 372 . 5 1 1 A 31 31 LEU CA C 29 53.975 53.692 0.283 1
1 373 . 5 1 1 A 31 31 LEU CB C 29 43.485 44.780 -1.295 1
1 376 . 5 1 1 A 31 31 LEU N N 29 128.881 130.054 -1.173 1
1 377 . 5 1 1 A 32 32 ASN H H 30 8.763 8.906 -0.143 1
1 378 . 5 1 1 A 32 32 ASN HA H 30 4.991 5.532 -0.541 1
1 383 . 5 1 1 A 32 32 ASN C C 30 174.462 173.701 0.761 1
1 384 . 5 1 1 A 32 32 ASN CA C 30 52.413 51.826 0.587 1
1 385 . 5 1 1 A 32 32 ASN CB C 30 39.238 42.681 -3.443 1
1 386 . 5 1 1 A 32 32 ASN N N 30 124.019 126.201 -2.182 1
1 388 . 5 1 1 A 33 33 THR H H 31 8.170 8.306 -0.136 1
1 389 . 5 1 1 A 33 33 THR HA H 31 4.628 4.889 -0.261 1
1 394 . 5 1 1 A 33 33 THR CA C 31 59.475 59.083 0.392 1
1 395 . 5 1 1 A 33 33 THR CB C 31 70.435 70.987 -0.552 1
1 397 . 5 1 1 A 33 33 THR N N 31 119.276 119.152 0.124 1
1 398 . 5 1 1 A 34 34 PRO HA H 32 4.223 4.284 -0.061 1
1 405 . 5 1 1 A 34 34 PRO C C 32 176.814 177.833 -1.019 1
1 406 . 5 1 1 A 34 34 PRO CA C 32 64.445 65.773 -1.328 1
1 407 . 5 1 1 A 34 34 PRO CB C 32 32.161 31.859 0.302 1
1 410 . 5 1 1 A 35 35 ASN H H 33 8.574 8.438 0.136 1
1 411 . 5 1 1 A 35 35 ASN HA H 33 4.320 4.478 -0.158 1
1 416 . 5 1 1 A 35 35 ASN C C 33 174.344 175.720 -1.376 1
1 417 . 5 1 1 A 35 35 ASN CA C 33 54.945 54.927 0.018 1
1 418 . 5 1 1 A 35 35 ASN CB C 33 38.122 37.515 0.607 1
1 419 . 5 1 1 A 35 35 ASN N N 33 113.042 114.152 -1.110 1
1 421 . 5 1 1 A 36 36 CYS H H 34 7.554 7.974 -0.420 1
1 422 . 5 1 1 A 36 36 CYS HA H 34 4.891 4.718 0.173 1
1 425 . 5 1 1 A 36 36 CYS C C 34 173.880 173.529 0.351 1
1 426 . 5 1 1 A 36 36 CYS CA C 34 54.622 57.345 -2.723 1
1 427 . 5 1 1 A 36 36 CYS CB C 34 44.780 43.646 1.134 1
1 428 . 5 1 1 A 36 36 CYS N N 34 116.301 116.011 0.290 1
1 429 . 5 1 1 A 37 37 ALA H H 35 8.418 7.225 1.193 1
1 430 . 5 1 1 A 37 37 ALA HA H 35 4.237 4.445 -0.208 1
1 434 . 5 1 1 A 37 37 ALA C C 35 176.677 175.498 1.179 1
1 435 . 5 1 1 A 37 37 ALA CA C 35 52.413 51.528 0.885 1
1 436 . 5 1 1 A 37 37 ALA CB C 35 18.992 21.780 -2.788 1
1 437 . 5 1 1 A 37 37 ALA N N 35 125.001 117.323 7.678 1
1 438 . 5 1 1 A 38 38 LEU H H 36 8.060 8.502 -0.442 1
1 439 . 5 1 1 A 38 38 LEU HA H 36 4.203 4.464 -0.261 1
1 449 . 5 1 1 A 38 38 LEU C C 36 176.194 176.166 0.028 1
1 450 . 5 1 1 A 38 38 LEU CA C 36 56.563 55.162 1.401 1
1 451 . 5 1 1 A 38 38 LEU CB C 36 42.488 42.477 0.011 1
1 455 . 5 1 1 A 38 38 LEU N N 36 121.548 119.627 1.921 1
1 456 . 5 1 1 A 39 39 GLN H H 37 8.434 8.881 -0.447 1
1 457 . 5 1 1 A 39 39 GLN HA H 37 4.623 5.110 -0.487 1
1 464 . 5 1 1 A 39 39 GLN C C 37 173.581 174.764 -1.183 1
1 465 . 5 1 1 A 39 39 GLN CA C 37 54.109 54.469 -0.360 1
1 466 . 5 1 1 A 39 39 GLN CB C 37 32.286 31.003 1.283 1
1 468 . 5 1 1 A 39 39 GLN N N 37 123.271 121.895 1.376 1
1 470 . 5 1 1 A 40 40 ILE H H 38 9.408 8.551 0.857 1
1 471 . 5 1 1 A 40 40 ILE HA H 38 4.735 4.856 -0.121 1
1 481 . 5 1 1 A 40 40 ILE C C 38 174.547 175.413 -0.866 1
1 482 . 5 1 1 A 40 40 ILE CA C 38 60.122 60.387 -0.265 1
1 483 . 5 1 1 A 40 40 ILE CB C 38 38.899 39.904 -1.005 1
1 487 . 5 1 1 A 40 40 ILE N N 38 124.702 126.094 -1.392 1
1 488 . 5 1 1 A 41 41 VAL H H 39 8.826 9.436 -0.610 1
1 489 . 5 1 1 A 41 41 VAL HA H 39 5.041 4.810 0.231 1
1 497 . 5 1 1 A 41 41 VAL C C 39 174.772 175.121 -0.349 1
1 498 . 5 1 1 A 41 41 VAL CA C 39 60.111 61.496 -1.385 1
1 499 . 5 1 1 A 41 41 VAL CB C 39 34.767 33.582 1.185 1
1 501 . 5 1 1 A 41 41 VAL N N 39 124.047 127.854 -3.807 1
1 502 . 5 1 1 A 42 42 ALA H H 40 9.299 9.223 0.076 1
1 503 . 5 1 1 A 42 42 ALA HA H 40 5.276 6.151 -0.875 1
1 507 . 5 1 1 A 42 42 ALA C C 40 175.955 175.022 0.933 1
1 508 . 5 1 1 A 42 42 ALA CA C 40 50.093 50.381 -0.288 1
1 509 . 5 1 1 A 42 42 ALA CB C 40 23.800 23.773 0.027 1
1 510 . 5 1 1 A 42 42 ALA N N 40 126.567 129.093 -2.526 1
1 511 . 5 1 1 A 43 43 ARG H H 41 8.398 8.704 -0.306 1
1 512 . 5 1 1 A 43 43 ARG HA H 41 5.131 5.266 -0.135 1
1 519 . 5 1 1 A 43 43 ARG C C 41 176.184 175.719 0.465 1
1 520 . 5 1 1 A 43 43 ARG CA C 41 53.900 54.464 -0.564 1
1 521 . 5 1 1 A 43 43 ARG CB C 41 32.161 33.632 -1.471 1
1 524 . 5 1 1 A 43 43 ARG N N 41 118.991 121.904 -2.913 1
1 525 . 5 1 1 A 44 44 LEU H H 42 8.988 9.260 -0.272 1
1 526 . 5 1 1 A 44 44 LEU HA H 42 4.925 4.661 0.264 1
1 536 . 5 1 1 A 44 44 LEU C C 42 178.369 176.586 1.783 1
1 537 . 5 1 1 A 44 44 LEU CA C 42 54.329 54.957 -0.628 1
1 538 . 5 1 1 A 44 44 LEU CB C 42 41.497 42.238 -0.741 1
1 542 . 5 1 1 A 44 44 LEU N N 42 125.637 127.568 -1.931 1
1 543 . 5 1 1 A 45 45 LYS H H 43 8.470 9.346 -0.876 1
1 544 . 5 1 1 A 45 45 LYS HA H 43 3.823 4.169 -0.346 1
1 553 . 5 1 1 A 45 45 LYS CA C 43 59.340 58.533 0.807 1
1 554 . 5 1 1 A 45 45 LYS CB C 43 33.445 32.783 0.662 1
1 558 . 5 1 1 A 45 45 LYS N N 43 120.489 122.302 -1.813 1
1 559 . 5 1 1 A 46 46 ASN HA H 44 4.421 4.463 -0.042 1
1 564 . 5 1 1 A 46 46 ASN C C 44 175.970 177.027 -1.057 1
1 565 . 5 1 1 A 46 46 ASN CA C 44 55.457 56.419 -0.962 1
1 566 . 5 1 1 A 46 46 ASN CB C 44 37.507 38.975 -1.468 1
1 568 . 5 1 1 A 47 47 ASN H H 45 7.483 8.018 -0.535 1
1 569 . 5 1 1 A 47 47 ASN HA H 45 4.706 4.779 -0.073 1
1 574 . 5 1 1 A 47 47 ASN C C 45 175.461 174.750 0.711 1
1 575 . 5 1 1 A 47 47 ASN CA C 45 52.769 52.931 -0.162 1
1 576 . 5 1 1 A 47 47 ASN CB C 45 39.194 39.120 0.074 1
1 577 . 5 1 1 A 47 47 ASN N N 45 115.277 114.095 1.182 1
1 579 . 5 1 1 A 48 48 ASN H H 46 7.995 7.994 0.001 1
1 580 . 5 1 1 A 48 48 ASN HA H 46 4.661 4.834 -0.173 1
1 585 . 5 1 1 A 48 48 ASN C C 46 174.812 173.945 0.867 1
1 586 . 5 1 1 A 48 48 ASN CA C 46 54.298 54.872 -0.574 1
1 587 . 5 1 1 A 48 48 ASN CB C 46 39.103 37.079 2.024 1
1 588 . 5 1 1 A 48 48 ASN N N 46 116.416 115.359 1.057 1
1 590 . 5 1 1 A 49 49 ARG H H 47 7.940 7.815 0.125 1
1 591 . 5 1 1 A 49 49 ARG HA H 47 4.205 4.501 -0.296 1
1 598 . 5 1 1 A 49 49 ARG C C 47 175.719 175.122 0.597 1
1 599 . 5 1 1 A 49 49 ARG CA C 47 57.084 55.966 1.118 1
1 600 . 5 1 1 A 49 49 ARG CB C 47 31.792 31.091 0.701 1
1 603 . 5 1 1 A 49 49 ARG N N 47 120.017 118.149 1.868 1
1 604 . 5 1 1 A 50 50 GLN H H 48 8.641 8.637 0.004 1
1 605 . 5 1 1 A 50 50 GLN HA H 48 5.240 4.868 0.372 1
1 612 . 5 1 1 A 50 50 GLN C C 48 175.697 175.850 -0.153 1
1 613 . 5 1 1 A 50 50 GLN CA C 48 55.454 55.363 0.091 1
1 614 . 5 1 1 A 50 50 GLN CB C 48 30.959 29.930 1.029 1
1 616 . 5 1 1 A 50 50 GLN N N 48 123.029 123.282 -0.253 1
1 618 . 5 1 1 A 51 51 VAL H H 49 9.018 9.626 -0.608 1
1 619 . 5 1 1 A 51 51 VAL HA H 49 4.745 4.987 -0.242 1
1 627 . 5 1 1 A 51 51 VAL C C 49 174.561 174.623 -0.062 1
1 628 . 5 1 1 A 51 51 VAL CA C 49 59.266 58.926 0.340 1
1 629 . 5 1 1 A 51 51 VAL CB C 49 35.845 35.816 0.029 1
1 632 . 5 1 1 A 51 51 VAL N N 49 119.358 119.030 0.328 1
1 633 . 5 1 1 A 52 52 CYS H H 50 8.895 9.027 -0.132 1
1 634 . 5 1 1 A 52 52 CYS HA H 50 5.636 5.496 0.140 1
1 637 . 5 1 1 A 52 52 CYS C C 50 174.469 172.979 1.490 1
1 638 . 5 1 1 A 52 52 CYS CA C 50 56.377 54.510 1.867 1
1 639 . 5 1 1 A 52 52 CYS CB C 50 44.680 45.213 -0.533 1
1 640 . 5 1 1 A 52 52 CYS N N 50 120.834 118.777 2.057 1
1 641 . 5 1 1 A 53 53 ILE H H 51 8.615 9.577 -0.962 1
1 642 . 5 1 1 A 53 53 ILE HA H 51 4.512 4.574 -0.062 1
1 652 . 5 1 1 A 53 53 ILE C C 51 174.137 174.531 -0.394 1
1 653 . 5 1 1 A 53 53 ILE CA C 51 59.397 60.520 -1.123 1
1 654 . 5 1 1 A 53 53 ILE CB C 51 39.603 39.945 -0.342 1
1 658 . 5 1 1 A 53 53 ILE N N 51 122.392 125.128 -2.736 1
1 659 . 5 1 1 A 54 54 ASP H H 52 7.766 8.204 -0.438 1
1 660 . 5 1 1 A 54 54 ASP HA H 52 3.572 3.260 0.312 1
1 663 . 5 1 1 A 54 54 ASP CA C 52 51.578 51.054 0.524 1
1 664 . 5 1 1 A 54 54 ASP CB C 52 42.381 41.517 0.864 1
1 665 . 5 1 1 A 54 54 ASP N N 52 126.398 127.036 -0.638 1
1 666 . 5 1 1 A 55 55 PRO HA H 53 4.011 4.208 -0.197 1
1 673 . 5 1 1 A 55 55 PRO C C 53 176.274 177.468 -1.194 1
1 674 . 5 1 1 A 55 55 PRO CA C 53 63.546 63.949 -0.403 1
1 675 . 5 1 1 A 55 55 PRO CB C 53 32.270 31.622 0.648 1
1 678 . 5 1 1 A 56 56 LYS H H 54 8.053 7.847 0.206 1
1 679 . 5 1 1 A 56 56 LYS HA H 54 3.982 4.183 -0.201 1
1 688 . 5 1 1 A 56 56 LYS C C 54 177.867 176.685 1.182 1
1 689 . 5 1 1 A 56 56 LYS CA C 54 56.189 56.934 -0.745 1
1 690 . 5 1 1 A 56 56 LYS CB C 54 31.649 32.504 -0.855 1
1 694 . 5 1 1 A 56 56 LYS N N 54 115.161 116.683 -1.522 1
1 695 . 5 1 1 A 57 57 LEU H H 55 7.145 7.093 0.052 1
1 696 . 5 1 1 A 57 57 LEU HA H 55 4.027 4.091 -0.064 1
1 706 . 5 1 1 A 57 57 LEU C C 55 179.221 177.489 1.732 1
1 707 . 5 1 1 A 57 57 LEU CA C 55 14.371 55.313 -40.942 1
1 708 . 5 1 1 A 57 57 LEU CB C 55 41.739 41.795 -0.056 1
1 712 . 5 1 1 A 57 57 LEU N N 55 120.921 121.531 -0.610 1
1 713 . 5 1 1 A 58 58 LYS H H 56 8.798 8.835 -0.037 1
1 714 . 5 1 1 A 58 58 LYS HA H 56 3.937 4.432 -0.495 1
1 723 . 5 1 1 A 58 58 LYS C C 56 179.161 178.609 0.552 1
1 724 . 5 1 1 A 58 58 LYS CA C 56 60.116 59.324 0.792 1
1 725 . 5 1 1 A 58 58 LYS CB C 56 32.100 31.999 0.101 1
1 729 . 5 1 1 A 58 58 LYS N N 56 125.449 121.679 3.770 1
1 730 . 5 1 1 A 59 59 TRP H H 57 7.821 8.218 -0.397 1
1 731 . 5 1 1 A 59 59 TRP HA H 57 4.636 4.592 0.044 1
1 740 . 5 1 1 A 59 59 TRP C C 57 178.642 178.555 0.087 1
1 741 . 5 1 1 A 59 59 TRP CA C 57 58.388 59.376 -0.988 1
1 742 . 5 1 1 A 59 59 TRP CB C 57 27.954 27.655 0.299 1
1 748 . 5 1 1 A 59 59 TRP N N 57 113.650 119.649 -5.999 1
1 750 . 5 1 1 A 60 60 ILE H H 58 6.340 7.429 -1.089 1
1 751 . 5 1 1 A 60 60 ILE HA H 58 3.620 3.350 0.270 1
1 761 . 5 1 1 A 60 60 ILE C C 58 177.104 177.664 -0.560 1
1 762 . 5 1 1 A 60 60 ILE CA C 58 61.605 64.144 -2.539 1
1 763 . 5 1 1 A 60 60 ILE CB C 58 36.043 36.279 -0.236 1
1 767 . 5 1 1 A 60 60 ILE N N 58 123.265 121.893 1.372 1
1 768 . 5 1 1 A 61 61 GLN H H 59 7.710 8.000 -0.290 1
1 769 . 5 1 1 A 61 61 GLN HA H 59 3.824 3.948 -0.124 1
1 776 . 5 1 1 A 61 61 GLN C C 59 178.933 178.663 0.270 1
1 777 . 5 1 1 A 61 61 GLN CA C 59 59.663 59.066 0.597 1
1 778 . 5 1 1 A 61 61 GLN CB C 59 27.972 28.035 -0.063 1
1 780 . 5 1 1 A 61 61 GLN N N 59 120.515 120.059 0.456 1
1 782 . 5 1 1 A 62 62 GLU H H 60 8.042 8.144 -0.102 1
1 783 . 5 1 1 A 62 62 GLU HA H 60 4.093 4.073 0.020 1
1 788 . 5 1 1 A 62 62 GLU C C 60 178.539 178.543 -0.004 1
1 789 . 5 1 1 A 62 62 GLU CA C 60 59.152 59.558 -0.406 1
1 790 . 5 1 1 A 62 62 GLU CB C 60 29.896 29.558 0.338 1
1 792 . 5 1 1 A 62 62 GLU N N 60 117.976 120.291 -2.315 1
1 793 . 5 1 1 A 63 63 TYR H H 61 7.882 7.763 0.119 1
1 794 . 5 1 1 A 63 63 TYR HA H 61 4.214 4.253 -0.039 1
1 801 . 5 1 1 A 63 63 TYR C C 61 178.157 177.585 0.572 1
1 802 . 5 1 1 A 63 63 TYR CA C 61 61.281 61.414 -0.133 1
1 803 . 5 1 1 A 63 63 TYR CB C 61 38.956 38.916 0.040 1
1 806 . 5 1 1 A 63 63 TYR N N 61 120.743 120.771 -0.028 1
1 807 . 5 1 1 A 64 64 LEU H H 62 8.438 9.021 -0.583 1
1 808 . 5 1 1 A 64 64 LEU HA H 62 3.886 3.581 0.305 1
1 818 . 5 1 1 A 64 64 LEU C C 62 178.678 179.077 -0.399 1
1 819 . 5 1 1 A 64 64 LEU CA C 62 57.619 58.142 -0.523 1
1 820 . 5 1 1 A 64 64 LEU CB C 62 41.868 41.574 0.294 1
1 824 . 5 1 1 A 64 64 LEU N N 62 119.052 119.946 -0.894 1
1 825 . 5 1 1 A 65 65 GLU H H 63 7.884 8.784 -0.900 1
1 826 . 5 1 1 A 65 65 GLU HA H 63 3.998 4.022 -0.024 1
1 831 . 5 1 1 A 65 65 GLU C C 63 178.447 177.481 0.966 1
1 832 . 5 1 1 A 65 65 GLU CA C 63 59.143 58.464 0.679 1
1 833 . 5 1 1 A 65 65 GLU CB C 63 29.708 28.447 1.261 1
1 835 . 5 1 1 A 65 65 GLU N N 63 118.310 117.656 0.654 1
1 836 . 5 1 1 A 66 66 LYS H H 64 7.576 7.705 -0.129 1
1 837 . 5 1 1 A 66 66 LYS HA H 64 4.208 4.262 -0.054 1
1 846 . 5 1 1 A 66 66 LYS C C 64 177.941 177.017 0.924 1
1 847 . 5 1 1 A 66 66 LYS CA C 64 57.543 56.435 1.108 1
1 848 . 5 1 1 A 66 66 LYS CB C 64 32.620 32.446 0.174 1
1 852 . 5 1 1 A 66 66 LYS N N 64 117.398 118.222 -0.824 1
1 853 . 5 1 1 A 67 67 ALA H H 65 7.934 7.517 0.417 1
1 854 . 5 1 1 A 67 67 ALA HA H 65 4.106 4.283 -0.177 1
1 858 . 5 1 1 A 67 67 ALA C C 65 178.624 178.751 -0.127 1
1 859 . 5 1 1 A 67 67 ALA CA C 65 53.790 52.901 0.889 1
1 860 . 5 1 1 A 67 67 ALA CB C 65 19.106 19.877 -0.771 1
1 861 . 5 1 1 A 67 67 ALA N N 65 121.561 120.786 0.775 1
1 862 . 5 1 1 A 68 68 LEU H H 66 7.835 8.367 -0.532 1
1 863 . 5 1 1 A 68 68 LEU HA H 66 4.268 3.958 0.310 1
1 873 . 5 1 1 A 68 68 LEU CA C 66 55.593 57.954 -2.361 1
1 874 . 5 1 1 A 68 68 LEU CB C 66 42.191 41.641 0.550 1
1 877 . 5 1 1 A 68 68 LEU N N 66 117.270 119.974 -2.704 1
1 878 . 5 1 1 A 69 69 ASN H H 67 7.914 7.484 0.430 1
1 879 . 5 1 1 A 69 69 ASN HA H 67 4.731 4.355 0.376 1
1 884 . 5 1 1 A 69 69 ASN C C 67 174.039 175.255 -1.216 1
1 885 . 5 1 1 A 69 69 ASN CA C 67 53.328 56.472 -3.144 1
1 886 . 5 1 1 A 69 69 ASN CB C 67 39.091 38.339 0.752 1
1 887 . 5 1 1 A 69 69 ASN N N 67 118.309 116.860 1.449 1
1 18 . 6 1 1 A 4 4 PRO HA H 2 4.447 4.571 -0.124 1
1 25 . 6 1 1 A 4 4 PRO C C 2 176.996 176.152 0.844 1
1 26 . 6 1 1 A 4 4 PRO CA C 2 63.494 63.821 -0.327 1
1 27 . 6 1 1 A 4 4 PRO CB C 2 32.161 32.540 -0.379 1
1 30 . 6 1 1 A 5 5 VAL H H 3 8.292 7.680 0.612 1
1 31 . 6 1 1 A 5 5 VAL HA H 3 4.074 4.209 -0.135 1
1 39 . 6 1 1 A 5 5 VAL C C 3 176.376 174.754 1.622 1
1 40 . 6 1 1 A 5 5 VAL CA C 3 62.495 61.557 0.938 1
1 41 . 6 1 1 A 5 5 VAL CB C 3 32.808 33.019 -0.211 1
1 43 . 6 1 1 A 5 5 VAL N N 3 121.008 121.786 -0.778 1
1 44 . 6 1 1 A 6 6 SER H H 4 8.313 8.789 -0.476 1
1 45 . 6 1 1 A 6 6 SER HA H 4 4.419 4.597 -0.178 1
1 48 . 6 1 1 A 6 6 SER C C 4 174.577 174.413 0.164 1
1 49 . 6 1 1 A 6 6 SER CA C 4 58.148 56.548 1.600 1
1 50 . 6 1 1 A 6 6 SER CB C 4 63.870 62.632 1.238 1
1 51 . 6 1 1 A 6 6 SER N N 4 119.573 122.451 -2.878 1
1 52 . 6 1 1 A 7 7 LEU H H 5 8.326 8.406 -0.080 1
1 53 . 6 1 1 A 7 7 LEU HA H 5 4.342 4.180 0.162 1
1 63 . 6 1 1 A 7 7 LEU C C 5 177.341 177.000 0.341 1
1 64 . 6 1 1 A 7 7 LEU CA C 5 55.388 57.988 -2.600 1
1 65 . 6 1 1 A 7 7 LEU CB C 5 42.650 41.861 0.789 1
1 68 . 6 1 1 A 7 7 LEU N N 5 125.039 129.920 -4.881 1
1 69 . 6 1 1 A 8 8 SER H H 6 8.157 8.226 -0.069 1
1 70 . 6 1 1 A 8 8 SER HA H 6 4.360 4.640 -0.280 1
1 73 . 6 1 1 A 8 8 SER C C 6 174.189 173.619 0.570 1
1 74 . 6 1 1 A 8 8 SER CA C 6 58.433 58.248 0.185 1
1 75 . 6 1 1 A 8 8 SER CB C 6 63.870 62.268 1.602 1
1 76 . 6 1 1 A 8 8 SER N N 6 116.154 114.428 1.726 1
1 77 . 6 1 1 A 9 9 TYR H H 7 8.017 8.924 -0.907 1
1 78 . 6 1 1 A 9 9 TYR HA H 7 4.512 4.704 -0.192 1
1 85 . 6 1 1 A 9 9 TYR C C 7 175.520 176.140 -0.620 1
1 86 . 6 1 1 A 9 9 TYR CA C 7 58.008 58.729 -0.721 1
1 87 . 6 1 1 A 9 9 TYR CB C 7 38.956 39.033 -0.077 1
1 90 . 6 1 1 A 9 9 TYR N N 7 122.213 128.181 -5.968 1
1 91 . 6 1 1 A 10 10 ARG H H 8 8.152 8.726 -0.574 1
1 92 . 6 1 1 A 10 10 ARG HA H 8 4.260 3.913 0.347 1
1 99 . 6 1 1 A 10 10 ARG C C 8 175.918 175.129 0.789 1
1 100 . 6 1 1 A 10 10 ARG CA C 8 56.104 59.065 -2.961 1
1 101 . 6 1 1 A 10 10 ARG CB C 8 30.875 30.511 0.364 1
1 104 . 6 1 1 A 10 10 ARG N N 8 122.182 126.091 -3.909 1
1 105 . 6 1 1 A 11 11 CYS H H 9 8.132 7.487 0.645 1
1 106 . 6 1 1 A 11 11 CYS HA H 9 4.935 4.912 0.023 1
1 109 . 6 1 1 A 11 11 CYS C C 9 173.615 173.401 0.214 1
1 110 . 6 1 1 A 11 11 CYS CA C 9 53.127 53.873 -0.746 1
1 111 . 6 1 1 A 11 11 CYS CB C 9 40.201 44.956 -4.755 1
1 112 . 6 1 1 A 11 11 CYS N N 9 121.280 114.128 7.152 1
1 113 . 6 1 1 A 12 12 PRO HA H 10 4.290 4.421 -0.131 1
1 120 . 6 1 1 A 12 12 PRO C C 10 177.703 177.146 0.557 1
1 121 . 6 1 1 A 12 12 PRO CA C 10 64.835 65.447 -0.612 1
1 122 . 6 1 1 A 12 12 PRO CB C 10 32.484 31.459 1.025 1
1 125 . 6 1 1 A 13 13 CYS H H 11 8.300 7.989 0.311 1
1 126 . 6 1 1 A 13 13 CYS HA H 11 4.891 5.045 -0.154 1
1 129 . 6 1 1 A 13 13 CYS C C 11 174.202 173.673 0.529 1
1 130 . 6 1 1 A 13 13 CYS CA C 11 53.480 55.518 -2.038 1
1 131 . 6 1 1 A 13 13 CYS CB C 11 39.603 44.788 -5.185 1
1 132 . 6 1 1 A 13 13 CYS N N 11 114.161 115.388 -1.227 1
1 133 . 6 1 1 A 14 14 ARG HA H 12 3.963 3.904 0.059 1
1 140 . 6 1 1 A 14 14 ARG C C 12 175.202 174.924 0.278 1
1 141 . 6 1 1 A 14 14 ARG CA C 12 57.293 57.196 0.097 1
1 142 . 6 1 1 A 14 14 ARG CB C 12 31.099 31.033 0.066 1
1 145 . 6 1 1 A 15 15 PHE H H 13 7.543 7.547 -0.004 1
1 146 . 6 1 1 A 15 15 PHE HA H 13 4.496 4.969 -0.473 1
1 154 . 6 1 1 A 15 15 PHE C C 13 174.226 174.395 -0.169 1
1 155 . 6 1 1 A 15 15 PHE CA C 13 55.971 55.974 -0.003 1
1 156 . 6 1 1 A 15 15 PHE CB C 13 41.032 42.490 -1.458 1
1 160 . 6 1 1 A 15 15 PHE N N 13 116.175 115.206 0.969 1
1 161 . 6 1 1 A 16 16 PHE H H 14 8.305 8.761 -0.456 1
1 162 . 6 1 1 A 16 16 PHE HA H 14 4.812 4.990 -0.178 1
1 170 . 6 1 1 A 16 16 PHE C C 14 175.247 176.709 -1.462 1
1 171 . 6 1 1 A 16 16 PHE CA C 14 55.559 57.193 -1.634 1
1 172 . 6 1 1 A 16 16 PHE CB C 14 41.220 40.808 0.412 1
1 176 . 6 1 1 A 16 16 PHE N N 14 119.656 120.260 -0.604 1
1 177 . 6 1 1 A 17 17 GLU H H 15 8.879 9.379 -0.500 1
1 178 . 6 1 1 A 17 17 GLU HA H 15 4.536 4.035 0.501 1
1 183 . 6 1 1 A 17 17 GLU C C 15 176.747 176.575 0.172 1
1 184 . 6 1 1 A 17 17 GLU CA C 15 56.012 59.460 -3.448 1
1 185 . 6 1 1 A 17 17 GLU CB C 15 30.876 29.215 1.661 1
1 187 . 6 1 1 A 17 17 GLU N N 15 122.563 124.616 -2.053 1
1 188 . 6 1 1 A 18 18 SER H H 16 8.810 8.254 0.556 1
1 189 . 6 1 1 A 18 18 SER HA H 16 4.673 4.070 0.603 1
1 192 . 6 1 1 A 18 18 SER C C 16 174.278 174.458 -0.180 1
1 193 . 6 1 1 A 18 18 SER CA C 16 59.799 59.553 0.246 1
1 194 . 6 1 1 A 18 18 SER CB C 16 63.999 62.886 1.113 1
1 195 . 6 1 1 A 18 18 SER N N 16 119.679 114.405 5.274 1
1 196 . 6 1 1 A 19 19 HIS H H 17 8.712 8.125 0.587 1
1 197 . 6 1 1 A 19 19 HIS HA H 17 4.777 4.904 -0.127 1
1 202 . 6 1 1 A 19 19 HIS C C 17 174.580 174.501 0.079 1
1 203 . 6 1 1 A 19 19 HIS CA C 17 56.240 55.100 1.140 1
1 204 . 6 1 1 A 19 19 HIS CB C 17 29.896 29.534 0.362 1
1 207 . 6 1 1 A 19 19 HIS N N 17 120.269 118.849 1.420 1
1 208 . 6 1 1 A 20 20 VAL H H 18 7.145 7.740 -0.595 1
1 209 . 6 1 1 A 20 20 VAL HA H 18 4.132 4.160 -0.028 1
1 217 . 6 1 1 A 20 20 VAL C C 18 174.138 175.504 -1.366 1
1 218 . 6 1 1 A 20 20 VAL CA C 18 61.605 61.848 -0.243 1
1 219 . 6 1 1 A 20 20 VAL CB C 18 34.102 32.936 1.166 1
1 221 . 6 1 1 A 20 20 VAL N N 18 120.100 120.272 -0.172 1
1 222 . 6 1 1 A 21 21 ALA H H 19 8.554 8.425 0.129 1
1 223 . 6 1 1 A 21 21 ALA HA H 19 4.353 4.327 0.026 1
1 227 . 6 1 1 A 21 21 ALA C C 19 177.514 177.549 -0.035 1
1 228 . 6 1 1 A 21 21 ALA CA C 19 50.666 50.020 0.646 1
1 229 . 6 1 1 A 21 21 ALA CB C 19 19.648 21.154 -1.506 1
1 230 . 6 1 1 A 21 21 ALA N N 19 131.180 130.202 0.978 1
1 231 . 6 1 1 A 22 22 ARG H H 20 7.813 7.949 -0.136 1
1 232 . 6 1 1 A 22 22 ARG HA H 20 2.621 2.816 -0.195 1
1 239 . 6 1 1 A 22 22 ARG C C 20 178.531 177.470 1.061 1
1 240 . 6 1 1 A 22 22 ARG CA C 20 59.155 58.784 0.371 1
1 241 . 6 1 1 A 22 22 ARG CB C 20 29.167 29.330 -0.163 1
1 244 . 6 1 1 A 22 22 ARG N N 20 124.436 120.394 4.042 1
1 245 . 6 1 1 A 23 23 ALA H H 21 8.191 7.528 0.663 1
1 246 . 6 1 1 A 23 23 ALA HA H 21 4.023 4.001 0.022 1
1 250 . 6 1 1 A 23 23 ALA C C 21 177.743 179.156 -1.413 1
1 251 . 6 1 1 A 23 23 ALA CA C 21 53.809 53.755 0.054 1
1 252 . 6 1 1 A 23 23 ALA CB C 21 18.712 18.085 0.627 1
1 253 . 6 1 1 A 23 23 ALA N N 21 117.354 120.372 -3.018 1
1 254 . 6 1 1 A 24 24 ASN H H 22 7.738 7.746 -0.008 1
1 255 . 6 1 1 A 24 24 ASN HA H 22 4.928 4.717 0.211 1
1 260 . 6 1 1 A 24 24 ASN C C 22 174.889 175.448 -0.559 1
1 261 . 6 1 1 A 24 24 ASN CA C 22 52.590 53.130 -0.540 1
1 262 . 6 1 1 A 24 24 ASN CB C 22 40.335 38.737 1.598 1
1 263 . 6 1 1 A 24 24 ASN N N 22 112.797 116.029 -3.232 1
1 265 . 6 1 1 A 25 25 VAL H H 23 7.438 7.477 -0.039 1
1 266 . 6 1 1 A 25 25 VAL HA H 23 4.349 4.280 0.069 1
1 274 . 6 1 1 A 25 25 VAL C C 23 174.594 175.954 -1.360 1
1 275 . 6 1 1 A 25 25 VAL CA C 23 62.406 62.747 -0.341 1
1 276 . 6 1 1 A 25 25 VAL CB C 23 33.445 31.688 1.757 1
1 278 . 6 1 1 A 25 25 VAL N N 23 118.653 121.097 -2.444 1
1 279 . 6 1 1 A 26 26 LYS H H 24 9.262 9.681 -0.419 1
1 280 . 6 1 1 A 26 26 LYS HA H 24 4.394 4.224 0.170 1
1 289 . 6 1 1 A 26 26 LYS C C 24 175.247 176.103 -0.856 1
1 290 . 6 1 1 A 26 26 LYS CA C 24 56.483 58.083 -1.600 1
1 291 . 6 1 1 A 26 26 LYS CB C 24 35.022 33.594 1.428 1
1 295 . 6 1 1 A 26 26 LYS N N 24 125.308 130.317 -5.009 1
1 296 . 6 1 1 A 27 27 HIS H H 25 7.749 8.032 -0.283 1
1 297 . 6 1 1 A 27 27 HIS HA H 25 4.625 4.839 -0.214 1
1 302 . 6 1 1 A 27 27 HIS C C 25 173.157 172.982 0.175 1
1 303 . 6 1 1 A 27 27 HIS CA C 25 55.916 54.367 1.549 1
1 304 . 6 1 1 A 27 27 HIS CB C 25 32.808 32.841 -0.033 1
1 307 . 6 1 1 A 27 27 HIS N N 25 115.509 117.647 -2.138 1
1 308 . 6 1 1 A 28 28 LEU H H 26 8.117 8.775 -0.658 1
1 309 . 6 1 1 A 28 28 LEU HA H 26 4.990 5.106 -0.116 1
1 319 . 6 1 1 A 28 28 LEU C C 26 175.514 174.187 1.327 1
1 320 . 6 1 1 A 28 28 LEU CA C 26 54.662 53.672 0.990 1
1 321 . 6 1 1 A 28 28 LEU CB C 26 45.594 44.704 0.890 1
1 325 . 6 1 1 A 29 29 LYS H H 27 9.028 9.725 -0.697 1
1 326 . 6 1 1 A 29 29 LYS HA H 27 4.585 5.136 -0.551 1
1 335 . 6 1 1 A 29 29 LYS C C 27 173.758 174.849 -1.091 1
1 336 . 6 1 1 A 29 29 LYS CA C 27 54.945 54.672 0.273 1
1 337 . 6 1 1 A 29 29 LYS CB C 27 36.358 35.663 0.695 1
1 341 . 6 1 1 A 29 29 LYS N N 27 122.904 127.726 -4.822 1
1 342 . 6 1 1 A 30 30 ILE H H 28 8.540 8.853 -0.313 1
1 343 . 6 1 1 A 30 30 ILE HA H 28 4.626 4.722 -0.096 1
1 353 . 6 1 1 A 30 30 ILE C C 28 175.988 175.340 0.648 1
1 354 . 6 1 1 A 30 30 ILE CA C 28 60.122 60.799 -0.677 1
1 355 . 6 1 1 A 30 30 ILE CB C 28 38.795 38.331 0.464 1
1 359 . 6 1 1 A 30 30 ILE N N 28 123.517 127.904 -4.387 1
1 360 . 6 1 1 A 31 31 LEU H H 29 8.961 9.217 -0.256 1
1 361 . 6 1 1 A 31 31 LEU HA H 29 4.564 5.242 -0.678 1
1 371 . 6 1 1 A 31 31 LEU C C 29 176.005 175.986 0.019 1
1 372 . 6 1 1 A 31 31 LEU CA C 29 53.975 53.463 0.512 1
1 373 . 6 1 1 A 31 31 LEU CB C 29 43.485 45.189 -1.704 1
1 376 . 6 1 1 A 31 31 LEU N N 29 128.881 128.305 0.576 1
1 377 . 6 1 1 A 32 32 ASN H H 30 8.763 9.222 -0.459 1
1 378 . 6 1 1 A 32 32 ASN HA H 30 4.991 5.567 -0.576 1
1 383 . 6 1 1 A 32 32 ASN C C 30 174.462 174.330 0.132 1
1 384 . 6 1 1 A 32 32 ASN CA C 30 52.413 51.447 0.966 1
1 385 . 6 1 1 A 32 32 ASN CB C 30 39.238 41.429 -2.191 1
1 386 . 6 1 1 A 32 32 ASN N N 30 124.019 120.459 3.560 1
1 388 . 6 1 1 A 33 33 THR H H 31 8.170 8.482 -0.312 1
1 389 . 6 1 1 A 33 33 THR HA H 31 4.628 5.065 -0.437 1
1 394 . 6 1 1 A 33 33 THR CA C 31 59.475 58.325 1.150 1
1 395 . 6 1 1 A 33 33 THR CB C 31 70.435 70.606 -0.171 1
1 397 . 6 1 1 A 33 33 THR N N 31 119.276 112.592 6.684 1
1 398 . 6 1 1 A 34 34 PRO HA H 32 4.223 4.274 -0.051 1
1 405 . 6 1 1 A 34 34 PRO C C 32 176.814 177.634 -0.820 1
1 406 . 6 1 1 A 34 34 PRO CA C 32 64.445 65.496 -1.051 1
1 407 . 6 1 1 A 34 34 PRO CB C 32 32.161 31.871 0.290 1
1 410 . 6 1 1 A 35 35 ASN H H 33 8.574 8.468 0.106 1
1 411 . 6 1 1 A 35 35 ASN HA H 33 4.320 4.794 -0.474 1
1 416 . 6 1 1 A 35 35 ASN C C 33 174.344 174.476 -0.132 1
1 417 . 6 1 1 A 35 35 ASN CA C 33 54.945 53.044 1.901 1
1 418 . 6 1 1 A 35 35 ASN CB C 33 38.122 39.015 -0.893 1
1 419 . 6 1 1 A 35 35 ASN N N 33 113.042 112.852 0.190 1
1 421 . 6 1 1 A 36 36 CYS H H 34 7.554 7.620 -0.066 1
1 422 . 6 1 1 A 36 36 CYS HA H 34 4.891 5.066 -0.175 1
1 425 . 6 1 1 A 36 36 CYS C C 34 173.880 172.741 1.139 1
1 426 . 6 1 1 A 36 36 CYS CA C 34 54.622 54.835 -0.213 1
1 427 . 6 1 1 A 36 36 CYS CB C 34 44.780 47.522 -2.742 1
1 428 . 6 1 1 A 36 36 CYS N N 34 116.301 117.240 -0.939 1
1 429 . 6 1 1 A 37 37 ALA H H 35 8.418 8.495 -0.077 1
1 430 . 6 1 1 A 37 37 ALA HA H 35 4.237 4.540 -0.303 1
1 434 . 6 1 1 A 37 37 ALA C C 35 176.677 177.069 -0.392 1
1 435 . 6 1 1 A 37 37 ALA CA C 35 52.413 50.779 1.634 1
1 436 . 6 1 1 A 37 37 ALA CB C 35 18.992 20.254 -1.262 1
1 437 . 6 1 1 A 37 37 ALA N N 35 125.001 124.421 0.580 1
1 438 . 6 1 1 A 38 38 LEU H H 36 8.060 8.515 -0.455 1
1 439 . 6 1 1 A 38 38 LEU HA H 36 4.203 4.703 -0.500 1
1 449 . 6 1 1 A 38 38 LEU C C 36 176.194 176.297 -0.103 1
1 450 . 6 1 1 A 38 38 LEU CA C 36 56.563 54.158 2.405 1
1 451 . 6 1 1 A 38 38 LEU CB C 36 42.488 42.979 -0.491 1
1 455 . 6 1 1 A 38 38 LEU N N 36 121.548 119.140 2.408 1
1 456 . 6 1 1 A 39 39 GLN H H 37 8.434 8.726 -0.292 1
1 457 . 6 1 1 A 39 39 GLN HA H 37 4.623 5.067 -0.444 1
1 464 . 6 1 1 A 39 39 GLN C C 37 173.581 173.848 -0.267 1
1 465 . 6 1 1 A 39 39 GLN CA C 37 54.109 54.340 -0.231 1
1 466 . 6 1 1 A 39 39 GLN CB C 37 32.286 32.024 0.262 1
1 468 . 6 1 1 A 39 39 GLN N N 37 123.271 119.205 4.066 1
1 470 . 6 1 1 A 40 40 ILE H H 38 9.408 8.316 1.092 1
1 471 . 6 1 1 A 40 40 ILE HA H 38 4.735 4.823 -0.088 1
1 481 . 6 1 1 A 40 40 ILE C C 38 174.547 175.385 -0.838 1
1 482 . 6 1 1 A 40 40 ILE CA C 38 60.122 60.067 0.055 1
1 483 . 6 1 1 A 40 40 ILE CB C 38 38.899 39.048 -0.149 1
1 487 . 6 1 1 A 40 40 ILE N N 38 124.702 125.690 -0.988 1
1 488 . 6 1 1 A 41 41 VAL H H 39 8.826 9.622 -0.796 1
1 489 . 6 1 1 A 41 41 VAL HA H 39 5.041 4.960 0.081 1
1 497 . 6 1 1 A 41 41 VAL C C 39 174.772 175.244 -0.472 1
1 498 . 6 1 1 A 41 41 VAL CA C 39 60.111 61.559 -1.448 1
1 499 . 6 1 1 A 41 41 VAL CB C 39 34.767 33.395 1.372 1
1 501 . 6 1 1 A 41 41 VAL N N 39 124.047 128.849 -4.802 1
1 502 . 6 1 1 A 42 42 ALA H H 40 9.299 9.223 0.076 1
1 503 . 6 1 1 A 42 42 ALA HA H 40 5.276 6.135 -0.859 1
1 507 . 6 1 1 A 42 42 ALA C C 40 175.955 175.110 0.845 1
1 508 . 6 1 1 A 42 42 ALA CA C 40 50.093 50.432 -0.339 1
1 509 . 6 1 1 A 42 42 ALA CB C 40 23.800 23.797 0.003 1
1 510 . 6 1 1 A 42 42 ALA N N 40 126.567 129.134 -2.567 1
1 511 . 6 1 1 A 43 43 ARG H H 41 8.398 8.918 -0.520 1
1 512 . 6 1 1 A 43 43 ARG HA H 41 5.131 5.328 -0.197 1
1 519 . 6 1 1 A 43 43 ARG C C 41 176.184 175.655 0.529 1
1 520 . 6 1 1 A 43 43 ARG CA C 41 53.900 54.419 -0.519 1
1 521 . 6 1 1 A 43 43 ARG CB C 41 32.161 33.630 -1.469 1
1 524 . 6 1 1 A 43 43 ARG N N 41 118.991 121.531 -2.540 1
1 525 . 6 1 1 A 44 44 LEU H H 42 8.988 9.451 -0.463 1
1 526 . 6 1 1 A 44 44 LEU HA H 42 4.925 4.683 0.242 1
1 536 . 6 1 1 A 44 44 LEU C C 42 178.369 176.992 1.377 1
1 537 . 6 1 1 A 44 44 LEU CA C 42 54.329 55.152 -0.823 1
1 538 . 6 1 1 A 44 44 LEU CB C 42 41.497 42.181 -0.684 1
1 542 . 6 1 1 A 44 44 LEU N N 42 125.637 127.678 -2.041 1
1 543 . 6 1 1 A 45 45 LYS H H 43 8.470 9.362 -0.892 1
1 544 . 6 1 1 A 45 45 LYS HA H 43 3.823 4.092 -0.269 1
1 553 . 6 1 1 A 45 45 LYS CA C 43 59.340 58.867 0.473 1
1 554 . 6 1 1 A 45 45 LYS CB C 43 33.445 32.658 0.787 1
1 558 . 6 1 1 A 45 45 LYS N N 43 120.489 122.311 -1.822 1
1 559 . 6 1 1 A 46 46 ASN HA H 44 4.421 4.468 -0.047 1
1 564 . 6 1 1 A 46 46 ASN C C 44 175.970 177.449 -1.479 1
1 565 . 6 1 1 A 46 46 ASN CA C 44 55.457 56.106 -0.649 1
1 566 . 6 1 1 A 46 46 ASN CB C 44 37.507 39.025 -1.518 1
1 568 . 6 1 1 A 47 47 ASN H H 45 7.483 7.829 -0.346 1
1 569 . 6 1 1 A 47 47 ASN HA H 45 4.706 4.820 -0.114 1
1 574 . 6 1 1 A 47 47 ASN C C 45 175.461 175.043 0.418 1
1 575 . 6 1 1 A 47 47 ASN CA C 45 52.769 53.269 -0.500 1
1 576 . 6 1 1 A 47 47 ASN CB C 45 39.194 39.201 -0.007 1
1 577 . 6 1 1 A 47 47 ASN N N 45 115.277 116.277 -1.000 1
1 579 . 6 1 1 A 48 48 ASN H H 46 7.995 8.273 -0.278 1
1 580 . 6 1 1 A 48 48 ASN HA H 46 4.661 4.882 -0.221 1
1 585 . 6 1 1 A 48 48 ASN C C 46 174.812 174.787 0.025 1
1 586 . 6 1 1 A 48 48 ASN CA C 46 54.298 54.603 -0.305 1
1 587 . 6 1 1 A 48 48 ASN CB C 46 39.103 38.179 0.924 1
1 588 . 6 1 1 A 48 48 ASN N N 46 116.416 117.696 -1.280 1
1 590 . 6 1 1 A 49 49 ARG H H 47 7.940 7.762 0.178 1
1 591 . 6 1 1 A 49 49 ARG HA H 47 4.205 4.591 -0.386 1
1 598 . 6 1 1 A 49 49 ARG C C 47 175.719 175.564 0.155 1
1 599 . 6 1 1 A 49 49 ARG CA C 47 57.084 55.336 1.748 1
1 600 . 6 1 1 A 49 49 ARG CB C 47 31.792 31.806 -0.014 1
1 603 . 6 1 1 A 49 49 ARG N N 47 120.017 120.895 -0.878 1
1 604 . 6 1 1 A 50 50 GLN H H 48 8.641 8.756 -0.115 1
1 605 . 6 1 1 A 50 50 GLN HA H 48 5.240 4.777 0.463 1
1 612 . 6 1 1 A 50 50 GLN C C 48 175.697 175.896 -0.199 1
1 613 . 6 1 1 A 50 50 GLN CA C 48 55.454 55.708 -0.254 1
1 614 . 6 1 1 A 50 50 GLN CB C 48 30.959 29.728 1.231 1
1 616 . 6 1 1 A 50 50 GLN N N 48 123.029 127.197 -4.168 1
1 618 . 6 1 1 A 51 51 VAL H H 49 9.018 9.695 -0.677 1
1 619 . 6 1 1 A 51 51 VAL HA H 49 4.745 4.916 -0.171 1
1 627 . 6 1 1 A 51 51 VAL C C 49 174.561 174.142 0.419 1
1 628 . 6 1 1 A 51 51 VAL CA C 49 59.266 58.842 0.424 1
1 629 . 6 1 1 A 51 51 VAL CB C 49 35.845 35.423 0.422 1
1 632 . 6 1 1 A 51 51 VAL N N 49 119.358 119.067 0.291 1
1 633 . 6 1 1 A 52 52 CYS H H 50 8.895 8.684 0.211 1
1 634 . 6 1 1 A 52 52 CYS HA H 50 5.636 5.362 0.274 1
1 637 . 6 1 1 A 52 52 CYS C C 50 174.469 173.346 1.123 1
1 638 . 6 1 1 A 52 52 CYS CA C 50 56.377 54.735 1.642 1
1 639 . 6 1 1 A 52 52 CYS CB C 50 44.680 43.541 1.139 1
1 640 . 6 1 1 A 52 52 CYS N N 50 120.834 119.858 0.976 1
1 641 . 6 1 1 A 53 53 ILE H H 51 8.615 9.627 -1.012 1
1 642 . 6 1 1 A 53 53 ILE HA H 51 4.512 4.564 -0.052 1
1 652 . 6 1 1 A 53 53 ILE C C 51 174.137 174.381 -0.244 1
1 653 . 6 1 1 A 53 53 ILE CA C 51 59.397 60.006 -0.609 1
1 654 . 6 1 1 A 53 53 ILE CB C 51 39.603 39.897 -0.294 1
1 658 . 6 1 1 A 53 53 ILE N N 51 122.392 126.141 -3.749 1
1 659 . 6 1 1 A 54 54 ASP H H 52 7.766 8.182 -0.416 1
1 660 . 6 1 1 A 54 54 ASP HA H 52 3.572 3.534 0.038 1
1 663 . 6 1 1 A 54 54 ASP CA C 52 51.578 51.198 0.380 1
1 664 . 6 1 1 A 54 54 ASP CB C 52 42.381 41.776 0.605 1
1 665 . 6 1 1 A 54 54 ASP N N 52 126.398 126.110 0.288 1
1 666 . 6 1 1 A 55 55 PRO HA H 53 4.011 4.170 -0.159 1
1 673 . 6 1 1 A 55 55 PRO C C 53 176.274 177.612 -1.338 1
1 674 . 6 1 1 A 55 55 PRO CA C 53 63.546 63.964 -0.418 1
1 675 . 6 1 1 A 55 55 PRO CB C 53 32.270 31.699 0.571 1
1 678 . 6 1 1 A 56 56 LYS H H 54 8.053 7.822 0.231 1
1 679 . 6 1 1 A 56 56 LYS HA H 54 3.982 4.192 -0.210 1
1 688 . 6 1 1 A 56 56 LYS C C 54 177.867 176.713 1.154 1
1 689 . 6 1 1 A 56 56 LYS CA C 54 56.189 57.207 -1.018 1
1 690 . 6 1 1 A 56 56 LYS CB C 54 31.649 32.518 -0.869 1
1 694 . 6 1 1 A 56 56 LYS N N 54 115.161 116.542 -1.381 1
1 695 . 6 1 1 A 57 57 LEU H H 55 7.145 7.200 -0.055 1
1 696 . 6 1 1 A 57 57 LEU HA H 55 4.027 4.143 -0.116 1
1 706 . 6 1 1 A 57 57 LEU C C 55 179.221 177.414 1.807 1
1 707 . 6 1 1 A 57 57 LEU CA C 55 14.371 55.462 -41.091 1
1 708 . 6 1 1 A 57 57 LEU CB C 55 41.739 41.760 -0.021 1
1 712 . 6 1 1 A 57 57 LEU N N 55 120.921 121.323 -0.402 1
1 713 . 6 1 1 A 58 58 LYS H H 56 8.798 8.824 -0.026 1
1 714 . 6 1 1 A 58 58 LYS HA H 56 3.937 3.959 -0.022 1
1 723 . 6 1 1 A 58 58 LYS C C 56 179.161 178.295 0.866 1
1 724 . 6 1 1 A 58 58 LYS CA C 56 60.116 59.486 0.630 1
1 725 . 6 1 1 A 58 58 LYS CB C 56 32.100 32.148 -0.048 1
1 729 . 6 1 1 A 58 58 LYS N N 56 125.449 124.884 0.565 1
1 730 . 6 1 1 A 59 59 TRP H H 57 7.821 8.307 -0.486 1
1 731 . 6 1 1 A 59 59 TRP HA H 57 4.636 4.504 0.132 1
1 740 . 6 1 1 A 59 59 TRP C C 57 178.642 179.370 -0.728 1
1 741 . 6 1 1 A 59 59 TRP CA C 57 58.388 59.900 -1.512 1
1 742 . 6 1 1 A 59 59 TRP CB C 57 27.954 27.997 -0.043 1
1 748 . 6 1 1 A 59 59 TRP N N 57 113.650 118.961 -5.311 1
1 750 . 6 1 1 A 60 60 ILE H H 58 6.340 7.431 -1.091 1
1 751 . 6 1 1 A 60 60 ILE HA H 58 3.620 3.266 0.354 1
1 761 . 6 1 1 A 60 60 ILE C C 58 177.104 177.952 -0.848 1
1 762 . 6 1 1 A 60 60 ILE CA C 58 61.605 64.471 -2.866 1
1 763 . 6 1 1 A 60 60 ILE CB C 58 36.043 36.551 -0.508 1
1 767 . 6 1 1 A 60 60 ILE N N 58 123.265 122.308 0.957 1
1 768 . 6 1 1 A 61 61 GLN H H 59 7.710 8.021 -0.311 1
1 769 . 6 1 1 A 61 61 GLN HA H 59 3.824 3.968 -0.144 1
1 776 . 6 1 1 A 61 61 GLN C C 59 178.933 179.026 -0.093 1
1 777 . 6 1 1 A 61 61 GLN CA C 59 59.663 59.162 0.501 1
1 778 . 6 1 1 A 61 61 GLN CB C 59 27.972 28.064 -0.092 1
1 780 . 6 1 1 A 61 61 GLN N N 59 120.515 119.053 1.462 1
1 782 . 6 1 1 A 62 62 GLU H H 60 8.042 8.326 -0.284 1
1 783 . 6 1 1 A 62 62 GLU HA H 60 4.093 4.060 0.033 1
1 788 . 6 1 1 A 62 62 GLU C C 60 178.539 178.641 -0.102 1
1 789 . 6 1 1 A 62 62 GLU CA C 60 59.152 59.323 -0.171 1
1 790 . 6 1 1 A 62 62 GLU CB C 60 29.896 29.605 0.291 1
1 792 . 6 1 1 A 62 62 GLU N N 60 117.976 121.480 -3.504 1
1 793 . 6 1 1 A 63 63 TYR H H 61 7.882 8.311 -0.429 1
1 794 . 6 1 1 A 63 63 TYR HA H 61 4.214 4.226 -0.012 1
1 801 . 6 1 1 A 63 63 TYR C C 61 178.157 177.404 0.753 1
1 802 . 6 1 1 A 63 63 TYR CA C 61 61.281 61.547 -0.266 1
1 803 . 6 1 1 A 63 63 TYR CB C 61 38.956 38.735 0.221 1
1 806 . 6 1 1 A 63 63 TYR N N 61 120.743 122.578 -1.835 1
1 807 . 6 1 1 A 64 64 LEU H H 62 8.438 8.991 -0.553 1
1 808 . 6 1 1 A 64 64 LEU HA H 62 3.886 3.622 0.264 1
1 818 . 6 1 1 A 64 64 LEU C C 62 178.678 178.956 -0.278 1
1 819 . 6 1 1 A 64 64 LEU CA C 62 57.619 58.014 -0.395 1
1 820 . 6 1 1 A 64 64 LEU CB C 62 41.868 41.402 0.466 1
1 824 . 6 1 1 A 64 64 LEU N N 62 119.052 119.793 -0.741 1
1 825 . 6 1 1 A 65 65 GLU H H 63 7.884 8.296 -0.412 1
1 826 . 6 1 1 A 65 65 GLU HA H 63 3.998 3.875 0.123 1
1 831 . 6 1 1 A 65 65 GLU C C 63 178.447 178.387 0.060 1
1 832 . 6 1 1 A 65 65 GLU CA C 63 59.143 59.800 -0.657 1
1 833 . 6 1 1 A 65 65 GLU CB C 63 29.708 29.394 0.314 1
1 835 . 6 1 1 A 65 65 GLU N N 63 118.310 117.817 0.493 1
1 836 . 6 1 1 A 66 66 LYS H H 64 7.576 8.321 -0.745 1
1 837 . 6 1 1 A 66 66 LYS HA H 64 4.208 4.266 -0.058 1
1 846 . 6 1 1 A 66 66 LYS C C 64 177.941 177.023 0.918 1
1 847 . 6 1 1 A 66 66 LYS CA C 64 57.543 56.538 1.005 1
1 848 . 6 1 1 A 66 66 LYS CB C 64 32.620 32.413 0.207 1
1 852 . 6 1 1 A 66 66 LYS N N 64 117.398 116.670 0.728 1
1 853 . 6 1 1 A 67 67 ALA H H 65 7.934 7.402 0.532 1
1 854 . 6 1 1 A 67 67 ALA HA H 65 4.106 4.294 -0.188 1
1 858 . 6 1 1 A 67 67 ALA C C 65 178.624 178.788 -0.164 1
1 859 . 6 1 1 A 67 67 ALA CA C 65 53.790 53.009 0.781 1
1 860 . 6 1 1 A 67 67 ALA CB C 65 19.106 19.679 -0.573 1
1 861 . 6 1 1 A 67 67 ALA N N 65 121.561 121.083 0.478 1
1 862 . 6 1 1 A 68 68 LEU H H 66 7.835 7.910 -0.075 1
1 863 . 6 1 1 A 68 68 LEU HA H 66 4.268 4.145 0.123 1
1 873 . 6 1 1 A 68 68 LEU CA C 66 55.593 56.951 -1.358 1
1 874 . 6 1 1 A 68 68 LEU CB C 66 42.191 42.912 -0.721 1
1 877 . 6 1 1 A 68 68 LEU N N 66 117.270 117.418 -0.148 1
1 878 . 6 1 1 A 69 69 ASN H H 67 7.914 7.715 0.199 1
1 879 . 6 1 1 A 69 69 ASN HA H 67 4.731 4.785 -0.054 1
1 884 . 6 1 1 A 69 69 ASN C C 67 174.039 174.246 -0.207 1
1 885 . 6 1 1 A 69 69 ASN CA C 67 53.328 52.469 0.859 1
1 886 . 6 1 1 A 69 69 ASN CB C 67 39.091 37.541 1.550 1
1 887 . 6 1 1 A 69 69 ASN N N 67 118.309 116.679 1.630 1
1 18 . 7 1 1 A 4 4 PRO HA H 2 4.447 4.830 -0.383 1
1 25 . 7 1 1 A 4 4 PRO C C 2 176.996 176.932 0.064 1
1 26 . 7 1 1 A 4 4 PRO CA C 2 63.494 62.437 1.057 1
1 27 . 7 1 1 A 4 4 PRO CB C 2 32.161 31.814 0.347 1
1 30 . 7 1 1 A 5 5 VAL H H 3 8.292 8.316 -0.024 1
1 31 . 7 1 1 A 5 5 VAL HA H 3 4.074 4.233 -0.159 1
1 39 . 7 1 1 A 5 5 VAL C C 3 176.376 176.080 0.296 1
1 40 . 7 1 1 A 5 5 VAL CA C 3 62.495 61.315 1.180 1
1 41 . 7 1 1 A 5 5 VAL CB C 3 32.808 32.497 0.311 1
1 43 . 7 1 1 A 5 5 VAL N N 3 121.008 119.342 1.666 1
1 44 . 7 1 1 A 6 6 SER H H 4 8.313 9.174 -0.861 1
1 45 . 7 1 1 A 6 6 SER HA H 4 4.419 4.087 0.332 1
1 48 . 7 1 1 A 6 6 SER C C 4 174.577 174.191 0.386 1
1 49 . 7 1 1 A 6 6 SER CA C 4 58.148 61.073 -2.925 1
1 50 . 7 1 1 A 6 6 SER CB C 4 63.870 61.465 2.405 1
1 51 . 7 1 1 A 6 6 SER N N 4 119.573 116.422 3.151 1
1 52 . 7 1 1 A 7 7 LEU H H 5 8.326 8.569 -0.243 1
1 53 . 7 1 1 A 7 7 LEU HA H 5 4.342 4.012 0.330 1
1 63 . 7 1 1 A 7 7 LEU C C 5 177.341 175.900 1.441 1
1 64 . 7 1 1 A 7 7 LEU CA C 5 55.388 55.730 -0.342 1
1 65 . 7 1 1 A 7 7 LEU CB C 5 42.650 40.624 2.026 1
1 68 . 7 1 1 A 7 7 LEU N N 5 125.039 121.320 3.719 1
1 69 . 7 1 1 A 8 8 SER H H 6 8.157 7.970 0.187 1
1 70 . 7 1 1 A 8 8 SER HA H 6 4.360 4.969 -0.609 1
1 73 . 7 1 1 A 8 8 SER C C 6 174.189 172.368 1.821 1
1 74 . 7 1 1 A 8 8 SER CA C 6 58.433 56.886 1.547 1
1 75 . 7 1 1 A 8 8 SER CB C 6 63.870 65.067 -1.197 1
1 76 . 7 1 1 A 8 8 SER N N 6 116.154 117.727 -1.573 1
1 77 . 7 1 1 A 9 9 TYR H H 7 8.017 8.715 -0.698 1
1 78 . 7 1 1 A 9 9 TYR HA H 7 4.512 4.890 -0.378 1
1 85 . 7 1 1 A 9 9 TYR C C 7 175.520 175.034 0.486 1
1 86 . 7 1 1 A 9 9 TYR CA C 7 58.008 57.444 0.564 1
1 87 . 7 1 1 A 9 9 TYR CB C 7 38.956 39.265 -0.309 1
1 90 . 7 1 1 A 9 9 TYR N N 7 122.213 128.556 -6.343 1
1 91 . 7 1 1 A 10 10 ARG H H 8 8.152 8.499 -0.347 1
1 92 . 7 1 1 A 10 10 ARG HA H 8 4.260 4.288 -0.028 1
1 99 . 7 1 1 A 10 10 ARG C C 8 175.918 175.913 0.005 1
1 100 . 7 1 1 A 10 10 ARG CA C 8 56.104 57.215 -1.111 1
1 101 . 7 1 1 A 10 10 ARG CB C 8 30.875 31.218 -0.343 1
1 104 . 7 1 1 A 10 10 ARG N N 8 122.182 126.614 -4.432 1
1 105 . 7 1 1 A 11 11 CYS H H 9 8.132 7.778 0.354 1
1 106 . 7 1 1 A 11 11 CYS HA H 9 4.935 4.724 0.211 1
1 109 . 7 1 1 A 11 11 CYS C C 9 173.615 173.105 0.510 1
1 110 . 7 1 1 A 11 11 CYS CA C 9 53.127 53.686 -0.559 1
1 111 . 7 1 1 A 11 11 CYS CB C 9 40.201 44.588 -4.387 1
1 112 . 7 1 1 A 11 11 CYS N N 9 121.280 115.547 5.733 1
1 113 . 7 1 1 A 12 12 PRO HA H 10 4.290 4.253 0.037 1
1 120 . 7 1 1 A 12 12 PRO C C 10 177.703 176.704 0.999 1
1 121 . 7 1 1 A 12 12 PRO CA C 10 64.835 64.922 -0.087 1
1 122 . 7 1 1 A 12 12 PRO CB C 10 32.484 31.649 0.835 1
1 125 . 7 1 1 A 13 13 CYS H H 11 8.300 8.278 0.022 1
1 126 . 7 1 1 A 13 13 CYS HA H 11 4.891 4.807 0.084 1
1 129 . 7 1 1 A 13 13 CYS C C 11 174.202 173.462 0.740 1
1 130 . 7 1 1 A 13 13 CYS CA C 11 53.480 54.736 -1.256 1
1 131 . 7 1 1 A 13 13 CYS CB C 11 39.603 41.066 -1.463 1
1 132 . 7 1 1 A 13 13 CYS N N 11 114.161 116.319 -2.158 1
1 133 . 7 1 1 A 14 14 ARG HA H 12 3.963 4.221 -0.258 1
1 140 . 7 1 1 A 14 14 ARG C C 12 175.202 175.035 0.167 1
1 141 . 7 1 1 A 14 14 ARG CA C 12 57.293 55.687 1.606 1
1 142 . 7 1 1 A 14 14 ARG CB C 12 31.099 30.716 0.383 1
1 145 . 7 1 1 A 15 15 PHE H H 13 7.543 7.349 0.194 1
1 146 . 7 1 1 A 15 15 PHE HA H 13 4.496 4.966 -0.470 1
1 154 . 7 1 1 A 15 15 PHE C C 13 174.226 174.374 -0.148 1
1 155 . 7 1 1 A 15 15 PHE CA C 13 55.971 56.275 -0.304 1
1 156 . 7 1 1 A 15 15 PHE CB C 13 41.032 43.276 -2.244 1
1 160 . 7 1 1 A 15 15 PHE N N 13 116.175 118.047 -1.872 1
1 161 . 7 1 1 A 16 16 PHE H H 14 8.305 9.010 -0.705 1
1 162 . 7 1 1 A 16 16 PHE HA H 14 4.812 5.077 -0.265 1
1 170 . 7 1 1 A 16 16 PHE C C 14 175.247 176.173 -0.926 1
1 171 . 7 1 1 A 16 16 PHE CA C 14 55.559 56.509 -0.950 1
1 172 . 7 1 1 A 16 16 PHE CB C 14 41.220 42.202 -0.982 1
1 176 . 7 1 1 A 16 16 PHE N N 14 119.656 121.487 -1.831 1
1 177 . 7 1 1 A 17 17 GLU H H 15 8.879 9.560 -0.681 1
1 178 . 7 1 1 A 17 17 GLU HA H 15 4.536 4.032 0.504 1
1 183 . 7 1 1 A 17 17 GLU C C 15 176.747 176.653 0.094 1
1 184 . 7 1 1 A 17 17 GLU CA C 15 56.012 59.536 -3.524 1
1 185 . 7 1 1 A 17 17 GLU CB C 15 30.876 29.817 1.059 1
1 187 . 7 1 1 A 17 17 GLU N N 15 122.563 124.466 -1.903 1
1 188 . 7 1 1 A 18 18 SER H H 16 8.810 8.352 0.458 1
1 189 . 7 1 1 A 18 18 SER HA H 16 4.673 4.405 0.268 1
1 192 . 7 1 1 A 18 18 SER C C 16 174.278 173.734 0.544 1
1 193 . 7 1 1 A 18 18 SER CA C 16 59.799 60.132 -0.333 1
1 194 . 7 1 1 A 18 18 SER CB C 16 63.999 61.476 2.523 1
1 195 . 7 1 1 A 18 18 SER N N 16 119.679 114.987 4.692 1
1 196 . 7 1 1 A 19 19 HIS H H 17 8.712 8.200 0.512 1
1 197 . 7 1 1 A 19 19 HIS HA H 17 4.777 4.672 0.105 1
1 202 . 7 1 1 A 19 19 HIS C C 17 174.580 175.169 -0.589 1
1 203 . 7 1 1 A 19 19 HIS CA C 17 56.240 55.674 0.566 1
1 204 . 7 1 1 A 19 19 HIS CB C 17 29.896 29.811 0.085 1
1 207 . 7 1 1 A 19 19 HIS N N 17 120.269 120.272 -0.003 1
1 208 . 7 1 1 A 20 20 VAL H H 18 7.145 7.758 -0.613 1
1 209 . 7 1 1 A 20 20 VAL HA H 18 4.132 4.129 0.003 1
1 217 . 7 1 1 A 20 20 VAL C C 18 174.138 175.352 -1.214 1
1 218 . 7 1 1 A 20 20 VAL CA C 18 61.605 61.931 -0.326 1
1 219 . 7 1 1 A 20 20 VAL CB C 18 34.102 33.044 1.058 1
1 221 . 7 1 1 A 20 20 VAL N N 18 120.100 120.118 -0.018 1
1 222 . 7 1 1 A 21 21 ALA H H 19 8.554 8.219 0.335 1
1 223 . 7 1 1 A 21 21 ALA HA H 19 4.353 4.273 0.080 1
1 227 . 7 1 1 A 21 21 ALA C C 19 177.514 177.606 -0.092 1
1 228 . 7 1 1 A 21 21 ALA CA C 19 50.666 49.923 0.743 1
1 229 . 7 1 1 A 21 21 ALA CB C 19 19.648 21.542 -1.894 1
1 230 . 7 1 1 A 21 21 ALA N N 19 131.180 129.594 1.586 1
1 231 . 7 1 1 A 22 22 ARG H H 20 7.813 7.961 -0.148 1
1 232 . 7 1 1 A 22 22 ARG HA H 20 2.621 2.956 -0.335 1
1 239 . 7 1 1 A 22 22 ARG C C 20 178.531 177.367 1.164 1
1 240 . 7 1 1 A 22 22 ARG CA C 20 59.155 58.858 0.297 1
1 241 . 7 1 1 A 22 22 ARG CB C 20 29.167 29.255 -0.088 1
1 244 . 7 1 1 A 22 22 ARG N N 20 124.436 120.060 4.376 1
1 245 . 7 1 1 A 23 23 ALA H H 21 8.191 7.481 0.710 1
1 246 . 7 1 1 A 23 23 ALA HA H 21 4.023 4.020 0.003 1
1 250 . 7 1 1 A 23 23 ALA C C 21 177.743 180.111 -2.368 1
1 251 . 7 1 1 A 23 23 ALA CA C 21 53.809 54.170 -0.361 1
1 252 . 7 1 1 A 23 23 ALA CB C 21 18.712 18.047 0.665 1
1 253 . 7 1 1 A 23 23 ALA N N 21 117.354 120.169 -2.815 1
1 254 . 7 1 1 A 24 24 ASN H H 22 7.738 7.687 0.051 1
1 255 . 7 1 1 A 24 24 ASN HA H 22 4.928 4.656 0.272 1
1 260 . 7 1 1 A 24 24 ASN C C 22 174.889 175.608 -0.719 1
1 261 . 7 1 1 A 24 24 ASN CA C 22 52.590 53.703 -1.113 1
1 262 . 7 1 1 A 24 24 ASN CB C 22 40.335 38.697 1.638 1
1 263 . 7 1 1 A 24 24 ASN N N 22 112.797 115.735 -2.938 1
1 265 . 7 1 1 A 25 25 VAL H H 23 7.438 7.494 -0.056 1
1 266 . 7 1 1 A 25 25 VAL HA H 23 4.349 4.268 0.081 1
1 274 . 7 1 1 A 25 25 VAL C C 23 174.594 176.024 -1.430 1
1 275 . 7 1 1 A 25 25 VAL CA C 23 62.406 62.830 -0.424 1
1 276 . 7 1 1 A 25 25 VAL CB C 23 33.445 32.025 1.420 1
1 278 . 7 1 1 A 25 25 VAL N N 23 118.653 120.337 -1.684 1
1 279 . 7 1 1 A 26 26 LYS H H 24 9.262 9.875 -0.613 1
1 280 . 7 1 1 A 26 26 LYS HA H 24 4.394 4.268 0.126 1
1 289 . 7 1 1 A 26 26 LYS C C 24 175.247 175.800 -0.553 1
1 290 . 7 1 1 A 26 26 LYS CA C 24 56.483 57.874 -1.391 1
1 291 . 7 1 1 A 26 26 LYS CB C 24 35.022 33.783 1.239 1
1 295 . 7 1 1 A 26 26 LYS N N 24 125.308 129.878 -4.570 1
1 296 . 7 1 1 A 27 27 HIS H H 25 7.749 7.624 0.125 1
1 297 . 7 1 1 A 27 27 HIS HA H 25 4.625 4.929 -0.304 1
1 302 . 7 1 1 A 27 27 HIS C C 25 173.157 172.572 0.585 1
1 303 . 7 1 1 A 27 27 HIS CA C 25 55.916 55.472 0.444 1
1 304 . 7 1 1 A 27 27 HIS CB C 25 32.808 33.055 -0.247 1
1 307 . 7 1 1 A 27 27 HIS N N 25 115.509 116.998 -1.489 1
1 308 . 7 1 1 A 28 28 LEU H H 26 8.117 8.815 -0.698 1
1 309 . 7 1 1 A 28 28 LEU HA H 26 4.990 5.112 -0.122 1
1 319 . 7 1 1 A 28 28 LEU C C 26 175.514 175.144 0.370 1
1 320 . 7 1 1 A 28 28 LEU CA C 26 54.662 53.016 1.646 1
1 321 . 7 1 1 A 28 28 LEU CB C 26 45.594 43.826 1.768 1
1 325 . 7 1 1 A 29 29 LYS H H 27 9.028 9.328 -0.300 1
1 326 . 7 1 1 A 29 29 LYS HA H 27 4.585 5.204 -0.619 1
1 335 . 7 1 1 A 29 29 LYS C C 27 173.758 174.519 -0.761 1
1 336 . 7 1 1 A 29 29 LYS CA C 27 54.945 54.849 0.096 1
1 337 . 7 1 1 A 29 29 LYS CB C 27 36.358 36.244 0.114 1
1 341 . 7 1 1 A 29 29 LYS N N 27 122.904 125.745 -2.841 1
1 342 . 7 1 1 A 30 30 ILE H H 28 8.540 9.041 -0.501 1
1 343 . 7 1 1 A 30 30 ILE HA H 28 4.626 4.940 -0.314 1
1 353 . 7 1 1 A 30 30 ILE C C 28 175.988 173.828 2.160 1
1 354 . 7 1 1 A 30 30 ILE CA C 28 60.122 59.868 0.254 1
1 355 . 7 1 1 A 30 30 ILE CB C 28 38.795 39.351 -0.556 1
1 359 . 7 1 1 A 30 30 ILE N N 28 123.517 127.042 -3.525 1
1 360 . 7 1 1 A 31 31 LEU H H 29 8.961 9.446 -0.485 1
1 361 . 7 1 1 A 31 31 LEU HA H 29 4.564 5.213 -0.649 1
1 371 . 7 1 1 A 31 31 LEU C C 29 176.005 174.437 1.568 1
1 372 . 7 1 1 A 31 31 LEU CA C 29 53.975 53.552 0.423 1
1 373 . 7 1 1 A 31 31 LEU CB C 29 43.485 45.142 -1.657 1
1 376 . 7 1 1 A 31 31 LEU N N 29 128.881 130.319 -1.438 1
1 377 . 7 1 1 A 32 32 ASN H H 30 8.763 9.025 -0.262 1
1 378 . 7 1 1 A 32 32 ASN HA H 30 4.991 5.364 -0.373 1
1 383 . 7 1 1 A 32 32 ASN C C 30 174.462 174.034 0.428 1
1 384 . 7 1 1 A 32 32 ASN CA C 30 52.413 51.835 0.578 1
1 385 . 7 1 1 A 32 32 ASN CB C 30 39.238 40.403 -1.165 1
1 386 . 7 1 1 A 32 32 ASN N N 30 124.019 127.318 -3.299 1
1 388 . 7 1 1 A 33 33 THR H H 31 8.170 8.666 -0.496 1
1 389 . 7 1 1 A 33 33 THR HA H 31 4.628 4.719 -0.091 1
1 394 . 7 1 1 A 33 33 THR CA C 31 59.475 58.896 0.579 1
1 395 . 7 1 1 A 33 33 THR CB C 31 70.435 71.628 -1.193 1
1 397 . 7 1 1 A 33 33 THR N N 31 119.276 120.078 -0.802 1
1 398 . 7 1 1 A 34 34 PRO HA H 32 4.223 4.309 -0.086 1
1 405 . 7 1 1 A 34 34 PRO C C 32 176.814 177.533 -0.719 1
1 406 . 7 1 1 A 34 34 PRO CA C 32 64.445 65.714 -1.269 1
1 407 . 7 1 1 A 34 34 PRO CB C 32 32.161 31.762 0.399 1
1 410 . 7 1 1 A 35 35 ASN H H 33 8.574 8.484 0.090 1
1 411 . 7 1 1 A 35 35 ASN HA H 33 4.320 4.746 -0.426 1
1 416 . 7 1 1 A 35 35 ASN C C 33 174.344 175.693 -1.349 1
1 417 . 7 1 1 A 35 35 ASN CA C 33 54.945 53.139 1.806 1
1 418 . 7 1 1 A 35 35 ASN CB C 33 38.122 39.261 -1.139 1
1 419 . 7 1 1 A 35 35 ASN N N 33 113.042 113.451 -0.409 1
1 421 . 7 1 1 A 36 36 CYS H H 34 7.554 7.598 -0.044 1
1 422 . 7 1 1 A 36 36 CYS HA H 34 4.891 4.757 0.134 1
1 425 . 7 1 1 A 36 36 CYS C C 34 173.880 173.952 -0.072 1
1 426 . 7 1 1 A 36 36 CYS CA C 34 54.622 55.775 -1.153 1
1 427 . 7 1 1 A 36 36 CYS CB C 34 44.780 43.490 1.290 1
1 428 . 7 1 1 A 36 36 CYS N N 34 116.301 117.323 -1.022 1
1 429 . 7 1 1 A 37 37 ALA H H 35 8.418 7.607 0.811 1
1 430 . 7 1 1 A 37 37 ALA HA H 35 4.237 4.017 0.220 1
1 434 . 7 1 1 A 37 37 ALA C C 35 176.677 176.167 0.510 1
1 435 . 7 1 1 A 37 37 ALA CA C 35 52.413 54.303 -1.890 1
1 436 . 7 1 1 A 37 37 ALA CB C 35 18.992 17.852 1.140 1
1 437 . 7 1 1 A 37 37 ALA N N 35 125.001 122.233 2.768 1
1 438 . 7 1 1 A 38 38 LEU H H 36 8.060 8.426 -0.366 1
1 439 . 7 1 1 A 38 38 LEU HA H 36 4.203 4.467 -0.264 1
1 449 . 7 1 1 A 38 38 LEU C C 36 176.194 175.854 0.340 1
1 450 . 7 1 1 A 38 38 LEU CA C 36 56.563 54.579 1.984 1
1 451 . 7 1 1 A 38 38 LEU CB C 36 42.488 42.459 0.029 1
1 455 . 7 1 1 A 38 38 LEU N N 36 121.548 120.258 1.290 1
1 456 . 7 1 1 A 39 39 GLN H H 37 8.434 8.682 -0.248 1
1 457 . 7 1 1 A 39 39 GLN HA H 37 4.623 5.191 -0.568 1
1 464 . 7 1 1 A 39 39 GLN C C 37 173.581 174.603 -1.022 1
1 465 . 7 1 1 A 39 39 GLN CA C 37 54.109 54.435 -0.326 1
1 466 . 7 1 1 A 39 39 GLN CB C 37 32.286 32.437 -0.151 1
1 468 . 7 1 1 A 39 39 GLN N N 37 123.271 120.365 2.906 1
1 470 . 7 1 1 A 40 40 ILE H H 38 9.408 8.433 0.975 1
1 471 . 7 1 1 A 40 40 ILE HA H 38 4.735 4.948 -0.213 1
1 481 . 7 1 1 A 40 40 ILE C C 38 174.547 175.333 -0.786 1
1 482 . 7 1 1 A 40 40 ILE CA C 38 60.122 60.101 0.021 1
1 483 . 7 1 1 A 40 40 ILE CB C 38 38.899 40.001 -1.102 1
1 487 . 7 1 1 A 40 40 ILE N N 38 124.702 124.456 0.246 1
1 488 . 7 1 1 A 41 41 VAL H H 39 8.826 9.482 -0.656 1
1 489 . 7 1 1 A 41 41 VAL HA H 39 5.041 5.177 -0.136 1
1 497 . 7 1 1 A 41 41 VAL C C 39 174.772 174.647 0.125 1
1 498 . 7 1 1 A 41 41 VAL CA C 39 60.111 61.143 -1.032 1
1 499 . 7 1 1 A 41 41 VAL CB C 39 34.767 34.123 0.644 1
1 501 . 7 1 1 A 41 41 VAL N N 39 124.047 126.425 -2.378 1
1 502 . 7 1 1 A 42 42 ALA H H 40 9.299 9.224 0.075 1
1 503 . 7 1 1 A 42 42 ALA HA H 40 5.276 6.178 -0.902 1
1 507 . 7 1 1 A 42 42 ALA C C 40 175.955 174.960 0.995 1
1 508 . 7 1 1 A 42 42 ALA CA C 40 50.093 50.502 -0.409 1
1 509 . 7 1 1 A 42 42 ALA CB C 40 23.800 24.143 -0.343 1
1 510 . 7 1 1 A 42 42 ALA N N 40 126.567 128.686 -2.119 1
1 511 . 7 1 1 A 43 43 ARG H H 41 8.398 8.452 -0.054 1
1 512 . 7 1 1 A 43 43 ARG HA H 41 5.131 5.097 0.034 1
1 519 . 7 1 1 A 43 43 ARG C C 41 176.184 175.548 0.636 1
1 520 . 7 1 1 A 43 43 ARG CA C 41 53.900 54.475 -0.575 1
1 521 . 7 1 1 A 43 43 ARG CB C 41 32.161 33.605 -1.444 1
1 524 . 7 1 1 A 43 43 ARG N N 41 118.991 121.196 -2.205 1
1 525 . 7 1 1 A 44 44 LEU H H 42 8.988 9.337 -0.349 1
1 526 . 7 1 1 A 44 44 LEU HA H 42 4.925 4.688 0.237 1
1 536 . 7 1 1 A 44 44 LEU C C 42 178.369 176.589 1.780 1
1 537 . 7 1 1 A 44 44 LEU CA C 42 54.329 54.908 -0.579 1
1 538 . 7 1 1 A 44 44 LEU CB C 42 41.497 42.112 -0.615 1
1 542 . 7 1 1 A 44 44 LEU N N 42 125.637 127.722 -2.085 1
1 543 . 7 1 1 A 45 45 LYS H H 43 8.470 9.403 -0.933 1
1 544 . 7 1 1 A 45 45 LYS HA H 43 3.823 3.971 -0.148 1
1 553 . 7 1 1 A 45 45 LYS CA C 43 59.340 59.574 -0.234 1
1 554 . 7 1 1 A 45 45 LYS CB C 43 33.445 32.520 0.925 1
1 558 . 7 1 1 A 45 45 LYS N N 43 120.489 122.377 -1.888 1
1 559 . 7 1 1 A 46 46 ASN HA H 44 4.421 4.521 -0.100 1
1 564 . 7 1 1 A 46 46 ASN C C 44 175.970 176.986 -1.016 1
1 565 . 7 1 1 A 46 46 ASN CA C 44 55.457 56.591 -1.134 1
1 566 . 7 1 1 A 46 46 ASN CB C 44 37.507 38.932 -1.425 1
1 568 . 7 1 1 A 47 47 ASN H H 45 7.483 7.990 -0.507 1
1 569 . 7 1 1 A 47 47 ASN HA H 45 4.706 4.810 -0.104 1
1 574 . 7 1 1 A 47 47 ASN C C 45 175.461 175.444 0.017 1
1 575 . 7 1 1 A 47 47 ASN CA C 45 52.769 52.831 -0.062 1
1 576 . 7 1 1 A 47 47 ASN CB C 45 39.194 39.409 -0.215 1
1 577 . 7 1 1 A 47 47 ASN N N 45 115.277 114.157 1.120 1
1 579 . 7 1 1 A 48 48 ASN H H 46 7.995 8.326 -0.331 1
1 580 . 7 1 1 A 48 48 ASN HA H 46 4.661 4.758 -0.097 1
1 585 . 7 1 1 A 48 48 ASN C C 46 174.812 174.411 0.401 1
1 586 . 7 1 1 A 48 48 ASN CA C 46 54.298 54.634 -0.336 1
1 587 . 7 1 1 A 48 48 ASN CB C 46 39.103 38.198 0.905 1
1 588 . 7 1 1 A 48 48 ASN N N 46 116.416 117.078 -0.662 1
1 590 . 7 1 1 A 49 49 ARG H H 47 7.940 7.887 0.053 1
1 591 . 7 1 1 A 49 49 ARG HA H 47 4.205 4.720 -0.515 1
1 598 . 7 1 1 A 49 49 ARG C C 47 175.719 175.040 0.679 1
1 599 . 7 1 1 A 49 49 ARG CA C 47 57.084 55.463 1.621 1
1 600 . 7 1 1 A 49 49 ARG CB C 47 31.792 32.146 -0.354 1
1 603 . 7 1 1 A 49 49 ARG N N 47 120.017 118.057 1.960 1
1 604 . 7 1 1 A 50 50 GLN H H 48 8.641 8.617 0.024 1
1 605 . 7 1 1 A 50 50 GLN HA H 48 5.240 4.834 0.406 1
1 612 . 7 1 1 A 50 50 GLN C C 48 175.697 175.994 -0.297 1
1 613 . 7 1 1 A 50 50 GLN CA C 48 55.454 55.517 -0.063 1
1 614 . 7 1 1 A 50 50 GLN CB C 48 30.959 29.825 1.134 1
1 616 . 7 1 1 A 50 50 GLN N N 48 123.029 122.880 0.149 1
1 618 . 7 1 1 A 51 51 VAL H H 49 9.018 9.696 -0.678 1
1 619 . 7 1 1 A 51 51 VAL HA H 49 4.745 4.998 -0.253 1
1 627 . 7 1 1 A 51 51 VAL C C 49 174.561 174.398 0.163 1
1 628 . 7 1 1 A 51 51 VAL CA C 49 59.266 59.038 0.228 1
1 629 . 7 1 1 A 51 51 VAL CB C 49 35.845 35.260 0.585 1
1 632 . 7 1 1 A 51 51 VAL N N 49 119.358 119.581 -0.223 1
1 633 . 7 1 1 A 52 52 CYS H H 50 8.895 8.889 0.006 1
1 634 . 7 1 1 A 52 52 CYS HA H 50 5.636 5.582 0.054 1
1 637 . 7 1 1 A 52 52 CYS C C 50 174.469 172.736 1.733 1
1 638 . 7 1 1 A 52 52 CYS CA C 50 56.377 54.553 1.824 1
1 639 . 7 1 1 A 52 52 CYS CB C 50 44.680 44.021 0.659 1
1 640 . 7 1 1 A 52 52 CYS N N 50 120.834 119.272 1.562 1
1 641 . 7 1 1 A 53 53 ILE H H 51 8.615 9.852 -1.237 1
1 642 . 7 1 1 A 53 53 ILE HA H 51 4.512 4.524 -0.012 1
1 652 . 7 1 1 A 53 53 ILE C C 51 174.137 174.488 -0.351 1
1 653 . 7 1 1 A 53 53 ILE CA C 51 59.397 60.035 -0.638 1
1 654 . 7 1 1 A 53 53 ILE CB C 51 39.603 40.228 -0.625 1
1 658 . 7 1 1 A 53 53 ILE N N 51 122.392 124.877 -2.485 1
1 659 . 7 1 1 A 54 54 ASP H H 52 7.766 8.195 -0.429 1
1 660 . 7 1 1 A 54 54 ASP HA H 52 3.572 3.398 0.174 1
1 663 . 7 1 1 A 54 54 ASP CA C 52 51.578 51.261 0.317 1
1 664 . 7 1 1 A 54 54 ASP CB C 52 42.381 41.830 0.551 1
1 665 . 7 1 1 A 54 54 ASP N N 52 126.398 126.420 -0.022 1
1 666 . 7 1 1 A 55 55 PRO HA H 53 4.011 4.307 -0.296 1
1 673 . 7 1 1 A 55 55 PRO C C 53 176.274 177.204 -0.930 1
1 674 . 7 1 1 A 55 55 PRO CA C 53 63.546 63.954 -0.408 1
1 675 . 7 1 1 A 55 55 PRO CB C 53 32.270 31.589 0.681 1
1 678 . 7 1 1 A 56 56 LYS H H 54 8.053 8.054 -0.001 1
1 679 . 7 1 1 A 56 56 LYS HA H 54 3.982 4.272 -0.290 1
1 688 . 7 1 1 A 56 56 LYS C C 54 177.867 176.540 1.327 1
1 689 . 7 1 1 A 56 56 LYS CA C 54 56.189 56.706 -0.517 1
1 690 . 7 1 1 A 56 56 LYS CB C 54 31.649 32.851 -1.202 1
1 694 . 7 1 1 A 56 56 LYS N N 54 115.161 116.603 -1.442 1
1 695 . 7 1 1 A 57 57 LEU H H 55 7.145 6.939 0.206 1
1 696 . 7 1 1 A 57 57 LEU HA H 55 4.027 4.150 -0.123 1
1 706 . 7 1 1 A 57 57 LEU C C 55 179.221 177.293 1.928 1
1 707 . 7 1 1 A 57 57 LEU CA C 55 14.371 55.285 -40.914 1
1 708 . 7 1 1 A 57 57 LEU CB C 55 41.739 41.675 0.064 1
1 712 . 7 1 1 A 57 57 LEU N N 55 120.921 121.344 -0.423 1
1 713 . 7 1 1 A 58 58 LYS H H 56 8.798 8.827 -0.029 1
1 714 . 7 1 1 A 58 58 LYS HA H 56 3.937 3.966 -0.029 1
1 723 . 7 1 1 A 58 58 LYS C C 56 179.161 178.327 0.834 1
1 724 . 7 1 1 A 58 58 LYS CA C 56 60.116 59.440 0.676 1
1 725 . 7 1 1 A 58 58 LYS CB C 56 32.100 32.159 -0.059 1
1 729 . 7 1 1 A 58 58 LYS N N 56 125.449 125.066 0.383 1
1 730 . 7 1 1 A 59 59 TRP H H 57 7.821 8.269 -0.448 1
1 731 . 7 1 1 A 59 59 TRP HA H 57 4.636 4.498 0.138 1
1 740 . 7 1 1 A 59 59 TRP C C 57 178.642 179.251 -0.609 1
1 741 . 7 1 1 A 59 59 TRP CA C 57 58.388 59.819 -1.431 1
1 742 . 7 1 1 A 59 59 TRP CB C 57 27.954 27.935 0.019 1
1 748 . 7 1 1 A 59 59 TRP N N 57 113.650 119.157 -5.507 1
1 750 . 7 1 1 A 60 60 ILE H H 58 6.340 7.469 -1.129 1
1 751 . 7 1 1 A 60 60 ILE HA H 58 3.620 3.234 0.386 1
1 761 . 7 1 1 A 60 60 ILE C C 58 177.104 177.609 -0.505 1
1 762 . 7 1 1 A 60 60 ILE CA C 58 61.605 64.349 -2.744 1
1 763 . 7 1 1 A 60 60 ILE CB C 58 36.043 36.148 -0.105 1
1 767 . 7 1 1 A 60 60 ILE N N 58 123.265 122.280 0.985 1
1 768 . 7 1 1 A 61 61 GLN H H 59 7.710 8.025 -0.315 1
1 769 . 7 1 1 A 61 61 GLN HA H 59 3.824 3.908 -0.084 1
1 776 . 7 1 1 A 61 61 GLN C C 59 178.933 178.975 -0.042 1
1 777 . 7 1 1 A 61 61 GLN CA C 59 59.663 58.992 0.671 1
1 778 . 7 1 1 A 61 61 GLN CB C 59 27.972 28.114 -0.142 1
1 780 . 7 1 1 A 61 61 GLN N N 59 120.515 118.924 1.591 1
1 782 . 7 1 1 A 62 62 GLU H H 60 8.042 8.022 0.020 1
1 783 . 7 1 1 A 62 62 GLU HA H 60 4.093 4.086 0.007 1
1 788 . 7 1 1 A 62 62 GLU C C 60 178.539 178.700 -0.161 1
1 789 . 7 1 1 A 62 62 GLU CA C 60 59.152 59.153 -0.001 1
1 790 . 7 1 1 A 62 62 GLU CB C 60 29.896 29.624 0.272 1
1 792 . 7 1 1 A 62 62 GLU N N 60 117.976 121.419 -3.443 1
1 793 . 7 1 1 A 63 63 TYR H H 61 7.882 8.000 -0.118 1
1 794 . 7 1 1 A 63 63 TYR HA H 61 4.214 4.187 0.027 1
1 801 . 7 1 1 A 63 63 TYR C C 61 178.157 177.365 0.792 1
1 802 . 7 1 1 A 63 63 TYR CA C 61 61.281 61.469 -0.188 1
1 803 . 7 1 1 A 63 63 TYR CB C 61 38.956 38.409 0.547 1
1 806 . 7 1 1 A 63 63 TYR N N 61 120.743 122.597 -1.854 1
1 807 . 7 1 1 A 64 64 LEU H H 62 8.438 8.974 -0.536 1
1 808 . 7 1 1 A 64 64 LEU HA H 62 3.886 3.626 0.260 1
1 818 . 7 1 1 A 64 64 LEU C C 62 178.678 179.296 -0.618 1
1 819 . 7 1 1 A 64 64 LEU CA C 62 57.619 57.989 -0.370 1
1 820 . 7 1 1 A 64 64 LEU CB C 62 41.868 41.350 0.518 1
1 824 . 7 1 1 A 64 64 LEU N N 62 119.052 120.605 -1.553 1
1 825 . 7 1 1 A 65 65 GLU H H 63 7.884 8.514 -0.630 1
1 826 . 7 1 1 A 65 65 GLU HA H 63 3.998 4.177 -0.179 1
1 831 . 7 1 1 A 65 65 GLU C C 63 178.447 178.679 -0.232 1
1 832 . 7 1 1 A 65 65 GLU CA C 63 59.143 58.880 0.263 1
1 833 . 7 1 1 A 65 65 GLU CB C 63 29.708 29.382 0.326 1
1 835 . 7 1 1 A 65 65 GLU N N 63 118.310 116.650 1.660 1
1 836 . 7 1 1 A 66 66 LYS H H 64 7.576 7.869 -0.293 1
1 837 . 7 1 1 A 66 66 LYS HA H 64 4.208 4.184 0.024 1
1 846 . 7 1 1 A 66 66 LYS C C 64 177.941 178.481 -0.540 1
1 847 . 7 1 1 A 66 66 LYS CA C 64 57.543 58.725 -1.182 1
1 848 . 7 1 1 A 66 66 LYS CB C 64 32.620 33.054 -0.434 1
1 852 . 7 1 1 A 66 66 LYS N N 64 117.398 120.711 -3.313 1
1 853 . 7 1 1 A 67 67 ALA H H 65 7.934 8.106 -0.172 1
1 854 . 7 1 1 A 67 67 ALA HA H 65 4.106 4.027 0.079 1
1 858 . 7 1 1 A 67 67 ALA C C 65 178.624 179.066 -0.442 1
1 859 . 7 1 1 A 67 67 ALA CA C 65 53.790 54.372 -0.582 1
1 860 . 7 1 1 A 67 67 ALA CB C 65 19.106 18.398 0.708 1
1 861 . 7 1 1 A 67 67 ALA N N 65 121.561 120.814 0.747 1
1 862 . 7 1 1 A 68 68 LEU H H 66 7.835 7.685 0.150 1
1 863 . 7 1 1 A 68 68 LEU HA H 66 4.268 4.156 0.112 1
1 873 . 7 1 1 A 68 68 LEU CA C 66 55.593 56.794 -1.201 1
1 874 . 7 1 1 A 68 68 LEU CB C 66 42.191 42.152 0.039 1
1 877 . 7 1 1 A 68 68 LEU N N 66 117.270 119.016 -1.746 1
1 878 . 7 1 1 A 69 69 ASN H H 67 7.914 7.756 0.158 1
1 879 . 7 1 1 A 69 69 ASN HA H 67 4.731 4.415 0.316 1
1 884 . 7 1 1 A 69 69 ASN C C 67 174.039 176.508 -2.469 1
1 885 . 7 1 1 A 69 69 ASN CA C 67 53.328 56.270 -2.942 1
1 886 . 7 1 1 A 69 69 ASN CB C 67 39.091 38.788 0.303 1
1 887 . 7 1 1 A 69 69 ASN N N 67 118.309 117.909 0.400 1
1 18 . 8 1 1 A 4 4 PRO HA H 2 4.447 4.690 -0.243 1
1 25 . 8 1 1 A 4 4 PRO C C 2 176.996 175.724 1.272 1
1 26 . 8 1 1 A 4 4 PRO CA C 2 63.494 62.259 1.235 1
1 27 . 8 1 1 A 4 4 PRO CB C 2 32.161 32.746 -0.585 1
1 30 . 8 1 1 A 5 5 VAL H H 3 8.292 8.564 -0.272 1
1 31 . 8 1 1 A 5 5 VAL HA H 3 4.074 4.255 -0.181 1
1 39 . 8 1 1 A 5 5 VAL C C 3 176.376 175.048 1.328 1
1 40 . 8 1 1 A 5 5 VAL CA C 3 62.495 61.681 0.814 1
1 41 . 8 1 1 A 5 5 VAL CB C 3 32.808 31.704 1.104 1
1 43 . 8 1 1 A 5 5 VAL N N 3 121.008 120.180 0.828 1
1 44 . 8 1 1 A 6 6 SER H H 4 8.313 8.844 -0.531 1
1 45 . 8 1 1 A 6 6 SER HA H 4 4.419 4.768 -0.349 1
1 48 . 8 1 1 A 6 6 SER C C 4 174.577 173.633 0.944 1
1 49 . 8 1 1 A 6 6 SER CA C 4 58.148 57.288 0.860 1
1 50 . 8 1 1 A 6 6 SER CB C 4 63.870 63.361 0.509 1
1 51 . 8 1 1 A 6 6 SER N N 4 119.573 123.083 -3.510 1
1 52 . 8 1 1 A 7 7 LEU H H 5 8.326 8.789 -0.463 1
1 53 . 8 1 1 A 7 7 LEU HA H 5 4.342 4.925 -0.583 1
1 63 . 8 1 1 A 7 7 LEU C C 5 177.341 176.488 0.853 1
1 64 . 8 1 1 A 7 7 LEU CA C 5 55.388 53.227 2.161 1
1 65 . 8 1 1 A 7 7 LEU CB C 5 42.650 44.120 -1.470 1
1 68 . 8 1 1 A 7 7 LEU N N 5 125.039 129.215 -4.176 1
1 69 . 8 1 1 A 8 8 SER H H 6 8.157 8.806 -0.649 1
1 70 . 8 1 1 A 8 8 SER HA H 6 4.360 4.586 -0.226 1
1 73 . 8 1 1 A 8 8 SER C C 6 174.189 174.405 -0.216 1
1 74 . 8 1 1 A 8 8 SER CA C 6 58.433 59.730 -1.297 1
1 75 . 8 1 1 A 8 8 SER CB C 6 63.870 64.550 -0.680 1
1 76 . 8 1 1 A 8 8 SER N N 6 116.154 117.624 -1.470 1
1 77 . 8 1 1 A 9 9 TYR H H 7 8.017 7.940 0.077 1
1 78 . 8 1 1 A 9 9 TYR HA H 7 4.512 4.875 -0.363 1
1 85 . 8 1 1 A 9 9 TYR C C 7 175.520 173.876 1.644 1
1 86 . 8 1 1 A 9 9 TYR CA C 7 58.008 56.695 1.313 1
1 87 . 8 1 1 A 9 9 TYR CB C 7 38.956 41.144 -2.188 1
1 90 . 8 1 1 A 9 9 TYR N N 7 122.213 121.039 1.174 1
1 91 . 8 1 1 A 10 10 ARG H H 8 8.152 8.701 -0.549 1
1 92 . 8 1 1 A 10 10 ARG HA H 8 4.260 4.829 -0.569 1
1 99 . 8 1 1 A 10 10 ARG C C 8 175.918 175.292 0.626 1
1 100 . 8 1 1 A 10 10 ARG CA C 8 56.104 55.062 1.042 1
1 101 . 8 1 1 A 10 10 ARG CB C 8 30.875 31.286 -0.411 1
1 104 . 8 1 1 A 10 10 ARG N N 8 122.182 123.771 -1.589 1
1 105 . 8 1 1 A 11 11 CYS H H 9 8.132 8.924 -0.792 1
1 106 . 8 1 1 A 11 11 CYS HA H 9 4.935 4.827 0.108 1
1 109 . 8 1 1 A 11 11 CYS C C 9 173.615 173.881 -0.266 1
1 110 . 8 1 1 A 11 11 CYS CA C 9 53.127 55.560 -2.433 1
1 111 . 8 1 1 A 11 11 CYS CB C 9 40.201 42.151 -1.950 1
1 112 . 8 1 1 A 11 11 CYS N N 9 121.280 122.070 -0.790 1
1 113 . 8 1 1 A 12 12 PRO HA H 10 4.290 4.301 -0.011 1
1 120 . 8 1 1 A 12 12 PRO C C 10 177.703 176.410 1.293 1
1 121 . 8 1 1 A 12 12 PRO CA C 10 64.835 65.515 -0.680 1
1 122 . 8 1 1 A 12 12 PRO CB C 10 32.484 31.377 1.107 1
1 125 . 8 1 1 A 13 13 CYS H H 11 8.300 7.727 0.573 1
1 126 . 8 1 1 A 13 13 CYS HA H 11 4.891 4.499 0.392 1
1 129 . 8 1 1 A 13 13 CYS C C 11 174.202 173.177 1.025 1
1 130 . 8 1 1 A 13 13 CYS CA C 11 53.480 57.075 -3.595 1
1 131 . 8 1 1 A 13 13 CYS CB C 11 39.603 42.768 -3.165 1
1 132 . 8 1 1 A 13 13 CYS N N 11 114.161 116.260 -2.099 1
1 133 . 8 1 1 A 14 14 ARG HA H 12 3.963 4.208 -0.245 1
1 140 . 8 1 1 A 14 14 ARG C C 12 175.202 175.773 -0.571 1
1 141 . 8 1 1 A 14 14 ARG CA C 12 57.293 57.057 0.236 1
1 142 . 8 1 1 A 14 14 ARG CB C 12 31.099 31.400 -0.301 1
1 145 . 8 1 1 A 15 15 PHE H H 13 7.543 7.661 -0.118 1
1 146 . 8 1 1 A 15 15 PHE HA H 13 4.496 4.997 -0.501 1
1 154 . 8 1 1 A 15 15 PHE C C 13 174.226 174.780 -0.554 1
1 155 . 8 1 1 A 15 15 PHE CA C 13 55.971 55.755 0.216 1
1 156 . 8 1 1 A 15 15 PHE CB C 13 41.032 41.761 -0.729 1
1 160 . 8 1 1 A 15 15 PHE N N 13 116.175 114.937 1.238 1
1 161 . 8 1 1 A 16 16 PHE H H 14 8.305 9.029 -0.724 1
1 162 . 8 1 1 A 16 16 PHE HA H 14 4.812 5.114 -0.302 1
1 170 . 8 1 1 A 16 16 PHE C C 14 175.247 176.167 -0.920 1
1 171 . 8 1 1 A 16 16 PHE CA C 14 55.559 56.886 -1.327 1
1 172 . 8 1 1 A 16 16 PHE CB C 14 41.220 41.817 -0.597 1
1 176 . 8 1 1 A 16 16 PHE N N 14 119.656 121.128 -1.472 1
1 177 . 8 1 1 A 17 17 GLU H H 15 8.879 9.214 -0.335 1
1 178 . 8 1 1 A 17 17 GLU HA H 15 4.536 4.017 0.519 1
1 183 . 8 1 1 A 17 17 GLU C C 15 176.747 176.666 0.081 1
1 184 . 8 1 1 A 17 17 GLU CA C 15 56.012 59.381 -3.369 1
1 185 . 8 1 1 A 17 17 GLU CB C 15 30.876 29.253 1.623 1
1 187 . 8 1 1 A 17 17 GLU N N 15 122.563 124.466 -1.903 1
1 188 . 8 1 1 A 18 18 SER H H 16 8.810 8.337 0.473 1
1 189 . 8 1 1 A 18 18 SER HA H 16 4.673 4.264 0.409 1
1 192 . 8 1 1 A 18 18 SER C C 16 174.278 174.071 0.207 1
1 193 . 8 1 1 A 18 18 SER CA C 16 59.799 59.692 0.107 1
1 194 . 8 1 1 A 18 18 SER CB C 16 63.999 61.176 2.823 1
1 195 . 8 1 1 A 18 18 SER N N 16 119.679 114.756 4.923 1
1 196 . 8 1 1 A 19 19 HIS H H 17 8.712 7.956 0.756 1
1 197 . 8 1 1 A 19 19 HIS HA H 17 4.777 4.669 0.108 1
1 202 . 8 1 1 A 19 19 HIS C C 17 174.580 175.244 -0.664 1
1 203 . 8 1 1 A 19 19 HIS CA C 17 56.240 56.077 0.163 1
1 204 . 8 1 1 A 19 19 HIS CB C 17 29.896 29.994 -0.098 1
1 207 . 8 1 1 A 19 19 HIS N N 17 120.269 120.618 -0.349 1
1 208 . 8 1 1 A 20 20 VAL H H 18 7.145 7.815 -0.670 1
1 209 . 8 1 1 A 20 20 VAL HA H 18 4.132 4.238 -0.106 1
1 217 . 8 1 1 A 20 20 VAL C C 18 174.138 175.275 -1.137 1
1 218 . 8 1 1 A 20 20 VAL CA C 18 61.605 61.941 -0.336 1
1 219 . 8 1 1 A 20 20 VAL CB C 18 34.102 33.057 1.045 1
1 221 . 8 1 1 A 20 20 VAL N N 18 120.100 120.388 -0.288 1
1 222 . 8 1 1 A 21 21 ALA H H 19 8.554 8.238 0.316 1
1 223 . 8 1 1 A 21 21 ALA HA H 19 4.353 4.229 0.124 1
1 227 . 8 1 1 A 21 21 ALA C C 19 177.514 177.398 0.116 1
1 228 . 8 1 1 A 21 21 ALA CA C 19 50.666 49.677 0.989 1
1 229 . 8 1 1 A 21 21 ALA CB C 19 19.648 22.087 -2.439 1
1 230 . 8 1 1 A 21 21 ALA N N 19 131.180 129.406 1.774 1
1 231 . 8 1 1 A 22 22 ARG H H 20 7.813 7.802 0.011 1
1 232 . 8 1 1 A 22 22 ARG HA H 20 2.621 2.633 -0.012 1
1 239 . 8 1 1 A 22 22 ARG C C 20 178.531 177.408 1.123 1
1 240 . 8 1 1 A 22 22 ARG CA C 20 59.155 58.851 0.304 1
1 241 . 8 1 1 A 22 22 ARG CB C 20 29.167 29.389 -0.222 1
1 244 . 8 1 1 A 22 22 ARG N N 20 124.436 119.349 5.087 1
1 245 . 8 1 1 A 23 23 ALA H H 21 8.191 7.533 0.658 1
1 246 . 8 1 1 A 23 23 ALA HA H 21 4.023 4.024 -0.001 1
1 250 . 8 1 1 A 23 23 ALA C C 21 177.743 178.791 -1.048 1
1 251 . 8 1 1 A 23 23 ALA CA C 21 53.809 53.563 0.246 1
1 252 . 8 1 1 A 23 23 ALA CB C 21 18.712 18.297 0.415 1
1 253 . 8 1 1 A 23 23 ALA N N 21 117.354 119.999 -2.645 1
1 254 . 8 1 1 A 24 24 ASN H H 22 7.738 7.544 0.194 1
1 255 . 8 1 1 A 24 24 ASN HA H 22 4.928 4.689 0.239 1
1 260 . 8 1 1 A 24 24 ASN C C 22 174.889 175.433 -0.544 1
1 261 . 8 1 1 A 24 24 ASN CA C 22 52.590 53.442 -0.852 1
1 262 . 8 1 1 A 24 24 ASN CB C 22 40.335 38.805 1.530 1
1 263 . 8 1 1 A 24 24 ASN N N 22 112.797 115.650 -2.853 1
1 265 . 8 1 1 A 25 25 VAL H H 23 7.438 7.244 0.194 1
1 266 . 8 1 1 A 25 25 VAL HA H 23 4.349 4.450 -0.101 1
1 274 . 8 1 1 A 25 25 VAL C C 23 174.594 175.957 -1.363 1
1 275 . 8 1 1 A 25 25 VAL CA C 23 62.406 62.525 -0.119 1
1 276 . 8 1 1 A 25 25 VAL CB C 23 33.445 32.146 1.299 1
1 278 . 8 1 1 A 25 25 VAL N N 23 118.653 119.953 -1.300 1
1 279 . 8 1 1 A 26 26 LYS H H 24 9.262 9.451 -0.189 1
1 280 . 8 1 1 A 26 26 LYS HA H 24 4.394 4.533 -0.139 1
1 289 . 8 1 1 A 26 26 LYS C C 24 175.247 176.412 -1.165 1
1 290 . 8 1 1 A 26 26 LYS CA C 24 56.483 56.939 -0.456 1
1 291 . 8 1 1 A 26 26 LYS CB C 24 35.022 34.005 1.017 1
1 295 . 8 1 1 A 26 26 LYS N N 24 125.308 122.086 3.222 1
1 296 . 8 1 1 A 27 27 HIS H H 25 7.749 7.116 0.633 1
1 297 . 8 1 1 A 27 27 HIS HA H 25 4.625 4.887 -0.262 1
1 302 . 8 1 1 A 27 27 HIS C C 25 173.157 172.701 0.456 1
1 303 . 8 1 1 A 27 27 HIS CA C 25 55.916 56.184 -0.268 1
1 304 . 8 1 1 A 27 27 HIS CB C 25 32.808 32.932 -0.124 1
1 307 . 8 1 1 A 27 27 HIS N N 25 115.509 118.170 -2.661 1
1 308 . 8 1 1 A 28 28 LEU H H 26 8.117 8.566 -0.449 1
1 309 . 8 1 1 A 28 28 LEU HA H 26 4.990 5.034 -0.044 1
1 319 . 8 1 1 A 28 28 LEU C C 26 175.514 175.196 0.318 1
1 320 . 8 1 1 A 28 28 LEU CA C 26 54.662 52.989 1.673 1
1 321 . 8 1 1 A 28 28 LEU CB C 26 45.594 43.899 1.695 1
1 325 . 8 1 1 A 29 29 LYS H H 27 9.028 9.797 -0.769 1
1 326 . 8 1 1 A 29 29 LYS HA H 27 4.585 5.002 -0.417 1
1 335 . 8 1 1 A 29 29 LYS C C 27 173.758 174.981 -1.223 1
1 336 . 8 1 1 A 29 29 LYS CA C 27 54.945 54.951 -0.006 1
1 337 . 8 1 1 A 29 29 LYS CB C 27 36.358 34.221 2.137 1
1 341 . 8 1 1 A 29 29 LYS N N 27 122.904 125.568 -2.664 1
1 342 . 8 1 1 A 30 30 ILE H H 28 8.540 9.175 -0.635 1
1 343 . 8 1 1 A 30 30 ILE HA H 28 4.626 4.781 -0.155 1
1 353 . 8 1 1 A 30 30 ILE C C 28 175.988 174.486 1.502 1
1 354 . 8 1 1 A 30 30 ILE CA C 28 60.122 60.385 -0.263 1
1 355 . 8 1 1 A 30 30 ILE CB C 28 38.795 38.816 -0.021 1
1 359 . 8 1 1 A 30 30 ILE N N 28 123.517 129.354 -5.837 1
1 360 . 8 1 1 A 31 31 LEU H H 29 8.961 9.117 -0.156 1
1 361 . 8 1 1 A 31 31 LEU HA H 29 4.564 5.265 -0.701 1
1 371 . 8 1 1 A 31 31 LEU C C 29 176.005 175.070 0.935 1
1 372 . 8 1 1 A 31 31 LEU CA C 29 53.975 53.430 0.545 1
1 373 . 8 1 1 A 31 31 LEU CB C 29 43.485 46.021 -2.536 1
1 376 . 8 1 1 A 31 31 LEU N N 29 128.881 130.188 -1.307 1
1 377 . 8 1 1 A 32 32 ASN H H 30 8.763 9.116 -0.353 1
1 378 . 8 1 1 A 32 32 ASN HA H 30 4.991 5.744 -0.753 1
1 383 . 8 1 1 A 32 32 ASN C C 30 174.462 174.012 0.450 1
1 384 . 8 1 1 A 32 32 ASN CA C 30 52.413 51.457 0.956 1
1 385 . 8 1 1 A 32 32 ASN CB C 30 39.238 41.862 -2.624 1
1 386 . 8 1 1 A 32 32 ASN N N 30 124.019 122.873 1.146 1
1 388 . 8 1 1 A 33 33 THR H H 31 8.170 8.250 -0.080 1
1 389 . 8 1 1 A 33 33 THR HA H 31 4.628 4.841 -0.213 1
1 394 . 8 1 1 A 33 33 THR CA C 31 59.475 59.164 0.311 1
1 395 . 8 1 1 A 33 33 THR CB C 31 70.435 71.975 -1.540 1
1 397 . 8 1 1 A 33 33 THR N N 31 119.276 114.531 4.745 1
1 398 . 8 1 1 A 34 34 PRO HA H 32 4.223 4.306 -0.083 1
1 405 . 8 1 1 A 34 34 PRO C C 32 176.814 177.656 -0.842 1
1 406 . 8 1 1 A 34 34 PRO CA C 32 64.445 65.324 -0.879 1
1 407 . 8 1 1 A 34 34 PRO CB C 32 32.161 31.803 0.358 1
1 410 . 8 1 1 A 35 35 ASN H H 33 8.574 8.398 0.176 1
1 411 . 8 1 1 A 35 35 ASN HA H 33 4.320 4.579 -0.259 1
1 416 . 8 1 1 A 35 35 ASN C C 33 174.344 175.860 -1.516 1
1 417 . 8 1 1 A 35 35 ASN CA C 33 54.945 53.707 1.238 1
1 418 . 8 1 1 A 35 35 ASN CB C 33 38.122 38.186 -0.064 1
1 419 . 8 1 1 A 35 35 ASN N N 33 113.042 114.308 -1.266 1
1 421 . 8 1 1 A 36 36 CYS H H 34 7.554 7.577 -0.023 1
1 422 . 8 1 1 A 36 36 CYS HA H 34 4.891 4.764 0.127 1
1 425 . 8 1 1 A 36 36 CYS C C 34 173.880 173.934 -0.054 1
1 426 . 8 1 1 A 36 36 CYS CA C 34 54.622 55.408 -0.786 1
1 427 . 8 1 1 A 36 36 CYS CB C 34 44.780 43.556 1.224 1
1 428 . 8 1 1 A 36 36 CYS N N 34 116.301 116.253 0.048 1
1 429 . 8 1 1 A 37 37 ALA H H 35 8.418 7.924 0.494 1
1 430 . 8 1 1 A 37 37 ALA HA H 35 4.237 4.063 0.174 1
1 434 . 8 1 1 A 37 37 ALA C C 35 176.677 176.465 0.212 1
1 435 . 8 1 1 A 37 37 ALA CA C 35 52.413 54.389 -1.976 1
1 436 . 8 1 1 A 37 37 ALA CB C 35 18.992 17.977 1.015 1
1 437 . 8 1 1 A 37 37 ALA N N 35 125.001 121.458 3.543 1
1 438 . 8 1 1 A 38 38 LEU H H 36 8.060 8.373 -0.313 1
1 439 . 8 1 1 A 38 38 LEU HA H 36 4.203 4.565 -0.362 1
1 449 . 8 1 1 A 38 38 LEU C C 36 176.194 175.313 0.881 1
1 450 . 8 1 1 A 38 38 LEU CA C 36 56.563 55.234 1.329 1
1 451 . 8 1 1 A 38 38 LEU CB C 36 42.488 42.547 -0.059 1
1 455 . 8 1 1 A 38 38 LEU N N 36 121.548 121.778 -0.230 1
1 456 . 8 1 1 A 39 39 GLN H H 37 8.434 9.332 -0.898 1
1 457 . 8 1 1 A 39 39 GLN HA H 37 4.623 5.009 -0.386 1
1 464 . 8 1 1 A 39 39 GLN C C 37 173.581 174.923 -1.342 1
1 465 . 8 1 1 A 39 39 GLN CA C 37 54.109 54.511 -0.402 1
1 466 . 8 1 1 A 39 39 GLN CB C 37 32.286 30.659 1.627 1
1 468 . 8 1 1 A 39 39 GLN N N 37 123.271 125.055 -1.784 1
1 470 . 8 1 1 A 40 40 ILE H H 38 9.408 8.451 0.957 1
1 471 . 8 1 1 A 40 40 ILE HA H 38 4.735 5.119 -0.384 1
1 481 . 8 1 1 A 40 40 ILE C C 38 174.547 175.603 -1.056 1
1 482 . 8 1 1 A 40 40 ILE CA C 38 60.122 60.240 -0.118 1
1 483 . 8 1 1 A 40 40 ILE CB C 38 38.899 39.492 -0.593 1
1 487 . 8 1 1 A 40 40 ILE N N 38 124.702 125.752 -1.050 1
1 488 . 8 1 1 A 41 41 VAL H H 39 8.826 9.360 -0.534 1
1 489 . 8 1 1 A 41 41 VAL HA H 39 5.041 4.988 0.053 1
1 497 . 8 1 1 A 41 41 VAL C C 39 174.772 174.815 -0.043 1
1 498 . 8 1 1 A 41 41 VAL CA C 39 60.111 61.194 -1.083 1
1 499 . 8 1 1 A 41 41 VAL CB C 39 34.767 33.753 1.014 1
1 501 . 8 1 1 A 41 41 VAL N N 39 124.047 127.800 -3.753 1
1 502 . 8 1 1 A 42 42 ALA H H 40 9.299 9.542 -0.243 1
1 503 . 8 1 1 A 42 42 ALA HA H 40 5.276 5.503 -0.227 1
1 507 . 8 1 1 A 42 42 ALA C C 40 175.955 176.089 -0.134 1
1 508 . 8 1 1 A 42 42 ALA CA C 40 50.093 50.504 -0.411 1
1 509 . 8 1 1 A 42 42 ALA CB C 40 23.800 23.993 -0.193 1
1 510 . 8 1 1 A 42 42 ALA N N 40 126.567 128.922 -2.355 1
1 511 . 8 1 1 A 43 43 ARG H H 41 8.398 8.971 -0.573 1
1 512 . 8 1 1 A 43 43 ARG HA H 41 5.131 5.004 0.127 1
1 519 . 8 1 1 A 43 43 ARG C C 41 176.184 175.356 0.828 1
1 520 . 8 1 1 A 43 43 ARG CA C 41 53.900 55.836 -1.936 1
1 521 . 8 1 1 A 43 43 ARG CB C 41 32.161 31.765 0.396 1
1 524 . 8 1 1 A 43 43 ARG N N 41 118.991 120.324 -1.333 1
1 525 . 8 1 1 A 44 44 LEU H H 42 8.988 9.435 -0.447 1
1 526 . 8 1 1 A 44 44 LEU HA H 42 4.925 5.173 -0.248 1
1 536 . 8 1 1 A 44 44 LEU C C 42 178.369 176.506 1.863 1
1 537 . 8 1 1 A 44 44 LEU CA C 42 54.329 53.458 0.871 1
1 538 . 8 1 1 A 44 44 LEU CB C 42 41.497 43.508 -2.011 1
1 542 . 8 1 1 A 44 44 LEU N N 42 125.637 125.286 0.351 1
1 543 . 8 1 1 A 45 45 LYS H H 43 8.470 9.514 -1.044 1
1 544 . 8 1 1 A 45 45 LYS HA H 43 3.823 4.246 -0.423 1
1 553 . 8 1 1 A 45 45 LYS CA C 43 59.340 58.427 0.913 1
1 554 . 8 1 1 A 45 45 LYS CB C 43 33.445 32.998 0.447 1
1 558 . 8 1 1 A 45 45 LYS N N 43 120.489 122.886 -2.397 1
1 559 . 8 1 1 A 46 46 ASN HA H 44 4.421 4.598 -0.177 1
1 564 . 8 1 1 A 46 46 ASN C C 44 175.970 176.289 -0.319 1
1 565 . 8 1 1 A 46 46 ASN CA C 44 55.457 55.252 0.205 1
1 566 . 8 1 1 A 46 46 ASN CB C 44 37.507 38.690 -1.183 1
1 568 . 8 1 1 A 47 47 ASN H H 45 7.483 7.956 -0.473 1
1 569 . 8 1 1 A 47 47 ASN HA H 45 4.706 4.796 -0.090 1
1 574 . 8 1 1 A 47 47 ASN C C 45 175.461 175.637 -0.176 1
1 575 . 8 1 1 A 47 47 ASN CA C 45 52.769 52.730 0.039 1
1 576 . 8 1 1 A 47 47 ASN CB C 45 39.194 39.469 -0.275 1
1 577 . 8 1 1 A 47 47 ASN N N 45 115.277 114.566 0.711 1
1 579 . 8 1 1 A 48 48 ASN H H 46 7.995 8.311 -0.316 1
1 580 . 8 1 1 A 48 48 ASN HA H 46 4.661 4.473 0.188 1
1 585 . 8 1 1 A 48 48 ASN C C 46 174.812 174.470 0.342 1
1 586 . 8 1 1 A 48 48 ASN CA C 46 54.298 54.614 -0.316 1
1 587 . 8 1 1 A 48 48 ASN CB C 46 39.103 38.068 1.035 1
1 588 . 8 1 1 A 48 48 ASN N N 46 116.416 117.038 -0.622 1
1 590 . 8 1 1 A 49 49 ARG H H 47 7.940 7.910 0.030 1
1 591 . 8 1 1 A 49 49 ARG HA H 47 4.205 4.789 -0.584 1
1 598 . 8 1 1 A 49 49 ARG C C 47 175.719 174.950 0.769 1
1 599 . 8 1 1 A 49 49 ARG CA C 47 57.084 55.197 1.887 1
1 600 . 8 1 1 A 49 49 ARG CB C 47 31.792 32.268 -0.476 1
1 603 . 8 1 1 A 49 49 ARG N N 47 120.017 119.696 0.321 1
1 604 . 8 1 1 A 50 50 GLN H H 48 8.641 8.706 -0.065 1
1 605 . 8 1 1 A 50 50 GLN HA H 48 5.240 5.407 -0.167 1
1 612 . 8 1 1 A 50 50 GLN C C 48 175.697 174.909 0.788 1
1 613 . 8 1 1 A 50 50 GLN CA C 48 55.454 54.479 0.975 1
1 614 . 8 1 1 A 50 50 GLN CB C 48 30.959 31.146 -0.187 1
1 616 . 8 1 1 A 50 50 GLN N N 48 123.029 121.281 1.748 1
1 618 . 8 1 1 A 51 51 VAL H H 49 9.018 9.384 -0.366 1
1 619 . 8 1 1 A 51 51 VAL HA H 49 4.745 4.651 0.094 1
1 627 . 8 1 1 A 51 51 VAL C C 49 174.561 174.621 -0.060 1
1 628 . 8 1 1 A 51 51 VAL CA C 49 59.266 60.013 -0.747 1
1 629 . 8 1 1 A 51 51 VAL CB C 49 35.845 35.617 0.228 1
1 632 . 8 1 1 A 51 51 VAL N N 49 119.358 125.448 -6.090 1
1 633 . 8 1 1 A 52 52 CYS H H 50 8.895 8.654 0.241 1
1 634 . 8 1 1 A 52 52 CYS HA H 50 5.636 5.092 0.544 1
1 637 . 8 1 1 A 52 52 CYS C C 50 174.469 173.951 0.518 1
1 638 . 8 1 1 A 52 52 CYS CA C 50 56.377 56.084 0.293 1
1 639 . 8 1 1 A 52 52 CYS CB C 50 44.680 42.162 2.518 1
1 640 . 8 1 1 A 52 52 CYS N N 50 120.834 122.784 -1.950 1
1 641 . 8 1 1 A 53 53 ILE H H 51 8.615 9.817 -1.202 1
1 642 . 8 1 1 A 53 53 ILE HA H 51 4.512 4.554 -0.042 1
1 652 . 8 1 1 A 53 53 ILE C C 51 174.137 174.454 -0.317 1
1 653 . 8 1 1 A 53 53 ILE CA C 51 59.397 60.175 -0.778 1
1 654 . 8 1 1 A 53 53 ILE CB C 51 39.603 40.154 -0.551 1
1 658 . 8 1 1 A 53 53 ILE N N 51 122.392 126.901 -4.509 1
1 659 . 8 1 1 A 54 54 ASP H H 52 7.766 8.396 -0.630 1
1 660 . 8 1 1 A 54 54 ASP HA H 52 3.572 3.703 -0.131 1
1 663 . 8 1 1 A 54 54 ASP CA C 52 51.578 51.330 0.248 1
1 664 . 8 1 1 A 54 54 ASP CB C 52 42.381 42.095 0.286 1
1 665 . 8 1 1 A 54 54 ASP N N 52 126.398 126.119 0.279 1
1 666 . 8 1 1 A 55 55 PRO HA H 53 4.011 4.234 -0.223 1
1 673 . 8 1 1 A 55 55 PRO C C 53 176.274 177.402 -1.128 1
1 674 . 8 1 1 A 55 55 PRO CA C 53 63.546 63.967 -0.421 1
1 675 . 8 1 1 A 55 55 PRO CB C 53 32.270 31.701 0.569 1
1 678 . 8 1 1 A 56 56 LYS H H 54 8.053 8.113 -0.060 1
1 679 . 8 1 1 A 56 56 LYS HA H 54 3.982 4.252 -0.270 1
1 688 . 8 1 1 A 56 56 LYS C C 54 177.867 176.609 1.258 1
1 689 . 8 1 1 A 56 56 LYS CA C 54 56.189 56.571 -0.382 1
1 690 . 8 1 1 A 56 56 LYS CB C 54 31.649 32.904 -1.255 1
1 694 . 8 1 1 A 56 56 LYS N N 54 115.161 116.128 -0.967 1
1 695 . 8 1 1 A 57 57 LEU H H 55 7.145 7.077 0.068 1
1 696 . 8 1 1 A 57 57 LEU HA H 55 4.027 4.132 -0.105 1
1 706 . 8 1 1 A 57 57 LEU C C 55 179.221 177.500 1.721 1
1 707 . 8 1 1 A 57 57 LEU CA C 55 14.371 55.298 -40.927 1
1 708 . 8 1 1 A 57 57 LEU CB C 55 41.739 41.734 0.005 1
1 712 . 8 1 1 A 57 57 LEU N N 55 120.921 121.613 -0.692 1
1 713 . 8 1 1 A 58 58 LYS H H 56 8.798 8.831 -0.033 1
1 714 . 8 1 1 A 58 58 LYS HA H 56 3.937 3.998 -0.061 1
1 723 . 8 1 1 A 58 58 LYS C C 56 179.161 178.404 0.757 1
1 724 . 8 1 1 A 58 58 LYS CA C 56 60.116 59.332 0.784 1
1 725 . 8 1 1 A 58 58 LYS CB C 56 32.100 32.141 -0.041 1
1 729 . 8 1 1 A 58 58 LYS N N 56 125.449 125.109 0.340 1
1 730 . 8 1 1 A 59 59 TRP H H 57 7.821 8.233 -0.412 1
1 731 . 8 1 1 A 59 59 TRP HA H 57 4.636 4.541 0.095 1
1 740 . 8 1 1 A 59 59 TRP C C 57 178.642 179.457 -0.815 1
1 741 . 8 1 1 A 59 59 TRP CA C 57 58.388 59.756 -1.368 1
1 742 . 8 1 1 A 59 59 TRP CB C 57 27.954 28.200 -0.246 1
1 748 . 8 1 1 A 59 59 TRP N N 57 113.650 119.450 -5.800 1
1 750 . 8 1 1 A 60 60 ILE H H 58 6.340 7.468 -1.128 1
1 751 . 8 1 1 A 60 60 ILE HA H 58 3.620 3.300 0.320 1
1 761 . 8 1 1 A 60 60 ILE C C 58 177.104 177.694 -0.590 1
1 762 . 8 1 1 A 60 60 ILE CA C 58 61.605 64.494 -2.889 1
1 763 . 8 1 1 A 60 60 ILE CB C 58 36.043 36.587 -0.544 1
1 767 . 8 1 1 A 60 60 ILE N N 58 123.265 122.210 1.055 1
1 768 . 8 1 1 A 61 61 GLN H H 59 7.710 8.330 -0.620 1
1 769 . 8 1 1 A 61 61 GLN HA H 59 3.824 3.875 -0.051 1
1 776 . 8 1 1 A 61 61 GLN C C 59 178.933 178.837 0.096 1
1 777 . 8 1 1 A 61 61 GLN CA C 59 59.663 59.381 0.282 1
1 778 . 8 1 1 A 61 61 GLN CB C 59 27.972 28.291 -0.319 1
1 780 . 8 1 1 A 61 61 GLN N N 59 120.515 119.153 1.362 1
1 782 . 8 1 1 A 62 62 GLU H H 60 8.042 7.752 0.290 1
1 783 . 8 1 1 A 62 62 GLU HA H 60 4.093 4.074 0.019 1
1 788 . 8 1 1 A 62 62 GLU C C 60 178.539 178.872 -0.333 1
1 789 . 8 1 1 A 62 62 GLU CA C 60 59.152 59.261 -0.109 1
1 790 . 8 1 1 A 62 62 GLU CB C 60 29.896 29.485 0.411 1
1 792 . 8 1 1 A 62 62 GLU N N 60 117.976 120.208 -2.232 1
1 793 . 8 1 1 A 63 63 TYR H H 61 7.882 8.450 -0.568 1
1 794 . 8 1 1 A 63 63 TYR HA H 61 4.214 4.205 0.009 1
1 801 . 8 1 1 A 63 63 TYR C C 61 178.157 177.408 0.749 1
1 802 . 8 1 1 A 63 63 TYR CA C 61 61.281 61.624 -0.343 1
1 803 . 8 1 1 A 63 63 TYR CB C 61 38.956 38.698 0.258 1
1 806 . 8 1 1 A 63 63 TYR N N 61 120.743 122.565 -1.822 1
1 807 . 8 1 1 A 64 64 LEU H H 62 8.438 8.595 -0.157 1
1 808 . 8 1 1 A 64 64 LEU HA H 62 3.886 3.626 0.260 1
1 818 . 8 1 1 A 64 64 LEU C C 62 178.678 179.211 -0.533 1
1 819 . 8 1 1 A 64 64 LEU CA C 62 57.619 58.125 -0.506 1
1 820 . 8 1 1 A 64 64 LEU CB C 62 41.868 41.474 0.394 1
1 824 . 8 1 1 A 64 64 LEU N N 62 119.052 120.090 -1.038 1
1 825 . 8 1 1 A 65 65 GLU H H 63 7.884 8.731 -0.847 1
1 826 . 8 1 1 A 65 65 GLU HA H 63 3.998 4.099 -0.101 1
1 831 . 8 1 1 A 65 65 GLU C C 63 178.447 177.303 1.144 1
1 832 . 8 1 1 A 65 65 GLU CA C 63 59.143 57.910 1.233 1
1 833 . 8 1 1 A 65 65 GLU CB C 63 29.708 28.252 1.456 1
1 835 . 8 1 1 A 65 65 GLU N N 63 118.310 117.912 0.398 1
1 836 . 8 1 1 A 66 66 LYS H H 64 7.576 7.501 0.075 1
1 837 . 8 1 1 A 66 66 LYS HA H 64 4.208 4.347 -0.139 1
1 846 . 8 1 1 A 66 66 LYS C C 64 177.941 178.134 -0.193 1
1 847 . 8 1 1 A 66 66 LYS CA C 64 57.543 57.345 0.198 1
1 848 . 8 1 1 A 66 66 LYS CB C 64 32.620 33.871 -1.251 1
1 852 . 8 1 1 A 66 66 LYS N N 64 117.398 119.099 -1.701 1
1 853 . 8 1 1 A 67 67 ALA H H 65 7.934 8.124 -0.190 1
1 854 . 8 1 1 A 67 67 ALA HA H 65 4.106 4.067 0.039 1
1 858 . 8 1 1 A 67 67 ALA C C 65 178.624 179.648 -1.024 1
1 859 . 8 1 1 A 67 67 ALA CA C 65 53.790 54.358 -0.568 1
1 860 . 8 1 1 A 67 67 ALA CB C 65 19.106 18.256 0.850 1
1 861 . 8 1 1 A 67 67 ALA N N 65 121.561 121.628 -0.067 1
1 862 . 8 1 1 A 68 68 LEU H H 66 7.835 7.597 0.238 1
1 863 . 8 1 1 A 68 68 LEU HA H 66 4.268 3.991 0.277 1
1 873 . 8 1 1 A 68 68 LEU CA C 66 55.593 56.797 -1.204 1
1 874 . 8 1 1 A 68 68 LEU CB C 66 42.191 41.849 0.342 1
1 877 . 8 1 1 A 68 68 LEU N N 66 117.270 119.951 -2.681 1
1 878 . 8 1 1 A 69 69 ASN H H 67 7.914 7.829 0.085 1
1 879 . 8 1 1 A 69 69 ASN HA H 67 4.731 4.349 0.382 1
1 884 . 8 1 1 A 69 69 ASN C C 67 174.039 175.418 -1.379 1
1 885 . 8 1 1 A 69 69 ASN CA C 67 53.328 56.576 -3.248 1
1 886 . 8 1 1 A 69 69 ASN CB C 67 39.091 38.726 0.365 1
1 887 . 8 1 1 A 69 69 ASN N N 67 118.309 118.503 -0.194 1
1 18 . 9 1 1 A 4 4 PRO HA H 2 4.447 4.813 -0.366 1
1 25 . 9 1 1 A 4 4 PRO C C 2 176.996 175.925 1.071 1
1 26 . 9 1 1 A 4 4 PRO CA C 2 63.494 62.231 1.263 1
1 27 . 9 1 1 A 4 4 PRO CB C 2 32.161 29.592 2.569 1
1 30 . 9 1 1 A 5 5 VAL H H 3 8.292 8.461 -0.169 1
1 31 . 9 1 1 A 5 5 VAL HA H 3 4.074 4.107 -0.033 1
1 39 . 9 1 1 A 5 5 VAL C C 3 176.376 175.965 0.411 1
1 40 . 9 1 1 A 5 5 VAL CA C 3 62.495 61.859 0.636 1
1 41 . 9 1 1 A 5 5 VAL CB C 3 32.808 30.837 1.971 1
1 43 . 9 1 1 A 5 5 VAL N N 3 121.008 124.053 -3.045 1
1 44 . 9 1 1 A 6 6 SER H H 4 8.313 8.274 0.039 1
1 45 . 9 1 1 A 6 6 SER HA H 4 4.419 4.839 -0.420 1
1 48 . 9 1 1 A 6 6 SER C C 4 174.577 175.035 -0.458 1
1 49 . 9 1 1 A 6 6 SER CA C 4 58.148 58.332 -0.184 1
1 50 . 9 1 1 A 6 6 SER CB C 4 63.870 65.951 -2.081 1
1 51 . 9 1 1 A 6 6 SER N N 4 119.573 121.360 -1.787 1
1 52 . 9 1 1 A 7 7 LEU H H 5 8.326 8.146 0.180 1
1 53 . 9 1 1 A 7 7 LEU HA H 5 4.342 4.004 0.338 1
1 63 . 9 1 1 A 7 7 LEU C C 5 177.341 175.213 2.128 1
1 64 . 9 1 1 A 7 7 LEU CA C 5 55.388 57.616 -2.228 1
1 65 . 9 1 1 A 7 7 LEU CB C 5 42.650 40.630 2.020 1
1 68 . 9 1 1 A 7 7 LEU N N 5 125.039 119.306 5.733 1
1 69 . 9 1 1 A 8 8 SER H H 6 8.157 8.018 0.139 1
1 70 . 9 1 1 A 8 8 SER HA H 6 4.360 4.664 -0.304 1
1 73 . 9 1 1 A 8 8 SER C C 6 174.189 172.080 2.109 1
1 74 . 9 1 1 A 8 8 SER CA C 6 58.433 57.570 0.863 1
1 75 . 9 1 1 A 8 8 SER CB C 6 63.870 65.728 -1.858 1
1 76 . 9 1 1 A 8 8 SER N N 6 116.154 111.893 4.261 1
1 77 . 9 1 1 A 9 9 TYR H H 7 8.017 8.582 -0.565 1
1 78 . 9 1 1 A 9 9 TYR HA H 7 4.512 5.561 -1.049 1
1 85 . 9 1 1 A 9 9 TYR C C 7 175.520 175.804 -0.284 1
1 86 . 9 1 1 A 9 9 TYR CA C 7 58.008 55.504 2.504 1
1 87 . 9 1 1 A 9 9 TYR CB C 7 38.956 40.853 -1.897 1
1 90 . 9 1 1 A 9 9 TYR N N 7 122.213 123.684 -1.471 1
1 91 . 9 1 1 A 10 10 ARG H H 8 8.152 8.646 -0.494 1
1 92 . 9 1 1 A 10 10 ARG HA H 8 4.260 4.211 0.049 1
1 99 . 9 1 1 A 10 10 ARG C C 8 175.918 176.352 -0.434 1
1 100 . 9 1 1 A 10 10 ARG CA C 8 56.104 57.559 -1.455 1
1 101 . 9 1 1 A 10 10 ARG CB C 8 30.875 30.660 0.215 1
1 104 . 9 1 1 A 10 10 ARG N N 8 122.182 122.214 -0.032 1
1 105 . 9 1 1 A 11 11 CYS H H 9 8.132 7.737 0.395 1
1 106 . 9 1 1 A 11 11 CYS HA H 9 4.935 4.790 0.145 1
1 109 . 9 1 1 A 11 11 CYS C C 9 173.615 173.351 0.264 1
1 110 . 9 1 1 A 11 11 CYS CA C 9 53.127 54.236 -1.109 1
1 111 . 9 1 1 A 11 11 CYS CB C 9 40.201 43.496 -3.295 1
1 112 . 9 1 1 A 11 11 CYS N N 9 121.280 118.397 2.883 1
1 113 . 9 1 1 A 12 12 PRO HA H 10 4.290 4.558 -0.268 1
1 120 . 9 1 1 A 12 12 PRO C C 10 177.703 176.600 1.103 1
1 121 . 9 1 1 A 12 12 PRO CA C 10 64.835 65.389 -0.554 1
1 122 . 9 1 1 A 12 12 PRO CB C 10 32.484 31.474 1.010 1
1 125 . 9 1 1 A 13 13 CYS H H 11 8.300 8.334 -0.034 1
1 126 . 9 1 1 A 13 13 CYS HA H 11 4.891 4.678 0.213 1
1 129 . 9 1 1 A 13 13 CYS C C 11 174.202 173.037 1.165 1
1 130 . 9 1 1 A 13 13 CYS CA C 11 53.480 54.702 -1.222 1
1 131 . 9 1 1 A 13 13 CYS CB C 11 39.603 43.093 -3.490 1
1 132 . 9 1 1 A 13 13 CYS N N 11 114.161 116.640 -2.479 1
1 133 . 9 1 1 A 14 14 ARG HA H 12 3.963 4.165 -0.202 1
1 140 . 9 1 1 A 14 14 ARG C C 12 175.202 175.143 0.059 1
1 141 . 9 1 1 A 14 14 ARG CA C 12 57.293 56.328 0.965 1
1 142 . 9 1 1 A 14 14 ARG CB C 12 31.099 31.590 -0.491 1
1 145 . 9 1 1 A 15 15 PHE H H 13 7.543 7.303 0.240 1
1 146 . 9 1 1 A 15 15 PHE HA H 13 4.496 4.861 -0.365 1
1 154 . 9 1 1 A 15 15 PHE C C 13 174.226 174.113 0.113 1
1 155 . 9 1 1 A 15 15 PHE CA C 13 55.971 56.188 -0.217 1
1 156 . 9 1 1 A 15 15 PHE CB C 13 41.032 40.196 0.836 1
1 160 . 9 1 1 A 15 15 PHE N N 13 116.175 117.407 -1.232 1
1 161 . 9 1 1 A 16 16 PHE H H 14 8.305 9.038 -0.733 1
1 162 . 9 1 1 A 16 16 PHE HA H 14 4.812 5.141 -0.329 1
1 170 . 9 1 1 A 16 16 PHE C C 14 175.247 175.982 -0.735 1
1 171 . 9 1 1 A 16 16 PHE CA C 14 55.559 56.742 -1.183 1
1 172 . 9 1 1 A 16 16 PHE CB C 14 41.220 41.411 -0.191 1
1 176 . 9 1 1 A 16 16 PHE N N 14 119.656 122.988 -3.332 1
1 177 . 9 1 1 A 17 17 GLU H H 15 8.879 9.340 -0.461 1
1 178 . 9 1 1 A 17 17 GLU HA H 15 4.536 3.973 0.563 1
1 183 . 9 1 1 A 17 17 GLU C C 15 176.747 176.654 0.093 1
1 184 . 9 1 1 A 17 17 GLU CA C 15 56.012 59.361 -3.349 1
1 185 . 9 1 1 A 17 17 GLU CB C 15 30.876 29.429 1.447 1
1 187 . 9 1 1 A 17 17 GLU N N 15 122.563 125.271 -2.708 1
1 188 . 9 1 1 A 18 18 SER H H 16 8.810 8.321 0.489 1
1 189 . 9 1 1 A 18 18 SER HA H 16 4.673 4.287 0.386 1
1 192 . 9 1 1 A 18 18 SER C C 16 174.278 173.842 0.436 1
1 193 . 9 1 1 A 18 18 SER CA C 16 59.799 59.892 -0.093 1
1 194 . 9 1 1 A 18 18 SER CB C 16 63.999 61.284 2.715 1
1 195 . 9 1 1 A 18 18 SER N N 16 119.679 114.865 4.814 1
1 196 . 9 1 1 A 19 19 HIS H H 17 8.712 7.908 0.804 1
1 197 . 9 1 1 A 19 19 HIS HA H 17 4.777 4.676 0.101 1
1 202 . 9 1 1 A 19 19 HIS C C 17 174.580 175.223 -0.643 1
1 203 . 9 1 1 A 19 19 HIS CA C 17 56.240 55.985 0.255 1
1 204 . 9 1 1 A 19 19 HIS CB C 17 29.896 29.830 0.066 1
1 207 . 9 1 1 A 19 19 HIS N N 17 120.269 120.564 -0.295 1
1 208 . 9 1 1 A 20 20 VAL H H 18 7.145 7.770 -0.625 1
1 209 . 9 1 1 A 20 20 VAL HA H 18 4.132 4.184 -0.052 1
1 217 . 9 1 1 A 20 20 VAL C C 18 174.138 175.255 -1.117 1
1 218 . 9 1 1 A 20 20 VAL CA C 18 61.605 61.727 -0.122 1
1 219 . 9 1 1 A 20 20 VAL CB C 18 34.102 32.800 1.302 1
1 221 . 9 1 1 A 20 20 VAL N N 18 120.100 120.061 0.039 1
1 222 . 9 1 1 A 21 21 ALA H H 19 8.554 8.425 0.129 1
1 223 . 9 1 1 A 21 21 ALA HA H 19 4.353 4.290 0.063 1
1 227 . 9 1 1 A 21 21 ALA C C 19 177.514 177.557 -0.043 1
1 228 . 9 1 1 A 21 21 ALA CA C 19 50.666 49.965 0.701 1
1 229 . 9 1 1 A 21 21 ALA CB C 19 19.648 21.279 -1.631 1
1 230 . 9 1 1 A 21 21 ALA N N 19 131.180 130.694 0.486 1
1 231 . 9 1 1 A 22 22 ARG H H 20 7.813 7.890 -0.077 1
1 232 . 9 1 1 A 22 22 ARG HA H 20 2.621 2.927 -0.306 1
1 239 . 9 1 1 A 22 22 ARG C C 20 178.531 177.508 1.023 1
1 240 . 9 1 1 A 22 22 ARG CA C 20 59.155 58.885 0.270 1
1 241 . 9 1 1 A 22 22 ARG CB C 20 29.167 29.324 -0.157 1
1 244 . 9 1 1 A 22 22 ARG N N 20 124.436 120.436 4.000 1
1 245 . 9 1 1 A 23 23 ALA H H 21 8.191 7.542 0.649 1
1 246 . 9 1 1 A 23 23 ALA HA H 21 4.023 3.974 0.049 1
1 250 . 9 1 1 A 23 23 ALA C C 21 177.743 178.918 -1.175 1
1 251 . 9 1 1 A 23 23 ALA CA C 21 53.809 54.067 -0.258 1
1 252 . 9 1 1 A 23 23 ALA CB C 21 18.712 18.089 0.623 1
1 253 . 9 1 1 A 23 23 ALA N N 21 117.354 120.361 -3.007 1
1 254 . 9 1 1 A 24 24 ASN H H 22 7.738 7.805 -0.067 1
1 255 . 9 1 1 A 24 24 ASN HA H 22 4.928 4.719 0.209 1
1 260 . 9 1 1 A 24 24 ASN C C 22 174.889 175.451 -0.562 1
1 261 . 9 1 1 A 24 24 ASN CA C 22 52.590 53.148 -0.558 1
1 262 . 9 1 1 A 24 24 ASN CB C 22 40.335 38.843 1.492 1
1 263 . 9 1 1 A 24 24 ASN N N 22 112.797 115.783 -2.986 1
1 265 . 9 1 1 A 25 25 VAL H H 23 7.438 7.183 0.255 1
1 266 . 9 1 1 A 25 25 VAL HA H 23 4.349 4.261 0.088 1
1 274 . 9 1 1 A 25 25 VAL C C 23 174.594 176.012 -1.418 1
1 275 . 9 1 1 A 25 25 VAL CA C 23 62.406 62.519 -0.113 1
1 276 . 9 1 1 A 25 25 VAL CB C 23 33.445 31.984 1.461 1
1 278 . 9 1 1 A 25 25 VAL N N 23 118.653 120.184 -1.531 1
1 279 . 9 1 1 A 26 26 LYS H H 24 9.262 9.535 -0.273 1
1 280 . 9 1 1 A 26 26 LYS HA H 24 4.394 4.290 0.104 1
1 289 . 9 1 1 A 26 26 LYS C C 24 175.247 175.815 -0.568 1
1 290 . 9 1 1 A 26 26 LYS CA C 24 56.483 57.884 -1.401 1
1 291 . 9 1 1 A 26 26 LYS CB C 24 35.022 33.776 1.246 1
1 295 . 9 1 1 A 26 26 LYS N N 24 125.308 130.038 -4.730 1
1 296 . 9 1 1 A 27 27 HIS H H 25 7.749 7.622 0.127 1
1 297 . 9 1 1 A 27 27 HIS HA H 25 4.625 4.912 -0.287 1
1 302 . 9 1 1 A 27 27 HIS C C 25 173.157 172.685 0.472 1
1 303 . 9 1 1 A 27 27 HIS CA C 25 55.916 55.607 0.309 1
1 304 . 9 1 1 A 27 27 HIS CB C 25 32.808 33.129 -0.321 1
1 307 . 9 1 1 A 27 27 HIS N N 25 115.509 117.067 -1.558 1
1 308 . 9 1 1 A 28 28 LEU H H 26 8.117 8.685 -0.568 1
1 309 . 9 1 1 A 28 28 LEU HA H 26 4.990 5.006 -0.016 1
1 319 . 9 1 1 A 28 28 LEU C C 26 175.514 174.800 0.714 1
1 320 . 9 1 1 A 28 28 LEU CA C 26 54.662 54.261 0.401 1
1 321 . 9 1 1 A 28 28 LEU CB C 26 45.594 44.105 1.489 1
1 325 . 9 1 1 A 29 29 LYS H H 27 9.028 9.540 -0.512 1
1 326 . 9 1 1 A 29 29 LYS HA H 27 4.585 4.984 -0.399 1
1 335 . 9 1 1 A 29 29 LYS C C 27 173.758 174.876 -1.118 1
1 336 . 9 1 1 A 29 29 LYS CA C 27 54.945 54.648 0.297 1
1 337 . 9 1 1 A 29 29 LYS CB C 27 36.358 35.073 1.285 1
1 341 . 9 1 1 A 29 29 LYS N N 27 122.904 126.672 -3.768 1
1 342 . 9 1 1 A 30 30 ILE H H 28 8.540 8.919 -0.379 1
1 343 . 9 1 1 A 30 30 ILE HA H 28 4.626 4.745 -0.119 1
1 353 . 9 1 1 A 30 30 ILE C C 28 175.988 175.514 0.474 1
1 354 . 9 1 1 A 30 30 ILE CA C 28 60.122 60.509 -0.387 1
1 355 . 9 1 1 A 30 30 ILE CB C 28 38.795 38.383 0.412 1
1 359 . 9 1 1 A 30 30 ILE N N 28 123.517 128.795 -5.278 1
1 360 . 9 1 1 A 31 31 LEU H H 29 8.961 9.270 -0.309 1
1 361 . 9 1 1 A 31 31 LEU HA H 29 4.564 5.202 -0.638 1
1 371 . 9 1 1 A 31 31 LEU C C 29 176.005 175.322 0.683 1
1 372 . 9 1 1 A 31 31 LEU CA C 29 53.975 53.618 0.357 1
1 373 . 9 1 1 A 31 31 LEU CB C 29 43.485 45.003 -1.518 1
1 376 . 9 1 1 A 31 31 LEU N N 29 128.881 128.141 0.740 1
1 377 . 9 1 1 A 32 32 ASN H H 30 8.763 8.828 -0.065 1
1 378 . 9 1 1 A 32 32 ASN HA H 30 4.991 5.489 -0.498 1
1 383 . 9 1 1 A 32 32 ASN C C 30 174.462 173.932 0.530 1
1 384 . 9 1 1 A 32 32 ASN CA C 30 52.413 51.856 0.557 1
1 385 . 9 1 1 A 32 32 ASN CB C 30 39.238 42.405 -3.167 1
1 386 . 9 1 1 A 32 32 ASN N N 30 124.019 122.285 1.734 1
1 388 . 9 1 1 A 33 33 THR H H 31 8.170 8.147 0.023 1
1 389 . 9 1 1 A 33 33 THR HA H 31 4.628 4.726 -0.098 1
1 394 . 9 1 1 A 33 33 THR CA C 31 59.475 58.801 0.674 1
1 395 . 9 1 1 A 33 33 THR CB C 31 70.435 70.726 -0.291 1
1 397 . 9 1 1 A 33 33 THR N N 31 119.276 119.646 -0.370 1
1 398 . 9 1 1 A 34 34 PRO HA H 32 4.223 4.256 -0.033 1
1 405 . 9 1 1 A 34 34 PRO C C 32 176.814 177.857 -1.043 1
1 406 . 9 1 1 A 34 34 PRO CA C 32 64.445 65.770 -1.325 1
1 407 . 9 1 1 A 34 34 PRO CB C 32 32.161 31.922 0.239 1
1 410 . 9 1 1 A 35 35 ASN H H 33 8.574 8.581 -0.007 1
1 411 . 9 1 1 A 35 35 ASN HA H 33 4.320 4.770 -0.450 1
1 416 . 9 1 1 A 35 35 ASN C C 33 174.344 174.529 -0.185 1
1 417 . 9 1 1 A 35 35 ASN CA C 33 54.945 53.303 1.642 1
1 418 . 9 1 1 A 35 35 ASN CB C 33 38.122 38.624 -0.502 1
1 419 . 9 1 1 A 35 35 ASN N N 33 113.042 113.814 -0.772 1
1 421 . 9 1 1 A 36 36 CYS H H 34 7.554 7.987 -0.433 1
1 422 . 9 1 1 A 36 36 CYS HA H 34 4.891 5.104 -0.213 1
1 425 . 9 1 1 A 36 36 CYS C C 34 173.880 172.659 1.221 1
1 426 . 9 1 1 A 36 36 CYS CA C 34 54.622 54.866 -0.244 1
1 427 . 9 1 1 A 36 36 CYS CB C 34 44.780 47.623 -2.843 1
1 428 . 9 1 1 A 36 36 CYS N N 34 116.301 116.628 -0.327 1
1 429 . 9 1 1 A 37 37 ALA H H 35 8.418 8.628 -0.210 1
1 430 . 9 1 1 A 37 37 ALA HA H 35 4.237 4.498 -0.261 1
1 434 . 9 1 1 A 37 37 ALA C C 35 176.677 177.371 -0.694 1
1 435 . 9 1 1 A 37 37 ALA CA C 35 52.413 50.272 2.141 1
1 436 . 9 1 1 A 37 37 ALA CB C 35 18.992 20.762 -1.770 1
1 437 . 9 1 1 A 37 37 ALA N N 35 125.001 124.222 0.779 1
1 438 . 9 1 1 A 38 38 LEU H H 36 8.060 8.567 -0.507 1
1 439 . 9 1 1 A 38 38 LEU HA H 36 4.203 4.382 -0.179 1
1 449 . 9 1 1 A 38 38 LEU C C 36 176.194 176.181 0.013 1
1 450 . 9 1 1 A 38 38 LEU CA C 36 56.563 55.085 1.478 1
1 451 . 9 1 1 A 38 38 LEU CB C 36 42.488 42.497 -0.009 1
1 455 . 9 1 1 A 38 38 LEU N N 36 121.548 119.241 2.307 1
1 456 . 9 1 1 A 39 39 GLN H H 37 8.434 9.067 -0.633 1
1 457 . 9 1 1 A 39 39 GLN HA H 37 4.623 5.245 -0.622 1
1 464 . 9 1 1 A 39 39 GLN C C 37 173.581 173.927 -0.346 1
1 465 . 9 1 1 A 39 39 GLN CA C 37 54.109 54.570 -0.461 1
1 466 . 9 1 1 A 39 39 GLN CB C 37 32.286 31.062 1.224 1
1 468 . 9 1 1 A 39 39 GLN N N 37 123.271 118.821 4.450 1
1 470 . 9 1 1 A 40 40 ILE H H 38 9.408 8.664 0.744 1
1 471 . 9 1 1 A 40 40 ILE HA H 38 4.735 4.830 -0.095 1
1 481 . 9 1 1 A 40 40 ILE C C 38 174.547 175.397 -0.850 1
1 482 . 9 1 1 A 40 40 ILE CA C 38 60.122 60.385 -0.263 1
1 483 . 9 1 1 A 40 40 ILE CB C 38 38.899 39.819 -0.920 1
1 487 . 9 1 1 A 40 40 ILE N N 38 124.702 126.403 -1.701 1
1 488 . 9 1 1 A 41 41 VAL H H 39 8.826 9.306 -0.480 1
1 489 . 9 1 1 A 41 41 VAL HA H 39 5.041 4.898 0.143 1
1 497 . 9 1 1 A 41 41 VAL C C 39 174.772 175.264 -0.492 1
1 498 . 9 1 1 A 41 41 VAL CA C 39 60.111 61.493 -1.382 1
1 499 . 9 1 1 A 41 41 VAL CB C 39 34.767 33.532 1.235 1
1 501 . 9 1 1 A 41 41 VAL N N 39 124.047 127.789 -3.742 1
1 502 . 9 1 1 A 42 42 ALA H H 40 9.299 9.519 -0.220 1
1 503 . 9 1 1 A 42 42 ALA HA H 40 5.276 6.204 -0.928 1
1 507 . 9 1 1 A 42 42 ALA C C 40 175.955 174.976 0.979 1
1 508 . 9 1 1 A 42 42 ALA CA C 40 50.093 50.267 -0.174 1
1 509 . 9 1 1 A 42 42 ALA CB C 40 23.800 23.501 0.299 1
1 510 . 9 1 1 A 42 42 ALA N N 40 126.567 129.384 -2.817 1
1 511 . 9 1 1 A 43 43 ARG H H 41 8.398 8.698 -0.300 1
1 512 . 9 1 1 A 43 43 ARG HA H 41 5.131 5.389 -0.258 1
1 519 . 9 1 1 A 43 43 ARG C C 41 176.184 175.058 1.126 1
1 520 . 9 1 1 A 43 43 ARG CA C 41 53.900 54.552 -0.652 1
1 521 . 9 1 1 A 43 43 ARG CB C 41 32.161 33.632 -1.471 1
1 524 . 9 1 1 A 43 43 ARG N N 41 118.991 121.850 -2.859 1
1 525 . 9 1 1 A 44 44 LEU H H 42 8.988 9.312 -0.324 1
1 526 . 9 1 1 A 44 44 LEU HA H 42 4.925 4.761 0.164 1
1 536 . 9 1 1 A 44 44 LEU C C 42 178.369 177.072 1.297 1
1 537 . 9 1 1 A 44 44 LEU CA C 42 54.329 54.466 -0.137 1
1 538 . 9 1 1 A 44 44 LEU CB C 42 41.497 42.201 -0.704 1
1 542 . 9 1 1 A 44 44 LEU N N 42 125.637 127.615 -1.978 1
1 543 . 9 1 1 A 45 45 LYS H H 43 8.470 9.204 -0.734 1
1 544 . 9 1 1 A 45 45 LYS HA H 43 3.823 3.935 -0.112 1
1 553 . 9 1 1 A 45 45 LYS CA C 43 59.340 59.795 -0.455 1
1 554 . 9 1 1 A 45 45 LYS CB C 43 33.445 32.336 1.109 1
1 558 . 9 1 1 A 45 45 LYS N N 43 120.489 122.399 -1.910 1
1 559 . 9 1 1 A 46 46 ASN HA H 44 4.421 4.601 -0.180 1
1 564 . 9 1 1 A 46 46 ASN C C 44 175.970 176.848 -0.878 1
1 565 . 9 1 1 A 46 46 ASN CA C 44 55.457 55.465 -0.008 1
1 566 . 9 1 1 A 46 46 ASN CB C 44 37.507 38.928 -1.421 1
1 568 . 9 1 1 A 47 47 ASN H H 45 7.483 8.019 -0.536 1
1 569 . 9 1 1 A 47 47 ASN HA H 45 4.706 4.785 -0.079 1
1 574 . 9 1 1 A 47 47 ASN C C 45 175.461 175.268 0.193 1
1 575 . 9 1 1 A 47 47 ASN CA C 45 52.769 52.868 -0.099 1
1 576 . 9 1 1 A 47 47 ASN CB C 45 39.194 39.279 -0.085 1
1 577 . 9 1 1 A 47 47 ASN N N 45 115.277 114.327 0.950 1
1 579 . 9 1 1 A 48 48 ASN H H 46 7.995 8.198 -0.203 1
1 580 . 9 1 1 A 48 48 ASN HA H 46 4.661 4.513 0.148 1
1 585 . 9 1 1 A 48 48 ASN C C 46 174.812 174.803 0.009 1
1 586 . 9 1 1 A 48 48 ASN CA C 46 54.298 54.547 -0.249 1
1 587 . 9 1 1 A 48 48 ASN CB C 46 39.103 38.244 0.859 1
1 588 . 9 1 1 A 48 48 ASN N N 46 116.416 117.108 -0.692 1
1 590 . 9 1 1 A 49 49 ARG H H 47 7.940 7.823 0.117 1
1 591 . 9 1 1 A 49 49 ARG HA H 47 4.205 4.543 -0.338 1
1 598 . 9 1 1 A 49 49 ARG C C 47 175.719 174.919 0.800 1
1 599 . 9 1 1 A 49 49 ARG CA C 47 57.084 55.818 1.266 1
1 600 . 9 1 1 A 49 49 ARG CB C 47 31.792 31.485 0.307 1
1 603 . 9 1 1 A 49 49 ARG N N 47 120.017 117.946 2.071 1
1 604 . 9 1 1 A 50 50 GLN H H 48 8.641 8.609 0.032 1
1 605 . 9 1 1 A 50 50 GLN HA H 48 5.240 5.132 0.108 1
1 612 . 9 1 1 A 50 50 GLN C C 48 175.697 175.171 0.526 1
1 613 . 9 1 1 A 50 50 GLN CA C 48 55.454 54.721 0.733 1
1 614 . 9 1 1 A 50 50 GLN CB C 48 30.959 30.709 0.250 1
1 616 . 9 1 1 A 50 50 GLN N N 48 123.029 123.057 -0.028 1
1 618 . 9 1 1 A 51 51 VAL H H 49 9.018 9.726 -0.708 1
1 619 . 9 1 1 A 51 51 VAL HA H 49 4.745 4.889 -0.144 1
1 627 . 9 1 1 A 51 51 VAL C C 49 174.561 174.311 0.250 1
1 628 . 9 1 1 A 51 51 VAL CA C 49 59.266 59.266 0.000 1
1 629 . 9 1 1 A 51 51 VAL CB C 49 35.845 35.063 0.782 1
1 632 . 9 1 1 A 51 51 VAL N N 49 119.358 119.986 -0.628 1
1 633 . 9 1 1 A 52 52 CYS H H 50 8.895 8.608 0.287 1
1 634 . 9 1 1 A 52 52 CYS HA H 50 5.636 5.365 0.271 1
1 637 . 9 1 1 A 52 52 CYS C C 50 174.469 173.245 1.224 1
1 638 . 9 1 1 A 52 52 CYS CA C 50 56.377 54.699 1.678 1
1 639 . 9 1 1 A 52 52 CYS CB C 50 44.680 43.399 1.281 1
1 640 . 9 1 1 A 52 52 CYS N N 50 120.834 119.504 1.330 1
1 641 . 9 1 1 A 53 53 ILE H H 51 8.615 9.776 -1.161 1
1 642 . 9 1 1 A 53 53 ILE HA H 51 4.512 4.736 -0.224 1
1 652 . 9 1 1 A 53 53 ILE C C 51 174.137 174.887 -0.750 1
1 653 . 9 1 1 A 53 53 ILE CA C 51 59.397 60.309 -0.912 1
1 654 . 9 1 1 A 53 53 ILE CB C 51 39.603 40.121 -0.518 1
1 658 . 9 1 1 A 53 53 ILE N N 51 122.392 126.182 -3.790 1
1 659 . 9 1 1 A 54 54 ASP H H 52 7.766 8.336 -0.570 1
1 660 . 9 1 1 A 54 54 ASP HA H 52 3.572 3.653 -0.081 1
1 663 . 9 1 1 A 54 54 ASP CA C 52 51.578 51.288 0.290 1
1 664 . 9 1 1 A 54 54 ASP CB C 52 42.381 41.651 0.730 1
1 665 . 9 1 1 A 54 54 ASP N N 52 126.398 126.989 -0.591 1
1 666 . 9 1 1 A 55 55 PRO HA H 53 4.011 4.227 -0.216 1
1 673 . 9 1 1 A 55 55 PRO C C 53 176.274 177.596 -1.322 1
1 674 . 9 1 1 A 55 55 PRO CA C 53 63.546 64.015 -0.469 1
1 675 . 9 1 1 A 55 55 PRO CB C 53 32.270 31.727 0.543 1
1 678 . 9 1 1 A 56 56 LYS H H 54 8.053 7.967 0.086 1
1 679 . 9 1 1 A 56 56 LYS HA H 54 3.982 4.175 -0.193 1
1 688 . 9 1 1 A 56 56 LYS C C 54 177.867 176.796 1.071 1
1 689 . 9 1 1 A 56 56 LYS CA C 54 56.189 57.130 -0.941 1
1 690 . 9 1 1 A 56 56 LYS CB C 54 31.649 32.486 -0.837 1
1 694 . 9 1 1 A 56 56 LYS N N 54 115.161 116.520 -1.359 1
1 695 . 9 1 1 A 57 57 LEU H H 55 7.145 7.177 -0.032 1
1 696 . 9 1 1 A 57 57 LEU HA H 55 4.027 4.153 -0.126 1
1 706 . 9 1 1 A 57 57 LEU C C 55 179.221 177.316 1.905 1
1 707 . 9 1 1 A 57 57 LEU CA C 55 14.371 55.342 -40.971 1
1 708 . 9 1 1 A 57 57 LEU CB C 55 41.739 41.779 -0.040 1
1 712 . 9 1 1 A 57 57 LEU N N 55 120.921 121.302 -0.381 1
1 713 . 9 1 1 A 58 58 LYS H H 56 8.798 8.847 -0.049 1
1 714 . 9 1 1 A 58 58 LYS HA H 56 3.937 3.951 -0.014 1
1 723 . 9 1 1 A 58 58 LYS C C 56 179.161 178.434 0.727 1
1 724 . 9 1 1 A 58 58 LYS CA C 56 60.116 59.279 0.837 1
1 725 . 9 1 1 A 58 58 LYS CB C 56 32.100 32.231 -0.131 1
1 729 . 9 1 1 A 58 58 LYS N N 56 125.449 125.062 0.387 1
1 730 . 9 1 1 A 59 59 TRP H H 57 7.821 8.205 -0.384 1
1 731 . 9 1 1 A 59 59 TRP HA H 57 4.636 4.545 0.091 1
1 740 . 9 1 1 A 59 59 TRP C C 57 178.642 179.178 -0.536 1
1 741 . 9 1 1 A 59 59 TRP CA C 57 58.388 59.660 -1.272 1
1 742 . 9 1 1 A 59 59 TRP CB C 57 27.954 27.947 0.007 1
1 748 . 9 1 1 A 59 59 TRP N N 57 113.650 119.475 -5.825 1
1 750 . 9 1 1 A 60 60 ILE H H 58 6.340 7.538 -1.198 1
1 751 . 9 1 1 A 60 60 ILE HA H 58 3.620 3.254 0.366 1
1 761 . 9 1 1 A 60 60 ILE C C 58 177.104 177.461 -0.357 1
1 762 . 9 1 1 A 60 60 ILE CA C 58 61.605 64.173 -2.568 1
1 763 . 9 1 1 A 60 60 ILE CB C 58 36.043 35.959 0.084 1
1 767 . 9 1 1 A 60 60 ILE N N 58 123.265 122.152 1.113 1
1 768 . 9 1 1 A 61 61 GLN H H 59 7.710 8.136 -0.426 1
1 769 . 9 1 1 A 61 61 GLN HA H 59 3.824 3.940 -0.116 1
1 776 . 9 1 1 A 61 61 GLN C C 59 178.933 179.030 -0.097 1
1 777 . 9 1 1 A 61 61 GLN CA C 59 59.663 58.939 0.724 1
1 778 . 9 1 1 A 61 61 GLN CB C 59 27.972 27.994 -0.022 1
1 780 . 9 1 1 A 61 61 GLN N N 59 120.515 119.146 1.369 1
1 782 . 9 1 1 A 62 62 GLU H H 60 8.042 7.824 0.218 1
1 783 . 9 1 1 A 62 62 GLU HA H 60 4.093 4.095 -0.002 1
1 788 . 9 1 1 A 62 62 GLU C C 60 178.539 178.696 -0.157 1
1 789 . 9 1 1 A 62 62 GLU CA C 60 59.152 59.140 0.012 1
1 790 . 9 1 1 A 62 62 GLU CB C 60 29.896 29.543 0.353 1
1 792 . 9 1 1 A 62 62 GLU N N 60 117.976 121.371 -3.395 1
1 793 . 9 1 1 A 63 63 TYR H H 61 7.882 8.203 -0.321 1
1 794 . 9 1 1 A 63 63 TYR HA H 61 4.214 4.215 -0.001 1
1 801 . 9 1 1 A 63 63 TYR C C 61 178.157 177.559 0.598 1
1 802 . 9 1 1 A 63 63 TYR CA C 61 61.281 61.426 -0.145 1
1 803 . 9 1 1 A 63 63 TYR CB C 61 38.956 38.643 0.313 1
1 806 . 9 1 1 A 63 63 TYR N N 61 120.743 122.970 -2.227 1
1 807 . 9 1 1 A 64 64 LEU H H 62 8.438 8.862 -0.424 1
1 808 . 9 1 1 A 64 64 LEU HA H 62 3.886 3.590 0.296 1
1 818 . 9 1 1 A 64 64 LEU C C 62 178.678 178.798 -0.120 1
1 819 . 9 1 1 A 64 64 LEU CA C 62 57.619 58.120 -0.501 1
1 820 . 9 1 1 A 64 64 LEU CB C 62 41.868 41.590 0.278 1
1 824 . 9 1 1 A 64 64 LEU N N 62 119.052 120.380 -1.328 1
1 825 . 9 1 1 A 65 65 GLU H H 63 7.884 8.415 -0.531 1
1 826 . 9 1 1 A 65 65 GLU HA H 63 3.998 3.920 0.078 1
1 831 . 9 1 1 A 65 65 GLU C C 63 178.447 178.439 0.008 1
1 832 . 9 1 1 A 65 65 GLU CA C 63 59.143 59.885 -0.742 1
1 833 . 9 1 1 A 65 65 GLU CB C 63 29.708 29.587 0.121 1
1 835 . 9 1 1 A 65 65 GLU N N 63 118.310 117.280 1.030 1
1 836 . 9 1 1 A 66 66 LYS H H 64 7.576 7.977 -0.401 1
1 837 . 9 1 1 A 66 66 LYS HA H 64 4.208 4.170 0.038 1
1 846 . 9 1 1 A 66 66 LYS C C 64 177.941 177.368 0.573 1
1 847 . 9 1 1 A 66 66 LYS CA C 64 57.543 56.898 0.645 1
1 848 . 9 1 1 A 66 66 LYS CB C 64 32.620 32.088 0.532 1
1 852 . 9 1 1 A 66 66 LYS N N 64 117.398 117.300 0.098 1
1 853 . 9 1 1 A 67 67 ALA H H 65 7.934 7.428 0.506 1
1 854 . 9 1 1 A 67 67 ALA HA H 65 4.106 4.255 -0.149 1
1 858 . 9 1 1 A 67 67 ALA C C 65 178.624 179.948 -1.324 1
1 859 . 9 1 1 A 67 67 ALA CA C 65 53.790 53.346 0.444 1
1 860 . 9 1 1 A 67 67 ALA CB C 65 19.106 19.233 -0.127 1
1 861 . 9 1 1 A 67 67 ALA N N 65 121.561 120.958 0.603 1
1 862 . 9 1 1 A 68 68 LEU H H 66 7.835 8.064 -0.229 1
1 863 . 9 1 1 A 68 68 LEU HA H 66 4.268 4.152 0.116 1
1 873 . 9 1 1 A 68 68 LEU CA C 66 55.593 57.325 -1.732 1
1 874 . 9 1 1 A 68 68 LEU CB C 66 42.191 42.667 -0.476 1
1 877 . 9 1 1 A 68 68 LEU N N 66 117.270 117.872 -0.602 1
1 878 . 9 1 1 A 69 69 ASN H H 67 7.914 7.792 0.122 1
1 879 . 9 1 1 A 69 69 ASN HA H 67 4.731 4.823 -0.092 1
1 884 . 9 1 1 A 69 69 ASN C C 67 174.039 173.987 0.052 1
1 885 . 9 1 1 A 69 69 ASN CA C 67 53.328 52.258 1.070 1
1 886 . 9 1 1 A 69 69 ASN CB C 67 39.091 37.306 1.785 1
1 887 . 9 1 1 A 69 69 ASN N N 67 118.309 116.509 1.800 1
1 18 . 10 1 1 A 4 4 PRO HA H 2 4.447 4.843 -0.396 1
1 25 . 10 1 1 A 4 4 PRO C C 2 176.996 176.746 0.250 1
1 26 . 10 1 1 A 4 4 PRO CA C 2 63.494 62.308 1.186 1
1 27 . 10 1 1 A 4 4 PRO CB C 2 32.161 31.744 0.417 1
1 30 . 10 1 1 A 5 5 VAL H H 3 8.292 8.071 0.221 1
1 31 . 10 1 1 A 5 5 VAL HA H 3 4.074 4.607 -0.533 1
1 39 . 10 1 1 A 5 5 VAL C C 3 176.376 175.238 1.138 1
1 40 . 10 1 1 A 5 5 VAL CA C 3 62.495 59.929 2.566 1
1 41 . 10 1 1 A 5 5 VAL CB C 3 32.808 33.494 -0.686 1
1 43 . 10 1 1 A 5 5 VAL N N 3 121.008 118.028 2.980 1
1 44 . 10 1 1 A 6 6 SER H H 4 8.313 8.718 -0.405 1
1 45 . 10 1 1 A 6 6 SER HA H 4 4.419 4.661 -0.242 1
1 48 . 10 1 1 A 6 6 SER C C 4 174.577 175.310 -0.733 1
1 49 . 10 1 1 A 6 6 SER CA C 4 58.148 59.033 -0.885 1
1 50 . 10 1 1 A 6 6 SER CB C 4 63.870 65.831 -1.961 1
1 51 . 10 1 1 A 6 6 SER N N 4 119.573 117.664 1.909 1
1 52 . 10 1 1 A 7 7 LEU H H 5 8.326 8.175 0.151 1
1 53 . 10 1 1 A 7 7 LEU HA H 5 4.342 4.302 0.040 1
1 63 . 10 1 1 A 7 7 LEU C C 5 177.341 176.503 0.838 1
1 64 . 10 1 1 A 7 7 LEU CA C 5 55.388 57.133 -1.745 1
1 65 . 10 1 1 A 7 7 LEU CB C 5 42.650 41.756 0.894 1
1 68 . 10 1 1 A 7 7 LEU N N 5 125.039 122.122 2.917 1
1 69 . 10 1 1 A 8 8 SER H H 6 8.157 8.561 -0.404 1
1 70 . 10 1 1 A 8 8 SER HA H 6 4.360 4.390 -0.030 1
1 73 . 10 1 1 A 8 8 SER C C 6 174.189 174.273 -0.084 1
1 74 . 10 1 1 A 8 8 SER CA C 6 58.433 57.968 0.465 1
1 75 . 10 1 1 A 8 8 SER CB C 6 63.870 62.795 1.075 1
1 76 . 10 1 1 A 8 8 SER N N 6 116.154 110.660 5.494 1
1 77 . 10 1 1 A 9 9 TYR H H 7 8.017 8.046 -0.029 1
1 78 . 10 1 1 A 9 9 TYR HA H 7 4.512 4.271 0.241 1
1 85 . 10 1 1 A 9 9 TYR C C 7 175.520 174.477 1.043 1
1 86 . 10 1 1 A 9 9 TYR CA C 7 58.008 58.722 -0.714 1
1 87 . 10 1 1 A 9 9 TYR CB C 7 38.956 37.013 1.943 1
1 90 . 10 1 1 A 9 9 TYR N N 7 122.213 120.709 1.504 1
1 91 . 10 1 1 A 10 10 ARG H H 8 8.152 8.166 -0.014 1
1 92 . 10 1 1 A 10 10 ARG HA H 8 4.260 4.304 -0.044 1
1 99 . 10 1 1 A 10 10 ARG C C 8 175.918 176.239 -0.321 1
1 100 . 10 1 1 A 10 10 ARG CA C 8 56.104 55.501 0.603 1
1 101 . 10 1 1 A 10 10 ARG CB C 8 30.875 31.321 -0.446 1
1 104 . 10 1 1 A 10 10 ARG N N 8 122.182 127.069 -4.887 1
1 105 . 10 1 1 A 11 11 CYS H H 9 8.132 8.633 -0.501 1
1 106 . 10 1 1 A 11 11 CYS HA H 9 4.935 4.635 0.300 1
1 109 . 10 1 1 A 11 11 CYS C C 9 173.615 173.994 -0.379 1
1 110 . 10 1 1 A 11 11 CYS CA C 9 53.127 55.927 -2.800 1
1 111 . 10 1 1 A 11 11 CYS CB C 9 40.201 41.492 -1.291 1
1 112 . 10 1 1 A 11 11 CYS N N 9 121.280 124.578 -3.298 1
1 113 . 10 1 1 A 12 12 PRO HA H 10 4.290 4.209 0.081 1
1 120 . 10 1 1 A 12 12 PRO C C 10 177.703 176.677 1.026 1
1 121 . 10 1 1 A 12 12 PRO CA C 10 64.835 64.758 0.077 1
1 122 . 10 1 1 A 12 12 PRO CB C 10 32.484 31.615 0.869 1
1 125 . 10 1 1 A 13 13 CYS H H 11 8.300 7.713 0.587 1
1 126 . 10 1 1 A 13 13 CYS HA H 11 4.891 4.688 0.203 1
1 129 . 10 1 1 A 13 13 CYS C C 11 174.202 172.924 1.278 1
1 130 . 10 1 1 A 13 13 CYS CA C 11 53.480 55.078 -1.598 1
1 131 . 10 1 1 A 13 13 CYS CB C 11 39.603 44.295 -4.692 1
1 132 . 10 1 1 A 13 13 CYS N N 11 114.161 116.136 -1.975 1
1 133 . 10 1 1 A 14 14 ARG HA H 12 3.963 4.208 -0.245 1
1 140 . 10 1 1 A 14 14 ARG C C 12 175.202 176.032 -0.830 1
1 141 . 10 1 1 A 14 14 ARG CA C 12 57.293 57.461 -0.168 1
1 142 . 10 1 1 A 14 14 ARG CB C 12 31.099 31.348 -0.249 1
1 145 . 10 1 1 A 15 15 PHE H H 13 7.543 7.704 -0.161 1
1 146 . 10 1 1 A 15 15 PHE HA H 13 4.496 4.946 -0.450 1
1 154 . 10 1 1 A 15 15 PHE C C 13 174.226 174.572 -0.346 1
1 155 . 10 1 1 A 15 15 PHE CA C 13 55.971 56.433 -0.462 1
1 156 . 10 1 1 A 15 15 PHE CB C 13 41.032 42.952 -1.920 1
1 160 . 10 1 1 A 15 15 PHE N N 13 116.175 114.630 1.545 1
1 161 . 10 1 1 A 16 16 PHE H H 14 8.305 8.755 -0.450 1
1 162 . 10 1 1 A 16 16 PHE HA H 14 4.812 4.870 -0.058 1
1 170 . 10 1 1 A 16 16 PHE C C 14 175.247 176.774 -1.527 1
1 171 . 10 1 1 A 16 16 PHE CA C 14 55.559 57.940 -2.381 1
1 172 . 10 1 1 A 16 16 PHE CB C 14 41.220 40.542 0.678 1
1 176 . 10 1 1 A 16 16 PHE N N 14 119.656 121.256 -1.600 1
1 177 . 10 1 1 A 17 17 GLU H H 15 8.879 9.671 -0.792 1
1 178 . 10 1 1 A 17 17 GLU HA H 15 4.536 4.045 0.491 1
1 183 . 10 1 1 A 17 17 GLU C C 15 176.747 176.666 0.081 1
1 184 . 10 1 1 A 17 17 GLU CA C 15 56.012 59.527 -3.515 1
1 185 . 10 1 1 A 17 17 GLU CB C 15 30.876 29.626 1.250 1
1 187 . 10 1 1 A 17 17 GLU N N 15 122.563 124.203 -1.640 1
1 188 . 10 1 1 A 18 18 SER H H 16 8.810 8.346 0.464 1
1 189 . 10 1 1 A 18 18 SER HA H 16 4.673 4.985 -0.312 1
1 192 . 10 1 1 A 18 18 SER C C 16 174.278 173.726 0.552 1
1 193 . 10 1 1 A 18 18 SER CA C 16 59.799 59.492 0.307 1
1 194 . 10 1 1 A 18 18 SER CB C 16 63.999 61.051 2.948 1
1 195 . 10 1 1 A 18 18 SER N N 16 119.679 115.318 4.361 1
1 196 . 10 1 1 A 19 19 HIS H H 17 8.712 8.016 0.696 1
1 197 . 10 1 1 A 19 19 HIS HA H 17 4.777 4.793 -0.016 1
1 202 . 10 1 1 A 19 19 HIS C C 17 174.580 173.947 0.633 1
1 203 . 10 1 1 A 19 19 HIS CA C 17 56.240 55.057 1.183 1
1 204 . 10 1 1 A 19 19 HIS CB C 17 29.896 30.925 -1.029 1
1 207 . 10 1 1 A 19 19 HIS N N 17 120.269 119.943 0.326 1
1 208 . 10 1 1 A 20 20 VAL H H 18 7.145 7.642 -0.497 1
1 209 . 10 1 1 A 20 20 VAL HA H 18 4.132 4.196 -0.064 1
1 217 . 10 1 1 A 20 20 VAL C C 18 174.138 174.981 -0.843 1
1 218 . 10 1 1 A 20 20 VAL CA C 18 61.605 62.018 -0.413 1
1 219 . 10 1 1 A 20 20 VAL CB C 18 34.102 33.087 1.015 1
1 221 . 10 1 1 A 20 20 VAL N N 18 120.100 120.694 -0.594 1
1 222 . 10 1 1 A 21 21 ALA H H 19 8.554 8.275 0.279 1
1 223 . 10 1 1 A 21 21 ALA HA H 19 4.353 4.380 -0.027 1
1 227 . 10 1 1 A 21 21 ALA C C 19 177.514 177.575 -0.061 1
1 228 . 10 1 1 A 21 21 ALA CA C 19 50.666 50.154 0.512 1
1 229 . 10 1 1 A 21 21 ALA CB C 19 19.648 21.398 -1.750 1
1 230 . 10 1 1 A 21 21 ALA N N 19 131.180 129.502 1.678 1
1 231 . 10 1 1 A 22 22 ARG H H 20 7.813 8.001 -0.188 1
1 232 . 10 1 1 A 22 22 ARG HA H 20 2.621 2.899 -0.278 1
1 239 . 10 1 1 A 22 22 ARG C C 20 178.531 177.529 1.002 1
1 240 . 10 1 1 A 22 22 ARG CA C 20 59.155 58.884 0.271 1
1 241 . 10 1 1 A 22 22 ARG CB C 20 29.167 29.293 -0.126 1
1 244 . 10 1 1 A 22 22 ARG N N 20 124.436 120.329 4.107 1
1 245 . 10 1 1 A 23 23 ALA H H 21 8.191 7.568 0.623 1
1 246 . 10 1 1 A 23 23 ALA HA H 21 4.023 4.007 0.016 1
1 250 . 10 1 1 A 23 23 ALA C C 21 177.743 178.430 -0.687 1
1 251 . 10 1 1 A 23 23 ALA CA C 21 53.809 53.907 -0.098 1
1 252 . 10 1 1 A 23 23 ALA CB C 21 18.712 18.168 0.544 1
1 253 . 10 1 1 A 23 23 ALA N N 21 117.354 120.810 -3.456 1
1 254 . 10 1 1 A 24 24 ASN H H 22 7.738 7.671 0.067 1
1 255 . 10 1 1 A 24 24 ASN HA H 22 4.928 4.771 0.157 1
1 260 . 10 1 1 A 24 24 ASN C C 22 174.889 175.234 -0.345 1
1 261 . 10 1 1 A 24 24 ASN CA C 22 52.590 52.834 -0.244 1
1 262 . 10 1 1 A 24 24 ASN CB C 22 40.335 38.951 1.384 1
1 263 . 10 1 1 A 24 24 ASN N N 22 112.797 115.551 -2.754 1
1 265 . 10 1 1 A 25 25 VAL H H 23 7.438 7.557 -0.119 1
1 266 . 10 1 1 A 25 25 VAL HA H 23 4.349 4.400 -0.051 1
1 274 . 10 1 1 A 25 25 VAL C C 23 174.594 175.920 -1.326 1
1 275 . 10 1 1 A 25 25 VAL CA C 23 62.406 62.377 0.029 1
1 276 . 10 1 1 A 25 25 VAL CB C 23 33.445 32.273 1.172 1
1 278 . 10 1 1 A 25 25 VAL N N 23 118.653 119.911 -1.258 1
1 279 . 10 1 1 A 26 26 LYS H H 24 9.262 9.723 -0.461 1
1 280 . 10 1 1 A 26 26 LYS HA H 24 4.394 4.253 0.141 1
1 289 . 10 1 1 A 26 26 LYS C C 24 175.247 175.912 -0.665 1
1 290 . 10 1 1 A 26 26 LYS CA C 24 56.483 58.028 -1.545 1
1 291 . 10 1 1 A 26 26 LYS CB C 24 35.022 33.798 1.224 1
1 295 . 10 1 1 A 26 26 LYS N N 24 125.308 130.221 -4.913 1
1 296 . 10 1 1 A 27 27 HIS H H 25 7.749 7.131 0.618 1
1 297 . 10 1 1 A 27 27 HIS HA H 25 4.625 4.841 -0.216 1
1 302 . 10 1 1 A 27 27 HIS C C 25 173.157 172.871 0.286 1
1 303 . 10 1 1 A 27 27 HIS CA C 25 55.916 56.160 -0.244 1
1 304 . 10 1 1 A 27 27 HIS CB C 25 32.808 32.839 -0.031 1
1 307 . 10 1 1 A 27 27 HIS N N 25 115.509 116.857 -1.348 1
1 308 . 10 1 1 A 28 28 LEU H H 26 8.117 8.462 -0.345 1
1 309 . 10 1 1 A 28 28 LEU HA H 26 4.990 5.273 -0.283 1
1 319 . 10 1 1 A 28 28 LEU C C 26 175.514 175.379 0.135 1
1 320 . 10 1 1 A 28 28 LEU CA C 26 54.662 53.203 1.459 1
1 321 . 10 1 1 A 28 28 LEU CB C 26 45.594 45.566 0.028 1
1 325 . 10 1 1 A 29 29 LYS H H 27 9.028 9.698 -0.670 1
1 326 . 10 1 1 A 29 29 LYS HA H 27 4.585 5.061 -0.476 1
1 335 . 10 1 1 A 29 29 LYS C C 27 173.758 174.729 -0.971 1
1 336 . 10 1 1 A 29 29 LYS CA C 27 54.945 54.836 0.109 1
1 337 . 10 1 1 A 29 29 LYS CB C 27 36.358 35.747 0.611 1
1 341 . 10 1 1 A 29 29 LYS N N 27 122.904 123.285 -0.381 1
1 342 . 10 1 1 A 30 30 ILE H H 28 8.540 8.877 -0.337 1
1 343 . 10 1 1 A 30 30 ILE HA H 28 4.626 4.698 -0.072 1
1 353 . 10 1 1 A 30 30 ILE C C 28 175.988 174.460 1.528 1
1 354 . 10 1 1 A 30 30 ILE CA C 28 60.122 60.438 -0.316 1
1 355 . 10 1 1 A 30 30 ILE CB C 28 38.795 38.300 0.495 1
1 359 . 10 1 1 A 30 30 ILE N N 28 123.517 127.960 -4.443 1
1 360 . 10 1 1 A 31 31 LEU H H 29 8.961 9.137 -0.176 1
1 361 . 10 1 1 A 31 31 LEU HA H 29 4.564 5.190 -0.626 1
1 371 . 10 1 1 A 31 31 LEU C C 29 176.005 174.313 1.692 1
1 372 . 10 1 1 A 31 31 LEU CA C 29 53.975 53.365 0.610 1
1 373 . 10 1 1 A 31 31 LEU CB C 29 43.485 45.336 -1.851 1
1 376 . 10 1 1 A 31 31 LEU N N 29 128.881 130.226 -1.345 1
1 377 . 10 1 1 A 32 32 ASN H H 30 8.763 8.984 -0.221 1
1 378 . 10 1 1 A 32 32 ASN HA H 30 4.991 5.503 -0.512 1
1 383 . 10 1 1 A 32 32 ASN C C 30 174.462 173.837 0.625 1
1 384 . 10 1 1 A 32 32 ASN CA C 30 52.413 51.907 0.506 1
1 385 . 10 1 1 A 32 32 ASN CB C 30 39.238 41.120 -1.882 1
1 386 . 10 1 1 A 32 32 ASN N N 30 124.019 126.928 -2.909 1
1 388 . 10 1 1 A 33 33 THR H H 31 8.170 8.557 -0.387 1
1 389 . 10 1 1 A 33 33 THR HA H 31 4.628 4.905 -0.277 1
1 394 . 10 1 1 A 33 33 THR CA C 31 59.475 59.025 0.450 1
1 395 . 10 1 1 A 33 33 THR CB C 31 70.435 70.695 -0.260 1
1 397 . 10 1 1 A 33 33 THR N N 31 119.276 119.875 -0.599 1
1 398 . 10 1 1 A 34 34 PRO HA H 32 4.223 4.339 -0.116 1
1 405 . 10 1 1 A 34 34 PRO C C 32 176.814 177.815 -1.001 1
1 406 . 10 1 1 A 34 34 PRO CA C 32 64.445 65.540 -1.095 1
1 407 . 10 1 1 A 34 34 PRO CB C 32 32.161 31.868 0.293 1
1 410 . 10 1 1 A 35 35 ASN H H 33 8.574 8.521 0.053 1
1 411 . 10 1 1 A 35 35 ASN HA H 33 4.320 4.736 -0.416 1
1 416 . 10 1 1 A 35 35 ASN C C 33 174.344 175.505 -1.161 1
1 417 . 10 1 1 A 35 35 ASN CA C 33 54.945 53.583 1.362 1
1 418 . 10 1 1 A 35 35 ASN CB C 33 38.122 38.725 -0.603 1
1 419 . 10 1 1 A 35 35 ASN N N 33 113.042 113.947 -0.905 1
1 421 . 10 1 1 A 36 36 CYS H H 34 7.554 8.218 -0.664 1
1 422 . 10 1 1 A 36 36 CYS HA H 34 4.891 4.865 0.026 1
1 425 . 10 1 1 A 36 36 CYS C C 34 173.880 173.579 0.301 1
1 426 . 10 1 1 A 36 36 CYS CA C 34 54.622 57.094 -2.472 1
1 427 . 10 1 1 A 36 36 CYS CB C 34 44.780 44.600 0.180 1
1 428 . 10 1 1 A 36 36 CYS N N 34 116.301 116.741 -0.440 1
1 429 . 10 1 1 A 37 37 ALA H H 35 8.418 7.307 1.111 1
1 430 . 10 1 1 A 37 37 ALA HA H 35 4.237 4.454 -0.217 1
1 434 . 10 1 1 A 37 37 ALA C C 35 176.677 174.785 1.892 1
1 435 . 10 1 1 A 37 37 ALA CA C 35 52.413 51.578 0.835 1
1 436 . 10 1 1 A 37 37 ALA CB C 35 18.992 21.726 -2.734 1
1 437 . 10 1 1 A 37 37 ALA N N 35 125.001 117.841 7.160 1
1 438 . 10 1 1 A 38 38 LEU H H 36 8.060 8.383 -0.323 1
1 439 . 10 1 1 A 38 38 LEU HA H 36 4.203 4.807 -0.604 1
1 449 . 10 1 1 A 38 38 LEU C C 36 176.194 174.862 1.332 1
1 450 . 10 1 1 A 38 38 LEU CA C 36 56.563 54.246 2.317 1
1 451 . 10 1 1 A 38 38 LEU CB C 36 42.488 44.090 -1.602 1
1 455 . 10 1 1 A 38 38 LEU N N 36 121.548 120.166 1.382 1
1 456 . 10 1 1 A 39 39 GLN H H 37 8.434 8.632 -0.198 1
1 457 . 10 1 1 A 39 39 GLN HA H 37 4.623 5.003 -0.380 1
1 464 . 10 1 1 A 39 39 GLN C C 37 173.581 174.652 -1.071 1
1 465 . 10 1 1 A 39 39 GLN CA C 37 54.109 54.219 -0.110 1
1 466 . 10 1 1 A 39 39 GLN CB C 37 32.286 32.130 0.156 1
1 468 . 10 1 1 A 39 39 GLN N N 37 123.271 124.933 -1.662 1
1 470 . 10 1 1 A 40 40 ILE H H 38 9.408 8.416 0.992 1
1 471 . 10 1 1 A 40 40 ILE HA H 38 4.735 4.939 -0.204 1
1 481 . 10 1 1 A 40 40 ILE C C 38 174.547 174.634 -0.087 1
1 482 . 10 1 1 A 40 40 ILE CA C 38 60.122 59.787 0.335 1
1 483 . 10 1 1 A 40 40 ILE CB C 38 38.899 40.581 -1.682 1
1 487 . 10 1 1 A 40 40 ILE N N 38 124.702 124.275 0.427 1
1 488 . 10 1 1 A 41 41 VAL H H 39 8.826 9.249 -0.423 1
1 489 . 10 1 1 A 41 41 VAL HA H 39 5.041 5.039 0.002 1
1 497 . 10 1 1 A 41 41 VAL C C 39 174.772 174.603 0.169 1
1 498 . 10 1 1 A 41 41 VAL CA C 39 60.111 61.025 -0.914 1
1 499 . 10 1 1 A 41 41 VAL CB C 39 34.767 34.460 0.307 1
1 501 . 10 1 1 A 41 41 VAL N N 39 124.047 126.300 -2.253 1
1 502 . 10 1 1 A 42 42 ALA H H 40 9.299 9.526 -0.227 1
1 503 . 10 1 1 A 42 42 ALA HA H 40 5.276 5.734 -0.458 1
1 507 . 10 1 1 A 42 42 ALA C C 40 175.955 174.976 0.979 1
1 508 . 10 1 1 A 42 42 ALA CA C 40 50.093 50.523 -0.430 1
1 509 . 10 1 1 A 42 42 ALA CB C 40 23.800 24.371 -0.571 1
1 510 . 10 1 1 A 42 42 ALA N N 40 126.567 127.958 -1.391 1
1 511 . 10 1 1 A 43 43 ARG H H 41 8.398 8.963 -0.565 1
1 512 . 10 1 1 A 43 43 ARG HA H 41 5.131 5.175 -0.044 1
1 519 . 10 1 1 A 43 43 ARG C C 41 176.184 174.890 1.294 1
1 520 . 10 1 1 A 43 43 ARG CA C 41 53.900 54.569 -0.669 1
1 521 . 10 1 1 A 43 43 ARG CB C 41 32.161 33.512 -1.351 1
1 524 . 10 1 1 A 43 43 ARG N N 41 118.991 121.121 -2.130 1
1 525 . 10 1 1 A 44 44 LEU H H 42 8.988 9.625 -0.637 1
1 526 . 10 1 1 A 44 44 LEU HA H 42 4.925 5.101 -0.176 1
1 536 . 10 1 1 A 44 44 LEU C C 42 178.369 176.720 1.649 1
1 537 . 10 1 1 A 44 44 LEU CA C 42 54.329 54.127 0.202 1
1 538 . 10 1 1 A 44 44 LEU CB C 42 41.497 42.719 -1.222 1
1 542 . 10 1 1 A 44 44 LEU N N 42 125.637 127.503 -1.866 1
1 543 . 10 1 1 A 45 45 LYS H H 43 8.470 9.609 -1.139 1
1 544 . 10 1 1 A 45 45 LYS HA H 43 3.823 4.080 -0.257 1
1 553 . 10 1 1 A 45 45 LYS CA C 43 59.340 58.980 0.360 1
1 554 . 10 1 1 A 45 45 LYS CB C 43 33.445 32.676 0.769 1
1 558 . 10 1 1 A 45 45 LYS N N 43 120.489 122.423 -1.934 1
1 559 . 10 1 1 A 46 46 ASN HA H 44 4.421 4.455 -0.034 1
1 564 . 10 1 1 A 46 46 ASN C C 44 175.970 177.092 -1.122 1
1 565 . 10 1 1 A 46 46 ASN CA C 44 55.457 56.095 -0.638 1
1 566 . 10 1 1 A 46 46 ASN CB C 44 37.507 38.872 -1.365 1
1 568 . 10 1 1 A 47 47 ASN H H 45 7.483 8.022 -0.539 1
1 569 . 10 1 1 A 47 47 ASN HA H 45 4.706 4.751 -0.045 1
1 574 . 10 1 1 A 47 47 ASN C C 45 175.461 175.273 0.188 1
1 575 . 10 1 1 A 47 47 ASN CA C 45 52.769 53.007 -0.238 1
1 576 . 10 1 1 A 47 47 ASN CB C 45 39.194 39.113 0.081 1
1 577 . 10 1 1 A 47 47 ASN N N 45 115.277 114.236 1.041 1
1 579 . 10 1 1 A 48 48 ASN H H 46 7.995 8.281 -0.286 1
1 580 . 10 1 1 A 48 48 ASN HA H 46 4.661 4.616 0.045 1
1 585 . 10 1 1 A 48 48 ASN C C 46 174.812 174.491 0.321 1
1 586 . 10 1 1 A 48 48 ASN CA C 46 54.298 54.619 -0.321 1
1 587 . 10 1 1 A 48 48 ASN CB C 46 39.103 38.227 0.876 1
1 588 . 10 1 1 A 48 48 ASN N N 46 116.416 117.114 -0.698 1
1 590 . 10 1 1 A 49 49 ARG H H 47 7.940 7.768 0.172 1
1 591 . 10 1 1 A 49 49 ARG HA H 47 4.205 4.931 -0.726 1
1 598 . 10 1 1 A 49 49 ARG C C 47 175.719 174.882 0.837 1
1 599 . 10 1 1 A 49 49 ARG CA C 47 57.084 55.147 1.937 1
1 600 . 10 1 1 A 49 49 ARG CB C 47 31.792 32.587 -0.795 1
1 603 . 10 1 1 A 49 49 ARG N N 47 120.017 116.801 3.216 1
1 604 . 10 1 1 A 50 50 GLN H H 48 8.641 8.570 0.071 1
1 605 . 10 1 1 A 50 50 GLN HA H 48 5.240 4.938 0.302 1
1 612 . 10 1 1 A 50 50 GLN C C 48 175.697 175.780 -0.083 1
1 613 . 10 1 1 A 50 50 GLN CA C 48 55.454 55.311 0.143 1
1 614 . 10 1 1 A 50 50 GLN CB C 48 30.959 30.156 0.803 1
1 616 . 10 1 1 A 50 50 GLN N N 48 123.029 122.021 1.008 1
1 618 . 10 1 1 A 51 51 VAL H H 49 9.018 9.548 -0.530 1
1 619 . 10 1 1 A 51 51 VAL HA H 49 4.745 4.914 -0.169 1
1 627 . 10 1 1 A 51 51 VAL C C 49 174.561 174.563 -0.002 1
1 628 . 10 1 1 A 51 51 VAL CA C 49 59.266 58.896 0.370 1
1 629 . 10 1 1 A 51 51 VAL CB C 49 35.845 35.256 0.589 1
1 632 . 10 1 1 A 51 51 VAL N N 49 119.358 118.847 0.511 1
1 633 . 10 1 1 A 52 52 CYS H H 50 8.895 8.719 0.176 1
1 634 . 10 1 1 A 52 52 CYS HA H 50 5.636 5.373 0.263 1
1 637 . 10 1 1 A 52 52 CYS C C 50 174.469 172.748 1.721 1
1 638 . 10 1 1 A 52 52 CYS CA C 50 56.377 54.617 1.760 1
1 639 . 10 1 1 A 52 52 CYS CB C 50 44.680 44.519 0.161 1
1 640 . 10 1 1 A 52 52 CYS N N 50 120.834 119.293 1.541 1
1 641 . 10 1 1 A 53 53 ILE H H 51 8.615 9.507 -0.892 1
1 642 . 10 1 1 A 53 53 ILE HA H 51 4.512 4.678 -0.166 1
1 652 . 10 1 1 A 53 53 ILE C C 51 174.137 174.613 -0.476 1
1 653 . 10 1 1 A 53 53 ILE CA C 51 59.397 59.805 -0.408 1
1 654 . 10 1 1 A 53 53 ILE CB C 51 39.603 40.935 -1.332 1
1 658 . 10 1 1 A 53 53 ILE N N 51 122.392 124.275 -1.883 1
1 659 . 10 1 1 A 54 54 ASP H H 52 7.766 8.511 -0.745 1
1 660 . 10 1 1 A 54 54 ASP HA H 52 3.572 4.185 -0.613 1
1 663 . 10 1 1 A 54 54 ASP CA C 52 51.578 51.945 -0.367 1
1 664 . 10 1 1 A 54 54 ASP CB C 52 42.381 40.434 1.947 1
1 665 . 10 1 1 A 54 54 ASP N N 52 126.398 124.499 1.899 1
1 666 . 10 1 1 A 55 55 PRO HA H 53 4.011 4.327 -0.316 1
1 673 . 10 1 1 A 55 55 PRO C C 53 176.274 177.234 -0.960 1
1 674 . 10 1 1 A 55 55 PRO CA C 53 63.546 63.944 -0.398 1
1 675 . 10 1 1 A 55 55 PRO CB C 53 32.270 31.564 0.706 1
1 678 . 10 1 1 A 56 56 LYS H H 54 8.053 7.890 0.163 1
1 679 . 10 1 1 A 56 56 LYS HA H 54 3.982 4.212 -0.230 1
1 688 . 10 1 1 A 56 56 LYS C C 54 177.867 176.810 1.057 1
1 689 . 10 1 1 A 56 56 LYS CA C 54 56.189 56.984 -0.795 1
1 690 . 10 1 1 A 56 56 LYS CB C 54 31.649 32.779 -1.130 1
1 694 . 10 1 1 A 56 56 LYS N N 54 115.161 116.616 -1.455 1
1 695 . 10 1 1 A 57 57 LEU H H 55 7.145 7.031 0.114 1
1 696 . 10 1 1 A 57 57 LEU HA H 55 4.027 4.132 -0.105 1
1 706 . 10 1 1 A 57 57 LEU C C 55 179.221 177.614 1.607 1
1 707 . 10 1 1 A 57 57 LEU CA C 55 14.371 55.286 -40.915 1
1 708 . 10 1 1 A 57 57 LEU CB C 55 41.739 41.625 0.114 1
1 712 . 10 1 1 A 57 57 LEU N N 55 120.921 121.301 -0.380 1
1 713 . 10 1 1 A 58 58 LYS H H 56 8.798 8.855 -0.057 1
1 714 . 10 1 1 A 58 58 LYS HA H 56 3.937 3.950 -0.013 1
1 723 . 10 1 1 A 58 58 LYS C C 56 179.161 178.327 0.834 1
1 724 . 10 1 1 A 58 58 LYS CA C 56 60.116 59.590 0.526 1
1 725 . 10 1 1 A 58 58 LYS CB C 56 32.100 32.109 -0.009 1
1 729 . 10 1 1 A 58 58 LYS N N 56 125.449 125.294 0.155 1
1 730 . 10 1 1 A 59 59 TRP H H 57 7.821 8.307 -0.486 1
1 731 . 10 1 1 A 59 59 TRP HA H 57 4.636 4.521 0.115 1
1 740 . 10 1 1 A 59 59 TRP C C 57 178.642 179.358 -0.716 1
1 741 . 10 1 1 A 59 59 TRP CA C 57 58.388 59.745 -1.357 1
1 742 . 10 1 1 A 59 59 TRP CB C 57 27.954 27.980 -0.026 1
1 748 . 10 1 1 A 59 59 TRP N N 57 113.650 119.298 -5.648 1
1 750 . 10 1 1 A 60 60 ILE H H 58 6.340 7.549 -1.209 1
1 751 . 10 1 1 A 60 60 ILE HA H 58 3.620 3.264 0.356 1
1 761 . 10 1 1 A 60 60 ILE C C 58 177.104 177.617 -0.513 1
1 762 . 10 1 1 A 60 60 ILE CA C 58 61.605 64.327 -2.722 1
1 763 . 10 1 1 A 60 60 ILE CB C 58 36.043 36.126 -0.083 1
1 767 . 10 1 1 A 60 60 ILE N N 58 123.265 122.235 1.030 1
1 768 . 10 1 1 A 61 61 GLN H H 59 7.710 7.960 -0.250 1
1 769 . 10 1 1 A 61 61 GLN HA H 59 3.824 3.944 -0.120 1
1 776 . 10 1 1 A 61 61 GLN C C 59 178.933 178.925 0.008 1
1 777 . 10 1 1 A 61 61 GLN CA C 59 59.663 58.950 0.713 1
1 778 . 10 1 1 A 61 61 GLN CB C 59 27.972 28.299 -0.327 1
1 780 . 10 1 1 A 61 61 GLN N N 59 120.515 119.035 1.480 1
1 782 . 10 1 1 A 62 62 GLU H H 60 8.042 7.464 0.578 1
1 783 . 10 1 1 A 62 62 GLU HA H 60 4.093 4.051 0.042 1
1 788 . 10 1 1 A 62 62 GLU C C 60 178.539 178.769 -0.230 1
1 789 . 10 1 1 A 62 62 GLU CA C 60 59.152 59.056 0.096 1
1 790 . 10 1 1 A 62 62 GLU CB C 60 29.896 29.474 0.422 1
1 792 . 10 1 1 A 62 62 GLU N N 60 117.976 120.718 -2.742 1
1 793 . 10 1 1 A 63 63 TYR H H 61 7.882 8.057 -0.175 1
1 794 . 10 1 1 A 63 63 TYR HA H 61 4.214 4.176 0.038 1
1 801 . 10 1 1 A 63 63 TYR C C 61 178.157 177.321 0.836 1
1 802 . 10 1 1 A 63 63 TYR CA C 61 61.281 61.594 -0.313 1
1 803 . 10 1 1 A 63 63 TYR CB C 61 38.956 38.553 0.403 1
1 806 . 10 1 1 A 63 63 TYR N N 61 120.743 122.545 -1.802 1
1 807 . 10 1 1 A 64 64 LEU H H 62 8.438 8.679 -0.241 1
1 808 . 10 1 1 A 64 64 LEU HA H 62 3.886 3.627 0.259 1
1 818 . 10 1 1 A 64 64 LEU C C 62 178.678 179.121 -0.443 1
1 819 . 10 1 1 A 64 64 LEU CA C 62 57.619 57.755 -0.136 1
1 820 . 10 1 1 A 64 64 LEU CB C 62 41.868 41.285 0.583 1
1 824 . 10 1 1 A 64 64 LEU N N 62 119.052 119.591 -0.539 1
1 825 . 10 1 1 A 65 65 GLU H H 63 7.884 7.771 0.113 1
1 826 . 10 1 1 A 65 65 GLU HA H 63 3.998 3.914 0.084 1
1 831 . 10 1 1 A 65 65 GLU C C 63 178.447 178.351 0.096 1
1 832 . 10 1 1 A 65 65 GLU CA C 63 59.143 59.882 -0.739 1
1 833 . 10 1 1 A 65 65 GLU CB C 63 29.708 29.486 0.222 1
1 835 . 10 1 1 A 65 65 GLU N N 63 118.310 118.023 0.287 1
1 836 . 10 1 1 A 66 66 LYS H H 64 7.576 8.575 -0.999 1
1 837 . 10 1 1 A 66 66 LYS HA H 64 4.208 4.241 -0.033 1
1 846 . 10 1 1 A 66 66 LYS C C 64 177.941 177.027 0.914 1
1 847 . 10 1 1 A 66 66 LYS CA C 64 57.543 57.305 0.238 1
1 848 . 10 1 1 A 66 66 LYS CB C 64 32.620 31.989 0.631 1
1 852 . 10 1 1 A 66 66 LYS N N 64 117.398 117.169 0.229 1
1 853 . 10 1 1 A 67 67 ALA H H 65 7.934 7.591 0.343 1
1 854 . 10 1 1 A 67 67 ALA HA H 65 4.106 4.323 -0.217 1
1 858 . 10 1 1 A 67 67 ALA C C 65 178.624 178.332 0.292 1
1 859 . 10 1 1 A 67 67 ALA CA C 65 53.790 52.669 1.121 1
1 860 . 10 1 1 A 67 67 ALA CB C 65 19.106 20.324 -1.218 1
1 861 . 10 1 1 A 67 67 ALA N N 65 121.561 121.261 0.300 1
1 862 . 10 1 1 A 68 68 LEU H H 66 7.835 8.063 -0.228 1
1 863 . 10 1 1 A 68 68 LEU HA H 66 4.268 4.091 0.177 1
1 873 . 10 1 1 A 68 68 LEU CA C 66 55.593 57.319 -1.726 1
1 874 . 10 1 1 A 68 68 LEU CB C 66 42.191 42.056 0.135 1
1 877 . 10 1 1 A 68 68 LEU N N 66 117.270 119.692 -2.422 1
1 878 . 10 1 1 A 69 69 ASN H H 67 7.914 7.718 0.196 1
1 879 . 10 1 1 A 69 69 ASN HA H 67 4.731 4.402 0.329 1
1 884 . 10 1 1 A 69 69 ASN C C 67 174.039 175.207 -1.168 1
1 885 . 10 1 1 A 69 69 ASN CA C 67 53.328 56.369 -3.041 1
1 886 . 10 1 1 A 69 69 ASN CB C 67 39.091 38.813 0.278 1
1 887 . 10 1 1 A 69 69 ASN N N 67 118.309 116.981 1.328 1
1 18 . 11 1 1 A 4 4 PRO HA H 2 4.447 4.745 -0.298 1
1 25 . 11 1 1 A 4 4 PRO C C 2 176.996 176.005 0.991 1
1 26 . 11 1 1 A 4 4 PRO CA C 2 63.494 62.616 0.878 1
1 27 . 11 1 1 A 4 4 PRO CB C 2 32.161 31.568 0.593 1
1 30 . 11 1 1 A 5 5 VAL H H 3 8.292 8.716 -0.424 1
1 31 . 11 1 1 A 5 5 VAL HA H 3 4.074 4.432 -0.358 1
1 39 . 11 1 1 A 5 5 VAL C C 3 176.376 175.449 0.927 1
1 40 . 11 1 1 A 5 5 VAL CA C 3 62.495 61.367 1.128 1
1 41 . 11 1 1 A 5 5 VAL CB C 3 32.808 32.302 0.506 1
1 43 . 11 1 1 A 5 5 VAL N N 3 121.008 125.044 -4.036 1
1 44 . 11 1 1 A 6 6 SER H H 4 8.313 8.296 0.017 1
1 45 . 11 1 1 A 6 6 SER HA H 4 4.419 4.774 -0.355 1
1 48 . 11 1 1 A 6 6 SER C C 4 174.577 174.414 0.163 1
1 49 . 11 1 1 A 6 6 SER CA C 4 58.148 57.648 0.500 1
1 50 . 11 1 1 A 6 6 SER CB C 4 63.870 64.334 -0.464 1
1 51 . 11 1 1 A 6 6 SER N N 4 119.573 121.661 -2.088 1
1 52 . 11 1 1 A 7 7 LEU H H 5 8.326 8.023 0.303 1
1 53 . 11 1 1 A 7 7 LEU HA H 5 4.342 4.206 0.136 1
1 63 . 11 1 1 A 7 7 LEU C C 5 177.341 176.800 0.541 1
1 64 . 11 1 1 A 7 7 LEU CA C 5 55.388 56.909 -1.521 1
1 65 . 11 1 1 A 7 7 LEU CB C 5 42.650 42.643 0.007 1
1 68 . 11 1 1 A 7 7 LEU N N 5 125.039 122.664 2.375 1
1 69 . 11 1 1 A 8 8 SER H H 6 8.157 7.859 0.298 1
1 70 . 11 1 1 A 8 8 SER HA H 6 4.360 5.067 -0.707 1
1 73 . 11 1 1 A 8 8 SER C C 6 174.189 172.546 1.643 1
1 74 . 11 1 1 A 8 8 SER CA C 6 58.433 57.698 0.735 1
1 75 . 11 1 1 A 8 8 SER CB C 6 63.870 64.969 -1.099 1
1 76 . 11 1 1 A 8 8 SER N N 6 116.154 112.567 3.587 1
1 77 . 11 1 1 A 9 9 TYR H H 7 8.017 8.684 -0.667 1
1 78 . 11 1 1 A 9 9 TYR HA H 7 4.512 4.820 -0.308 1
1 85 . 11 1 1 A 9 9 TYR C C 7 175.520 174.984 0.536 1
1 86 . 11 1 1 A 9 9 TYR CA C 7 58.008 58.147 -0.139 1
1 87 . 11 1 1 A 9 9 TYR CB C 7 38.956 40.431 -1.475 1
1 90 . 11 1 1 A 9 9 TYR N N 7 122.213 125.826 -3.613 1
1 91 . 11 1 1 A 10 10 ARG H H 8 8.152 8.573 -0.421 1
1 92 . 11 1 1 A 10 10 ARG HA H 8 4.260 4.356 -0.096 1
1 99 . 11 1 1 A 10 10 ARG C C 8 175.918 175.296 0.622 1
1 100 . 11 1 1 A 10 10 ARG CA C 8 56.104 57.175 -1.071 1
1 101 . 11 1 1 A 10 10 ARG CB C 8 30.875 33.153 -2.278 1
1 104 . 11 1 1 A 10 10 ARG N N 8 122.182 127.693 -5.511 1
1 105 . 11 1 1 A 11 11 CYS H H 9 8.132 7.408 0.724 1
1 106 . 11 1 1 A 11 11 CYS HA H 9 4.935 4.677 0.258 1
1 109 . 11 1 1 A 11 11 CYS C C 9 173.615 173.736 -0.121 1
1 110 . 11 1 1 A 11 11 CYS CA C 9 53.127 54.641 -1.514 1
1 111 . 11 1 1 A 11 11 CYS CB C 9 40.201 42.748 -2.547 1
1 112 . 11 1 1 A 11 11 CYS N N 9 121.280 116.776 4.504 1
1 113 . 11 1 1 A 12 12 PRO HA H 10 4.290 4.206 0.084 1
1 120 . 11 1 1 A 12 12 PRO C C 10 177.703 177.141 0.562 1
1 121 . 11 1 1 A 12 12 PRO CA C 10 64.835 65.459 -0.624 1
1 122 . 11 1 1 A 12 12 PRO CB C 10 32.484 31.384 1.100 1
1 125 . 11 1 1 A 13 13 CYS H H 11 8.300 7.814 0.486 1
1 126 . 11 1 1 A 13 13 CYS HA H 11 4.891 4.992 -0.101 1
1 129 . 11 1 1 A 13 13 CYS C C 11 174.202 173.253 0.949 1
1 130 . 11 1 1 A 13 13 CYS CA C 11 53.480 55.124 -1.644 1
1 131 . 11 1 1 A 13 13 CYS CB C 11 39.603 44.241 -4.638 1
1 132 . 11 1 1 A 13 13 CYS N N 11 114.161 115.126 -0.965 1
1 133 . 11 1 1 A 14 14 ARG HA H 12 3.963 4.004 -0.041 1
1 140 . 11 1 1 A 14 14 ARG C C 12 175.202 175.615 -0.413 1
1 141 . 11 1 1 A 14 14 ARG CA C 12 57.293 56.997 0.296 1
1 142 . 11 1 1 A 14 14 ARG CB C 12 31.099 30.384 0.715 1
1 145 . 11 1 1 A 15 15 PHE H H 13 7.543 7.754 -0.211 1
1 146 . 11 1 1 A 15 15 PHE HA H 13 4.496 4.921 -0.425 1
1 154 . 11 1 1 A 15 15 PHE C C 13 174.226 174.730 -0.504 1
1 155 . 11 1 1 A 15 15 PHE CA C 13 55.971 56.074 -0.103 1
1 156 . 11 1 1 A 15 15 PHE CB C 13 41.032 41.464 -0.432 1
1 160 . 11 1 1 A 15 15 PHE N N 13 116.175 116.204 -0.029 1
1 161 . 11 1 1 A 16 16 PHE H H 14 8.305 9.078 -0.773 1
1 162 . 11 1 1 A 16 16 PHE HA H 14 4.812 4.980 -0.168 1
1 170 . 11 1 1 A 16 16 PHE C C 14 175.247 176.017 -0.770 1
1 171 . 11 1 1 A 16 16 PHE CA C 14 55.559 56.483 -0.924 1
1 172 . 11 1 1 A 16 16 PHE CB C 14 41.220 42.641 -1.421 1
1 176 . 11 1 1 A 16 16 PHE N N 14 119.656 120.409 -0.753 1
1 177 . 11 1 1 A 17 17 GLU H H 15 8.879 9.324 -0.445 1
1 178 . 11 1 1 A 17 17 GLU HA H 15 4.536 4.043 0.493 1
1 183 . 11 1 1 A 17 17 GLU C C 15 176.747 176.539 0.208 1
1 184 . 11 1 1 A 17 17 GLU CA C 15 56.012 59.359 -3.347 1
1 185 . 11 1 1 A 17 17 GLU CB C 15 30.876 29.260 1.616 1
1 187 . 11 1 1 A 17 17 GLU N N 15 122.563 124.460 -1.897 1
1 188 . 11 1 1 A 18 18 SER H H 16 8.810 8.100 0.710 1
1 189 . 11 1 1 A 18 18 SER HA H 16 4.673 4.235 0.438 1
1 192 . 11 1 1 A 18 18 SER C C 16 174.278 174.289 -0.011 1
1 193 . 11 1 1 A 18 18 SER CA C 16 59.799 60.337 -0.538 1
1 194 . 11 1 1 A 18 18 SER CB C 16 63.999 61.479 2.520 1
1 195 . 11 1 1 A 18 18 SER N N 16 119.679 113.919 5.760 1
1 196 . 11 1 1 A 19 19 HIS H H 17 8.712 7.938 0.774 1
1 197 . 11 1 1 A 19 19 HIS HA H 17 4.777 4.891 -0.114 1
1 202 . 11 1 1 A 19 19 HIS C C 17 174.580 174.610 -0.030 1
1 203 . 11 1 1 A 19 19 HIS CA C 17 56.240 55.252 0.988 1
1 204 . 11 1 1 A 19 19 HIS CB C 17 29.896 29.916 -0.020 1
1 207 . 11 1 1 A 19 19 HIS N N 17 120.269 118.494 1.775 1
1 208 . 11 1 1 A 20 20 VAL H H 18 7.145 7.706 -0.561 1
1 209 . 11 1 1 A 20 20 VAL HA H 18 4.132 4.142 -0.010 1
1 217 . 11 1 1 A 20 20 VAL C C 18 174.138 175.587 -1.449 1
1 218 . 11 1 1 A 20 20 VAL CA C 18 61.605 61.871 -0.266 1
1 219 . 11 1 1 A 20 20 VAL CB C 18 34.102 32.964 1.138 1
1 221 . 11 1 1 A 20 20 VAL N N 18 120.100 120.350 -0.250 1
1 222 . 11 1 1 A 21 21 ALA H H 19 8.554 8.446 0.108 1
1 223 . 11 1 1 A 21 21 ALA HA H 19 4.353 4.397 -0.044 1
1 227 . 11 1 1 A 21 21 ALA C C 19 177.514 177.611 -0.097 1
1 228 . 11 1 1 A 21 21 ALA CA C 19 50.666 50.058 0.608 1
1 229 . 11 1 1 A 21 21 ALA CB C 19 19.648 21.282 -1.634 1
1 230 . 11 1 1 A 21 21 ALA N N 19 131.180 129.815 1.365 1
1 231 . 11 1 1 A 22 22 ARG H H 20 7.813 7.997 -0.184 1
1 232 . 11 1 1 A 22 22 ARG HA H 20 2.621 2.747 -0.126 1
1 239 . 11 1 1 A 22 22 ARG C C 20 178.531 177.175 1.356 1
1 240 . 11 1 1 A 22 22 ARG CA C 20 59.155 58.403 0.752 1
1 241 . 11 1 1 A 22 22 ARG CB C 20 29.167 29.233 -0.066 1
1 244 . 11 1 1 A 22 22 ARG N N 20 124.436 119.945 4.491 1
1 245 . 11 1 1 A 23 23 ALA H H 21 8.191 7.437 0.754 1
1 246 . 11 1 1 A 23 23 ALA HA H 21 4.023 4.046 -0.023 1
1 250 . 11 1 1 A 23 23 ALA C C 21 177.743 177.999 -0.256 1
1 251 . 11 1 1 A 23 23 ALA CA C 21 53.809 53.227 0.582 1
1 252 . 11 1 1 A 23 23 ALA CB C 21 18.712 18.474 0.238 1
1 253 . 11 1 1 A 23 23 ALA N N 21 117.354 120.785 -3.431 1
1 254 . 11 1 1 A 24 24 ASN H H 22 7.738 7.935 -0.197 1
1 255 . 11 1 1 A 24 24 ASN HA H 22 4.928 4.763 0.165 1
1 260 . 11 1 1 A 24 24 ASN C C 22 174.889 174.989 -0.100 1
1 261 . 11 1 1 A 24 24 ASN CA C 22 52.590 52.506 0.084 1
1 262 . 11 1 1 A 24 24 ASN CB C 22 40.335 38.794 1.541 1
1 263 . 11 1 1 A 24 24 ASN N N 22 112.797 115.244 -2.447 1
1 265 . 11 1 1 A 25 25 VAL H H 23 7.438 7.306 0.132 1
1 266 . 11 1 1 A 25 25 VAL HA H 23 4.349 4.546 -0.197 1
1 274 . 11 1 1 A 25 25 VAL C C 23 174.594 174.810 -0.216 1
1 275 . 11 1 1 A 25 25 VAL CA C 23 62.406 60.452 1.954 1
1 276 . 11 1 1 A 25 25 VAL CB C 23 33.445 33.449 -0.004 1
1 278 . 11 1 1 A 25 25 VAL N N 23 118.653 119.727 -1.074 1
1 279 . 11 1 1 A 26 26 LYS H H 24 9.262 9.249 0.013 1
1 280 . 11 1 1 A 26 26 LYS HA H 24 4.394 4.331 0.063 1
1 289 . 11 1 1 A 26 26 LYS C C 24 175.247 176.332 -1.085 1
1 290 . 11 1 1 A 26 26 LYS CA C 24 56.483 58.178 -1.695 1
1 291 . 11 1 1 A 26 26 LYS CB C 24 35.022 33.167 1.855 1
1 295 . 11 1 1 A 26 26 LYS N N 24 125.308 129.193 -3.885 1
1 296 . 11 1 1 A 27 27 HIS H H 25 7.749 8.117 -0.368 1
1 297 . 11 1 1 A 27 27 HIS HA H 25 4.625 5.049 -0.424 1
1 302 . 11 1 1 A 27 27 HIS C C 25 173.157 173.980 -0.823 1
1 303 . 11 1 1 A 27 27 HIS CA C 25 55.916 54.480 1.436 1
1 304 . 11 1 1 A 27 27 HIS CB C 25 32.808 32.720 0.088 1
1 307 . 11 1 1 A 27 27 HIS N N 25 115.509 117.187 -1.678 1
1 308 . 11 1 1 A 28 28 LEU H H 26 8.117 8.479 -0.362 1
1 309 . 11 1 1 A 28 28 LEU HA H 26 4.990 5.115 -0.125 1
1 319 . 11 1 1 A 28 28 LEU C C 26 175.514 173.799 1.715 1
1 320 . 11 1 1 A 28 28 LEU CA C 26 54.662 54.062 0.600 1
1 321 . 11 1 1 A 28 28 LEU CB C 26 45.594 45.112 0.482 1
1 325 . 11 1 1 A 29 29 LYS H H 27 9.028 9.739 -0.711 1
1 326 . 11 1 1 A 29 29 LYS HA H 27 4.585 5.083 -0.498 1
1 335 . 11 1 1 A 29 29 LYS C C 27 173.758 174.772 -1.014 1
1 336 . 11 1 1 A 29 29 LYS CA C 27 54.945 54.651 0.294 1
1 337 . 11 1 1 A 29 29 LYS CB C 27 36.358 35.661 0.697 1
1 341 . 11 1 1 A 29 29 LYS N N 27 122.904 128.090 -5.186 1
1 342 . 11 1 1 A 30 30 ILE H H 28 8.540 8.945 -0.405 1
1 343 . 11 1 1 A 30 30 ILE HA H 28 4.626 4.869 -0.243 1
1 353 . 11 1 1 A 30 30 ILE C C 28 175.988 175.060 0.928 1
1 354 . 11 1 1 A 30 30 ILE CA C 28 60.122 59.541 0.581 1
1 355 . 11 1 1 A 30 30 ILE CB C 28 38.795 38.401 0.394 1
1 359 . 11 1 1 A 30 30 ILE N N 28 123.517 127.364 -3.847 1
1 360 . 11 1 1 A 31 31 LEU H H 29 8.961 9.260 -0.299 1
1 361 . 11 1 1 A 31 31 LEU HA H 29 4.564 5.141 -0.577 1
1 371 . 11 1 1 A 31 31 LEU C C 29 176.005 175.332 0.673 1
1 372 . 11 1 1 A 31 31 LEU CA C 29 53.975 53.598 0.377 1
1 373 . 11 1 1 A 31 31 LEU CB C 29 43.485 42.926 0.559 1
1 376 . 11 1 1 A 31 31 LEU N N 29 128.881 128.567 0.314 1
1 377 . 11 1 1 A 32 32 ASN H H 30 8.763 8.917 -0.154 1
1 378 . 11 1 1 A 32 32 ASN HA H 30 4.991 5.591 -0.600 1
1 383 . 11 1 1 A 32 32 ASN C C 30 174.462 174.387 0.075 1
1 384 . 11 1 1 A 32 32 ASN CA C 30 52.413 51.785 0.628 1
1 385 . 11 1 1 A 32 32 ASN CB C 30 39.238 40.718 -1.480 1
1 386 . 11 1 1 A 32 32 ASN N N 30 124.019 123.859 0.160 1
1 388 . 11 1 1 A 33 33 THR H H 31 8.170 8.113 0.057 1
1 389 . 11 1 1 A 33 33 THR HA H 31 4.628 4.939 -0.311 1
1 394 . 11 1 1 A 33 33 THR CA C 31 59.475 58.431 1.044 1
1 395 . 11 1 1 A 33 33 THR CB C 31 70.435 71.055 -0.620 1
1 397 . 11 1 1 A 33 33 THR N N 31 119.276 110.771 8.505 1
1 398 . 11 1 1 A 34 34 PRO HA H 32 4.223 4.325 -0.102 1
1 405 . 11 1 1 A 34 34 PRO C C 32 176.814 177.873 -1.059 1
1 406 . 11 1 1 A 34 34 PRO CA C 32 64.445 64.979 -0.534 1
1 407 . 11 1 1 A 34 34 PRO CB C 32 32.161 31.848 0.313 1
1 410 . 11 1 1 A 35 35 ASN H H 33 8.574 8.462 0.112 1
1 411 . 11 1 1 A 35 35 ASN HA H 33 4.320 4.638 -0.318 1
1 416 . 11 1 1 A 35 35 ASN C C 33 174.344 175.342 -0.998 1
1 417 . 11 1 1 A 35 35 ASN CA C 33 54.945 53.598 1.347 1
1 418 . 11 1 1 A 35 35 ASN CB C 33 38.122 38.243 -0.121 1
1 419 . 11 1 1 A 35 35 ASN N N 33 113.042 113.972 -0.930 1
1 421 . 11 1 1 A 36 36 CYS H H 34 7.554 8.054 -0.500 1
1 422 . 11 1 1 A 36 36 CYS HA H 34 4.891 4.846 0.045 1
1 425 . 11 1 1 A 36 36 CYS C C 34 173.880 173.520 0.360 1
1 426 . 11 1 1 A 36 36 CYS CA C 34 54.622 56.706 -2.084 1
1 427 . 11 1 1 A 36 36 CYS CB C 34 44.780 44.133 0.647 1
1 428 . 11 1 1 A 36 36 CYS N N 34 116.301 116.599 -0.298 1
1 429 . 11 1 1 A 37 37 ALA H H 35 8.418 7.162 1.256 1
1 430 . 11 1 1 A 37 37 ALA HA H 35 4.237 4.403 -0.166 1
1 434 . 11 1 1 A 37 37 ALA C C 35 176.677 175.274 1.403 1
1 435 . 11 1 1 A 37 37 ALA CA C 35 52.413 51.467 0.946 1
1 436 . 11 1 1 A 37 37 ALA CB C 35 18.992 20.398 -1.406 1
1 437 . 11 1 1 A 37 37 ALA N N 35 125.001 118.022 6.979 1
1 438 . 11 1 1 A 38 38 LEU H H 36 8.060 8.523 -0.463 1
1 439 . 11 1 1 A 38 38 LEU HA H 36 4.203 4.911 -0.708 1
1 449 . 11 1 1 A 38 38 LEU C C 36 176.194 176.004 0.190 1
1 450 . 11 1 1 A 38 38 LEU CA C 36 56.563 53.548 3.015 1
1 451 . 11 1 1 A 38 38 LEU CB C 36 42.488 43.072 -0.584 1
1 455 . 11 1 1 A 38 38 LEU N N 36 121.548 119.269 2.279 1
1 456 . 11 1 1 A 39 39 GLN H H 37 8.434 8.981 -0.547 1
1 457 . 11 1 1 A 39 39 GLN HA H 37 4.623 5.097 -0.474 1
1 464 . 11 1 1 A 39 39 GLN C C 37 173.581 174.755 -1.174 1
1 465 . 11 1 1 A 39 39 GLN CA C 37 54.109 54.436 -0.327 1
1 466 . 11 1 1 A 39 39 GLN CB C 37 32.286 31.356 0.930 1
1 468 . 11 1 1 A 39 39 GLN N N 37 123.271 121.929 1.342 1
1 470 . 11 1 1 A 40 40 ILE H H 38 9.408 8.473 0.935 1
1 471 . 11 1 1 A 40 40 ILE HA H 38 4.735 4.804 -0.069 1
1 481 . 11 1 1 A 40 40 ILE C C 38 174.547 175.568 -1.021 1
1 482 . 11 1 1 A 40 40 ILE CA C 38 60.122 60.573 -0.451 1
1 483 . 11 1 1 A 40 40 ILE CB C 38 38.899 39.673 -0.774 1
1 487 . 11 1 1 A 40 40 ILE N N 38 124.702 125.724 -1.022 1
1 488 . 11 1 1 A 41 41 VAL H H 39 8.826 9.594 -0.768 1
1 489 . 11 1 1 A 41 41 VAL HA H 39 5.041 5.018 0.023 1
1 497 . 11 1 1 A 41 41 VAL C C 39 174.772 175.069 -0.297 1
1 498 . 11 1 1 A 41 41 VAL CA C 39 60.111 61.274 -1.163 1
1 499 . 11 1 1 A 41 41 VAL CB C 39 34.767 34.224 0.543 1
1 501 . 11 1 1 A 41 41 VAL N N 39 124.047 126.786 -2.739 1
1 502 . 11 1 1 A 42 42 ALA H H 40 9.299 9.366 -0.067 1
1 503 . 11 1 1 A 42 42 ALA HA H 40 5.276 6.003 -0.727 1
1 507 . 11 1 1 A 42 42 ALA C C 40 175.955 174.849 1.106 1
1 508 . 11 1 1 A 42 42 ALA CA C 40 50.093 50.585 -0.492 1
1 509 . 11 1 1 A 42 42 ALA CB C 40 23.800 23.651 0.149 1
1 510 . 11 1 1 A 42 42 ALA N N 40 126.567 128.365 -1.798 1
1 511 . 11 1 1 A 43 43 ARG H H 41 8.398 8.896 -0.498 1
1 512 . 11 1 1 A 43 43 ARG HA H 41 5.131 5.297 -0.166 1
1 519 . 11 1 1 A 43 43 ARG C C 41 176.184 175.635 0.549 1
1 520 . 11 1 1 A 43 43 ARG CA C 41 53.900 54.556 -0.656 1
1 521 . 11 1 1 A 43 43 ARG CB C 41 32.161 33.668 -1.507 1
1 524 . 11 1 1 A 43 43 ARG N N 41 118.991 121.637 -2.646 1
1 525 . 11 1 1 A 44 44 LEU H H 42 8.988 9.269 -0.281 1
1 526 . 11 1 1 A 44 44 LEU HA H 42 4.925 4.851 0.074 1
1 536 . 11 1 1 A 44 44 LEU C C 42 178.369 176.501 1.868 1
1 537 . 11 1 1 A 44 44 LEU CA C 42 54.329 54.944 -0.615 1
1 538 . 11 1 1 A 44 44 LEU CB C 42 41.497 42.232 -0.735 1
1 542 . 11 1 1 A 44 44 LEU N N 42 125.637 127.776 -2.139 1
1 543 . 11 1 1 A 45 45 LYS H H 43 8.470 9.383 -0.913 1
1 544 . 11 1 1 A 45 45 LYS HA H 43 3.823 4.147 -0.324 1
1 553 . 11 1 1 A 45 45 LYS CA C 43 59.340 58.521 0.819 1
1 554 . 11 1 1 A 45 45 LYS CB C 43 33.445 32.832 0.613 1
1 558 . 11 1 1 A 45 45 LYS N N 43 120.489 122.296 -1.807 1
1 559 . 11 1 1 A 46 46 ASN HA H 44 4.421 4.504 -0.083 1
1 564 . 11 1 1 A 46 46 ASN C C 44 175.970 176.990 -1.020 1
1 565 . 11 1 1 A 46 46 ASN CA C 44 55.457 56.459 -1.002 1
1 566 . 11 1 1 A 46 46 ASN CB C 44 37.507 38.940 -1.433 1
1 568 . 11 1 1 A 47 47 ASN H H 45 7.483 8.003 -0.520 1
1 569 . 11 1 1 A 47 47 ASN HA H 45 4.706 4.784 -0.078 1
1 574 . 11 1 1 A 47 47 ASN C C 45 175.461 175.561 -0.100 1
1 575 . 11 1 1 A 47 47 ASN CA C 45 52.769 52.850 -0.081 1
1 576 . 11 1 1 A 47 47 ASN CB C 45 39.194 39.376 -0.182 1
1 577 . 11 1 1 A 47 47 ASN N N 45 115.277 114.060 1.217 1
1 579 . 11 1 1 A 48 48 ASN H H 46 7.995 8.234 -0.239 1
1 580 . 11 1 1 A 48 48 ASN HA H 46 4.661 4.668 -0.007 1
1 585 . 11 1 1 A 48 48 ASN C C 46 174.812 174.796 0.016 1
1 586 . 11 1 1 A 48 48 ASN CA C 46 54.298 54.626 -0.328 1
1 587 . 11 1 1 A 48 48 ASN CB C 46 39.103 38.197 0.906 1
1 588 . 11 1 1 A 48 48 ASN N N 46 116.416 117.053 -0.637 1
1 590 . 11 1 1 A 49 49 ARG H H 47 7.940 7.809 0.131 1
1 591 . 11 1 1 A 49 49 ARG HA H 47 4.205 4.583 -0.378 1
1 598 . 11 1 1 A 49 49 ARG C C 47 175.719 175.075 0.644 1
1 599 . 11 1 1 A 49 49 ARG CA C 47 57.084 55.782 1.302 1
1 600 . 11 1 1 A 49 49 ARG CB C 47 31.792 31.597 0.195 1
1 603 . 11 1 1 A 49 49 ARG N N 47 120.017 119.160 0.857 1
1 604 . 11 1 1 A 50 50 GLN H H 48 8.641 8.654 -0.013 1
1 605 . 11 1 1 A 50 50 GLN HA H 48 5.240 4.873 0.367 1
1 612 . 11 1 1 A 50 50 GLN C C 48 175.697 175.806 -0.109 1
1 613 . 11 1 1 A 50 50 GLN CA C 48 55.454 55.489 -0.035 1
1 614 . 11 1 1 A 50 50 GLN CB C 48 30.959 29.942 1.017 1
1 616 . 11 1 1 A 50 50 GLN N N 48 123.029 122.758 0.271 1
1 618 . 11 1 1 A 51 51 VAL H H 49 9.018 9.514 -0.496 1
1 619 . 11 1 1 A 51 51 VAL HA H 49 4.745 4.903 -0.158 1
1 627 . 11 1 1 A 51 51 VAL C C 49 174.561 174.589 -0.028 1
1 628 . 11 1 1 A 51 51 VAL CA C 49 59.266 58.983 0.283 1
1 629 . 11 1 1 A 51 51 VAL CB C 49 35.845 35.961 -0.116 1
1 632 . 11 1 1 A 51 51 VAL N N 49 119.358 118.240 1.118 1
1 633 . 11 1 1 A 52 52 CYS H H 50 8.895 8.957 -0.062 1
1 634 . 11 1 1 A 52 52 CYS HA H 50 5.636 5.497 0.139 1
1 637 . 11 1 1 A 52 52 CYS C C 50 174.469 172.988 1.481 1
1 638 . 11 1 1 A 52 52 CYS CA C 50 56.377 54.508 1.869 1
1 639 . 11 1 1 A 52 52 CYS CB C 50 44.680 44.936 -0.256 1
1 640 . 11 1 1 A 52 52 CYS N N 50 120.834 119.233 1.601 1
1 641 . 11 1 1 A 53 53 ILE H H 51 8.615 9.556 -0.941 1
1 642 . 11 1 1 A 53 53 ILE HA H 51 4.512 4.583 -0.071 1
1 652 . 11 1 1 A 53 53 ILE C C 51 174.137 174.578 -0.441 1
1 653 . 11 1 1 A 53 53 ILE CA C 51 59.397 60.474 -1.077 1
1 654 . 11 1 1 A 53 53 ILE CB C 51 39.603 39.953 -0.350 1
1 658 . 11 1 1 A 53 53 ILE N N 51 122.392 123.991 -1.599 1
1 659 . 11 1 1 A 54 54 ASP H H 52 7.766 8.273 -0.507 1
1 660 . 11 1 1 A 54 54 ASP HA H 52 3.572 3.345 0.227 1
1 663 . 11 1 1 A 54 54 ASP CA C 52 51.578 51.271 0.307 1
1 664 . 11 1 1 A 54 54 ASP CB C 52 42.381 41.696 0.685 1
1 665 . 11 1 1 A 54 54 ASP N N 52 126.398 127.137 -0.739 1
1 666 . 11 1 1 A 55 55 PRO HA H 53 4.011 4.264 -0.253 1
1 673 . 11 1 1 A 55 55 PRO C C 53 176.274 177.370 -1.096 1
1 674 . 11 1 1 A 55 55 PRO CA C 53 63.546 63.966 -0.420 1
1 675 . 11 1 1 A 55 55 PRO CB C 53 32.270 31.572 0.698 1
1 678 . 11 1 1 A 56 56 LYS H H 54 8.053 7.834 0.219 1
1 679 . 11 1 1 A 56 56 LYS HA H 54 3.982 4.377 -0.395 1
1 688 . 11 1 1 A 56 56 LYS C C 54 177.867 177.026 0.841 1
1 689 . 11 1 1 A 56 56 LYS CA C 54 56.189 56.166 0.023 1
1 690 . 11 1 1 A 56 56 LYS CB C 54 31.649 32.541 -0.892 1
1 694 . 11 1 1 A 56 56 LYS N N 54 115.161 116.518 -1.357 1
1 695 . 11 1 1 A 57 57 LEU H H 55 7.145 7.048 0.097 1
1 696 . 11 1 1 A 57 57 LEU HA H 55 4.027 4.135 -0.108 1
1 706 . 11 1 1 A 57 57 LEU C C 55 179.221 177.525 1.696 1
1 707 . 11 1 1 A 57 57 LEU CA C 55 14.371 55.317 -40.946 1
1 708 . 11 1 1 A 57 57 LEU CB C 55 41.739 41.664 0.075 1
1 712 . 11 1 1 A 57 57 LEU N N 55 120.921 122.412 -1.491 1
1 713 . 11 1 1 A 58 58 LYS H H 56 8.798 8.942 -0.144 1
1 714 . 11 1 1 A 58 58 LYS HA H 56 3.937 3.890 0.047 1
1 723 . 11 1 1 A 58 58 LYS C C 56 179.161 178.157 1.004 1
1 724 . 11 1 1 A 58 58 LYS CA C 56 60.116 59.725 0.391 1
1 725 . 11 1 1 A 58 58 LYS CB C 56 32.100 32.114 -0.014 1
1 729 . 11 1 1 A 58 58 LYS N N 56 125.449 124.993 0.456 1
1 730 . 11 1 1 A 59 59 TRP H H 57 7.821 8.406 -0.585 1
1 731 . 11 1 1 A 59 59 TRP HA H 57 4.636 4.952 -0.316 1
1 740 . 11 1 1 A 59 59 TRP C C 57 178.642 179.187 -0.545 1
1 741 . 11 1 1 A 59 59 TRP CA C 57 58.388 59.732 -1.344 1
1 742 . 11 1 1 A 59 59 TRP CB C 57 27.954 27.955 -0.001 1
1 748 . 11 1 1 A 59 59 TRP N N 57 113.650 119.114 -5.464 1
1 750 . 11 1 1 A 60 60 ILE H H 58 6.340 7.458 -1.118 1
1 751 . 11 1 1 A 60 60 ILE HA H 58 3.620 3.294 0.326 1
1 761 . 11 1 1 A 60 60 ILE C C 58 177.104 177.581 -0.477 1
1 762 . 11 1 1 A 60 60 ILE CA C 58 61.605 64.300 -2.695 1
1 763 . 11 1 1 A 60 60 ILE CB C 58 36.043 35.875 0.168 1
1 767 . 11 1 1 A 60 60 ILE N N 58 123.265 122.134 1.131 1
1 768 . 11 1 1 A 61 61 GLN H H 59 7.710 8.142 -0.432 1
1 769 . 11 1 1 A 61 61 GLN HA H 59 3.824 3.914 -0.090 1
1 776 . 11 1 1 A 61 61 GLN C C 59 178.933 178.847 0.086 1
1 777 . 11 1 1 A 61 61 GLN CA C 59 59.663 58.695 0.968 1
1 778 . 11 1 1 A 61 61 GLN CB C 59 27.972 28.021 -0.049 1
1 780 . 11 1 1 A 61 61 GLN N N 59 120.515 118.882 1.633 1
1 782 . 11 1 1 A 62 62 GLU H H 60 8.042 7.737 0.305 1
1 783 . 11 1 1 A 62 62 GLU HA H 60 4.093 4.044 0.049 1
1 788 . 11 1 1 A 62 62 GLU C C 60 178.539 178.579 -0.040 1
1 789 . 11 1 1 A 62 62 GLU CA C 60 59.152 59.221 -0.069 1
1 790 . 11 1 1 A 62 62 GLU CB C 60 29.896 29.385 0.511 1
1 792 . 11 1 1 A 62 62 GLU N N 60 117.976 120.938 -2.962 1
1 793 . 11 1 1 A 63 63 TYR H H 61 7.882 8.212 -0.330 1
1 794 . 11 1 1 A 63 63 TYR HA H 61 4.214 4.239 -0.025 1
1 801 . 11 1 1 A 63 63 TYR C C 61 178.157 177.429 0.728 1
1 802 . 11 1 1 A 63 63 TYR CA C 61 61.281 61.441 -0.160 1
1 803 . 11 1 1 A 63 63 TYR CB C 61 38.956 38.881 0.075 1
1 806 . 11 1 1 A 63 63 TYR N N 61 120.743 122.519 -1.776 1
1 807 . 11 1 1 A 64 64 LEU H H 62 8.438 8.921 -0.483 1
1 808 . 11 1 1 A 64 64 LEU HA H 62 3.886 3.547 0.339 1
1 818 . 11 1 1 A 64 64 LEU C C 62 178.678 179.272 -0.594 1
1 819 . 11 1 1 A 64 64 LEU CA C 62 57.619 57.815 -0.196 1
1 820 . 11 1 1 A 64 64 LEU CB C 62 41.868 41.408 0.460 1
1 824 . 11 1 1 A 64 64 LEU N N 62 119.052 119.981 -0.929 1
1 825 . 11 1 1 A 65 65 GLU H H 63 7.884 8.620 -0.736 1
1 826 . 11 1 1 A 65 65 GLU HA H 63 3.998 4.128 -0.130 1
1 831 . 11 1 1 A 65 65 GLU C C 63 178.447 177.950 0.497 1
1 832 . 11 1 1 A 65 65 GLU CA C 63 59.143 57.940 1.203 1
1 833 . 11 1 1 A 65 65 GLU CB C 63 29.708 28.241 1.467 1
1 835 . 11 1 1 A 65 65 GLU N N 63 118.310 117.896 0.414 1
1 836 . 11 1 1 A 66 66 LYS H H 64 7.576 7.905 -0.329 1
1 837 . 11 1 1 A 66 66 LYS HA H 64 4.208 4.353 -0.145 1
1 846 . 11 1 1 A 66 66 LYS C C 64 177.941 178.359 -0.418 1
1 847 . 11 1 1 A 66 66 LYS CA C 64 57.543 57.874 -0.331 1
1 848 . 11 1 1 A 66 66 LYS CB C 64 32.620 33.283 -0.663 1
1 852 . 11 1 1 A 66 66 LYS N N 64 117.398 119.788 -2.390 1
1 853 . 11 1 1 A 67 67 ALA H H 65 7.934 8.427 -0.493 1
1 854 . 11 1 1 A 67 67 ALA HA H 65 4.106 3.925 0.181 1
1 858 . 11 1 1 A 67 67 ALA C C 65 178.624 180.422 -1.798 1
1 859 . 11 1 1 A 67 67 ALA CA C 65 53.790 54.743 -0.953 1
1 860 . 11 1 1 A 67 67 ALA CB C 65 19.106 17.923 1.183 1
1 861 . 11 1 1 A 67 67 ALA N N 65 121.561 121.738 -0.177 1
1 862 . 11 1 1 A 68 68 LEU H H 66 7.835 7.892 -0.057 1
1 863 . 11 1 1 A 68 68 LEU HA H 66 4.268 3.983 0.285 1
1 873 . 11 1 1 A 68 68 LEU CA C 66 55.593 57.541 -1.948 1
1 874 . 11 1 1 A 68 68 LEU CB C 66 42.191 41.374 0.817 1
1 877 . 11 1 1 A 68 68 LEU N N 66 117.270 118.640 -1.370 1
1 878 . 11 1 1 A 69 69 ASN H H 67 7.914 7.941 -0.027 1
1 879 . 11 1 1 A 69 69 ASN HA H 67 4.731 4.396 0.335 1
1 884 . 11 1 1 A 69 69 ASN C C 67 174.039 176.800 -2.761 1
1 885 . 11 1 1 A 69 69 ASN CA C 67 53.328 56.624 -3.296 1
1 886 . 11 1 1 A 69 69 ASN CB C 67 39.091 39.062 0.029 1
1 887 . 11 1 1 A 69 69 ASN N N 67 118.309 118.110 0.199 1
1 18 . 12 1 1 A 4 4 PRO HA H 2 4.447 4.756 -0.309 1
1 25 . 12 1 1 A 4 4 PRO C C 2 176.996 175.870 1.126 1
1 26 . 12 1 1 A 4 4 PRO CA C 2 63.494 62.396 1.098 1
1 27 . 12 1 1 A 4 4 PRO CB C 2 32.161 29.901 2.260 1
1 30 . 12 1 1 A 5 5 VAL H H 3 8.292 8.082 0.210 1
1 31 . 12 1 1 A 5 5 VAL HA H 3 4.074 4.866 -0.792 1
1 39 . 12 1 1 A 5 5 VAL C C 3 176.376 174.258 2.118 1
1 40 . 12 1 1 A 5 5 VAL CA C 3 62.495 59.188 3.307 1
1 41 . 12 1 1 A 5 5 VAL CB C 3 32.808 34.834 -2.026 1
1 43 . 12 1 1 A 5 5 VAL N N 3 121.008 117.889 3.119 1
1 44 . 12 1 1 A 6 6 SER H H 4 8.313 8.928 -0.615 1
1 45 . 12 1 1 A 6 6 SER HA H 4 4.419 4.740 -0.321 1
1 48 . 12 1 1 A 6 6 SER C C 4 174.577 173.969 0.608 1
1 49 . 12 1 1 A 6 6 SER CA C 4 58.148 58.189 -0.041 1
1 50 . 12 1 1 A 6 6 SER CB C 4 63.870 62.071 1.799 1
1 51 . 12 1 1 A 6 6 SER N N 4 119.573 120.512 -0.939 1
1 52 . 12 1 1 A 7 7 LEU H H 5 8.326 8.616 -0.290 1
1 53 . 12 1 1 A 7 7 LEU HA H 5 4.342 4.412 -0.070 1
1 63 . 12 1 1 A 7 7 LEU C C 5 177.341 176.890 0.451 1
1 64 . 12 1 1 A 7 7 LEU CA C 5 55.388 55.189 0.199 1
1 65 . 12 1 1 A 7 7 LEU CB C 5 42.650 42.770 -0.120 1
1 68 . 12 1 1 A 7 7 LEU N N 5 125.039 128.126 -3.087 1
1 69 . 12 1 1 A 8 8 SER H H 6 8.157 7.825 0.332 1
1 70 . 12 1 1 A 8 8 SER HA H 6 4.360 4.663 -0.303 1
1 73 . 12 1 1 A 8 8 SER C C 6 174.189 172.676 1.513 1
1 74 . 12 1 1 A 8 8 SER CA C 6 58.433 57.039 1.394 1
1 75 . 12 1 1 A 8 8 SER CB C 6 63.870 64.104 -0.234 1
1 76 . 12 1 1 A 8 8 SER N N 6 116.154 113.403 2.751 1
1 77 . 12 1 1 A 9 9 TYR H H 7 8.017 9.038 -1.021 1
1 78 . 12 1 1 A 9 9 TYR HA H 7 4.512 4.704 -0.192 1
1 85 . 12 1 1 A 9 9 TYR C C 7 175.520 173.896 1.624 1
1 86 . 12 1 1 A 9 9 TYR CA C 7 58.008 57.252 0.756 1
1 87 . 12 1 1 A 9 9 TYR CB C 7 38.956 39.048 -0.092 1
1 90 . 12 1 1 A 9 9 TYR N N 7 122.213 128.413 -6.200 1
1 91 . 12 1 1 A 10 10 ARG H H 8 8.152 8.464 -0.312 1
1 92 . 12 1 1 A 10 10 ARG HA H 8 4.260 4.502 -0.242 1
1 99 . 12 1 1 A 10 10 ARG C C 8 175.918 175.760 0.158 1
1 100 . 12 1 1 A 10 10 ARG CA C 8 56.104 54.468 1.636 1
1 101 . 12 1 1 A 10 10 ARG CB C 8 30.875 29.119 1.756 1
1 104 . 12 1 1 A 10 10 ARG N N 8 122.182 127.263 -5.081 1
1 105 . 12 1 1 A 11 11 CYS H H 9 8.132 8.255 -0.123 1
1 106 . 12 1 1 A 11 11 CYS HA H 9 4.935 4.619 0.316 1
1 109 . 12 1 1 A 11 11 CYS C C 9 173.615 175.071 -1.456 1
1 110 . 12 1 1 A 11 11 CYS CA C 9 53.127 58.270 -5.143 1
1 111 . 12 1 1 A 11 11 CYS CB C 9 40.201 41.284 -1.083 1
1 112 . 12 1 1 A 11 11 CYS N N 9 121.280 120.744 0.536 1
1 113 . 12 1 1 A 12 12 PRO HA H 10 4.290 4.431 -0.141 1
1 120 . 12 1 1 A 12 12 PRO C C 10 177.703 177.039 0.664 1
1 121 . 12 1 1 A 12 12 PRO CA C 10 64.835 65.361 -0.526 1
1 122 . 12 1 1 A 12 12 PRO CB C 10 32.484 31.581 0.903 1
1 125 . 12 1 1 A 13 13 CYS H H 11 8.300 7.449 0.851 1
1 126 . 12 1 1 A 13 13 CYS HA H 11 4.891 4.946 -0.055 1
1 129 . 12 1 1 A 13 13 CYS C C 11 174.202 173.276 0.926 1
1 130 . 12 1 1 A 13 13 CYS CA C 11 53.480 55.385 -1.905 1
1 131 . 12 1 1 A 13 13 CYS CB C 11 39.603 44.777 -5.174 1
1 132 . 12 1 1 A 13 13 CYS N N 11 114.161 115.099 -0.938 1
1 133 . 12 1 1 A 14 14 ARG HA H 12 3.963 3.874 0.089 1
1 140 . 12 1 1 A 14 14 ARG C C 12 175.202 174.964 0.238 1
1 141 . 12 1 1 A 14 14 ARG CA C 12 57.293 57.595 -0.302 1
1 142 . 12 1 1 A 14 14 ARG CB C 12 31.099 30.821 0.278 1
1 145 . 12 1 1 A 15 15 PHE H H 13 7.543 7.498 0.045 1
1 146 . 12 1 1 A 15 15 PHE HA H 13 4.496 4.994 -0.498 1
1 154 . 12 1 1 A 15 15 PHE C C 13 174.226 174.236 -0.010 1
1 155 . 12 1 1 A 15 15 PHE CA C 13 55.971 55.831 0.140 1
1 156 . 12 1 1 A 15 15 PHE CB C 13 41.032 42.817 -1.785 1
1 160 . 12 1 1 A 15 15 PHE N N 13 116.175 116.019 0.156 1
1 161 . 12 1 1 A 16 16 PHE H H 14 8.305 9.013 -0.708 1
1 162 . 12 1 1 A 16 16 PHE HA H 14 4.812 5.325 -0.513 1
1 170 . 12 1 1 A 16 16 PHE C C 14 175.247 175.142 0.105 1
1 171 . 12 1 1 A 16 16 PHE CA C 14 55.559 56.388 -0.829 1
1 172 . 12 1 1 A 16 16 PHE CB C 14 41.220 42.464 -1.244 1
1 176 . 12 1 1 A 16 16 PHE N N 14 119.656 119.644 0.012 1
1 177 . 12 1 1 A 17 17 GLU H H 15 8.879 9.099 -0.220 1
1 178 . 12 1 1 A 17 17 GLU HA H 15 4.536 4.767 -0.231 1
1 183 . 12 1 1 A 17 17 GLU C C 15 176.747 176.983 -0.236 1
1 184 . 12 1 1 A 17 17 GLU CA C 15 56.012 55.444 0.568 1
1 185 . 12 1 1 A 17 17 GLU CB C 15 30.876 29.484 1.392 1
1 187 . 12 1 1 A 17 17 GLU N N 15 122.563 123.212 -0.649 1
1 188 . 12 1 1 A 18 18 SER H H 16 8.810 8.938 -0.128 1
1 189 . 12 1 1 A 18 18 SER HA H 16 4.673 4.539 0.134 1
1 192 . 12 1 1 A 18 18 SER C C 16 174.278 175.262 -0.984 1
1 193 . 12 1 1 A 18 18 SER CA C 16 59.799 60.432 -0.633 1
1 194 . 12 1 1 A 18 18 SER CB C 16 63.999 63.370 0.629 1
1 195 . 12 1 1 A 18 18 SER N N 16 119.679 119.089 0.590 1
1 196 . 12 1 1 A 19 19 HIS H H 17 8.712 8.071 0.641 1
1 197 . 12 1 1 A 19 19 HIS HA H 17 4.777 4.588 0.189 1
1 202 . 12 1 1 A 19 19 HIS C C 17 174.580 175.265 -0.685 1
1 203 . 12 1 1 A 19 19 HIS CA C 17 56.240 56.836 -0.596 1
1 204 . 12 1 1 A 19 19 HIS CB C 17 29.896 29.937 -0.041 1
1 207 . 12 1 1 A 19 19 HIS N N 17 120.269 121.132 -0.863 1
1 208 . 12 1 1 A 20 20 VAL H H 18 7.145 7.406 -0.261 1
1 209 . 12 1 1 A 20 20 VAL HA H 18 4.132 4.090 0.042 1
1 217 . 12 1 1 A 20 20 VAL C C 18 174.138 175.173 -1.035 1
1 218 . 12 1 1 A 20 20 VAL CA C 18 61.605 61.815 -0.210 1
1 219 . 12 1 1 A 20 20 VAL CB C 18 34.102 32.952 1.150 1
1 221 . 12 1 1 A 20 20 VAL N N 18 120.100 120.511 -0.411 1
1 222 . 12 1 1 A 21 21 ALA H H 19 8.554 8.375 0.179 1
1 223 . 12 1 1 A 21 21 ALA HA H 19 4.353 4.386 -0.033 1
1 227 . 12 1 1 A 21 21 ALA C C 19 177.514 177.702 -0.188 1
1 228 . 12 1 1 A 21 21 ALA CA C 19 50.666 50.154 0.512 1
1 229 . 12 1 1 A 21 21 ALA CB C 19 19.648 21.065 -1.417 1
1 230 . 12 1 1 A 21 21 ALA N N 19 131.180 129.676 1.504 1
1 231 . 12 1 1 A 22 22 ARG H H 20 7.813 8.016 -0.203 1
1 232 . 12 1 1 A 22 22 ARG HA H 20 2.621 2.890 -0.269 1
1 239 . 12 1 1 A 22 22 ARG C C 20 178.531 177.668 0.863 1
1 240 . 12 1 1 A 22 22 ARG CA C 20 59.155 58.801 0.354 1
1 241 . 12 1 1 A 22 22 ARG CB C 20 29.167 29.254 -0.087 1
1 244 . 12 1 1 A 22 22 ARG N N 20 124.436 120.227 4.209 1
1 245 . 12 1 1 A 23 23 ALA H H 21 8.191 7.739 0.452 1
1 246 . 12 1 1 A 23 23 ALA HA H 21 4.023 4.032 -0.009 1
1 250 . 12 1 1 A 23 23 ALA C C 21 177.743 178.472 -0.729 1
1 251 . 12 1 1 A 23 23 ALA CA C 21 53.809 54.047 -0.238 1
1 252 . 12 1 1 A 23 23 ALA CB C 21 18.712 18.091 0.621 1
1 253 . 12 1 1 A 23 23 ALA N N 21 117.354 121.299 -3.945 1
1 254 . 12 1 1 A 24 24 ASN H H 22 7.738 7.800 -0.062 1
1 255 . 12 1 1 A 24 24 ASN HA H 22 4.928 4.766 0.162 1
1 260 . 12 1 1 A 24 24 ASN C C 22 174.889 175.146 -0.257 1
1 261 . 12 1 1 A 24 24 ASN CA C 22 52.590 52.560 0.030 1
1 262 . 12 1 1 A 24 24 ASN CB C 22 40.335 38.718 1.617 1
1 263 . 12 1 1 A 24 24 ASN N N 22 112.797 115.358 -2.561 1
1 265 . 12 1 1 A 25 25 VAL H H 23 7.438 7.700 -0.262 1
1 266 . 12 1 1 A 25 25 VAL HA H 23 4.349 4.508 -0.159 1
1 274 . 12 1 1 A 25 25 VAL C C 23 174.594 175.751 -1.157 1
1 275 . 12 1 1 A 25 25 VAL CA C 23 62.406 62.287 0.119 1
1 276 . 12 1 1 A 25 25 VAL CB C 23 33.445 32.232 1.213 1
1 278 . 12 1 1 A 25 25 VAL N N 23 118.653 120.328 -1.675 1
1 279 . 12 1 1 A 26 26 LYS H H 24 9.262 9.767 -0.505 1
1 280 . 12 1 1 A 26 26 LYS HA H 24 4.394 4.301 0.093 1
1 289 . 12 1 1 A 26 26 LYS C C 24 175.247 175.749 -0.502 1
1 290 . 12 1 1 A 26 26 LYS CA C 24 56.483 57.917 -1.434 1
1 291 . 12 1 1 A 26 26 LYS CB C 24 35.022 33.478 1.544 1
1 295 . 12 1 1 A 26 26 LYS N N 24 125.308 129.715 -4.407 1
1 296 . 12 1 1 A 27 27 HIS H H 25 7.749 8.047 -0.298 1
1 297 . 12 1 1 A 27 27 HIS HA H 25 4.625 5.024 -0.399 1
1 302 . 12 1 1 A 27 27 HIS C C 25 173.157 173.599 -0.442 1
1 303 . 12 1 1 A 27 27 HIS CA C 25 55.916 54.160 1.756 1
1 304 . 12 1 1 A 27 27 HIS CB C 25 32.808 33.272 -0.464 1
1 307 . 12 1 1 A 27 27 HIS N N 25 115.509 117.905 -2.396 1
1 308 . 12 1 1 A 28 28 LEU H H 26 8.117 8.338 -0.221 1
1 309 . 12 1 1 A 28 28 LEU HA H 26 4.990 5.210 -0.220 1
1 319 . 12 1 1 A 28 28 LEU C C 26 175.514 173.554 1.960 1
1 320 . 12 1 1 A 28 28 LEU CA C 26 54.662 53.990 0.672 1
1 321 . 12 1 1 A 28 28 LEU CB C 26 45.594 45.034 0.560 1
1 325 . 12 1 1 A 29 29 LYS H H 27 9.028 9.638 -0.610 1
1 326 . 12 1 1 A 29 29 LYS HA H 27 4.585 5.084 -0.499 1
1 335 . 12 1 1 A 29 29 LYS C C 27 173.758 174.898 -1.140 1
1 336 . 12 1 1 A 29 29 LYS CA C 27 54.945 54.528 0.417 1
1 337 . 12 1 1 A 29 29 LYS CB C 27 36.358 35.956 0.402 1
1 341 . 12 1 1 A 29 29 LYS N N 27 122.904 127.990 -5.086 1
1 342 . 12 1 1 A 30 30 ILE H H 28 8.540 8.939 -0.399 1
1 343 . 12 1 1 A 30 30 ILE HA H 28 4.626 4.844 -0.218 1
1 353 . 12 1 1 A 30 30 ILE C C 28 175.988 173.908 2.080 1
1 354 . 12 1 1 A 30 30 ILE CA C 28 60.122 60.033 0.089 1
1 355 . 12 1 1 A 30 30 ILE CB C 28 38.795 39.171 -0.376 1
1 359 . 12 1 1 A 30 30 ILE N N 28 123.517 126.272 -2.755 1
1 360 . 12 1 1 A 31 31 LEU H H 29 8.961 9.287 -0.326 1
1 361 . 12 1 1 A 31 31 LEU HA H 29 4.564 5.295 -0.731 1
1 371 . 12 1 1 A 31 31 LEU C C 29 176.005 174.398 1.607 1
1 372 . 12 1 1 A 31 31 LEU CA C 29 53.975 53.505 0.470 1
1 373 . 12 1 1 A 31 31 LEU CB C 29 43.485 45.736 -2.251 1
1 376 . 12 1 1 A 31 31 LEU N N 29 128.881 130.413 -1.532 1
1 377 . 12 1 1 A 32 32 ASN H H 30 8.763 8.974 -0.211 1
1 378 . 12 1 1 A 32 32 ASN HA H 30 4.991 5.560 -0.569 1
1 383 . 12 1 1 A 32 32 ASN C C 30 174.462 174.138 0.324 1
1 384 . 12 1 1 A 32 32 ASN CA C 30 52.413 51.882 0.531 1
1 385 . 12 1 1 A 32 32 ASN CB C 30 39.238 42.298 -3.060 1
1 386 . 12 1 1 A 32 32 ASN N N 30 124.019 127.395 -3.376 1
1 388 . 12 1 1 A 33 33 THR H H 31 8.170 8.747 -0.577 1
1 389 . 12 1 1 A 33 33 THR HA H 31 4.628 4.759 -0.131 1
1 394 . 12 1 1 A 33 33 THR CA C 31 59.475 58.828 0.647 1
1 395 . 12 1 1 A 33 33 THR CB C 31 70.435 71.520 -1.085 1
1 397 . 12 1 1 A 33 33 THR N N 31 119.276 119.993 -0.717 1
1 398 . 12 1 1 A 34 34 PRO HA H 32 4.223 4.284 -0.061 1
1 405 . 12 1 1 A 34 34 PRO C C 32 176.814 177.724 -0.910 1
1 406 . 12 1 1 A 34 34 PRO CA C 32 64.445 65.921 -1.476 1
1 407 . 12 1 1 A 34 34 PRO CB C 32 32.161 31.552 0.609 1
1 410 . 12 1 1 A 35 35 ASN H H 33 8.574 8.573 0.001 1
1 411 . 12 1 1 A 35 35 ASN HA H 33 4.320 4.785 -0.465 1
1 416 . 12 1 1 A 35 35 ASN C C 33 174.344 174.068 0.276 1
1 417 . 12 1 1 A 35 35 ASN CA C 33 54.945 53.037 1.908 1
1 418 . 12 1 1 A 35 35 ASN CB C 33 38.122 38.827 -0.705 1
1 419 . 12 1 1 A 35 35 ASN N N 33 113.042 113.552 -0.510 1
1 421 . 12 1 1 A 36 36 CYS H H 34 7.554 7.744 -0.190 1
1 422 . 12 1 1 A 36 36 CYS HA H 34 4.891 5.160 -0.269 1
1 425 . 12 1 1 A 36 36 CYS C C 34 173.880 172.549 1.331 1
1 426 . 12 1 1 A 36 36 CYS CA C 34 54.622 54.806 -0.184 1
1 427 . 12 1 1 A 36 36 CYS CB C 34 44.780 47.882 -3.102 1
1 428 . 12 1 1 A 36 36 CYS N N 34 116.301 116.970 -0.669 1
1 429 . 12 1 1 A 37 37 ALA H H 35 8.418 8.612 -0.194 1
1 430 . 12 1 1 A 37 37 ALA HA H 35 4.237 4.526 -0.289 1
1 434 . 12 1 1 A 37 37 ALA C C 35 176.677 177.481 -0.804 1
1 435 . 12 1 1 A 37 37 ALA CA C 35 52.413 50.667 1.746 1
1 436 . 12 1 1 A 37 37 ALA CB C 35 18.992 20.542 -1.550 1
1 437 . 12 1 1 A 37 37 ALA N N 35 125.001 124.498 0.503 1
1 438 . 12 1 1 A 38 38 LEU H H 36 8.060 8.656 -0.596 1
1 439 . 12 1 1 A 38 38 LEU HA H 36 4.203 4.384 -0.181 1
1 449 . 12 1 1 A 38 38 LEU C C 36 176.194 176.109 0.085 1
1 450 . 12 1 1 A 38 38 LEU CA C 36 56.563 54.933 1.630 1
1 451 . 12 1 1 A 38 38 LEU CB C 36 42.488 42.449 0.039 1
1 455 . 12 1 1 A 38 38 LEU N N 36 121.548 119.476 2.072 1
1 456 . 12 1 1 A 39 39 GLN H H 37 8.434 8.787 -0.353 1
1 457 . 12 1 1 A 39 39 GLN HA H 37 4.623 5.118 -0.495 1
1 464 . 12 1 1 A 39 39 GLN C C 37 173.581 174.867 -1.286 1
1 465 . 12 1 1 A 39 39 GLN CA C 37 54.109 54.504 -0.395 1
1 466 . 12 1 1 A 39 39 GLN CB C 37 32.286 30.709 1.577 1
1 468 . 12 1 1 A 39 39 GLN N N 37 123.271 121.669 1.602 1
1 470 . 12 1 1 A 40 40 ILE H H 38 9.408 8.497 0.911 1
1 471 . 12 1 1 A 40 40 ILE HA H 38 4.735 4.937 -0.202 1
1 481 . 12 1 1 A 40 40 ILE C C 38 174.547 175.429 -0.882 1
1 482 . 12 1 1 A 40 40 ILE CA C 38 60.122 59.863 0.259 1
1 483 . 12 1 1 A 40 40 ILE CB C 38 38.899 38.594 0.305 1
1 487 . 12 1 1 A 40 40 ILE N N 38 124.702 126.165 -1.463 1
1 488 . 12 1 1 A 41 41 VAL H H 39 8.826 9.791 -0.965 1
1 489 . 12 1 1 A 41 41 VAL HA H 39 5.041 4.798 0.243 1
1 497 . 12 1 1 A 41 41 VAL C C 39 174.772 175.290 -0.518 1
1 498 . 12 1 1 A 41 41 VAL CA C 39 60.111 61.498 -1.387 1
1 499 . 12 1 1 A 41 41 VAL CB C 39 34.767 33.316 1.451 1
1 501 . 12 1 1 A 41 41 VAL N N 39 124.047 129.175 -5.128 1
1 502 . 12 1 1 A 42 42 ALA H H 40 9.299 9.614 -0.315 1
1 503 . 12 1 1 A 42 42 ALA HA H 40 5.276 5.937 -0.661 1
1 507 . 12 1 1 A 42 42 ALA C C 40 175.955 175.944 0.011 1
1 508 . 12 1 1 A 42 42 ALA CA C 40 50.093 50.274 -0.181 1
1 509 . 12 1 1 A 42 42 ALA CB C 40 23.800 23.506 0.294 1
1 510 . 12 1 1 A 42 42 ALA N N 40 126.567 129.477 -2.910 1
1 511 . 12 1 1 A 43 43 ARG H H 41 8.398 8.831 -0.433 1
1 512 . 12 1 1 A 43 43 ARG HA H 41 5.131 5.103 0.028 1
1 519 . 12 1 1 A 43 43 ARG C C 41 176.184 175.182 1.002 1
1 520 . 12 1 1 A 43 43 ARG CA C 41 53.900 54.846 -0.946 1
1 521 . 12 1 1 A 43 43 ARG CB C 41 32.161 33.715 -1.554 1
1 524 . 12 1 1 A 43 43 ARG N N 41 118.991 119.126 -0.135 1
1 525 . 12 1 1 A 44 44 LEU H H 42 8.988 9.552 -0.564 1
1 526 . 12 1 1 A 44 44 LEU HA H 42 4.925 5.060 -0.135 1
1 536 . 12 1 1 A 44 44 LEU C C 42 178.369 176.442 1.927 1
1 537 . 12 1 1 A 44 44 LEU CA C 42 54.329 54.589 -0.260 1
1 538 . 12 1 1 A 44 44 LEU CB C 42 41.497 41.809 -0.312 1
1 542 . 12 1 1 A 44 44 LEU N N 42 125.637 125.277 0.360 1
1 543 . 12 1 1 A 45 45 LYS H H 43 8.470 9.456 -0.986 1
1 544 . 12 1 1 A 45 45 LYS HA H 43 3.823 4.016 -0.193 1
1 553 . 12 1 1 A 45 45 LYS CA C 43 59.340 59.372 -0.032 1
1 554 . 12 1 1 A 45 45 LYS CB C 43 33.445 32.553 0.892 1
1 558 . 12 1 1 A 45 45 LYS N N 43 120.489 123.018 -2.529 1
1 559 . 12 1 1 A 46 46 ASN HA H 44 4.421 4.596 -0.175 1
1 564 . 12 1 1 A 46 46 ASN C C 44 175.970 175.984 -0.014 1
1 565 . 12 1 1 A 46 46 ASN CA C 44 55.457 55.283 0.174 1
1 566 . 12 1 1 A 46 46 ASN CB C 44 37.507 38.773 -1.266 1
1 568 . 12 1 1 A 47 47 ASN H H 45 7.483 7.956 -0.473 1
1 569 . 12 1 1 A 47 47 ASN HA H 45 4.706 4.853 -0.147 1
1 574 . 12 1 1 A 47 47 ASN C C 45 175.461 175.254 0.207 1
1 575 . 12 1 1 A 47 47 ASN CA C 45 52.769 53.841 -1.072 1
1 576 . 12 1 1 A 47 47 ASN CB C 45 39.194 39.955 -0.761 1
1 577 . 12 1 1 A 47 47 ASN N N 45 115.277 115.775 -0.498 1
1 579 . 12 1 1 A 48 48 ASN H H 46 7.995 7.985 0.010 1
1 580 . 12 1 1 A 48 48 ASN HA H 46 4.661 4.913 -0.252 1
1 585 . 12 1 1 A 48 48 ASN C C 46 174.812 174.132 0.680 1
1 586 . 12 1 1 A 48 48 ASN CA C 46 54.298 54.898 -0.600 1
1 587 . 12 1 1 A 48 48 ASN CB C 46 39.103 36.817 2.286 1
1 588 . 12 1 1 A 48 48 ASN N N 46 116.416 116.458 -0.042 1
1 590 . 12 1 1 A 49 49 ARG H H 47 7.940 7.924 0.016 1
1 591 . 12 1 1 A 49 49 ARG HA H 47 4.205 4.476 -0.271 1
1 598 . 12 1 1 A 49 49 ARG C C 47 175.719 175.085 0.634 1
1 599 . 12 1 1 A 49 49 ARG CA C 47 57.084 55.694 1.390 1
1 600 . 12 1 1 A 49 49 ARG CB C 47 31.792 31.787 0.005 1
1 603 . 12 1 1 A 49 49 ARG N N 47 120.017 119.247 0.770 1
1 604 . 12 1 1 A 50 50 GLN H H 48 8.641 8.565 0.076 1
1 605 . 12 1 1 A 50 50 GLN HA H 48 5.240 5.326 -0.086 1
1 612 . 12 1 1 A 50 50 GLN C C 48 175.697 174.583 1.114 1
1 613 . 12 1 1 A 50 50 GLN CA C 48 55.454 54.819 0.635 1
1 614 . 12 1 1 A 50 50 GLN CB C 48 30.959 31.081 -0.122 1
1 616 . 12 1 1 A 50 50 GLN N N 48 123.029 120.810 2.219 1
1 618 . 12 1 1 A 51 51 VAL H H 49 9.018 9.105 -0.087 1
1 619 . 12 1 1 A 51 51 VAL HA H 49 4.745 4.684 0.061 1
1 627 . 12 1 1 A 51 51 VAL C C 49 174.561 174.269 0.292 1
1 628 . 12 1 1 A 51 51 VAL CA C 49 59.266 60.063 -0.797 1
1 629 . 12 1 1 A 51 51 VAL CB C 49 35.845 35.073 0.772 1
1 632 . 12 1 1 A 51 51 VAL N N 49 119.358 121.981 -2.623 1
1 633 . 12 1 1 A 52 52 CYS H H 50 8.895 8.690 0.205 1
1 634 . 12 1 1 A 52 52 CYS HA H 50 5.636 5.392 0.244 1
1 637 . 12 1 1 A 52 52 CYS C C 50 174.469 173.702 0.767 1
1 638 . 12 1 1 A 52 52 CYS CA C 50 56.377 54.744 1.633 1
1 639 . 12 1 1 A 52 52 CYS CB C 50 44.680 43.661 1.019 1
1 640 . 12 1 1 A 52 52 CYS N N 50 120.834 123.177 -2.343 1
1 641 . 12 1 1 A 53 53 ILE H H 51 8.615 9.600 -0.985 1
1 642 . 12 1 1 A 53 53 ILE HA H 51 4.512 4.583 -0.071 1
1 652 . 12 1 1 A 53 53 ILE C C 51 174.137 174.789 -0.652 1
1 653 . 12 1 1 A 53 53 ILE CA C 51 59.397 60.229 -0.832 1
1 654 . 12 1 1 A 53 53 ILE CB C 51 39.603 39.569 0.034 1
1 658 . 12 1 1 A 53 53 ILE N N 51 122.392 126.360 -3.968 1
1 659 . 12 1 1 A 54 54 ASP H H 52 7.766 8.343 -0.577 1
1 660 . 12 1 1 A 54 54 ASP HA H 52 3.572 3.683 -0.111 1
1 663 . 12 1 1 A 54 54 ASP CA C 52 51.578 51.427 0.151 1
1 664 . 12 1 1 A 54 54 ASP CB C 52 42.381 41.744 0.637 1
1 665 . 12 1 1 A 54 54 ASP N N 52 126.398 126.527 -0.129 1
1 666 . 12 1 1 A 55 55 PRO HA H 53 4.011 4.222 -0.211 1
1 673 . 12 1 1 A 55 55 PRO C C 53 176.274 177.569 -1.295 1
1 674 . 12 1 1 A 55 55 PRO CA C 53 63.546 63.967 -0.421 1
1 675 . 12 1 1 A 55 55 PRO CB C 53 32.270 31.664 0.606 1
1 678 . 12 1 1 A 56 56 LYS H H 54 8.053 7.958 0.095 1
1 679 . 12 1 1 A 56 56 LYS HA H 54 3.982 4.134 -0.152 1
1 688 . 12 1 1 A 56 56 LYS C C 54 177.867 177.005 0.862 1
1 689 . 12 1 1 A 56 56 LYS CA C 54 56.189 57.470 -1.281 1
1 690 . 12 1 1 A 56 56 LYS CB C 54 31.649 32.563 -0.914 1
1 694 . 12 1 1 A 56 56 LYS N N 54 115.161 116.504 -1.343 1
1 695 . 12 1 1 A 57 57 LEU H H 55 7.145 7.087 0.058 1
1 696 . 12 1 1 A 57 57 LEU HA H 55 4.027 4.149 -0.122 1
1 706 . 12 1 1 A 57 57 LEU C C 55 179.221 177.402 1.819 1
1 707 . 12 1 1 A 57 57 LEU CA C 55 14.371 55.356 -40.985 1
1 708 . 12 1 1 A 57 57 LEU CB C 55 41.739 41.821 -0.082 1
1 712 . 12 1 1 A 57 57 LEU N N 55 120.921 120.814 0.107 1
1 713 . 12 1 1 A 58 58 LYS H H 56 8.798 8.783 0.015 1
1 714 . 12 1 1 A 58 58 LYS HA H 56 3.937 3.975 -0.038 1
1 723 . 12 1 1 A 58 58 LYS C C 56 179.161 178.414 0.747 1
1 724 . 12 1 1 A 58 58 LYS CA C 56 60.116 58.861 1.255 1
1 725 . 12 1 1 A 58 58 LYS CB C 56 32.100 32.385 -0.285 1
1 729 . 12 1 1 A 58 58 LYS N N 56 125.449 124.194 1.255 1
1 730 . 12 1 1 A 59 59 TRP H H 57 7.821 8.070 -0.249 1
1 731 . 12 1 1 A 59 59 TRP HA H 57 4.636 4.627 0.009 1
1 740 . 12 1 1 A 59 59 TRP C C 57 178.642 178.541 0.101 1
1 741 . 12 1 1 A 59 59 TRP CA C 57 58.388 59.413 -1.025 1
1 742 . 12 1 1 A 59 59 TRP CB C 57 27.954 27.789 0.165 1
1 748 . 12 1 1 A 59 59 TRP N N 57 113.650 119.550 -5.900 1
1 750 . 12 1 1 A 60 60 ILE H H 58 6.340 7.532 -1.192 1
1 751 . 12 1 1 A 60 60 ILE HA H 58 3.620 3.485 0.135 1
1 761 . 12 1 1 A 60 60 ILE C C 58 177.104 177.528 -0.424 1
1 762 . 12 1 1 A 60 60 ILE CA C 58 61.605 63.921 -2.316 1
1 763 . 12 1 1 A 60 60 ILE CB C 58 36.043 36.737 -0.694 1
1 767 . 12 1 1 A 60 60 ILE N N 58 123.265 121.575 1.690 1
1 768 . 12 1 1 A 61 61 GLN H H 59 7.710 8.278 -0.568 1
1 769 . 12 1 1 A 61 61 GLN HA H 59 3.824 3.931 -0.107 1
1 776 . 12 1 1 A 61 61 GLN C C 59 178.933 178.766 0.167 1
1 777 . 12 1 1 A 61 61 GLN CA C 59 59.663 58.926 0.737 1
1 778 . 12 1 1 A 61 61 GLN CB C 59 27.972 28.270 -0.298 1
1 780 . 12 1 1 A 61 61 GLN N N 59 120.515 119.071 1.444 1
1 782 . 12 1 1 A 62 62 GLU H H 60 8.042 8.234 -0.192 1
1 783 . 12 1 1 A 62 62 GLU HA H 60 4.093 4.410 -0.317 1
1 788 . 12 1 1 A 62 62 GLU C C 60 178.539 178.537 0.002 1
1 789 . 12 1 1 A 62 62 GLU CA C 60 59.152 59.391 -0.239 1
1 790 . 12 1 1 A 62 62 GLU CB C 60 29.896 29.107 0.789 1
1 792 . 12 1 1 A 62 62 GLU N N 60 117.976 118.689 -0.713 1
1 793 . 12 1 1 A 63 63 TYR H H 61 7.882 7.619 0.263 1
1 794 . 12 1 1 A 63 63 TYR HA H 61 4.214 4.282 -0.068 1
1 801 . 12 1 1 A 63 63 TYR C C 61 178.157 177.109 1.048 1
1 802 . 12 1 1 A 63 63 TYR CA C 61 61.281 61.526 -0.245 1
1 803 . 12 1 1 A 63 63 TYR CB C 61 38.956 38.760 0.196 1
1 806 . 12 1 1 A 63 63 TYR N N 61 120.743 122.194 -1.451 1
1 807 . 12 1 1 A 64 64 LEU H H 62 8.438 8.970 -0.532 1
1 808 . 12 1 1 A 64 64 LEU HA H 62 3.886 3.632 0.254 1
1 818 . 12 1 1 A 64 64 LEU C C 62 178.678 179.033 -0.355 1
1 819 . 12 1 1 A 64 64 LEU CA C 62 57.619 57.782 -0.163 1
1 820 . 12 1 1 A 64 64 LEU CB C 62 41.868 41.220 0.648 1
1 824 . 12 1 1 A 64 64 LEU N N 62 119.052 119.331 -0.279 1
1 825 . 12 1 1 A 65 65 GLU H H 63 7.884 7.945 -0.061 1
1 826 . 12 1 1 A 65 65 GLU HA H 63 3.998 3.886 0.112 1
1 831 . 12 1 1 A 65 65 GLU C C 63 178.447 178.786 -0.339 1
1 832 . 12 1 1 A 65 65 GLU CA C 63 59.143 59.787 -0.644 1
1 833 . 12 1 1 A 65 65 GLU CB C 63 29.708 29.262 0.446 1
1 835 . 12 1 1 A 65 65 GLU N N 63 118.310 118.820 -0.510 1
1 836 . 12 1 1 A 66 66 LYS H H 64 7.576 7.695 -0.119 1
1 837 . 12 1 1 A 66 66 LYS HA H 64 4.208 4.576 -0.368 1
1 846 . 12 1 1 A 66 66 LYS C C 64 177.941 179.301 -1.360 1
1 847 . 12 1 1 A 66 66 LYS CA C 64 57.543 57.629 -0.086 1
1 848 . 12 1 1 A 66 66 LYS CB C 64 32.620 32.412 0.208 1
1 852 . 12 1 1 A 66 66 LYS N N 64 117.398 117.870 -0.472 1
1 853 . 12 1 1 A 67 67 ALA H H 65 7.934 8.051 -0.117 1
1 854 . 12 1 1 A 67 67 ALA HA H 65 4.106 3.865 0.241 1
1 858 . 12 1 1 A 67 67 ALA C C 65 178.624 179.574 -0.950 1
1 859 . 12 1 1 A 67 67 ALA CA C 65 53.790 54.547 -0.757 1
1 860 . 12 1 1 A 67 67 ALA CB C 65 19.106 17.939 1.167 1
1 861 . 12 1 1 A 67 67 ALA N N 65 121.561 121.766 -0.205 1
1 862 . 12 1 1 A 68 68 LEU H H 66 7.835 7.201 0.634 1
1 863 . 12 1 1 A 68 68 LEU HA H 66 4.268 4.167 0.101 1
1 873 . 12 1 1 A 68 68 LEU CA C 66 55.593 56.852 -1.259 1
1 874 . 12 1 1 A 68 68 LEU CB C 66 42.191 42.896 -0.705 1
1 877 . 12 1 1 A 68 68 LEU N N 66 117.270 116.697 0.573 1
1 878 . 12 1 1 A 69 69 ASN H H 67 7.914 8.436 -0.522 1
1 879 . 12 1 1 A 69 69 ASN HA H 67 4.731 4.929 -0.198 1
1 884 . 12 1 1 A 69 69 ASN C C 67 174.039 174.557 -0.518 1
1 885 . 12 1 1 A 69 69 ASN CA C 67 53.328 52.188 1.140 1
1 886 . 12 1 1 A 69 69 ASN CB C 67 39.091 38.626 0.465 1
1 887 . 12 1 1 A 69 69 ASN N N 67 118.309 116.092 2.217 1
1 18 . 13 1 1 A 4 4 PRO HA H 2 4.447 4.754 -0.307 1
1 25 . 13 1 1 A 4 4 PRO C C 2 176.996 175.724 1.272 1
1 26 . 13 1 1 A 4 4 PRO CA C 2 63.494 62.340 1.154 1
1 27 . 13 1 1 A 4 4 PRO CB C 2 32.161 32.398 -0.237 1
1 30 . 13 1 1 A 5 5 VAL H H 3 8.292 8.596 -0.304 1
1 31 . 13 1 1 A 5 5 VAL HA H 3 4.074 4.218 -0.144 1
1 39 . 13 1 1 A 5 5 VAL C C 3 176.376 174.622 1.754 1
1 40 . 13 1 1 A 5 5 VAL CA C 3 62.495 61.667 0.828 1
1 41 . 13 1 1 A 5 5 VAL CB C 3 32.808 32.881 -0.073 1
1 43 . 13 1 1 A 5 5 VAL N N 3 121.008 121.153 -0.145 1
1 44 . 13 1 1 A 6 6 SER H H 4 8.313 8.727 -0.414 1
1 45 . 13 1 1 A 6 6 SER HA H 4 4.419 4.736 -0.317 1
1 48 . 13 1 1 A 6 6 SER C C 4 174.577 173.321 1.256 1
1 49 . 13 1 1 A 6 6 SER CA C 4 58.148 57.121 1.027 1
1 50 . 13 1 1 A 6 6 SER CB C 4 63.870 63.224 0.646 1
1 51 . 13 1 1 A 6 6 SER N N 4 119.573 122.378 -2.805 1
1 52 . 13 1 1 A 7 7 LEU H H 5 8.326 8.231 0.095 1
1 53 . 13 1 1 A 7 7 LEU HA H 5 4.342 4.879 -0.537 1
1 63 . 13 1 1 A 7 7 LEU C C 5 177.341 175.848 1.493 1
1 64 . 13 1 1 A 7 7 LEU CA C 5 55.388 53.518 1.870 1
1 65 . 13 1 1 A 7 7 LEU CB C 5 42.650 45.025 -2.375 1
1 68 . 13 1 1 A 7 7 LEU N N 5 125.039 129.154 -4.115 1
1 69 . 13 1 1 A 8 8 SER H H 6 8.157 8.893 -0.736 1
1 70 . 13 1 1 A 8 8 SER HA H 6 4.360 4.756 -0.396 1
1 73 . 13 1 1 A 8 8 SER C C 6 174.189 173.543 0.646 1
1 74 . 13 1 1 A 8 8 SER CA C 6 58.433 58.402 0.031 1
1 75 . 13 1 1 A 8 8 SER CB C 6 63.870 63.962 -0.092 1
1 76 . 13 1 1 A 8 8 SER N N 6 116.154 119.195 -3.041 1
1 77 . 13 1 1 A 9 9 TYR H H 7 8.017 8.826 -0.809 1
1 78 . 13 1 1 A 9 9 TYR HA H 7 4.512 4.706 -0.194 1
1 85 . 13 1 1 A 9 9 TYR C C 7 175.520 174.506 1.014 1
1 86 . 13 1 1 A 9 9 TYR CA C 7 58.008 56.966 1.042 1
1 87 . 13 1 1 A 9 9 TYR CB C 7 38.956 38.102 0.854 1
1 90 . 13 1 1 A 9 9 TYR N N 7 122.213 127.758 -5.545 1
1 91 . 13 1 1 A 10 10 ARG H H 8 8.152 8.411 -0.259 1
1 92 . 13 1 1 A 10 10 ARG HA H 8 4.260 4.404 -0.144 1
1 99 . 13 1 1 A 10 10 ARG C C 8 175.918 176.031 -0.113 1
1 100 . 13 1 1 A 10 10 ARG CA C 8 56.104 57.021 -0.917 1
1 101 . 13 1 1 A 10 10 ARG CB C 8 30.875 31.196 -0.321 1
1 104 . 13 1 1 A 10 10 ARG N N 8 122.182 127.158 -4.976 1
1 105 . 13 1 1 A 11 11 CYS H H 9 8.132 7.526 0.606 1
1 106 . 13 1 1 A 11 11 CYS HA H 9 4.935 4.753 0.182 1
1 109 . 13 1 1 A 11 11 CYS C C 9 173.615 173.054 0.561 1
1 110 . 13 1 1 A 11 11 CYS CA C 9 53.127 53.807 -0.680 1
1 111 . 13 1 1 A 11 11 CYS CB C 9 40.201 44.905 -4.704 1
1 112 . 13 1 1 A 11 11 CYS N N 9 121.280 114.639 6.641 1
1 113 . 13 1 1 A 12 12 PRO HA H 10 4.290 4.498 -0.208 1
1 120 . 13 1 1 A 12 12 PRO C C 10 177.703 176.601 1.102 1
1 121 . 13 1 1 A 12 12 PRO CA C 10 64.835 65.375 -0.540 1
1 122 . 13 1 1 A 12 12 PRO CB C 10 32.484 31.503 0.981 1
1 125 . 13 1 1 A 13 13 CYS H H 11 8.300 8.338 -0.038 1
1 126 . 13 1 1 A 13 13 CYS HA H 11 4.891 4.973 -0.082 1
1 129 . 13 1 1 A 13 13 CYS C C 11 174.202 173.348 0.854 1
1 130 . 13 1 1 A 13 13 CYS CA C 11 53.480 55.434 -1.954 1
1 131 . 13 1 1 A 13 13 CYS CB C 11 39.603 43.997 -4.394 1
1 132 . 13 1 1 A 13 13 CYS N N 11 114.161 116.494 -2.333 1
1 133 . 13 1 1 A 14 14 ARG HA H 12 3.963 4.179 -0.216 1
1 140 . 13 1 1 A 14 14 ARG C C 12 175.202 175.613 -0.411 1
1 141 . 13 1 1 A 14 14 ARG CA C 12 57.293 56.872 0.421 1
1 142 . 13 1 1 A 14 14 ARG CB C 12 31.099 30.820 0.279 1
1 145 . 13 1 1 A 15 15 PHE H H 13 7.543 7.697 -0.154 1
1 146 . 13 1 1 A 15 15 PHE HA H 13 4.496 5.020 -0.524 1
1 154 . 13 1 1 A 15 15 PHE C C 13 174.226 174.616 -0.390 1
1 155 . 13 1 1 A 15 15 PHE CA C 13 55.971 56.263 -0.292 1
1 156 . 13 1 1 A 15 15 PHE CB C 13 41.032 42.862 -1.830 1
1 160 . 13 1 1 A 15 15 PHE N N 13 116.175 116.855 -0.680 1
1 161 . 13 1 1 A 16 16 PHE H H 14 8.305 8.892 -0.587 1
1 162 . 13 1 1 A 16 16 PHE HA H 14 4.812 5.012 -0.200 1
1 170 . 13 1 1 A 16 16 PHE C C 14 175.247 176.407 -1.160 1
1 171 . 13 1 1 A 16 16 PHE CA C 14 55.559 56.896 -1.337 1
1 172 . 13 1 1 A 16 16 PHE CB C 14 41.220 41.757 -0.537 1
1 176 . 13 1 1 A 16 16 PHE N N 14 119.656 121.176 -1.520 1
1 177 . 13 1 1 A 17 17 GLU H H 15 8.879 9.409 -0.530 1
1 178 . 13 1 1 A 17 17 GLU HA H 15 4.536 4.041 0.495 1
1 183 . 13 1 1 A 17 17 GLU C C 15 176.747 176.540 0.207 1
1 184 . 13 1 1 A 17 17 GLU CA C 15 56.012 59.575 -3.563 1
1 185 . 13 1 1 A 17 17 GLU CB C 15 30.876 29.624 1.252 1
1 187 . 13 1 1 A 17 17 GLU N N 15 122.563 124.516 -1.953 1
1 188 . 13 1 1 A 18 18 SER H H 16 8.810 8.241 0.569 1
1 189 . 13 1 1 A 18 18 SER HA H 16 4.673 4.536 0.137 1
1 192 . 13 1 1 A 18 18 SER C C 16 174.278 173.562 0.716 1
1 193 . 13 1 1 A 18 18 SER CA C 16 59.799 60.328 -0.529 1
1 194 . 13 1 1 A 18 18 SER CB C 16 63.999 62.991 1.008 1
1 195 . 13 1 1 A 18 18 SER N N 16 119.679 115.442 4.237 1
1 196 . 13 1 1 A 19 19 HIS H H 17 8.712 8.389 0.323 1
1 197 . 13 1 1 A 19 19 HIS HA H 17 4.777 4.843 -0.066 1
1 202 . 13 1 1 A 19 19 HIS C C 17 174.580 173.932 0.648 1
1 203 . 13 1 1 A 19 19 HIS CA C 17 56.240 54.599 1.641 1
1 204 . 13 1 1 A 19 19 HIS CB C 17 29.896 28.767 1.129 1
1 207 . 13 1 1 A 19 19 HIS N N 17 120.269 121.608 -1.339 1
1 208 . 13 1 1 A 20 20 VAL H H 18 7.145 8.565 -1.420 1
1 209 . 13 1 1 A 20 20 VAL HA H 18 4.132 4.672 -0.540 1
1 217 . 13 1 1 A 20 20 VAL C C 18 174.138 175.161 -1.023 1
1 218 . 13 1 1 A 20 20 VAL CA C 18 61.605 60.820 0.785 1
1 219 . 13 1 1 A 20 20 VAL CB C 18 34.102 34.856 -0.754 1
1 221 . 13 1 1 A 20 20 VAL N N 18 120.100 126.222 -6.122 1
1 222 . 13 1 1 A 21 21 ALA H H 19 8.554 8.335 0.219 1
1 223 . 13 1 1 A 21 21 ALA HA H 19 4.353 4.341 0.012 1
1 227 . 13 1 1 A 21 21 ALA C C 19 177.514 177.600 -0.086 1
1 228 . 13 1 1 A 21 21 ALA CA C 19 50.666 49.880 0.786 1
1 229 . 13 1 1 A 21 21 ALA CB C 19 19.648 21.678 -2.030 1
1 230 . 13 1 1 A 21 21 ALA N N 19 131.180 129.529 1.651 1
1 231 . 13 1 1 A 22 22 ARG H H 20 7.813 7.908 -0.095 1
1 232 . 13 1 1 A 22 22 ARG HA H 20 2.621 2.753 -0.132 1
1 239 . 13 1 1 A 22 22 ARG C C 20 178.531 177.436 1.095 1
1 240 . 13 1 1 A 22 22 ARG CA C 20 59.155 58.895 0.260 1
1 241 . 13 1 1 A 22 22 ARG CB C 20 29.167 29.263 -0.096 1
1 244 . 13 1 1 A 22 22 ARG N N 20 124.436 119.635 4.801 1
1 245 . 13 1 1 A 23 23 ALA H H 21 8.191 7.521 0.670 1
1 246 . 13 1 1 A 23 23 ALA HA H 21 4.023 4.016 0.007 1
1 250 . 13 1 1 A 23 23 ALA C C 21 177.743 179.694 -1.951 1
1 251 . 13 1 1 A 23 23 ALA CA C 21 53.809 53.690 0.119 1
1 252 . 13 1 1 A 23 23 ALA CB C 21 18.712 18.193 0.519 1
1 253 . 13 1 1 A 23 23 ALA N N 21 117.354 119.983 -2.629 1
1 254 . 13 1 1 A 24 24 ASN H H 22 7.738 7.660 0.078 1
1 255 . 13 1 1 A 24 24 ASN HA H 22 4.928 4.645 0.283 1
1 260 . 13 1 1 A 24 24 ASN C C 22 174.889 175.427 -0.538 1
1 261 . 13 1 1 A 24 24 ASN CA C 22 52.590 54.002 -1.412 1
1 262 . 13 1 1 A 24 24 ASN CB C 22 40.335 38.780 1.555 1
1 263 . 13 1 1 A 24 24 ASN N N 22 112.797 115.851 -3.054 1
1 265 . 13 1 1 A 25 25 VAL H H 23 7.438 7.182 0.256 1
1 266 . 13 1 1 A 25 25 VAL HA H 23 4.349 4.199 0.150 1
1 274 . 13 1 1 A 25 25 VAL C C 23 174.594 175.831 -1.237 1
1 275 . 13 1 1 A 25 25 VAL CA C 23 62.406 62.549 -0.143 1
1 276 . 13 1 1 A 25 25 VAL CB C 23 33.445 32.076 1.369 1
1 278 . 13 1 1 A 25 25 VAL N N 23 118.653 120.416 -1.763 1
1 279 . 13 1 1 A 26 26 LYS H H 24 9.262 9.482 -0.220 1
1 280 . 13 1 1 A 26 26 LYS HA H 24 4.394 4.256 0.138 1
1 289 . 13 1 1 A 26 26 LYS C C 24 175.247 175.592 -0.345 1
1 290 . 13 1 1 A 26 26 LYS CA C 24 56.483 57.927 -1.444 1
1 291 . 13 1 1 A 26 26 LYS CB C 24 35.022 33.773 1.249 1
1 295 . 13 1 1 A 26 26 LYS N N 24 125.308 129.889 -4.581 1
1 296 . 13 1 1 A 27 27 HIS H H 25 7.749 7.536 0.213 1
1 297 . 13 1 1 A 27 27 HIS HA H 25 4.625 4.862 -0.237 1
1 302 . 13 1 1 A 27 27 HIS C C 25 173.157 173.090 0.067 1
1 303 . 13 1 1 A 27 27 HIS CA C 25 55.916 54.467 1.449 1
1 304 . 13 1 1 A 27 27 HIS CB C 25 32.808 33.268 -0.460 1
1 307 . 13 1 1 A 27 27 HIS N N 25 115.509 117.600 -2.091 1
1 308 . 13 1 1 A 28 28 LEU H H 26 8.117 8.418 -0.301 1
1 309 . 13 1 1 A 28 28 LEU HA H 26 4.990 5.299 -0.309 1
1 319 . 13 1 1 A 28 28 LEU C C 26 175.514 174.818 0.696 1
1 320 . 13 1 1 A 28 28 LEU CA C 26 54.662 53.774 0.888 1
1 321 . 13 1 1 A 28 28 LEU CB C 26 45.594 44.776 0.818 1
1 325 . 13 1 1 A 29 29 LYS H H 27 9.028 9.303 -0.275 1
1 326 . 13 1 1 A 29 29 LYS HA H 27 4.585 5.138 -0.553 1
1 335 . 13 1 1 A 29 29 LYS C C 27 173.758 174.685 -0.927 1
1 336 . 13 1 1 A 29 29 LYS CA C 27 54.945 54.733 0.212 1
1 337 . 13 1 1 A 29 29 LYS CB C 27 36.358 36.242 0.116 1
1 341 . 13 1 1 A 29 29 LYS N N 27 122.904 126.345 -3.441 1
1 342 . 13 1 1 A 30 30 ILE H H 28 8.540 9.024 -0.484 1
1 343 . 13 1 1 A 30 30 ILE HA H 28 4.626 4.696 -0.070 1
1 353 . 13 1 1 A 30 30 ILE C C 28 175.988 174.277 1.711 1
1 354 . 13 1 1 A 30 30 ILE CA C 28 60.122 60.159 -0.037 1
1 355 . 13 1 1 A 30 30 ILE CB C 28 38.795 38.753 0.042 1
1 359 . 13 1 1 A 30 30 ILE N N 28 123.517 127.230 -3.713 1
1 360 . 13 1 1 A 31 31 LEU H H 29 8.961 9.131 -0.170 1
1 361 . 13 1 1 A 31 31 LEU HA H 29 4.564 5.112 -0.548 1
1 371 . 13 1 1 A 31 31 LEU C C 29 176.005 174.981 1.024 1
1 372 . 13 1 1 A 31 31 LEU CA C 29 53.975 53.642 0.333 1
1 373 . 13 1 1 A 31 31 LEU CB C 29 43.485 44.874 -1.389 1
1 376 . 13 1 1 A 31 31 LEU N N 29 128.881 130.245 -1.364 1
1 377 . 13 1 1 A 32 32 ASN H H 30 8.763 8.797 -0.034 1
1 378 . 13 1 1 A 32 32 ASN HA H 30 4.991 5.339 -0.348 1
1 383 . 13 1 1 A 32 32 ASN C C 30 174.462 173.622 0.840 1
1 384 . 13 1 1 A 32 32 ASN CA C 30 52.413 51.884 0.529 1
1 385 . 13 1 1 A 32 32 ASN CB C 30 39.238 41.459 -2.221 1
1 386 . 13 1 1 A 32 32 ASN N N 30 124.019 125.809 -1.790 1
1 388 . 13 1 1 A 33 33 THR H H 31 8.170 8.508 -0.338 1
1 389 . 13 1 1 A 33 33 THR HA H 31 4.628 4.726 -0.098 1
1 394 . 13 1 1 A 33 33 THR CA C 31 59.475 59.066 0.409 1
1 395 . 13 1 1 A 33 33 THR CB C 31 70.435 70.105 0.330 1
1 397 . 13 1 1 A 33 33 THR N N 31 119.276 121.324 -2.048 1
1 398 . 13 1 1 A 34 34 PRO HA H 32 4.223 4.306 -0.083 1
1 405 . 13 1 1 A 34 34 PRO C C 32 176.814 177.699 -0.885 1
1 406 . 13 1 1 A 34 34 PRO CA C 32 64.445 65.506 -1.061 1
1 407 . 13 1 1 A 34 34 PRO CB C 32 32.161 31.784 0.377 1
1 410 . 13 1 1 A 35 35 ASN H H 33 8.574 8.523 0.051 1
1 411 . 13 1 1 A 35 35 ASN HA H 33 4.320 4.736 -0.416 1
1 416 . 13 1 1 A 35 35 ASN C C 33 174.344 175.313 -0.969 1
1 417 . 13 1 1 A 35 35 ASN CA C 33 54.945 53.191 1.754 1
1 418 . 13 1 1 A 35 35 ASN CB C 33 38.122 38.875 -0.753 1
1 419 . 13 1 1 A 35 35 ASN N N 33 113.042 113.657 -0.615 1
1 421 . 13 1 1 A 36 36 CYS H H 34 7.554 8.032 -0.478 1
1 422 . 13 1 1 A 36 36 CYS HA H 34 4.891 4.821 0.070 1
1 425 . 13 1 1 A 36 36 CYS C C 34 173.880 173.551 0.329 1
1 426 . 13 1 1 A 36 36 CYS CA C 34 54.622 56.977 -2.355 1
1 427 . 13 1 1 A 36 36 CYS CB C 34 44.780 44.605 0.175 1
1 428 . 13 1 1 A 36 36 CYS N N 34 116.301 116.721 -0.420 1
1 429 . 13 1 1 A 37 37 ALA H H 35 8.418 7.165 1.253 1
1 430 . 13 1 1 A 37 37 ALA HA H 35 4.237 4.452 -0.215 1
1 434 . 13 1 1 A 37 37 ALA C C 35 176.677 174.794 1.883 1
1 435 . 13 1 1 A 37 37 ALA CA C 35 52.413 51.533 0.880 1
1 436 . 13 1 1 A 37 37 ALA CB C 35 18.992 21.595 -2.603 1
1 437 . 13 1 1 A 37 37 ALA N N 35 125.001 117.840 7.161 1
1 438 . 13 1 1 A 38 38 LEU H H 36 8.060 8.372 -0.312 1
1 439 . 13 1 1 A 38 38 LEU HA H 36 4.203 4.799 -0.596 1
1 449 . 13 1 1 A 38 38 LEU C C 36 176.194 174.649 1.545 1
1 450 . 13 1 1 A 38 38 LEU CA C 36 56.563 54.353 2.210 1
1 451 . 13 1 1 A 38 38 LEU CB C 36 42.488 43.934 -1.446 1
1 455 . 13 1 1 A 38 38 LEU N N 36 121.548 120.185 1.363 1
1 456 . 13 1 1 A 39 39 GLN H H 37 8.434 9.347 -0.913 1
1 457 . 13 1 1 A 39 39 GLN HA H 37 4.623 4.759 -0.136 1
1 464 . 13 1 1 A 39 39 GLN C C 37 173.581 174.758 -1.177 1
1 465 . 13 1 1 A 39 39 GLN CA C 37 54.109 54.361 -0.252 1
1 466 . 13 1 1 A 39 39 GLN CB C 37 32.286 30.598 1.688 1
1 468 . 13 1 1 A 39 39 GLN N N 37 123.271 124.974 -1.703 1
1 470 . 13 1 1 A 40 40 ILE H H 38 9.408 8.185 1.223 1
1 471 . 13 1 1 A 40 40 ILE HA H 38 4.735 4.824 -0.089 1
1 481 . 13 1 1 A 40 40 ILE C C 38 174.547 175.232 -0.685 1
1 482 . 13 1 1 A 40 40 ILE CA C 38 60.122 60.007 0.115 1
1 483 . 13 1 1 A 40 40 ILE CB C 38 38.899 39.321 -0.422 1
1 487 . 13 1 1 A 40 40 ILE N N 38 124.702 126.121 -1.419 1
1 488 . 13 1 1 A 41 41 VAL H H 39 8.826 9.681 -0.855 1
1 489 . 13 1 1 A 41 41 VAL HA H 39 5.041 4.639 0.402 1
1 497 . 13 1 1 A 41 41 VAL C C 39 174.772 175.210 -0.438 1
1 498 . 13 1 1 A 41 41 VAL CA C 39 60.111 61.461 -1.350 1
1 499 . 13 1 1 A 41 41 VAL CB C 39 34.767 33.160 1.607 1
1 501 . 13 1 1 A 41 41 VAL N N 39 124.047 128.728 -4.681 1
1 502 . 13 1 1 A 42 42 ALA H H 40 9.299 9.167 0.132 1
1 503 . 13 1 1 A 42 42 ALA HA H 40 5.276 5.994 -0.718 1
1 507 . 13 1 1 A 42 42 ALA C C 40 175.955 174.995 0.960 1
1 508 . 13 1 1 A 42 42 ALA CA C 40 50.093 50.330 -0.237 1
1 509 . 13 1 1 A 42 42 ALA CB C 40 23.800 22.481 1.319 1
1 510 . 13 1 1 A 42 42 ALA N N 40 126.567 129.402 -2.835 1
1 511 . 13 1 1 A 43 43 ARG H H 41 8.398 9.027 -0.629 1
1 512 . 13 1 1 A 43 43 ARG HA H 41 5.131 4.968 0.163 1
1 519 . 13 1 1 A 43 43 ARG C C 41 176.184 174.956 1.228 1
1 520 . 13 1 1 A 43 43 ARG CA C 41 53.900 54.954 -1.054 1
1 521 . 13 1 1 A 43 43 ARG CB C 41 32.161 32.808 -0.647 1
1 524 . 13 1 1 A 43 43 ARG N N 41 118.991 123.149 -4.158 1
1 525 . 13 1 1 A 44 44 LEU H H 42 8.988 9.611 -0.623 1
1 526 . 13 1 1 A 44 44 LEU HA H 42 4.925 4.818 0.107 1
1 536 . 13 1 1 A 44 44 LEU C C 42 178.369 176.488 1.881 1
1 537 . 13 1 1 A 44 44 LEU CA C 42 54.329 54.222 0.107 1
1 538 . 13 1 1 A 44 44 LEU CB C 42 41.497 42.553 -1.056 1
1 542 . 13 1 1 A 44 44 LEU N N 42 125.637 127.465 -1.828 1
1 543 . 13 1 1 A 45 45 LYS H H 43 8.470 9.573 -1.103 1
1 544 . 13 1 1 A 45 45 LYS HA H 43 3.823 4.084 -0.261 1
1 553 . 13 1 1 A 45 45 LYS CA C 43 59.340 58.999 0.341 1
1 554 . 13 1 1 A 45 45 LYS CB C 43 33.445 32.705 0.740 1
1 558 . 13 1 1 A 45 45 LYS N N 43 120.489 122.647 -2.158 1
1 559 . 13 1 1 A 46 46 ASN HA H 44 4.421 4.557 -0.136 1
1 564 . 13 1 1 A 46 46 ASN C C 44 175.970 176.664 -0.694 1
1 565 . 13 1 1 A 46 46 ASN CA C 44 55.457 55.804 -0.347 1
1 566 . 13 1 1 A 46 46 ASN CB C 44 37.507 38.757 -1.250 1
1 568 . 13 1 1 A 47 47 ASN H H 45 7.483 8.019 -0.536 1
1 569 . 13 1 1 A 47 47 ASN HA H 45 4.706 4.757 -0.051 1
1 574 . 13 1 1 A 47 47 ASN C C 45 175.461 175.114 0.347 1
1 575 . 13 1 1 A 47 47 ASN CA C 45 52.769 53.031 -0.262 1
1 576 . 13 1 1 A 47 47 ASN CB C 45 39.194 39.016 0.178 1
1 577 . 13 1 1 A 47 47 ASN N N 45 115.277 114.597 0.680 1
1 579 . 13 1 1 A 48 48 ASN H H 46 7.995 8.270 -0.275 1
1 580 . 13 1 1 A 48 48 ASN HA H 46 4.661 4.585 0.076 1
1 585 . 13 1 1 A 48 48 ASN C C 46 174.812 174.019 0.793 1
1 586 . 13 1 1 A 48 48 ASN CA C 46 54.298 54.550 -0.252 1
1 587 . 13 1 1 A 48 48 ASN CB C 46 39.103 37.542 1.561 1
1 588 . 13 1 1 A 48 48 ASN N N 46 116.416 117.296 -0.880 1
1 590 . 13 1 1 A 49 49 ARG H H 47 7.940 7.610 0.330 1
1 591 . 13 1 1 A 49 49 ARG HA H 47 4.205 4.928 -0.723 1
1 598 . 13 1 1 A 49 49 ARG C C 47 175.719 174.364 1.355 1
1 599 . 13 1 1 A 49 49 ARG CA C 47 57.084 54.255 2.829 1
1 600 . 13 1 1 A 49 49 ARG CB C 47 31.792 33.745 -1.953 1
1 603 . 13 1 1 A 49 49 ARG N N 47 120.017 114.642 5.375 1
1 604 . 13 1 1 A 50 50 GLN H H 48 8.641 8.649 -0.008 1
1 605 . 13 1 1 A 50 50 GLN HA H 48 5.240 4.971 0.269 1
1 612 . 13 1 1 A 50 50 GLN C C 48 175.697 175.685 0.012 1
1 613 . 13 1 1 A 50 50 GLN CA C 48 55.454 55.238 0.216 1
1 614 . 13 1 1 A 50 50 GLN CB C 48 30.959 30.105 0.854 1
1 616 . 13 1 1 A 50 50 GLN N N 48 123.029 122.454 0.575 1
1 618 . 13 1 1 A 51 51 VAL H H 49 9.018 9.505 -0.487 1
1 619 . 13 1 1 A 51 51 VAL HA H 49 4.745 4.903 -0.158 1
1 627 . 13 1 1 A 51 51 VAL C C 49 174.561 174.421 0.140 1
1 628 . 13 1 1 A 51 51 VAL CA C 49 59.266 58.910 0.356 1
1 629 . 13 1 1 A 51 51 VAL CB C 49 35.845 35.916 -0.071 1
1 632 . 13 1 1 A 51 51 VAL N N 49 119.358 118.086 1.272 1
1 633 . 13 1 1 A 52 52 CYS H H 50 8.895 8.889 0.006 1
1 634 . 13 1 1 A 52 52 CYS HA H 50 5.636 5.373 0.263 1
1 637 . 13 1 1 A 52 52 CYS C C 50 174.469 172.713 1.756 1
1 638 . 13 1 1 A 52 52 CYS CA C 50 56.377 54.476 1.901 1
1 639 . 13 1 1 A 52 52 CYS CB C 50 44.680 44.322 0.358 1
1 640 . 13 1 1 A 52 52 CYS N N 50 120.834 119.205 1.629 1
1 641 . 13 1 1 A 53 53 ILE H H 51 8.615 9.249 -0.634 1
1 642 . 13 1 1 A 53 53 ILE HA H 51 4.512 4.505 0.007 1
1 652 . 13 1 1 A 53 53 ILE C C 51 174.137 175.303 -1.166 1
1 653 . 13 1 1 A 53 53 ILE CA C 51 59.397 60.117 -0.720 1
1 654 . 13 1 1 A 53 53 ILE CB C 51 39.603 39.923 -0.320 1
1 658 . 13 1 1 A 53 53 ILE N N 51 122.392 124.337 -1.945 1
1 659 . 13 1 1 A 54 54 ASP H H 52 7.766 8.634 -0.868 1
1 660 . 13 1 1 A 54 54 ASP HA H 52 3.572 4.205 -0.633 1
1 663 . 13 1 1 A 54 54 ASP CA C 52 51.578 52.278 -0.700 1
1 664 . 13 1 1 A 54 54 ASP CB C 52 42.381 40.681 1.700 1
1 665 . 13 1 1 A 54 54 ASP N N 52 126.398 126.199 0.199 1
1 666 . 13 1 1 A 55 55 PRO HA H 53 4.011 4.356 -0.345 1
1 673 . 13 1 1 A 55 55 PRO C C 53 176.274 176.625 -0.351 1
1 674 . 13 1 1 A 55 55 PRO CA C 53 63.546 64.046 -0.500 1
1 675 . 13 1 1 A 55 55 PRO CB C 53 32.270 31.492 0.778 1
1 678 . 13 1 1 A 56 56 LYS H H 54 8.053 8.400 -0.347 1
1 679 . 13 1 1 A 56 56 LYS HA H 54 3.982 4.307 -0.325 1
1 688 . 13 1 1 A 56 56 LYS C C 54 177.867 176.494 1.373 1
1 689 . 13 1 1 A 56 56 LYS CA C 54 56.189 55.972 0.217 1
1 690 . 13 1 1 A 56 56 LYS CB C 54 31.649 32.067 -0.418 1
1 694 . 13 1 1 A 56 56 LYS N N 54 115.161 115.372 -0.211 1
1 695 . 13 1 1 A 57 57 LEU H H 55 7.145 6.853 0.292 1
1 696 . 13 1 1 A 57 57 LEU HA H 55 4.027 4.150 -0.123 1
1 706 . 13 1 1 A 57 57 LEU C C 55 179.221 177.616 1.605 1
1 707 . 13 1 1 A 57 57 LEU CA C 55 14.371 55.252 -40.881 1
1 708 . 13 1 1 A 57 57 LEU CB C 55 41.739 41.430 0.309 1
1 712 . 13 1 1 A 57 57 LEU N N 55 120.921 122.484 -1.563 1
1 713 . 13 1 1 A 58 58 LYS H H 56 8.798 8.981 -0.183 1
1 714 . 13 1 1 A 58 58 LYS HA H 56 3.937 3.887 0.050 1
1 723 . 13 1 1 A 58 58 LYS C C 56 179.161 178.268 0.893 1
1 724 . 13 1 1 A 58 58 LYS CA C 56 60.116 59.745 0.371 1
1 725 . 13 1 1 A 58 58 LYS CB C 56 32.100 32.212 -0.112 1
1 729 . 13 1 1 A 58 58 LYS N N 56 125.449 125.007 0.442 1
1 730 . 13 1 1 A 59 59 TRP H H 57 7.821 8.285 -0.464 1
1 731 . 13 1 1 A 59 59 TRP HA H 57 4.636 4.599 0.037 1
1 740 . 13 1 1 A 59 59 TRP C C 57 178.642 178.864 -0.222 1
1 741 . 13 1 1 A 59 59 TRP CA C 57 58.388 59.225 -0.837 1
1 742 . 13 1 1 A 59 59 TRP CB C 57 27.954 27.959 -0.005 1
1 748 . 13 1 1 A 59 59 TRP N N 57 113.650 119.390 -5.740 1
1 750 . 13 1 1 A 60 60 ILE H H 58 6.340 7.423 -1.083 1
1 751 . 13 1 1 A 60 60 ILE HA H 58 3.620 3.262 0.358 1
1 761 . 13 1 1 A 60 60 ILE C C 58 177.104 177.526 -0.422 1
1 762 . 13 1 1 A 60 60 ILE CA C 58 61.605 64.237 -2.632 1
1 763 . 13 1 1 A 60 60 ILE CB C 58 36.043 36.105 -0.062 1
1 767 . 13 1 1 A 60 60 ILE N N 58 123.265 121.783 1.482 1
1 768 . 13 1 1 A 61 61 GLN H H 59 7.710 7.924 -0.214 1
1 769 . 13 1 1 A 61 61 GLN HA H 59 3.824 3.931 -0.107 1
1 776 . 13 1 1 A 61 61 GLN C C 59 178.933 179.072 -0.139 1
1 777 . 13 1 1 A 61 61 GLN CA C 59 59.663 59.039 0.624 1
1 778 . 13 1 1 A 61 61 GLN CB C 59 27.972 28.247 -0.275 1
1 780 . 13 1 1 A 61 61 GLN N N 59 120.515 118.949 1.566 1
1 782 . 13 1 1 A 62 62 GLU H H 60 8.042 7.471 0.571 1
1 783 . 13 1 1 A 62 62 GLU HA H 60 4.093 4.046 0.047 1
1 788 . 13 1 1 A 62 62 GLU C C 60 178.539 178.986 -0.447 1
1 789 . 13 1 1 A 62 62 GLU CA C 60 59.152 59.238 -0.086 1
1 790 . 13 1 1 A 62 62 GLU CB C 60 29.896 29.398 0.498 1
1 792 . 13 1 1 A 62 62 GLU N N 60 117.976 121.095 -3.119 1
1 793 . 13 1 1 A 63 63 TYR H H 61 7.882 8.345 -0.463 1
1 794 . 13 1 1 A 63 63 TYR HA H 61 4.214 4.166 0.048 1
1 801 . 13 1 1 A 63 63 TYR C C 61 178.157 177.216 0.941 1
1 802 . 13 1 1 A 63 63 TYR CA C 61 61.281 61.481 -0.200 1
1 803 . 13 1 1 A 63 63 TYR CB C 61 38.956 38.550 0.406 1
1 806 . 13 1 1 A 63 63 TYR N N 61 120.743 122.277 -1.534 1
1 807 . 13 1 1 A 64 64 LEU H H 62 8.438 8.678 -0.240 1
1 808 . 13 1 1 A 64 64 LEU HA H 62 3.886 3.606 0.280 1
1 818 . 13 1 1 A 64 64 LEU C C 62 178.678 178.494 0.184 1
1 819 . 13 1 1 A 64 64 LEU CA C 62 57.619 57.767 -0.148 1
1 820 . 13 1 1 A 64 64 LEU CB C 62 41.868 41.260 0.608 1
1 824 . 13 1 1 A 64 64 LEU N N 62 119.052 119.633 -0.581 1
1 825 . 13 1 1 A 65 65 GLU H H 63 7.884 7.902 -0.018 1
1 826 . 13 1 1 A 65 65 GLU HA H 63 3.998 4.203 -0.205 1
1 831 . 13 1 1 A 65 65 GLU C C 63 178.447 177.129 1.318 1
1 832 . 13 1 1 A 65 65 GLU CA C 63 59.143 58.232 0.911 1
1 833 . 13 1 1 A 65 65 GLU CB C 63 29.708 29.111 0.597 1
1 835 . 13 1 1 A 65 65 GLU N N 63 118.310 117.141 1.169 1
1 836 . 13 1 1 A 66 66 LYS H H 64 7.576 7.628 -0.052 1
1 837 . 13 1 1 A 66 66 LYS HA H 64 4.208 4.293 -0.085 1
1 846 . 13 1 1 A 66 66 LYS C C 64 177.941 178.421 -0.480 1
1 847 . 13 1 1 A 66 66 LYS CA C 64 57.543 57.985 -0.442 1
1 848 . 13 1 1 A 66 66 LYS CB C 64 32.620 33.604 -0.984 1
1 852 . 13 1 1 A 66 66 LYS N N 64 117.398 118.443 -1.045 1
1 853 . 13 1 1 A 67 67 ALA H H 65 7.934 7.925 0.009 1
1 854 . 13 1 1 A 67 67 ALA HA H 65 4.106 4.015 0.091 1
1 858 . 13 1 1 A 67 67 ALA C C 65 178.624 179.965 -1.341 1
1 859 . 13 1 1 A 67 67 ALA CA C 65 53.790 54.587 -0.797 1
1 860 . 13 1 1 A 67 67 ALA CB C 65 19.106 18.307 0.799 1
1 861 . 13 1 1 A 67 67 ALA N N 65 121.561 121.686 -0.125 1
1 862 . 13 1 1 A 68 68 LEU H H 66 7.835 7.873 -0.038 1
1 863 . 13 1 1 A 68 68 LEU HA H 66 4.268 4.062 0.206 1
1 873 . 13 1 1 A 68 68 LEU CA C 66 55.593 56.989 -1.396 1
1 874 . 13 1 1 A 68 68 LEU CB C 66 42.191 41.804 0.387 1
1 877 . 13 1 1 A 68 68 LEU N N 66 117.270 118.926 -1.656 1
1 878 . 13 1 1 A 69 69 ASN H H 67 7.914 7.685 0.229 1
1 879 . 13 1 1 A 69 69 ASN HA H 67 4.731 4.424 0.307 1
1 884 . 13 1 1 A 69 69 ASN C C 67 174.039 176.678 -2.639 1
1 885 . 13 1 1 A 69 69 ASN CA C 67 53.328 56.395 -3.067 1
1 886 . 13 1 1 A 69 69 ASN CB C 67 39.091 38.912 0.179 1
1 887 . 13 1 1 A 69 69 ASN N N 67 118.309 118.037 0.272 1
1 18 . 14 1 1 A 4 4 PRO HA H 2 4.447 4.509 -0.062 1
1 25 . 14 1 1 A 4 4 PRO C C 2 176.996 176.458 0.538 1
1 26 . 14 1 1 A 4 4 PRO CA C 2 63.494 62.844 0.650 1
1 27 . 14 1 1 A 4 4 PRO CB C 2 32.161 32.496 -0.335 1
1 30 . 14 1 1 A 5 5 VAL H H 3 8.292 8.373 -0.081 1
1 31 . 14 1 1 A 5 5 VAL HA H 3 4.074 4.250 -0.176 1
1 39 . 14 1 1 A 5 5 VAL C C 3 176.376 176.563 -0.187 1
1 40 . 14 1 1 A 5 5 VAL CA C 3 62.495 62.147 0.348 1
1 41 . 14 1 1 A 5 5 VAL CB C 3 32.808 31.901 0.907 1
1 43 . 14 1 1 A 5 5 VAL N N 3 121.008 123.027 -2.019 1
1 44 . 14 1 1 A 6 6 SER H H 4 8.313 8.848 -0.535 1
1 45 . 14 1 1 A 6 6 SER HA H 4 4.419 4.378 0.041 1
1 48 . 14 1 1 A 6 6 SER C C 4 174.577 174.030 0.547 1
1 49 . 14 1 1 A 6 6 SER CA C 4 58.148 59.670 -1.522 1
1 50 . 14 1 1 A 6 6 SER CB C 4 63.870 63.679 0.191 1
1 51 . 14 1 1 A 6 6 SER N N 4 119.573 123.421 -3.848 1
1 52 . 14 1 1 A 7 7 LEU H H 5 8.326 7.478 0.848 1
1 53 . 14 1 1 A 7 7 LEU HA H 5 4.342 4.410 -0.068 1
1 63 . 14 1 1 A 7 7 LEU C C 5 177.341 175.809 1.532 1
1 64 . 14 1 1 A 7 7 LEU CA C 5 55.388 54.315 1.073 1
1 65 . 14 1 1 A 7 7 LEU CB C 5 42.650 42.626 0.024 1
1 68 . 14 1 1 A 7 7 LEU N N 5 125.039 122.138 2.901 1
1 69 . 14 1 1 A 8 8 SER H H 6 8.157 8.829 -0.672 1
1 70 . 14 1 1 A 8 8 SER HA H 6 4.360 4.655 -0.295 1
1 73 . 14 1 1 A 8 8 SER C C 6 174.189 174.237 -0.048 1
1 74 . 14 1 1 A 8 8 SER CA C 6 58.433 60.354 -1.921 1
1 75 . 14 1 1 A 8 8 SER CB C 6 63.870 64.175 -0.305 1
1 76 . 14 1 1 A 8 8 SER N N 6 116.154 122.670 -6.516 1
1 77 . 14 1 1 A 9 9 TYR H H 7 8.017 7.633 0.384 1
1 78 . 14 1 1 A 9 9 TYR HA H 7 4.512 4.729 -0.217 1
1 85 . 14 1 1 A 9 9 TYR C C 7 175.520 173.039 2.481 1
1 86 . 14 1 1 A 9 9 TYR CA C 7 58.008 58.235 -0.227 1
1 87 . 14 1 1 A 9 9 TYR CB C 7 38.956 41.218 -2.262 1
1 90 . 14 1 1 A 9 9 TYR N N 7 122.213 117.256 4.957 1
1 91 . 14 1 1 A 10 10 ARG H H 8 8.152 8.604 -0.452 1
1 92 . 14 1 1 A 10 10 ARG HA H 8 4.260 4.248 0.012 1
1 99 . 14 1 1 A 10 10 ARG C C 8 175.918 175.330 0.588 1
1 100 . 14 1 1 A 10 10 ARG CA C 8 56.104 54.279 1.825 1
1 101 . 14 1 1 A 10 10 ARG CB C 8 30.875 31.103 -0.228 1
1 104 . 14 1 1 A 10 10 ARG N N 8 122.182 127.258 -5.076 1
1 105 . 14 1 1 A 11 11 CYS H H 9 8.132 8.136 -0.004 1
1 106 . 14 1 1 A 11 11 CYS HA H 9 4.935 4.455 0.480 1
1 109 . 14 1 1 A 11 11 CYS C C 9 173.615 174.243 -0.628 1
1 110 . 14 1 1 A 11 11 CYS CA C 9 53.127 57.647 -4.520 1
1 111 . 14 1 1 A 11 11 CYS CB C 9 40.201 41.300 -1.099 1
1 112 . 14 1 1 A 11 11 CYS N N 9 121.280 120.508 0.772 1
1 113 . 14 1 1 A 12 12 PRO HA H 10 4.290 4.475 -0.185 1
1 120 . 14 1 1 A 12 12 PRO C C 10 177.703 176.739 0.964 1
1 121 . 14 1 1 A 12 12 PRO CA C 10 64.835 65.031 -0.196 1
1 122 . 14 1 1 A 12 12 PRO CB C 10 32.484 31.599 0.885 1
1 125 . 14 1 1 A 13 13 CYS H H 11 8.300 8.296 0.004 1
1 126 . 14 1 1 A 13 13 CYS HA H 11 4.891 4.779 0.112 1
1 129 . 14 1 1 A 13 13 CYS C C 11 174.202 173.309 0.893 1
1 130 . 14 1 1 A 13 13 CYS CA C 11 53.480 54.694 -1.214 1
1 131 . 14 1 1 A 13 13 CYS CB C 11 39.603 43.613 -4.010 1
1 132 . 14 1 1 A 13 13 CYS N N 11 114.161 116.994 -2.833 1
1 133 . 14 1 1 A 14 14 ARG HA H 12 3.963 3.941 0.022 1
1 140 . 14 1 1 A 14 14 ARG C C 12 175.202 175.866 -0.664 1
1 141 . 14 1 1 A 14 14 ARG CA C 12 57.293 57.047 0.246 1
1 142 . 14 1 1 A 14 14 ARG CB C 12 31.099 30.363 0.736 1
1 145 . 14 1 1 A 15 15 PHE H H 13 7.543 7.404 0.139 1
1 146 . 14 1 1 A 15 15 PHE HA H 13 4.496 5.064 -0.568 1
1 154 . 14 1 1 A 15 15 PHE C C 13 174.226 174.482 -0.256 1
1 155 . 14 1 1 A 15 15 PHE CA C 13 55.971 56.299 -0.328 1
1 156 . 14 1 1 A 15 15 PHE CB C 13 41.032 42.979 -1.947 1
1 160 . 14 1 1 A 15 15 PHE N N 13 116.175 115.032 1.143 1
1 161 . 14 1 1 A 16 16 PHE H H 14 8.305 9.016 -0.711 1
1 162 . 14 1 1 A 16 16 PHE HA H 14 4.812 5.153 -0.341 1
1 170 . 14 1 1 A 16 16 PHE C C 14 175.247 176.183 -0.936 1
1 171 . 14 1 1 A 16 16 PHE CA C 14 55.559 56.711 -1.152 1
1 172 . 14 1 1 A 16 16 PHE CB C 14 41.220 42.040 -0.820 1
1 176 . 14 1 1 A 16 16 PHE N N 14 119.656 121.043 -1.387 1
1 177 . 14 1 1 A 17 17 GLU H H 15 8.879 9.512 -0.633 1
1 178 . 14 1 1 A 17 17 GLU HA H 15 4.536 4.021 0.515 1
1 183 . 14 1 1 A 17 17 GLU C C 15 176.747 176.654 0.093 1
1 184 . 14 1 1 A 17 17 GLU CA C 15 56.012 59.453 -3.441 1
1 185 . 14 1 1 A 17 17 GLU CB C 15 30.876 29.485 1.391 1
1 187 . 14 1 1 A 17 17 GLU N N 15 122.563 124.439 -1.876 1
1 188 . 14 1 1 A 18 18 SER H H 16 8.810 8.327 0.483 1
1 189 . 14 1 1 A 18 18 SER HA H 16 4.673 4.177 0.496 1
1 192 . 14 1 1 A 18 18 SER C C 16 174.278 174.198 0.080 1
1 193 . 14 1 1 A 18 18 SER CA C 16 59.799 59.603 0.196 1
1 194 . 14 1 1 A 18 18 SER CB C 16 63.999 63.059 0.940 1
1 195 . 14 1 1 A 18 18 SER N N 16 119.679 114.644 5.035 1
1 196 . 14 1 1 A 19 19 HIS H H 17 8.712 7.807 0.905 1
1 197 . 14 1 1 A 19 19 HIS HA H 17 4.777 4.844 -0.067 1
1 202 . 14 1 1 A 19 19 HIS C C 17 174.580 175.155 -0.575 1
1 203 . 14 1 1 A 19 19 HIS CA C 17 56.240 55.008 1.232 1
1 204 . 14 1 1 A 19 19 HIS CB C 17 29.896 30.443 -0.547 1
1 207 . 14 1 1 A 19 19 HIS N N 17 120.269 119.910 0.359 1
1 208 . 14 1 1 A 20 20 VAL H H 18 7.145 7.745 -0.600 1
1 209 . 14 1 1 A 20 20 VAL HA H 18 4.132 4.074 0.058 1
1 217 . 14 1 1 A 20 20 VAL C C 18 174.138 175.341 -1.203 1
1 218 . 14 1 1 A 20 20 VAL CA C 18 61.605 61.683 -0.078 1
1 219 . 14 1 1 A 20 20 VAL CB C 18 34.102 33.161 0.941 1
1 221 . 14 1 1 A 20 20 VAL N N 18 120.100 119.895 0.205 1
1 222 . 14 1 1 A 21 21 ALA H H 19 8.554 8.359 0.195 1
1 223 . 14 1 1 A 21 21 ALA HA H 19 4.353 4.221 0.132 1
1 227 . 14 1 1 A 21 21 ALA C C 19 177.514 177.642 -0.128 1
1 228 . 14 1 1 A 21 21 ALA CA C 19 50.666 50.461 0.205 1
1 229 . 14 1 1 A 21 21 ALA CB C 19 19.648 20.493 -0.845 1
1 230 . 14 1 1 A 21 21 ALA N N 19 131.180 128.281 2.899 1
1 231 . 14 1 1 A 22 22 ARG H H 20 7.813 8.082 -0.269 1
1 232 . 14 1 1 A 22 22 ARG HA H 20 2.621 2.779 -0.158 1
1 239 . 14 1 1 A 22 22 ARG C C 20 178.531 177.453 1.078 1
1 240 . 14 1 1 A 22 22 ARG CA C 20 59.155 58.744 0.411 1
1 241 . 14 1 1 A 22 22 ARG CB C 20 29.167 29.283 -0.116 1
1 244 . 14 1 1 A 22 22 ARG N N 20 124.436 120.589 3.847 1
1 245 . 14 1 1 A 23 23 ALA H H 21 8.191 7.459 0.732 1
1 246 . 14 1 1 A 23 23 ALA HA H 21 4.023 4.065 -0.042 1
1 250 . 14 1 1 A 23 23 ALA C C 21 177.743 178.074 -0.331 1
1 251 . 14 1 1 A 23 23 ALA CA C 21 53.809 53.445 0.364 1
1 252 . 14 1 1 A 23 23 ALA CB C 21 18.712 18.392 0.320 1
1 253 . 14 1 1 A 23 23 ALA N N 21 117.354 120.107 -2.753 1
1 254 . 14 1 1 A 24 24 ASN H H 22 7.738 7.825 -0.087 1
1 255 . 14 1 1 A 24 24 ASN HA H 22 4.928 4.759 0.169 1
1 260 . 14 1 1 A 24 24 ASN C C 22 174.889 175.179 -0.290 1
1 261 . 14 1 1 A 24 24 ASN CA C 22 52.590 52.766 -0.176 1
1 262 . 14 1 1 A 24 24 ASN CB C 22 40.335 38.780 1.555 1
1 263 . 14 1 1 A 24 24 ASN N N 22 112.797 115.909 -3.112 1
1 265 . 14 1 1 A 25 25 VAL H H 23 7.438 7.265 0.173 1
1 266 . 14 1 1 A 25 25 VAL HA H 23 4.349 4.602 -0.253 1
1 274 . 14 1 1 A 25 25 VAL C C 23 174.594 176.036 -1.442 1
1 275 . 14 1 1 A 25 25 VAL CA C 23 62.406 62.230 0.176 1
1 276 . 14 1 1 A 25 25 VAL CB C 23 33.445 32.273 1.172 1
1 278 . 14 1 1 A 25 25 VAL N N 23 118.653 120.128 -1.475 1
1 279 . 14 1 1 A 26 26 LYS H H 24 9.262 9.285 -0.023 1
1 280 . 14 1 1 A 26 26 LYS HA H 24 4.394 4.361 0.033 1
1 289 . 14 1 1 A 26 26 LYS C C 24 175.247 175.882 -0.635 1
1 290 . 14 1 1 A 26 26 LYS CA C 24 56.483 58.224 -1.741 1
1 291 . 14 1 1 A 26 26 LYS CB C 24 35.022 32.658 2.364 1
1 295 . 14 1 1 A 26 26 LYS N N 24 125.308 123.448 1.860 1
1 296 . 14 1 1 A 27 27 HIS H H 25 7.749 8.097 -0.348 1
1 297 . 14 1 1 A 27 27 HIS HA H 25 4.625 5.048 -0.423 1
1 302 . 14 1 1 A 27 27 HIS C C 25 173.157 173.742 -0.585 1
1 303 . 14 1 1 A 27 27 HIS CA C 25 55.916 54.290 1.626 1
1 304 . 14 1 1 A 27 27 HIS CB C 25 32.808 32.698 0.110 1
1 307 . 14 1 1 A 27 27 HIS N N 25 115.509 118.888 -3.379 1
1 308 . 14 1 1 A 28 28 LEU H H 26 8.117 8.456 -0.339 1
1 309 . 14 1 1 A 28 28 LEU HA H 26 4.990 4.977 0.013 1
1 319 . 14 1 1 A 28 28 LEU C C 26 175.514 173.872 1.642 1
1 320 . 14 1 1 A 28 28 LEU CA C 26 54.662 53.984 0.678 1
1 321 . 14 1 1 A 28 28 LEU CB C 26 45.594 45.150 0.444 1
1 325 . 14 1 1 A 29 29 LYS H H 27 9.028 9.826 -0.798 1
1 326 . 14 1 1 A 29 29 LYS HA H 27 4.585 4.971 -0.386 1
1 335 . 14 1 1 A 29 29 LYS C C 27 173.758 174.893 -1.135 1
1 336 . 14 1 1 A 29 29 LYS CA C 27 54.945 54.763 0.182 1
1 337 . 14 1 1 A 29 29 LYS CB C 27 36.358 34.691 1.667 1
1 341 . 14 1 1 A 29 29 LYS N N 27 122.904 128.239 -5.335 1
1 342 . 14 1 1 A 30 30 ILE H H 28 8.540 9.098 -0.558 1
1 343 . 14 1 1 A 30 30 ILE HA H 28 4.626 4.781 -0.155 1
1 353 . 14 1 1 A 30 30 ILE C C 28 175.988 175.185 0.803 1
1 354 . 14 1 1 A 30 30 ILE CA C 28 60.122 60.495 -0.373 1
1 355 . 14 1 1 A 30 30 ILE CB C 28 38.795 39.306 -0.511 1
1 359 . 14 1 1 A 30 30 ILE N N 28 123.517 128.449 -4.932 1
1 360 . 14 1 1 A 31 31 LEU H H 29 8.961 9.335 -0.374 1
1 361 . 14 1 1 A 31 31 LEU HA H 29 4.564 5.197 -0.633 1
1 371 . 14 1 1 A 31 31 LEU C C 29 176.005 174.705 1.300 1
1 372 . 14 1 1 A 31 31 LEU CA C 29 53.975 52.861 1.114 1
1 373 . 14 1 1 A 31 31 LEU CB C 29 43.485 45.009 -1.524 1
1 376 . 14 1 1 A 31 31 LEU N N 29 128.881 124.187 4.694 1
1 377 . 14 1 1 A 32 32 ASN H H 30 8.763 8.849 -0.086 1
1 378 . 14 1 1 A 32 32 ASN HA H 30 4.991 5.315 -0.324 1
1 383 . 14 1 1 A 32 32 ASN C C 30 174.462 174.152 0.310 1
1 384 . 14 1 1 A 32 32 ASN CA C 30 52.413 51.600 0.813 1
1 385 . 14 1 1 A 32 32 ASN CB C 30 39.238 41.098 -1.860 1
1 386 . 14 1 1 A 32 32 ASN N N 30 124.019 120.577 3.442 1
1 388 . 14 1 1 A 33 33 THR H H 31 8.170 8.925 -0.755 1
1 389 . 14 1 1 A 33 33 THR HA H 31 4.628 4.774 -0.146 1
1 394 . 14 1 1 A 33 33 THR CA C 31 59.475 59.334 0.141 1
1 395 . 14 1 1 A 33 33 THR CB C 31 70.435 69.607 0.828 1
1 397 . 14 1 1 A 33 33 THR N N 31 119.276 122.101 -2.825 1
1 398 . 14 1 1 A 34 34 PRO HA H 32 4.223 4.305 -0.082 1
1 405 . 14 1 1 A 34 34 PRO C C 32 176.814 177.831 -1.017 1
1 406 . 14 1 1 A 34 34 PRO CA C 32 64.445 65.679 -1.234 1
1 407 . 14 1 1 A 34 34 PRO CB C 32 32.161 31.928 0.233 1
1 410 . 14 1 1 A 35 35 ASN H H 33 8.574 8.619 -0.045 1
1 411 . 14 1 1 A 35 35 ASN HA H 33 4.320 4.740 -0.420 1
1 416 . 14 1 1 A 35 35 ASN C C 33 174.344 175.284 -0.940 1
1 417 . 14 1 1 A 35 35 ASN CA C 33 54.945 53.568 1.377 1
1 418 . 14 1 1 A 35 35 ASN CB C 33 38.122 38.726 -0.604 1
1 419 . 14 1 1 A 35 35 ASN N N 33 113.042 113.312 -0.270 1
1 421 . 14 1 1 A 36 36 CYS H H 34 7.554 8.071 -0.517 1
1 422 . 14 1 1 A 36 36 CYS HA H 34 4.891 4.861 0.030 1
1 425 . 14 1 1 A 36 36 CYS C C 34 173.880 173.559 0.321 1
1 426 . 14 1 1 A 36 36 CYS CA C 34 54.622 56.760 -2.138 1
1 427 . 14 1 1 A 36 36 CYS CB C 34 44.780 44.075 0.705 1
1 428 . 14 1 1 A 36 36 CYS N N 34 116.301 117.076 -0.775 1
1 429 . 14 1 1 A 37 37 ALA H H 35 8.418 7.570 0.848 1
1 430 . 14 1 1 A 37 37 ALA HA H 35 4.237 4.380 -0.143 1
1 434 . 14 1 1 A 37 37 ALA C C 35 176.677 175.566 1.111 1
1 435 . 14 1 1 A 37 37 ALA CA C 35 52.413 51.295 1.118 1
1 436 . 14 1 1 A 37 37 ALA CB C 35 18.992 20.286 -1.294 1
1 437 . 14 1 1 A 37 37 ALA N N 35 125.001 117.753 7.248 1
1 438 . 14 1 1 A 38 38 LEU H H 36 8.060 8.603 -0.543 1
1 439 . 14 1 1 A 38 38 LEU HA H 36 4.203 4.437 -0.234 1
1 449 . 14 1 1 A 38 38 LEU C C 36 176.194 176.326 -0.132 1
1 450 . 14 1 1 A 38 38 LEU CA C 36 56.563 55.225 1.338 1
1 451 . 14 1 1 A 38 38 LEU CB C 36 42.488 42.423 0.065 1
1 455 . 14 1 1 A 38 38 LEU N N 36 121.548 119.514 2.034 1
1 456 . 14 1 1 A 39 39 GLN H H 37 8.434 9.272 -0.838 1
1 457 . 14 1 1 A 39 39 GLN HA H 37 4.623 5.086 -0.463 1
1 464 . 14 1 1 A 39 39 GLN C C 37 173.581 174.908 -1.327 1
1 465 . 14 1 1 A 39 39 GLN CA C 37 54.109 54.443 -0.334 1
1 466 . 14 1 1 A 39 39 GLN CB C 37 32.286 30.852 1.434 1
1 468 . 14 1 1 A 39 39 GLN N N 37 123.271 121.588 1.683 1
1 470 . 14 1 1 A 40 40 ILE H H 38 9.408 9.095 0.313 1
1 471 . 14 1 1 A 40 40 ILE HA H 38 4.735 5.020 -0.285 1
1 481 . 14 1 1 A 40 40 ILE C C 38 174.547 174.628 -0.081 1
1 482 . 14 1 1 A 40 40 ILE CA C 38 60.122 60.007 0.115 1
1 483 . 14 1 1 A 40 40 ILE CB C 38 38.899 40.275 -1.376 1
1 487 . 14 1 1 A 40 40 ILE N N 38 124.702 124.825 -0.123 1
1 488 . 14 1 1 A 41 41 VAL H H 39 8.826 9.494 -0.668 1
1 489 . 14 1 1 A 41 41 VAL HA H 39 5.041 4.963 0.078 1
1 497 . 14 1 1 A 41 41 VAL C C 39 174.772 174.949 -0.177 1
1 498 . 14 1 1 A 41 41 VAL CA C 39 60.111 61.343 -1.232 1
1 499 . 14 1 1 A 41 41 VAL CB C 39 34.767 33.499 1.268 1
1 501 . 14 1 1 A 41 41 VAL N N 39 124.047 129.051 -5.004 1
1 502 . 14 1 1 A 42 42 ALA H H 40 9.299 9.513 -0.214 1
1 503 . 14 1 1 A 42 42 ALA HA H 40 5.276 5.926 -0.650 1
1 507 . 14 1 1 A 42 42 ALA C C 40 175.955 175.447 0.508 1
1 508 . 14 1 1 A 42 42 ALA CA C 40 50.093 50.447 -0.354 1
1 509 . 14 1 1 A 42 42 ALA CB C 40 23.800 24.096 -0.296 1
1 510 . 14 1 1 A 42 42 ALA N N 40 126.567 129.126 -2.559 1
1 511 . 14 1 1 A 43 43 ARG H H 41 8.398 8.805 -0.407 1
1 512 . 14 1 1 A 43 43 ARG HA H 41 5.131 4.942 0.189 1
1 519 . 14 1 1 A 43 43 ARG C C 41 176.184 175.375 0.809 1
1 520 . 14 1 1 A 43 43 ARG CA C 41 53.900 54.951 -1.051 1
1 521 . 14 1 1 A 43 43 ARG CB C 41 32.161 33.584 -1.423 1
1 524 . 14 1 1 A 43 43 ARG N N 41 118.991 119.256 -0.265 1
1 525 . 14 1 1 A 44 44 LEU H H 42 8.988 9.453 -0.465 1
1 526 . 14 1 1 A 44 44 LEU HA H 42 4.925 4.812 0.113 1
1 536 . 14 1 1 A 44 44 LEU C C 42 178.369 176.430 1.939 1
1 537 . 14 1 1 A 44 44 LEU CA C 42 54.329 54.428 -0.099 1
1 538 . 14 1 1 A 44 44 LEU CB C 42 41.497 42.392 -0.895 1
1 542 . 14 1 1 A 44 44 LEU N N 42 125.637 125.259 0.378 1
1 543 . 14 1 1 A 45 45 LYS H H 43 8.470 9.358 -0.888 1
1 544 . 14 1 1 A 45 45 LYS HA H 43 3.823 4.292 -0.469 1
1 553 . 14 1 1 A 45 45 LYS CA C 43 59.340 58.371 0.969 1
1 554 . 14 1 1 A 45 45 LYS CB C 43 33.445 32.983 0.462 1
1 558 . 14 1 1 A 45 45 LYS N N 43 120.489 122.796 -2.307 1
1 559 . 14 1 1 A 46 46 ASN HA H 44 4.421 4.576 -0.155 1
1 564 . 14 1 1 A 46 46 ASN C C 44 175.970 177.274 -1.304 1
1 565 . 14 1 1 A 46 46 ASN CA C 44 55.457 55.465 -0.008 1
1 566 . 14 1 1 A 46 46 ASN CB C 44 37.507 38.834 -1.327 1
1 568 . 14 1 1 A 47 47 ASN H H 45 7.483 7.831 -0.348 1
1 569 . 14 1 1 A 47 47 ASN HA H 45 4.706 4.770 -0.064 1
1 574 . 14 1 1 A 47 47 ASN C C 45 175.461 175.076 0.385 1
1 575 . 14 1 1 A 47 47 ASN CA C 45 52.769 54.681 -1.912 1
1 576 . 14 1 1 A 47 47 ASN CB C 45 39.194 39.192 0.002 1
1 577 . 14 1 1 A 47 47 ASN N N 45 115.277 115.554 -0.277 1
1 579 . 14 1 1 A 48 48 ASN H H 46 7.995 8.200 -0.205 1
1 580 . 14 1 1 A 48 48 ASN HA H 46 4.661 5.386 -0.725 1
1 585 . 14 1 1 A 48 48 ASN C C 46 174.812 173.968 0.844 1
1 586 . 14 1 1 A 48 48 ASN CA C 46 54.298 54.004 0.294 1
1 587 . 14 1 1 A 48 48 ASN CB C 46 39.103 36.998 2.105 1
1 588 . 14 1 1 A 48 48 ASN N N 46 116.416 117.433 -1.017 1
1 590 . 14 1 1 A 49 49 ARG H H 47 7.940 7.574 0.366 1
1 591 . 14 1 1 A 49 49 ARG HA H 47 4.205 5.009 -0.804 1
1 598 . 14 1 1 A 49 49 ARG C C 47 175.719 173.877 1.842 1
1 599 . 14 1 1 A 49 49 ARG CA C 47 57.084 54.221 2.863 1
1 600 . 14 1 1 A 49 49 ARG CB C 47 31.792 33.273 -1.481 1
1 603 . 14 1 1 A 49 49 ARG N N 47 120.017 116.334 3.683 1
1 604 . 14 1 1 A 50 50 GLN H H 48 8.641 8.623 0.018 1
1 605 . 14 1 1 A 50 50 GLN HA H 48 5.240 5.005 0.235 1
1 612 . 14 1 1 A 50 50 GLN C C 48 175.697 175.658 0.039 1
1 613 . 14 1 1 A 50 50 GLN CA C 48 55.454 55.217 0.237 1
1 614 . 14 1 1 A 50 50 GLN CB C 48 30.959 30.181 0.778 1
1 616 . 14 1 1 A 50 50 GLN N N 48 123.029 121.706 1.323 1
1 618 . 14 1 1 A 51 51 VAL H H 49 9.018 9.566 -0.548 1
1 619 . 14 1 1 A 51 51 VAL HA H 49 4.745 4.872 -0.127 1
1 627 . 14 1 1 A 51 51 VAL C C 49 174.561 174.255 0.306 1
1 628 . 14 1 1 A 51 51 VAL CA C 49 59.266 58.789 0.477 1
1 629 . 14 1 1 A 51 51 VAL CB C 49 35.845 35.665 0.180 1
1 632 . 14 1 1 A 51 51 VAL N N 49 119.358 118.364 0.994 1
1 633 . 14 1 1 A 52 52 CYS H H 50 8.895 8.802 0.093 1
1 634 . 14 1 1 A 52 52 CYS HA H 50 5.636 5.538 0.098 1
1 637 . 14 1 1 A 52 52 CYS C C 50 174.469 172.906 1.563 1
1 638 . 14 1 1 A 52 52 CYS CA C 50 56.377 54.809 1.568 1
1 639 . 14 1 1 A 52 52 CYS CB C 50 44.680 43.882 0.798 1
1 640 . 14 1 1 A 52 52 CYS N N 50 120.834 119.477 1.357 1
1 641 . 14 1 1 A 53 53 ILE H H 51 8.615 9.825 -1.210 1
1 642 . 14 1 1 A 53 53 ILE HA H 51 4.512 4.618 -0.106 1
1 652 . 14 1 1 A 53 53 ILE C C 51 174.137 175.049 -0.912 1
1 653 . 14 1 1 A 53 53 ILE CA C 51 59.397 60.409 -1.012 1
1 654 . 14 1 1 A 53 53 ILE CB C 51 39.603 39.728 -0.125 1
1 658 . 14 1 1 A 53 53 ILE N N 51 122.392 125.264 -2.872 1
1 659 . 14 1 1 A 54 54 ASP H H 52 7.766 8.342 -0.576 1
1 660 . 14 1 1 A 54 54 ASP HA H 52 3.572 3.425 0.147 1
1 663 . 14 1 1 A 54 54 ASP CA C 52 51.578 51.398 0.180 1
1 664 . 14 1 1 A 54 54 ASP CB C 52 42.381 41.696 0.685 1
1 665 . 14 1 1 A 54 54 ASP N N 52 126.398 127.270 -0.872 1
1 666 . 14 1 1 A 55 55 PRO HA H 53 4.011 4.286 -0.275 1
1 673 . 14 1 1 A 55 55 PRO C C 53 176.274 176.643 -0.369 1
1 674 . 14 1 1 A 55 55 PRO CA C 53 63.546 63.946 -0.400 1
1 675 . 14 1 1 A 55 55 PRO CB C 53 32.270 31.597 0.673 1
1 678 . 14 1 1 A 56 56 LYS H H 54 8.053 7.991 0.062 1
1 679 . 14 1 1 A 56 56 LYS HA H 54 3.982 4.325 -0.343 1
1 688 . 14 1 1 A 56 56 LYS C C 54 177.867 176.499 1.368 1
1 689 . 14 1 1 A 56 56 LYS CA C 54 56.189 56.175 0.014 1
1 690 . 14 1 1 A 56 56 LYS CB C 54 31.649 32.996 -1.347 1
1 694 . 14 1 1 A 56 56 LYS N N 54 115.161 117.194 -2.033 1
1 695 . 14 1 1 A 57 57 LEU H H 55 7.145 6.856 0.289 1
1 696 . 14 1 1 A 57 57 LEU HA H 55 4.027 4.139 -0.112 1
1 706 . 14 1 1 A 57 57 LEU C C 55 179.221 177.815 1.406 1
1 707 . 14 1 1 A 57 57 LEU CA C 55 14.371 55.326 -40.955 1
1 708 . 14 1 1 A 57 57 LEU CB C 55 41.739 41.740 -0.001 1
1 712 . 14 1 1 A 57 57 LEU N N 55 120.921 121.687 -0.766 1
1 713 . 14 1 1 A 58 58 LYS H H 56 8.798 8.850 -0.052 1
1 714 . 14 1 1 A 58 58 LYS HA H 56 3.937 3.874 0.063 1
1 723 . 14 1 1 A 58 58 LYS C C 56 179.161 178.550 0.611 1
1 724 . 14 1 1 A 58 58 LYS CA C 56 60.116 59.626 0.490 1
1 725 . 14 1 1 A 58 58 LYS CB C 56 32.100 32.115 -0.015 1
1 729 . 14 1 1 A 58 58 LYS N N 56 125.449 121.642 3.807 1
1 730 . 14 1 1 A 59 59 TRP H H 57 7.821 8.282 -0.461 1
1 731 . 14 1 1 A 59 59 TRP HA H 57 4.636 4.492 0.144 1
1 740 . 14 1 1 A 59 59 TRP C C 57 178.642 179.344 -0.702 1
1 741 . 14 1 1 A 59 59 TRP CA C 57 58.388 59.867 -1.479 1
1 742 . 14 1 1 A 59 59 TRP CB C 57 27.954 28.063 -0.109 1
1 748 . 14 1 1 A 59 59 TRP N N 57 113.650 118.604 -4.954 1
1 750 . 14 1 1 A 60 60 ILE H H 58 6.340 7.459 -1.119 1
1 751 . 14 1 1 A 60 60 ILE HA H 58 3.620 3.218 0.402 1
1 761 . 14 1 1 A 60 60 ILE C C 58 177.104 177.624 -0.520 1
1 762 . 14 1 1 A 60 60 ILE CA C 58 61.605 64.647 -3.042 1
1 763 . 14 1 1 A 60 60 ILE CB C 58 36.043 37.128 -1.085 1
1 767 . 14 1 1 A 60 60 ILE N N 58 123.265 122.429 0.836 1
1 768 . 14 1 1 A 61 61 GLN H H 59 7.710 8.216 -0.506 1
1 769 . 14 1 1 A 61 61 GLN HA H 59 3.824 3.852 -0.028 1
1 776 . 14 1 1 A 61 61 GLN C C 59 178.933 178.751 0.182 1
1 777 . 14 1 1 A 61 61 GLN CA C 59 59.663 59.059 0.604 1
1 778 . 14 1 1 A 61 61 GLN CB C 59 27.972 28.267 -0.295 1
1 780 . 14 1 1 A 61 61 GLN N N 59 120.515 118.065 2.450 1
1 782 . 14 1 1 A 62 62 GLU H H 60 8.042 8.069 -0.027 1
1 783 . 14 1 1 A 62 62 GLU HA H 60 4.093 4.071 0.022 1
1 788 . 14 1 1 A 62 62 GLU C C 60 178.539 178.615 -0.076 1
1 789 . 14 1 1 A 62 62 GLU CA C 60 59.152 59.585 -0.433 1
1 790 . 14 1 1 A 62 62 GLU CB C 60 29.896 29.601 0.295 1
1 792 . 14 1 1 A 62 62 GLU N N 60 117.976 120.665 -2.689 1
1 793 . 14 1 1 A 63 63 TYR H H 61 7.882 8.499 -0.617 1
1 794 . 14 1 1 A 63 63 TYR HA H 61 4.214 4.195 0.019 1
1 801 . 14 1 1 A 63 63 TYR C C 61 178.157 177.538 0.619 1
1 802 . 14 1 1 A 63 63 TYR CA C 61 61.281 61.529 -0.248 1
1 803 . 14 1 1 A 63 63 TYR CB C 61 38.956 39.050 -0.094 1
1 806 . 14 1 1 A 63 63 TYR N N 61 120.743 122.741 -1.998 1
1 807 . 14 1 1 A 64 64 LEU H H 62 8.438 8.730 -0.292 1
1 808 . 14 1 1 A 64 64 LEU HA H 62 3.886 3.670 0.216 1
1 818 . 14 1 1 A 64 64 LEU C C 62 178.678 179.666 -0.988 1
1 819 . 14 1 1 A 64 64 LEU CA C 62 57.619 58.145 -0.526 1
1 820 . 14 1 1 A 64 64 LEU CB C 62 41.868 41.673 0.195 1
1 824 . 14 1 1 A 64 64 LEU N N 62 119.052 120.268 -1.216 1
1 825 . 14 1 1 A 65 65 GLU H H 63 7.884 8.487 -0.603 1
1 826 . 14 1 1 A 65 65 GLU HA H 63 3.998 4.070 -0.072 1
1 831 . 14 1 1 A 65 65 GLU C C 63 178.447 178.347 0.100 1
1 832 . 14 1 1 A 65 65 GLU CA C 63 59.143 58.029 1.114 1
1 833 . 14 1 1 A 65 65 GLU CB C 63 29.708 27.198 2.510 1
1 835 . 14 1 1 A 65 65 GLU N N 63 118.310 118.031 0.279 1
1 836 . 14 1 1 A 66 66 LYS H H 64 7.576 7.471 0.105 1
1 837 . 14 1 1 A 66 66 LYS HA H 64 4.208 4.206 0.002 1
1 846 . 14 1 1 A 66 66 LYS C C 64 177.941 177.833 0.108 1
1 847 . 14 1 1 A 66 66 LYS CA C 64 57.543 58.289 -0.746 1
1 848 . 14 1 1 A 66 66 LYS CB C 64 32.620 33.345 -0.725 1
1 852 . 14 1 1 A 66 66 LYS N N 64 117.398 118.773 -1.375 1
1 853 . 14 1 1 A 67 67 ALA H H 65 7.934 7.980 -0.046 1
1 854 . 14 1 1 A 67 67 ALA HA H 65 4.106 4.272 -0.166 1
1 858 . 14 1 1 A 67 67 ALA C C 65 178.624 179.402 -0.778 1
1 859 . 14 1 1 A 67 67 ALA CA C 65 53.790 53.566 0.224 1
1 860 . 14 1 1 A 67 67 ALA CB C 65 19.106 19.181 -0.075 1
1 861 . 14 1 1 A 67 67 ALA N N 65 121.561 121.607 -0.046 1
1 862 . 14 1 1 A 68 68 LEU H H 66 7.835 7.827 0.008 1
1 863 . 14 1 1 A 68 68 LEU HA H 66 4.268 3.913 0.355 1
1 873 . 14 1 1 A 68 68 LEU CA C 66 55.593 57.641 -2.048 1
1 874 . 14 1 1 A 68 68 LEU CB C 66 42.191 41.574 0.617 1
1 877 . 14 1 1 A 68 68 LEU N N 66 117.270 118.747 -1.477 1
1 878 . 14 1 1 A 69 69 ASN H H 67 7.914 7.735 0.179 1
1 879 . 14 1 1 A 69 69 ASN HA H 67 4.731 4.714 0.017 1
1 884 . 14 1 1 A 69 69 ASN C C 67 174.039 175.146 -1.107 1
1 885 . 14 1 1 A 69 69 ASN CA C 67 53.328 54.077 -0.749 1
1 886 . 14 1 1 A 69 69 ASN CB C 67 39.091 38.376 0.715 1
1 887 . 14 1 1 A 69 69 ASN N N 67 118.309 115.615 2.694 1
1 18 . 15 1 1 A 4 4 PRO HA H 2 4.447 4.651 -0.204 1
1 25 . 15 1 1 A 4 4 PRO C C 2 176.996 175.766 1.230 1
1 26 . 15 1 1 A 4 4 PRO CA C 2 63.494 62.509 0.985 1
1 27 . 15 1 1 A 4 4 PRO CB C 2 32.161 32.536 -0.375 1
1 30 . 15 1 1 A 5 5 VAL H H 3 8.292 8.547 -0.255 1
1 31 . 15 1 1 A 5 5 VAL HA H 3 4.074 4.283 -0.209 1
1 39 . 15 1 1 A 5 5 VAL C C 3 176.376 175.285 1.091 1
1 40 . 15 1 1 A 5 5 VAL CA C 3 62.495 61.660 0.835 1
1 41 . 15 1 1 A 5 5 VAL CB C 3 32.808 31.152 1.656 1
1 43 . 15 1 1 A 5 5 VAL N N 3 121.008 122.284 -1.276 1
1 44 . 15 1 1 A 6 6 SER H H 4 8.313 9.016 -0.703 1
1 45 . 15 1 1 A 6 6 SER HA H 4 4.419 5.100 -0.681 1
1 48 . 15 1 1 A 6 6 SER C C 4 174.577 173.277 1.300 1
1 49 . 15 1 1 A 6 6 SER CA C 4 58.148 57.522 0.626 1
1 50 . 15 1 1 A 6 6 SER CB C 4 63.870 64.428 -0.558 1
1 51 . 15 1 1 A 6 6 SER N N 4 119.573 123.957 -4.384 1
1 52 . 15 1 1 A 7 7 LEU H H 5 8.326 8.644 -0.318 1
1 53 . 15 1 1 A 7 7 LEU HA H 5 4.342 4.797 -0.455 1
1 63 . 15 1 1 A 7 7 LEU C C 5 177.341 175.406 1.935 1
1 64 . 15 1 1 A 7 7 LEU CA C 5 55.388 54.367 1.021 1
1 65 . 15 1 1 A 7 7 LEU CB C 5 42.650 45.682 -3.032 1
1 68 . 15 1 1 A 7 7 LEU N N 5 125.039 126.734 -1.695 1
1 69 . 15 1 1 A 8 8 SER H H 6 8.157 8.648 -0.491 1
1 70 . 15 1 1 A 8 8 SER HA H 6 4.360 4.442 -0.082 1
1 73 . 15 1 1 A 8 8 SER C C 6 174.189 174.098 0.091 1
1 74 . 15 1 1 A 8 8 SER CA C 6 58.433 60.027 -1.594 1
1 75 . 15 1 1 A 8 8 SER CB C 6 63.870 63.736 0.134 1
1 76 . 15 1 1 A 8 8 SER N N 6 116.154 121.546 -5.392 1
1 77 . 15 1 1 A 9 9 TYR H H 7 8.017 8.749 -0.732 1
1 78 . 15 1 1 A 9 9 TYR HA H 7 4.512 4.588 -0.076 1
1 85 . 15 1 1 A 9 9 TYR C C 7 175.520 174.781 0.739 1
1 86 . 15 1 1 A 9 9 TYR CA C 7 58.008 57.883 0.125 1
1 87 . 15 1 1 A 9 9 TYR CB C 7 38.956 38.824 0.132 1
1 90 . 15 1 1 A 9 9 TYR N N 7 122.213 126.435 -4.222 1
1 91 . 15 1 1 A 10 10 ARG H H 8 8.152 8.599 -0.447 1
1 92 . 15 1 1 A 10 10 ARG HA H 8 4.260 4.377 -0.117 1
1 99 . 15 1 1 A 10 10 ARG C C 8 175.918 175.657 0.261 1
1 100 . 15 1 1 A 10 10 ARG CA C 8 56.104 56.810 -0.706 1
1 101 . 15 1 1 A 10 10 ARG CB C 8 30.875 31.642 -0.767 1
1 104 . 15 1 1 A 10 10 ARG N N 8 122.182 125.235 -3.053 1
1 105 . 15 1 1 A 11 11 CYS H H 9 8.132 7.627 0.505 1
1 106 . 15 1 1 A 11 11 CYS HA H 9 4.935 4.681 0.254 1
1 109 . 15 1 1 A 11 11 CYS C C 9 173.615 173.053 0.562 1
1 110 . 15 1 1 A 11 11 CYS CA C 9 53.127 54.463 -1.336 1
1 111 . 15 1 1 A 11 11 CYS CB C 9 40.201 43.237 -3.036 1
1 112 . 15 1 1 A 11 11 CYS N N 9 121.280 116.393 4.887 1
1 113 . 15 1 1 A 12 12 PRO HA H 10 4.290 4.359 -0.069 1
1 120 . 15 1 1 A 12 12 PRO C C 10 177.703 176.391 1.312 1
1 121 . 15 1 1 A 12 12 PRO CA C 10 64.835 64.856 -0.021 1
1 122 . 15 1 1 A 12 12 PRO CB C 10 32.484 31.604 0.880 1
1 125 . 15 1 1 A 13 13 CYS H H 11 8.300 8.018 0.282 1
1 126 . 15 1 1 A 13 13 CYS HA H 11 4.891 4.868 0.023 1
1 129 . 15 1 1 A 13 13 CYS C C 11 174.202 172.984 1.218 1
1 130 . 15 1 1 A 13 13 CYS CA C 11 53.480 56.141 -2.661 1
1 131 . 15 1 1 A 13 13 CYS CB C 11 39.603 43.919 -4.316 1
1 132 . 15 1 1 A 13 13 CYS N N 11 114.161 116.902 -2.741 1
1 133 . 15 1 1 A 14 14 ARG HA H 12 3.963 4.163 -0.200 1
1 140 . 15 1 1 A 14 14 ARG C C 12 175.202 175.972 -0.770 1
1 141 . 15 1 1 A 14 14 ARG CA C 12 57.293 57.163 0.130 1
1 142 . 15 1 1 A 14 14 ARG CB C 12 31.099 31.477 -0.378 1
1 145 . 15 1 1 A 15 15 PHE H H 13 7.543 7.841 -0.298 1
1 146 . 15 1 1 A 15 15 PHE HA H 13 4.496 4.955 -0.459 1
1 154 . 15 1 1 A 15 15 PHE C C 13 174.226 175.128 -0.902 1
1 155 . 15 1 1 A 15 15 PHE CA C 13 55.971 55.881 0.090 1
1 156 . 15 1 1 A 15 15 PHE CB C 13 41.032 41.526 -0.494 1
1 160 . 15 1 1 A 15 15 PHE N N 13 116.175 115.097 1.078 1
1 161 . 15 1 1 A 16 16 PHE H H 14 8.305 8.884 -0.579 1
1 162 . 15 1 1 A 16 16 PHE HA H 14 4.812 4.887 -0.075 1
1 170 . 15 1 1 A 16 16 PHE C C 14 175.247 176.646 -1.399 1
1 171 . 15 1 1 A 16 16 PHE CA C 14 55.559 57.139 -1.580 1
1 172 . 15 1 1 A 16 16 PHE CB C 14 41.220 41.146 0.074 1
1 176 . 15 1 1 A 16 16 PHE N N 14 119.656 121.619 -1.963 1
1 177 . 15 1 1 A 17 17 GLU H H 15 8.879 9.800 -0.921 1
1 178 . 15 1 1 A 17 17 GLU HA H 15 4.536 4.006 0.530 1
1 183 . 15 1 1 A 17 17 GLU C C 15 176.747 176.663 0.084 1
1 184 . 15 1 1 A 17 17 GLU CA C 15 56.012 59.281 -3.269 1
1 185 . 15 1 1 A 17 17 GLU CB C 15 30.876 29.290 1.586 1
1 187 . 15 1 1 A 17 17 GLU N N 15 122.563 124.883 -2.320 1
1 188 . 15 1 1 A 18 18 SER H H 16 8.810 8.257 0.553 1
1 189 . 15 1 1 A 18 18 SER HA H 16 4.673 4.883 -0.210 1
1 192 . 15 1 1 A 18 18 SER C C 16 174.278 173.909 0.369 1
1 193 . 15 1 1 A 18 18 SER CA C 16 59.799 60.032 -0.233 1
1 194 . 15 1 1 A 18 18 SER CB C 16 63.999 62.968 1.031 1
1 195 . 15 1 1 A 18 18 SER N N 16 119.679 115.041 4.638 1
1 196 . 15 1 1 A 19 19 HIS H H 17 8.712 8.082 0.630 1
1 197 . 15 1 1 A 19 19 HIS HA H 17 4.777 4.667 0.110 1
1 202 . 15 1 1 A 19 19 HIS C C 17 174.580 174.959 -0.379 1
1 203 . 15 1 1 A 19 19 HIS CA C 17 56.240 55.245 0.995 1
1 204 . 15 1 1 A 19 19 HIS CB C 17 29.896 29.078 0.818 1
1 207 . 15 1 1 A 19 19 HIS N N 17 120.269 120.212 0.057 1
1 208 . 15 1 1 A 20 20 VAL H H 18 7.145 7.665 -0.520 1
1 209 . 15 1 1 A 20 20 VAL HA H 18 4.132 4.154 -0.022 1
1 217 . 15 1 1 A 20 20 VAL C C 18 174.138 175.272 -1.134 1
1 218 . 15 1 1 A 20 20 VAL CA C 18 61.605 61.824 -0.219 1
1 219 . 15 1 1 A 20 20 VAL CB C 18 34.102 32.943 1.159 1
1 221 . 15 1 1 A 20 20 VAL N N 18 120.100 120.760 -0.660 1
1 222 . 15 1 1 A 21 21 ALA H H 19 8.554 8.318 0.236 1
1 223 . 15 1 1 A 21 21 ALA HA H 19 4.353 4.338 0.015 1
1 227 . 15 1 1 A 21 21 ALA C C 19 177.514 177.577 -0.063 1
1 228 . 15 1 1 A 21 21 ALA CA C 19 50.666 50.117 0.549 1
1 229 . 15 1 1 A 21 21 ALA CB C 19 19.648 20.505 -0.857 1
1 230 . 15 1 1 A 21 21 ALA N N 19 131.180 130.049 1.131 1
1 231 . 15 1 1 A 22 22 ARG H H 20 7.813 8.133 -0.320 1
1 232 . 15 1 1 A 22 22 ARG HA H 20 2.621 2.898 -0.277 1
1 239 . 15 1 1 A 22 22 ARG C C 20 178.531 177.259 1.272 1
1 240 . 15 1 1 A 22 22 ARG CA C 20 59.155 58.868 0.287 1
1 241 . 15 1 1 A 22 22 ARG CB C 20 29.167 29.243 -0.076 1
1 244 . 15 1 1 A 22 22 ARG N N 20 124.436 120.995 3.441 1
1 245 . 15 1 1 A 23 23 ALA H H 21 8.191 7.458 0.733 1
1 246 . 15 1 1 A 23 23 ALA HA H 21 4.023 4.140 -0.117 1
1 250 . 15 1 1 A 23 23 ALA C C 21 177.743 177.581 0.162 1
1 251 . 15 1 1 A 23 23 ALA CA C 21 53.809 53.161 0.648 1
1 252 . 15 1 1 A 23 23 ALA CB C 21 18.712 18.652 0.060 1
1 253 . 15 1 1 A 23 23 ALA N N 21 117.354 119.970 -2.616 1
1 254 . 15 1 1 A 24 24 ASN H H 22 7.738 7.706 0.032 1
1 255 . 15 1 1 A 24 24 ASN HA H 22 4.928 4.766 0.162 1
1 260 . 15 1 1 A 24 24 ASN C C 22 174.889 175.301 -0.412 1
1 261 . 15 1 1 A 24 24 ASN CA C 22 52.590 52.438 0.152 1
1 262 . 15 1 1 A 24 24 ASN CB C 22 40.335 38.755 1.580 1
1 263 . 15 1 1 A 24 24 ASN N N 22 112.797 115.297 -2.500 1
1 265 . 15 1 1 A 25 25 VAL H H 23 7.438 7.217 0.221 1
1 266 . 15 1 1 A 25 25 VAL HA H 23 4.349 4.330 0.019 1
1 274 . 15 1 1 A 25 25 VAL C C 23 174.594 176.187 -1.593 1
1 275 . 15 1 1 A 25 25 VAL CA C 23 62.406 62.434 -0.028 1
1 276 . 15 1 1 A 25 25 VAL CB C 23 33.445 31.770 1.675 1
1 278 . 15 1 1 A 25 25 VAL N N 23 118.653 120.085 -1.432 1
1 279 . 15 1 1 A 26 26 LYS H H 24 9.262 9.547 -0.285 1
1 280 . 15 1 1 A 26 26 LYS HA H 24 4.394 4.202 0.192 1
1 289 . 15 1 1 A 26 26 LYS C C 24 175.247 176.088 -0.841 1
1 290 . 15 1 1 A 26 26 LYS CA C 24 56.483 58.374 -1.891 1
1 291 . 15 1 1 A 26 26 LYS CB C 24 35.022 33.622 1.400 1
1 295 . 15 1 1 A 26 26 LYS N N 24 125.308 130.576 -5.268 1
1 296 . 15 1 1 A 27 27 HIS H H 25 7.749 7.623 0.126 1
1 297 . 15 1 1 A 27 27 HIS HA H 25 4.625 4.933 -0.308 1
1 302 . 15 1 1 A 27 27 HIS C C 25 173.157 172.722 0.435 1
1 303 . 15 1 1 A 27 27 HIS CA C 25 55.916 55.373 0.543 1
1 304 . 15 1 1 A 27 27 HIS CB C 25 32.808 33.068 -0.260 1
1 307 . 15 1 1 A 27 27 HIS N N 25 115.509 117.188 -1.679 1
1 308 . 15 1 1 A 28 28 LEU H H 26 8.117 8.739 -0.622 1
1 309 . 15 1 1 A 28 28 LEU HA H 26 4.990 5.001 -0.011 1
1 319 . 15 1 1 A 28 28 LEU C C 26 175.514 175.622 -0.108 1
1 320 . 15 1 1 A 28 28 LEU CA C 26 54.662 53.232 1.430 1
1 321 . 15 1 1 A 28 28 LEU CB C 26 45.594 43.974 1.620 1
1 325 . 15 1 1 A 29 29 LYS H H 27 9.028 8.754 0.274 1
1 326 . 15 1 1 A 29 29 LYS HA H 27 4.585 4.903 -0.318 1
1 335 . 15 1 1 A 29 29 LYS C C 27 173.758 174.072 -0.314 1
1 336 . 15 1 1 A 29 29 LYS CA C 27 54.945 55.303 -0.358 1
1 337 . 15 1 1 A 29 29 LYS CB C 27 36.358 36.023 0.335 1
1 341 . 15 1 1 A 29 29 LYS N N 27 122.904 122.132 0.772 1
1 342 . 15 1 1 A 30 30 ILE H H 28 8.540 9.053 -0.513 1
1 343 . 15 1 1 A 30 30 ILE HA H 28 4.626 4.894 -0.268 1
1 353 . 15 1 1 A 30 30 ILE C C 28 175.988 174.525 1.463 1
1 354 . 15 1 1 A 30 30 ILE CA C 28 60.122 59.154 0.968 1
1 355 . 15 1 1 A 30 30 ILE CB C 28 38.795 39.252 -0.457 1
1 359 . 15 1 1 A 30 30 ILE N N 28 123.517 127.741 -4.224 1
1 360 . 15 1 1 A 31 31 LEU H H 29 8.961 9.679 -0.718 1
1 361 . 15 1 1 A 31 31 LEU HA H 29 4.564 5.066 -0.502 1
1 371 . 15 1 1 A 31 31 LEU C C 29 176.005 174.602 1.403 1
1 372 . 15 1 1 A 31 31 LEU CA C 29 53.975 53.363 0.612 1
1 373 . 15 1 1 A 31 31 LEU CB C 29 43.485 43.407 0.078 1
1 376 . 15 1 1 A 31 31 LEU N N 29 128.881 127.483 1.398 1
1 377 . 15 1 1 A 32 32 ASN H H 30 8.763 8.922 -0.159 1
1 378 . 15 1 1 A 32 32 ASN HA H 30 4.991 5.140 -0.149 1
1 383 . 15 1 1 A 32 32 ASN C C 30 174.462 174.196 0.266 1
1 384 . 15 1 1 A 32 32 ASN CA C 30 52.413 51.849 0.564 1
1 385 . 15 1 1 A 32 32 ASN CB C 30 39.238 40.571 -1.333 1
1 386 . 15 1 1 A 32 32 ASN N N 30 124.019 123.616 0.403 1
1 388 . 15 1 1 A 33 33 THR H H 31 8.170 8.527 -0.357 1
1 389 . 15 1 1 A 33 33 THR HA H 31 4.628 4.739 -0.111 1
1 394 . 15 1 1 A 33 33 THR CA C 31 59.475 59.314 0.161 1
1 395 . 15 1 1 A 33 33 THR CB C 31 70.435 69.734 0.701 1
1 397 . 15 1 1 A 33 33 THR N N 31 119.276 121.607 -2.331 1
1 398 . 15 1 1 A 34 34 PRO HA H 32 4.223 4.300 -0.077 1
1 405 . 15 1 1 A 34 34 PRO C C 32 176.814 177.803 -0.989 1
1 406 . 15 1 1 A 34 34 PRO CA C 32 64.445 65.742 -1.297 1
1 407 . 15 1 1 A 34 34 PRO CB C 32 32.161 31.827 0.334 1
1 410 . 15 1 1 A 35 35 ASN H H 33 8.574 8.533 0.041 1
1 411 . 15 1 1 A 35 35 ASN HA H 33 4.320 4.759 -0.439 1
1 416 . 15 1 1 A 35 35 ASN C C 33 174.344 175.243 -0.899 1
1 417 . 15 1 1 A 35 35 ASN CA C 33 54.945 53.126 1.819 1
1 418 . 15 1 1 A 35 35 ASN CB C 33 38.122 38.904 -0.782 1
1 419 . 15 1 1 A 35 35 ASN N N 33 113.042 113.253 -0.211 1
1 421 . 15 1 1 A 36 36 CYS H H 34 7.554 8.004 -0.450 1
1 422 . 15 1 1 A 36 36 CYS HA H 34 4.891 4.853 0.038 1
1 425 . 15 1 1 A 36 36 CYS C C 34 173.880 173.641 0.239 1
1 426 . 15 1 1 A 36 36 CYS CA C 34 54.622 56.587 -1.965 1
1 427 . 15 1 1 A 36 36 CYS CB C 34 44.780 44.247 0.533 1
1 428 . 15 1 1 A 36 36 CYS N N 34 116.301 117.590 -1.289 1
1 429 . 15 1 1 A 37 37 ALA H H 35 8.418 7.642 0.776 1
1 430 . 15 1 1 A 37 37 ALA HA H 35 4.237 4.476 -0.239 1
1 434 . 15 1 1 A 37 37 ALA C C 35 176.677 175.555 1.122 1
1 435 . 15 1 1 A 37 37 ALA CA C 35 52.413 51.486 0.927 1
1 436 . 15 1 1 A 37 37 ALA CB C 35 18.992 21.688 -2.696 1
1 437 . 15 1 1 A 37 37 ALA N N 35 125.001 118.036 6.965 1
1 438 . 15 1 1 A 38 38 LEU H H 36 8.060 8.513 -0.453 1
1 439 . 15 1 1 A 38 38 LEU HA H 36 4.203 4.450 -0.247 1
1 449 . 15 1 1 A 38 38 LEU C C 36 176.194 175.901 0.293 1
1 450 . 15 1 1 A 38 38 LEU CA C 36 56.563 55.037 1.526 1
1 451 . 15 1 1 A 38 38 LEU CB C 36 42.488 42.464 0.024 1
1 455 . 15 1 1 A 38 38 LEU N N 36 121.548 119.318 2.230 1
1 456 . 15 1 1 A 39 39 GLN H H 37 8.434 8.484 -0.050 1
1 457 . 15 1 1 A 39 39 GLN HA H 37 4.623 5.183 -0.560 1
1 464 . 15 1 1 A 39 39 GLN C C 37 173.581 174.425 -0.844 1
1 465 . 15 1 1 A 39 39 GLN CA C 37 54.109 54.262 -0.153 1
1 466 . 15 1 1 A 39 39 GLN CB C 37 32.286 32.492 -0.206 1
1 468 . 15 1 1 A 39 39 GLN N N 37 123.271 121.329 1.942 1
1 470 . 15 1 1 A 40 40 ILE H H 38 9.408 9.107 0.301 1
1 471 . 15 1 1 A 40 40 ILE HA H 38 4.735 4.977 -0.242 1
1 481 . 15 1 1 A 40 40 ILE C C 38 174.547 174.788 -0.241 1
1 482 . 15 1 1 A 40 40 ILE CA C 38 60.122 59.951 0.171 1
1 483 . 15 1 1 A 40 40 ILE CB C 38 38.899 40.721 -1.822 1
1 487 . 15 1 1 A 40 40 ILE N N 38 124.702 124.454 0.248 1
1 488 . 15 1 1 A 41 41 VAL H H 39 8.826 9.689 -0.863 1
1 489 . 15 1 1 A 41 41 VAL HA H 39 5.041 5.100 -0.059 1
1 497 . 15 1 1 A 41 41 VAL C C 39 174.772 174.689 0.083 1
1 498 . 15 1 1 A 41 41 VAL CA C 39 60.111 61.077 -0.966 1
1 499 . 15 1 1 A 41 41 VAL CB C 39 34.767 34.490 0.277 1
1 501 . 15 1 1 A 41 41 VAL N N 39 124.047 126.608 -2.561 1
1 502 . 15 1 1 A 42 42 ALA H H 40 9.299 9.523 -0.224 1
1 503 . 15 1 1 A 42 42 ALA HA H 40 5.276 5.867 -0.591 1
1 507 . 15 1 1 A 42 42 ALA C C 40 175.955 174.987 0.968 1
1 508 . 15 1 1 A 42 42 ALA CA C 40 50.093 50.548 -0.455 1
1 509 . 15 1 1 A 42 42 ALA CB C 40 23.800 24.212 -0.412 1
1 510 . 15 1 1 A 42 42 ALA N N 40 126.567 128.088 -1.521 1
1 511 . 15 1 1 A 43 43 ARG H H 41 8.398 8.631 -0.233 1
1 512 . 15 1 1 A 43 43 ARG HA H 41 5.131 5.144 -0.013 1
1 519 . 15 1 1 A 43 43 ARG C C 41 176.184 175.126 1.058 1
1 520 . 15 1 1 A 43 43 ARG CA C 41 53.900 54.554 -0.654 1
1 521 . 15 1 1 A 43 43 ARG CB C 41 32.161 33.665 -1.504 1
1 524 . 15 1 1 A 43 43 ARG N N 41 118.991 121.189 -2.198 1
1 525 . 15 1 1 A 44 44 LEU H H 42 8.988 9.493 -0.505 1
1 526 . 15 1 1 A 44 44 LEU HA H 42 4.925 4.956 -0.031 1
1 536 . 15 1 1 A 44 44 LEU C C 42 178.369 176.716 1.653 1
1 537 . 15 1 1 A 44 44 LEU CA C 42 54.329 54.195 0.134 1
1 538 . 15 1 1 A 44 44 LEU CB C 42 41.497 42.733 -1.236 1
1 542 . 15 1 1 A 44 44 LEU N N 42 125.637 127.465 -1.828 1
1 543 . 15 1 1 A 45 45 LYS H H 43 8.470 9.449 -0.979 1
1 544 . 15 1 1 A 45 45 LYS HA H 43 3.823 4.180 -0.357 1
1 553 . 15 1 1 A 45 45 LYS CA C 43 59.340 58.508 0.832 1
1 554 . 15 1 1 A 45 45 LYS CB C 43 33.445 32.920 0.525 1
1 558 . 15 1 1 A 45 45 LYS N N 43 120.489 122.742 -2.253 1
1 559 . 15 1 1 A 46 46 ASN HA H 44 4.421 4.480 -0.059 1
1 564 . 15 1 1 A 46 46 ASN C C 44 175.970 177.038 -1.068 1
1 565 . 15 1 1 A 46 46 ASN CA C 44 55.457 55.986 -0.529 1
1 566 . 15 1 1 A 46 46 ASN CB C 44 37.507 39.086 -1.579 1
1 568 . 15 1 1 A 47 47 ASN H H 45 7.483 7.992 -0.509 1
1 569 . 15 1 1 A 47 47 ASN HA H 45 4.706 4.681 0.025 1
1 574 . 15 1 1 A 47 47 ASN C C 45 175.461 175.074 0.387 1
1 575 . 15 1 1 A 47 47 ASN CA C 45 52.769 52.028 0.741 1
1 576 . 15 1 1 A 47 47 ASN CB C 45 39.194 37.543 1.651 1
1 577 . 15 1 1 A 47 47 ASN N N 45 115.277 112.912 2.365 1
1 579 . 15 1 1 A 48 48 ASN H H 46 7.995 8.040 -0.045 1
1 580 . 15 1 1 A 48 48 ASN HA H 46 4.661 4.879 -0.218 1
1 585 . 15 1 1 A 48 48 ASN C C 46 174.812 173.739 1.073 1
1 586 . 15 1 1 A 48 48 ASN CA C 46 54.298 54.393 -0.095 1
1 587 . 15 1 1 A 48 48 ASN CB C 46 39.103 37.007 2.096 1
1 588 . 15 1 1 A 48 48 ASN N N 46 116.416 114.092 2.324 1
1 590 . 15 1 1 A 49 49 ARG H H 47 7.940 7.751 0.189 1
1 591 . 15 1 1 A 49 49 ARG HA H 47 4.205 4.776 -0.571 1
1 598 . 15 1 1 A 49 49 ARG C C 47 175.719 175.045 0.674 1
1 599 . 15 1 1 A 49 49 ARG CA C 47 57.084 55.564 1.520 1
1 600 . 15 1 1 A 49 49 ARG CB C 47 31.792 31.935 -0.143 1
1 603 . 15 1 1 A 49 49 ARG N N 47 120.017 115.587 4.430 1
1 604 . 15 1 1 A 50 50 GLN H H 48 8.641 8.681 -0.040 1
1 605 . 15 1 1 A 50 50 GLN HA H 48 5.240 4.907 0.333 1
1 612 . 15 1 1 A 50 50 GLN C C 48 175.697 175.850 -0.153 1
1 613 . 15 1 1 A 50 50 GLN CA C 48 55.454 55.360 0.094 1
1 614 . 15 1 1 A 50 50 GLN CB C 48 30.959 30.022 0.937 1
1 616 . 15 1 1 A 50 50 GLN N N 48 123.029 123.127 -0.098 1
1 618 . 15 1 1 A 51 51 VAL H H 49 9.018 9.664 -0.646 1
1 619 . 15 1 1 A 51 51 VAL HA H 49 4.745 4.822 -0.077 1
1 627 . 15 1 1 A 51 51 VAL C C 49 174.561 174.160 0.401 1
1 628 . 15 1 1 A 51 51 VAL CA C 49 59.266 58.762 0.504 1
1 629 . 15 1 1 A 51 51 VAL CB C 49 35.845 35.745 0.100 1
1 632 . 15 1 1 A 51 51 VAL N N 49 119.358 118.514 0.844 1
1 633 . 15 1 1 A 52 52 CYS H H 50 8.895 8.669 0.226 1
1 634 . 15 1 1 A 52 52 CYS HA H 50 5.636 5.380 0.256 1
1 637 . 15 1 1 A 52 52 CYS C C 50 174.469 173.352 1.117 1
1 638 . 15 1 1 A 52 52 CYS CA C 50 56.377 54.570 1.807 1
1 639 . 15 1 1 A 52 52 CYS CB C 50 44.680 43.379 1.301 1
1 640 . 15 1 1 A 52 52 CYS N N 50 120.834 119.826 1.008 1
1 641 . 15 1 1 A 53 53 ILE H H 51 8.615 9.629 -1.014 1
1 642 . 15 1 1 A 53 53 ILE HA H 51 4.512 4.643 -0.131 1
1 652 . 15 1 1 A 53 53 ILE C C 51 174.137 175.278 -1.141 1
1 653 . 15 1 1 A 53 53 ILE CA C 51 59.397 60.103 -0.706 1
1 654 . 15 1 1 A 53 53 ILE CB C 51 39.603 40.016 -0.413 1
1 658 . 15 1 1 A 53 53 ILE N N 51 122.392 125.707 -3.315 1
1 659 . 15 1 1 A 54 54 ASP H H 52 7.766 8.515 -0.749 1
1 660 . 15 1 1 A 54 54 ASP HA H 52 3.572 3.846 -0.274 1
1 663 . 15 1 1 A 54 54 ASP CA C 52 51.578 51.754 -0.176 1
1 664 . 15 1 1 A 54 54 ASP CB C 52 42.381 40.308 2.073 1
1 665 . 15 1 1 A 54 54 ASP N N 52 126.398 123.818 2.580 1
1 666 . 15 1 1 A 55 55 PRO HA H 53 4.011 4.290 -0.279 1
1 673 . 15 1 1 A 55 55 PRO C C 53 176.274 176.903 -0.629 1
1 674 . 15 1 1 A 55 55 PRO CA C 53 63.546 63.901 -0.355 1
1 675 . 15 1 1 A 55 55 PRO CB C 53 32.270 31.501 0.769 1
1 678 . 15 1 1 A 56 56 LYS H H 54 8.053 7.469 0.584 1
1 679 . 15 1 1 A 56 56 LYS HA H 54 3.982 4.266 -0.284 1
1 688 . 15 1 1 A 56 56 LYS C C 54 177.867 176.661 1.206 1
1 689 . 15 1 1 A 56 56 LYS CA C 54 56.189 56.533 -0.344 1
1 690 . 15 1 1 A 56 56 LYS CB C 54 31.649 33.211 -1.562 1
1 694 . 15 1 1 A 56 56 LYS N N 54 115.161 116.416 -1.255 1
1 695 . 15 1 1 A 57 57 LEU H H 55 7.145 6.905 0.240 1
1 696 . 15 1 1 A 57 57 LEU HA H 55 4.027 4.135 -0.108 1
1 706 . 15 1 1 A 57 57 LEU C C 55 179.221 177.606 1.615 1
1 707 . 15 1 1 A 57 57 LEU CA C 55 14.371 55.259 -40.888 1
1 708 . 15 1 1 A 57 57 LEU CB C 55 41.739 41.540 0.199 1
1 712 . 15 1 1 A 57 57 LEU N N 55 120.921 121.313 -0.392 1
1 713 . 15 1 1 A 58 58 LYS H H 56 8.798 8.941 -0.143 1
1 714 . 15 1 1 A 58 58 LYS HA H 56 3.937 3.956 -0.019 1
1 723 . 15 1 1 A 58 58 LYS C C 56 179.161 178.216 0.945 1
1 724 . 15 1 1 A 58 58 LYS CA C 56 60.116 59.600 0.516 1
1 725 . 15 1 1 A 58 58 LYS CB C 56 32.100 32.084 0.016 1
1 729 . 15 1 1 A 58 58 LYS N N 56 125.449 125.296 0.153 1
1 730 . 15 1 1 A 59 59 TRP H H 57 7.821 8.295 -0.474 1
1 731 . 15 1 1 A 59 59 TRP HA H 57 4.636 4.542 0.094 1
1 740 . 15 1 1 A 59 59 TRP C C 57 178.642 179.042 -0.400 1
1 741 . 15 1 1 A 59 59 TRP CA C 57 58.388 59.696 -1.308 1
1 742 . 15 1 1 A 59 59 TRP CB C 57 27.954 27.802 0.152 1
1 748 . 15 1 1 A 59 59 TRP N N 57 113.650 119.142 -5.492 1
1 750 . 15 1 1 A 60 60 ILE H H 58 6.340 7.381 -1.041 1
1 751 . 15 1 1 A 60 60 ILE HA H 58 3.620 3.320 0.300 1
1 761 . 15 1 1 A 60 60 ILE C C 58 177.104 177.623 -0.519 1
1 762 . 15 1 1 A 60 60 ILE CA C 58 61.605 64.225 -2.620 1
1 763 . 15 1 1 A 60 60 ILE CB C 58 36.043 36.083 -0.040 1
1 767 . 15 1 1 A 60 60 ILE N N 58 123.265 121.890 1.375 1
1 768 . 15 1 1 A 61 61 GLN H H 59 7.710 8.084 -0.374 1
1 769 . 15 1 1 A 61 61 GLN HA H 59 3.824 3.888 -0.064 1
1 776 . 15 1 1 A 61 61 GLN C C 59 178.933 179.219 -0.286 1
1 777 . 15 1 1 A 61 61 GLN CA C 59 59.663 59.056 0.607 1
1 778 . 15 1 1 A 61 61 GLN CB C 59 27.972 28.600 -0.628 1
1 780 . 15 1 1 A 61 61 GLN N N 59 120.515 119.329 1.186 1
1 782 . 15 1 1 A 62 62 GLU H H 60 8.042 7.801 0.241 1
1 783 . 15 1 1 A 62 62 GLU HA H 60 4.093 4.110 -0.017 1
1 788 . 15 1 1 A 62 62 GLU C C 60 178.539 178.700 -0.161 1
1 789 . 15 1 1 A 62 62 GLU CA C 60 59.152 59.470 -0.318 1
1 790 . 15 1 1 A 62 62 GLU CB C 60 29.896 29.494 0.402 1
1 792 . 15 1 1 A 62 62 GLU N N 60 117.976 120.540 -2.564 1
1 793 . 15 1 1 A 63 63 TYR H H 61 7.882 8.482 -0.600 1
1 794 . 15 1 1 A 63 63 TYR HA H 61 4.214 4.213 0.001 1
1 801 . 15 1 1 A 63 63 TYR C C 61 178.157 177.348 0.809 1
1 802 . 15 1 1 A 63 63 TYR CA C 61 61.281 61.476 -0.195 1
1 803 . 15 1 1 A 63 63 TYR CB C 61 38.956 38.612 0.344 1
1 806 . 15 1 1 A 63 63 TYR N N 61 120.743 121.904 -1.161 1
1 807 . 15 1 1 A 64 64 LEU H H 62 8.438 8.968 -0.530 1
1 808 . 15 1 1 A 64 64 LEU HA H 62 3.886 3.697 0.189 1
1 818 . 15 1 1 A 64 64 LEU C C 62 178.678 179.230 -0.552 1
1 819 . 15 1 1 A 64 64 LEU CA C 62 57.619 57.852 -0.233 1
1 820 . 15 1 1 A 64 64 LEU CB C 62 41.868 41.276 0.592 1
1 824 . 15 1 1 A 64 64 LEU N N 62 119.052 119.629 -0.577 1
1 825 . 15 1 1 A 65 65 GLU H H 63 7.884 8.155 -0.271 1
1 826 . 15 1 1 A 65 65 GLU HA H 63 3.998 3.920 0.078 1
1 831 . 15 1 1 A 65 65 GLU C C 63 178.447 178.782 -0.335 1
1 832 . 15 1 1 A 65 65 GLU CA C 63 59.143 59.833 -0.690 1
1 833 . 15 1 1 A 65 65 GLU CB C 63 29.708 29.315 0.393 1
1 835 . 15 1 1 A 65 65 GLU N N 63 118.310 117.983 0.327 1
1 836 . 15 1 1 A 66 66 LYS H H 64 7.576 8.349 -0.773 1
1 837 . 15 1 1 A 66 66 LYS HA H 64 4.208 4.145 0.063 1
1 846 . 15 1 1 A 66 66 LYS C C 64 177.941 177.074 0.867 1
1 847 . 15 1 1 A 66 66 LYS CA C 64 57.543 57.812 -0.269 1
1 848 . 15 1 1 A 66 66 LYS CB C 64 32.620 32.543 0.077 1
1 852 . 15 1 1 A 66 66 LYS N N 64 117.398 117.822 -0.424 1
1 853 . 15 1 1 A 67 67 ALA H H 65 7.934 7.434 0.500 1
1 854 . 15 1 1 A 67 67 ALA HA H 65 4.106 4.254 -0.148 1
1 858 . 15 1 1 A 67 67 ALA C C 65 178.624 179.354 -0.730 1
1 859 . 15 1 1 A 67 67 ALA CA C 65 53.790 53.189 0.601 1
1 860 . 15 1 1 A 67 67 ALA CB C 65 19.106 19.252 -0.146 1
1 861 . 15 1 1 A 67 67 ALA N N 65 121.561 121.389 0.172 1
1 862 . 15 1 1 A 68 68 LEU H H 66 7.835 7.550 0.285 1
1 863 . 15 1 1 A 68 68 LEU HA H 66 4.268 4.090 0.178 1
1 873 . 15 1 1 A 68 68 LEU CA C 66 55.593 56.818 -1.225 1
1 874 . 15 1 1 A 68 68 LEU CB C 66 42.191 42.637 -0.446 1
1 877 . 15 1 1 A 68 68 LEU N N 66 117.270 118.622 -1.352 1
1 878 . 15 1 1 A 69 69 ASN H H 67 7.914 7.489 0.425 1
1 879 . 15 1 1 A 69 69 ASN HA H 67 4.731 5.171 -0.440 1
1 884 . 15 1 1 A 69 69 ASN C C 67 174.039 173.779 0.260 1
1 885 . 15 1 1 A 69 69 ASN CA C 67 53.328 51.906 1.422 1
1 886 . 15 1 1 A 69 69 ASN CB C 67 39.091 40.590 -1.499 1
1 887 . 15 1 1 A 69 69 ASN N N 67 118.309 114.332 3.977 1
1 18 . 16 1 1 A 4 4 PRO HA H 2 4.447 4.745 -0.298 1
1 25 . 16 1 1 A 4 4 PRO C C 2 176.996 176.748 0.248 1
1 26 . 16 1 1 A 4 4 PRO CA C 2 63.494 62.481 1.013 1
1 27 . 16 1 1 A 4 4 PRO CB C 2 32.161 30.431 1.730 1
1 30 . 16 1 1 A 5 5 VAL H H 3 8.292 7.988 0.304 1
1 31 . 16 1 1 A 5 5 VAL HA H 3 4.074 4.300 -0.226 1
1 39 . 16 1 1 A 5 5 VAL C C 3 176.376 175.630 0.746 1
1 40 . 16 1 1 A 5 5 VAL CA C 3 62.495 61.082 1.413 1
1 41 . 16 1 1 A 5 5 VAL CB C 3 32.808 32.410 0.398 1
1 43 . 16 1 1 A 5 5 VAL N N 3 121.008 118.872 2.136 1
1 44 . 16 1 1 A 6 6 SER H H 4 8.313 8.497 -0.184 1
1 45 . 16 1 1 A 6 6 SER HA H 4 4.419 4.452 -0.033 1
1 48 . 16 1 1 A 6 6 SER C C 4 174.577 172.210 2.367 1
1 49 . 16 1 1 A 6 6 SER CA C 4 58.148 60.537 -2.389 1
1 50 . 16 1 1 A 6 6 SER CB C 4 63.870 62.238 1.632 1
1 51 . 16 1 1 A 6 6 SER N N 4 119.573 116.266 3.307 1
1 52 . 16 1 1 A 7 7 LEU H H 5 8.326 8.292 0.034 1
1 53 . 16 1 1 A 7 7 LEU HA H 5 4.342 4.876 -0.534 1
1 63 . 16 1 1 A 7 7 LEU C C 5 177.341 174.525 2.816 1
1 64 . 16 1 1 A 7 7 LEU CA C 5 55.388 54.335 1.053 1
1 65 . 16 1 1 A 7 7 LEU CB C 5 42.650 45.625 -2.975 1
1 68 . 16 1 1 A 7 7 LEU N N 5 125.039 124.481 0.558 1
1 69 . 16 1 1 A 8 8 SER H H 6 8.157 8.986 -0.829 1
1 70 . 16 1 1 A 8 8 SER HA H 6 4.360 5.298 -0.938 1
1 73 . 16 1 1 A 8 8 SER C C 6 174.189 172.862 1.327 1
1 74 . 16 1 1 A 8 8 SER CA C 6 58.433 57.112 1.321 1
1 75 . 16 1 1 A 8 8 SER CB C 6 63.870 64.921 -1.051 1
1 76 . 16 1 1 A 8 8 SER N N 6 116.154 121.513 -5.359 1
1 77 . 16 1 1 A 9 9 TYR H H 7 8.017 9.112 -1.095 1
1 78 . 16 1 1 A 9 9 TYR HA H 7 4.512 4.463 0.049 1
1 85 . 16 1 1 A 9 9 TYR C C 7 175.520 175.642 -0.122 1
1 86 . 16 1 1 A 9 9 TYR CA C 7 58.008 59.616 -1.608 1
1 87 . 16 1 1 A 9 9 TYR CB C 7 38.956 38.953 0.003 1
1 90 . 16 1 1 A 9 9 TYR N N 7 122.213 128.042 -5.829 1
1 91 . 16 1 1 A 10 10 ARG H H 8 8.152 8.212 -0.060 1
1 92 . 16 1 1 A 10 10 ARG HA H 8 4.260 4.292 -0.032 1
1 99 . 16 1 1 A 10 10 ARG C C 8 175.918 176.337 -0.419 1
1 100 . 16 1 1 A 10 10 ARG CA C 8 56.104 56.406 -0.302 1
1 101 . 16 1 1 A 10 10 ARG CB C 8 30.875 30.131 0.744 1
1 104 . 16 1 1 A 10 10 ARG N N 8 122.182 125.931 -3.749 1
1 105 . 16 1 1 A 11 11 CYS H H 9 8.132 8.758 -0.626 1
1 106 . 16 1 1 A 11 11 CYS HA H 9 4.935 4.551 0.384 1
1 109 . 16 1 1 A 11 11 CYS C C 9 173.615 173.984 -0.369 1
1 110 . 16 1 1 A 11 11 CYS CA C 9 53.127 55.521 -2.394 1
1 111 . 16 1 1 A 11 11 CYS CB C 9 40.201 41.978 -1.777 1
1 112 . 16 1 1 A 11 11 CYS N N 9 121.280 120.256 1.024 1
1 113 . 16 1 1 A 12 12 PRO HA H 10 4.290 4.243 0.047 1
1 120 . 16 1 1 A 12 12 PRO C C 10 177.703 176.331 1.372 1
1 121 . 16 1 1 A 12 12 PRO CA C 10 64.835 64.914 -0.079 1
1 122 . 16 1 1 A 12 12 PRO CB C 10 32.484 31.605 0.879 1
1 125 . 16 1 1 A 13 13 CYS H H 11 8.300 8.526 -0.226 1
1 126 . 16 1 1 A 13 13 CYS HA H 11 4.891 4.560 0.331 1
1 129 . 16 1 1 A 13 13 CYS C C 11 174.202 173.315 0.887 1
1 130 . 16 1 1 A 13 13 CYS CA C 11 53.480 54.647 -1.167 1
1 131 . 16 1 1 A 13 13 CYS CB C 11 39.603 41.944 -2.341 1
1 132 . 16 1 1 A 13 13 CYS N N 11 114.161 116.594 -2.433 1
1 133 . 16 1 1 A 14 14 ARG HA H 12 3.963 4.266 -0.303 1
1 140 . 16 1 1 A 14 14 ARG C C 12 175.202 176.051 -0.849 1
1 141 . 16 1 1 A 14 14 ARG CA C 12 57.293 57.355 -0.062 1
1 142 . 16 1 1 A 14 14 ARG CB C 12 31.099 30.907 0.192 1
1 145 . 16 1 1 A 15 15 PHE H H 13 7.543 7.527 0.016 1
1 146 . 16 1 1 A 15 15 PHE HA H 13 4.496 5.038 -0.542 1
1 154 . 16 1 1 A 15 15 PHE C C 13 174.226 172.918 1.308 1
1 155 . 16 1 1 A 15 15 PHE CA C 13 55.971 55.259 0.712 1
1 156 . 16 1 1 A 15 15 PHE CB C 13 41.032 42.774 -1.742 1
1 160 . 16 1 1 A 15 15 PHE N N 13 116.175 114.948 1.227 1
1 161 . 16 1 1 A 16 16 PHE H H 14 8.305 8.855 -0.550 1
1 162 . 16 1 1 A 16 16 PHE HA H 14 4.812 5.070 -0.258 1
1 170 . 16 1 1 A 16 16 PHE C C 14 175.247 176.362 -1.115 1
1 171 . 16 1 1 A 16 16 PHE CA C 14 55.559 56.412 -0.853 1
1 172 . 16 1 1 A 16 16 PHE CB C 14 41.220 42.661 -1.441 1
1 176 . 16 1 1 A 16 16 PHE N N 14 119.656 117.448 2.208 1
1 177 . 16 1 1 A 17 17 GLU H H 15 8.879 9.546 -0.667 1
1 178 . 16 1 1 A 17 17 GLU HA H 15 4.536 4.190 0.346 1
1 183 . 16 1 1 A 17 17 GLU C C 15 176.747 177.148 -0.401 1
1 184 . 16 1 1 A 17 17 GLU CA C 15 56.012 60.091 -4.079 1
1 185 . 16 1 1 A 17 17 GLU CB C 15 30.876 29.556 1.320 1
1 187 . 16 1 1 A 17 17 GLU N N 15 122.563 124.785 -2.222 1
1 188 . 16 1 1 A 18 18 SER H H 16 8.810 8.357 0.453 1
1 189 . 16 1 1 A 18 18 SER HA H 16 4.673 4.525 0.148 1
1 192 . 16 1 1 A 18 18 SER C C 16 174.278 173.698 0.580 1
1 193 . 16 1 1 A 18 18 SER CA C 16 59.799 60.194 -0.395 1
1 194 . 16 1 1 A 18 18 SER CB C 16 63.999 61.961 2.038 1
1 195 . 16 1 1 A 18 18 SER N N 16 119.679 115.327 4.352 1
1 196 . 16 1 1 A 19 19 HIS H H 17 8.712 8.325 0.387 1
1 197 . 16 1 1 A 19 19 HIS HA H 17 4.777 4.983 -0.206 1
1 202 . 16 1 1 A 19 19 HIS C C 17 174.580 174.410 0.170 1
1 203 . 16 1 1 A 19 19 HIS CA C 17 56.240 54.590 1.650 1
1 204 . 16 1 1 A 19 19 HIS CB C 17 29.896 29.766 0.130 1
1 207 . 16 1 1 A 19 19 HIS N N 17 120.269 121.938 -1.669 1
1 208 . 16 1 1 A 20 20 VAL H H 18 7.145 8.512 -1.367 1
1 209 . 16 1 1 A 20 20 VAL HA H 18 4.132 4.636 -0.504 1
1 217 . 16 1 1 A 20 20 VAL C C 18 174.138 174.672 -0.534 1
1 218 . 16 1 1 A 20 20 VAL CA C 18 61.605 60.592 1.013 1
1 219 . 16 1 1 A 20 20 VAL CB C 18 34.102 35.378 -1.276 1
1 221 . 16 1 1 A 20 20 VAL N N 18 120.100 127.507 -7.407 1
1 222 . 16 1 1 A 21 21 ALA H H 19 8.554 8.306 0.248 1
1 223 . 16 1 1 A 21 21 ALA HA H 19 4.353 4.359 -0.006 1
1 227 . 16 1 1 A 21 21 ALA C C 19 177.514 177.524 -0.010 1
1 228 . 16 1 1 A 21 21 ALA CA C 19 50.666 50.249 0.417 1
1 229 . 16 1 1 A 21 21 ALA CB C 19 19.648 20.736 -1.088 1
1 230 . 16 1 1 A 21 21 ALA N N 19 131.180 129.066 2.114 1
1 231 . 16 1 1 A 22 22 ARG H H 20 7.813 8.005 -0.192 1
1 232 . 16 1 1 A 22 22 ARG HA H 20 2.621 2.852 -0.231 1
1 239 . 16 1 1 A 22 22 ARG C C 20 178.531 177.177 1.354 1
1 240 . 16 1 1 A 22 22 ARG CA C 20 59.155 58.672 0.483 1
1 241 . 16 1 1 A 22 22 ARG CB C 20 29.167 29.388 -0.221 1
1 244 . 16 1 1 A 22 22 ARG N N 20 124.436 123.115 1.321 1
1 245 . 16 1 1 A 23 23 ALA H H 21 8.191 7.510 0.681 1
1 246 . 16 1 1 A 23 23 ALA HA H 21 4.023 4.111 -0.088 1
1 250 . 16 1 1 A 23 23 ALA C C 21 177.743 177.687 0.056 1
1 251 . 16 1 1 A 23 23 ALA CA C 21 53.809 53.089 0.720 1
1 252 . 16 1 1 A 23 23 ALA CB C 21 18.712 18.935 -0.223 1
1 253 . 16 1 1 A 23 23 ALA N N 21 117.354 119.847 -2.493 1
1 254 . 16 1 1 A 24 24 ASN H H 22 7.738 7.766 -0.028 1
1 255 . 16 1 1 A 24 24 ASN HA H 22 4.928 4.788 0.140 1
1 260 . 16 1 1 A 24 24 ASN C C 22 174.889 175.319 -0.430 1
1 261 . 16 1 1 A 24 24 ASN CA C 22 52.590 52.524 0.066 1
1 262 . 16 1 1 A 24 24 ASN CB C 22 40.335 38.710 1.625 1
1 263 . 16 1 1 A 24 24 ASN N N 22 112.797 115.221 -2.424 1
1 265 . 16 1 1 A 25 25 VAL H H 23 7.438 7.175 0.263 1
1 266 . 16 1 1 A 25 25 VAL HA H 23 4.349 4.317 0.032 1
1 274 . 16 1 1 A 25 25 VAL C C 23 174.594 175.904 -1.310 1
1 275 . 16 1 1 A 25 25 VAL CA C 23 62.406 62.406 0.000 1
1 276 . 16 1 1 A 25 25 VAL CB C 23 33.445 32.072 1.373 1
1 278 . 16 1 1 A 25 25 VAL N N 23 118.653 120.043 -1.390 1
1 279 . 16 1 1 A 26 26 LYS H H 24 9.262 9.674 -0.412 1
1 280 . 16 1 1 A 26 26 LYS HA H 24 4.394 4.300 0.094 1
1 289 . 16 1 1 A 26 26 LYS C C 24 175.247 175.786 -0.539 1
1 290 . 16 1 1 A 26 26 LYS CA C 24 56.483 57.813 -1.330 1
1 291 . 16 1 1 A 26 26 LYS CB C 24 35.022 33.883 1.139 1
1 295 . 16 1 1 A 26 26 LYS N N 24 125.308 129.451 -4.143 1
1 296 . 16 1 1 A 27 27 HIS H H 25 7.749 7.710 0.039 1
1 297 . 16 1 1 A 27 27 HIS HA H 25 4.625 4.966 -0.341 1
1 302 . 16 1 1 A 27 27 HIS C C 25 173.157 172.692 0.465 1
1 303 . 16 1 1 A 27 27 HIS CA C 25 55.916 55.025 0.891 1
1 304 . 16 1 1 A 27 27 HIS CB C 25 32.808 33.210 -0.402 1
1 307 . 16 1 1 A 27 27 HIS N N 25 115.509 117.178 -1.669 1
1 308 . 16 1 1 A 28 28 LEU H H 26 8.117 8.888 -0.771 1
1 309 . 16 1 1 A 28 28 LEU HA H 26 4.990 4.740 0.250 1
1 319 . 16 1 1 A 28 28 LEU C C 26 175.514 174.917 0.597 1
1 320 . 16 1 1 A 28 28 LEU CA C 26 54.662 53.112 1.550 1
1 321 . 16 1 1 A 28 28 LEU CB C 26 45.594 43.112 2.482 1
1 325 . 16 1 1 A 29 29 LYS H H 27 9.028 9.627 -0.599 1
1 326 . 16 1 1 A 29 29 LYS HA H 27 4.585 5.088 -0.503 1
1 335 . 16 1 1 A 29 29 LYS C C 27 173.758 174.994 -1.236 1
1 336 . 16 1 1 A 29 29 LYS CA C 27 54.945 54.636 0.309 1
1 337 . 16 1 1 A 29 29 LYS CB C 27 36.358 35.766 0.592 1
1 341 . 16 1 1 A 29 29 LYS N N 27 122.904 126.842 -3.938 1
1 342 . 16 1 1 A 30 30 ILE H H 28 8.540 9.074 -0.534 1
1 343 . 16 1 1 A 30 30 ILE HA H 28 4.626 4.707 -0.081 1
1 353 . 16 1 1 A 30 30 ILE C C 28 175.988 174.084 1.904 1
1 354 . 16 1 1 A 30 30 ILE CA C 28 60.122 60.151 -0.029 1
1 355 . 16 1 1 A 30 30 ILE CB C 28 38.795 39.148 -0.353 1
1 359 . 16 1 1 A 30 30 ILE N N 28 123.517 127.003 -3.486 1
1 360 . 16 1 1 A 31 31 LEU H H 29 8.961 9.183 -0.222 1
1 361 . 16 1 1 A 31 31 LEU HA H 29 4.564 5.030 -0.466 1
1 371 . 16 1 1 A 31 31 LEU C C 29 176.005 175.549 0.456 1
1 372 . 16 1 1 A 31 31 LEU CA C 29 53.975 53.709 0.266 1
1 373 . 16 1 1 A 31 31 LEU CB C 29 43.485 44.617 -1.132 1
1 376 . 16 1 1 A 31 31 LEU N N 29 128.881 129.924 -1.043 1
1 377 . 16 1 1 A 32 32 ASN H H 30 8.763 9.253 -0.490 1
1 378 . 16 1 1 A 32 32 ASN HA H 30 4.991 5.744 -0.753 1
1 383 . 16 1 1 A 32 32 ASN C C 30 174.462 173.967 0.495 1
1 384 . 16 1 1 A 32 32 ASN CA C 30 52.413 51.550 0.863 1
1 385 . 16 1 1 A 32 32 ASN CB C 30 39.238 41.855 -2.617 1
1 386 . 16 1 1 A 32 32 ASN N N 30 124.019 123.917 0.102 1
1 388 . 16 1 1 A 33 33 THR H H 31 8.170 8.589 -0.419 1
1 389 . 16 1 1 A 33 33 THR HA H 31 4.628 4.963 -0.335 1
1 394 . 16 1 1 A 33 33 THR CA C 31 59.475 58.248 1.227 1
1 395 . 16 1 1 A 33 33 THR CB C 31 70.435 70.722 -0.287 1
1 397 . 16 1 1 A 33 33 THR N N 31 119.276 110.662 8.614 1
1 398 . 16 1 1 A 34 34 PRO HA H 32 4.223 4.360 -0.137 1
1 405 . 16 1 1 A 34 34 PRO C C 32 176.814 177.494 -0.680 1
1 406 . 16 1 1 A 34 34 PRO CA C 32 64.445 65.749 -1.304 1
1 407 . 16 1 1 A 34 34 PRO CB C 32 32.161 31.748 0.413 1
1 410 . 16 1 1 A 35 35 ASN H H 33 8.574 8.637 -0.063 1
1 411 . 16 1 1 A 35 35 ASN HA H 33 4.320 4.668 -0.348 1
1 416 . 16 1 1 A 35 35 ASN C C 33 174.344 174.202 0.142 1
1 417 . 16 1 1 A 35 35 ASN CA C 33 54.945 52.823 2.122 1
1 418 . 16 1 1 A 35 35 ASN CB C 33 38.122 38.178 -0.056 1
1 419 . 16 1 1 A 35 35 ASN N N 33 113.042 112.931 0.111 1
1 421 . 16 1 1 A 36 36 CYS H H 34 7.554 7.661 -0.107 1
1 422 . 16 1 1 A 36 36 CYS HA H 34 4.891 4.931 -0.040 1
1 425 . 16 1 1 A 36 36 CYS C C 34 173.880 173.570 0.310 1
1 426 . 16 1 1 A 36 36 CYS CA C 34 54.622 55.011 -0.389 1
1 427 . 16 1 1 A 36 36 CYS CB C 34 44.780 46.024 -1.244 1
1 428 . 16 1 1 A 36 36 CYS N N 34 116.301 117.215 -0.914 1
1 429 . 16 1 1 A 37 37 ALA H H 35 8.418 8.563 -0.145 1
1 430 . 16 1 1 A 37 37 ALA HA H 35 4.237 4.377 -0.140 1
1 434 . 16 1 1 A 37 37 ALA C C 35 176.677 177.482 -0.805 1
1 435 . 16 1 1 A 37 37 ALA CA C 35 52.413 51.959 0.454 1
1 436 . 16 1 1 A 37 37 ALA CB C 35 18.992 20.516 -1.524 1
1 437 . 16 1 1 A 37 37 ALA N N 35 125.001 125.568 -0.567 1
1 438 . 16 1 1 A 38 38 LEU H H 36 8.060 8.507 -0.447 1
1 439 . 16 1 1 A 38 38 LEU HA H 36 4.203 4.278 -0.075 1
1 449 . 16 1 1 A 38 38 LEU C C 36 176.194 176.174 0.020 1
1 450 . 16 1 1 A 38 38 LEU CA C 36 56.563 55.218 1.345 1
1 451 . 16 1 1 A 38 38 LEU CB C 36 42.488 42.392 0.096 1
1 455 . 16 1 1 A 38 38 LEU N N 36 121.548 120.068 1.480 1
1 456 . 16 1 1 A 39 39 GLN H H 37 8.434 8.869 -0.435 1
1 457 . 16 1 1 A 39 39 GLN HA H 37 4.623 5.004 -0.381 1
1 464 . 16 1 1 A 39 39 GLN C C 37 173.581 174.777 -1.196 1
1 465 . 16 1 1 A 39 39 GLN CA C 37 54.109 54.597 -0.488 1
1 466 . 16 1 1 A 39 39 GLN CB C 37 32.286 30.492 1.794 1
1 468 . 16 1 1 A 39 39 GLN N N 37 123.271 122.821 0.450 1
1 470 . 16 1 1 A 40 40 ILE H H 38 9.408 8.904 0.504 1
1 471 . 16 1 1 A 40 40 ILE HA H 38 4.735 4.997 -0.262 1
1 481 . 16 1 1 A 40 40 ILE C C 38 174.547 175.530 -0.983 1
1 482 . 16 1 1 A 40 40 ILE CA C 38 60.122 60.512 -0.390 1
1 483 . 16 1 1 A 40 40 ILE CB C 38 38.899 39.728 -0.829 1
1 487 . 16 1 1 A 40 40 ILE N N 38 124.702 125.762 -1.060 1
1 488 . 16 1 1 A 41 41 VAL H H 39 8.826 9.491 -0.665 1
1 489 . 16 1 1 A 41 41 VAL HA H 39 5.041 4.970 0.071 1
1 497 . 16 1 1 A 41 41 VAL C C 39 174.772 174.978 -0.206 1
1 498 . 16 1 1 A 41 41 VAL CA C 39 60.111 61.219 -1.108 1
1 499 . 16 1 1 A 41 41 VAL CB C 39 34.767 34.090 0.677 1
1 501 . 16 1 1 A 41 41 VAL N N 39 124.047 127.761 -3.714 1
1 502 . 16 1 1 A 42 42 ALA H H 40 9.299 9.570 -0.271 1
1 503 . 16 1 1 A 42 42 ALA HA H 40 5.276 5.966 -0.690 1
1 507 . 16 1 1 A 42 42 ALA C C 40 175.955 174.742 1.213 1
1 508 . 16 1 1 A 42 42 ALA CA C 40 50.093 50.345 -0.252 1
1 509 . 16 1 1 A 42 42 ALA CB C 40 23.800 23.637 0.163 1
1 510 . 16 1 1 A 42 42 ALA N N 40 126.567 128.966 -2.399 1
1 511 . 16 1 1 A 43 43 ARG H H 41 8.398 8.653 -0.255 1
1 512 . 16 1 1 A 43 43 ARG HA H 41 5.131 5.308 -0.177 1
1 519 . 16 1 1 A 43 43 ARG C C 41 176.184 175.272 0.912 1
1 520 . 16 1 1 A 43 43 ARG CA C 41 53.900 54.688 -0.788 1
1 521 . 16 1 1 A 43 43 ARG CB C 41 32.161 33.019 -0.858 1
1 524 . 16 1 1 A 43 43 ARG N N 41 118.991 121.638 -2.647 1
1 525 . 16 1 1 A 44 44 LEU H H 42 8.988 9.328 -0.340 1
1 526 . 16 1 1 A 44 44 LEU HA H 42 4.925 4.771 0.154 1
1 536 . 16 1 1 A 44 44 LEU C C 42 178.369 176.669 1.700 1
1 537 . 16 1 1 A 44 44 LEU CA C 42 54.329 54.852 -0.523 1
1 538 . 16 1 1 A 44 44 LEU CB C 42 41.497 42.342 -0.845 1
1 542 . 16 1 1 A 44 44 LEU N N 42 125.637 127.599 -1.962 1
1 543 . 16 1 1 A 45 45 LYS H H 43 8.470 9.370 -0.900 1
1 544 . 16 1 1 A 45 45 LYS HA H 43 3.823 3.999 -0.176 1
1 553 . 16 1 1 A 45 45 LYS CA C 43 59.340 59.300 0.040 1
1 554 . 16 1 1 A 45 45 LYS CB C 43 33.445 32.599 0.846 1
1 558 . 16 1 1 A 45 45 LYS N N 43 120.489 122.318 -1.829 1
1 559 . 16 1 1 A 46 46 ASN HA H 44 4.421 4.578 -0.157 1
1 564 . 16 1 1 A 46 46 ASN C C 44 175.970 176.783 -0.813 1
1 565 . 16 1 1 A 46 46 ASN CA C 44 55.457 55.475 -0.018 1
1 566 . 16 1 1 A 46 46 ASN CB C 44 37.507 39.053 -1.546 1
1 568 . 16 1 1 A 47 47 ASN H H 45 7.483 8.030 -0.547 1
1 569 . 16 1 1 A 47 47 ASN HA H 45 4.706 4.798 -0.092 1
1 574 . 16 1 1 A 47 47 ASN C C 45 175.461 175.515 -0.054 1
1 575 . 16 1 1 A 47 47 ASN CA C 45 52.769 52.945 -0.176 1
1 576 . 16 1 1 A 47 47 ASN CB C 45 39.194 39.187 0.007 1
1 577 . 16 1 1 A 47 47 ASN N N 45 115.277 114.510 0.767 1
1 579 . 16 1 1 A 48 48 ASN H H 46 7.995 8.236 -0.241 1
1 580 . 16 1 1 A 48 48 ASN HA H 46 4.661 4.851 -0.190 1
1 585 . 16 1 1 A 48 48 ASN C C 46 174.812 174.784 0.028 1
1 586 . 16 1 1 A 48 48 ASN CA C 46 54.298 54.627 -0.329 1
1 587 . 16 1 1 A 48 48 ASN CB C 46 39.103 38.184 0.919 1
1 588 . 16 1 1 A 48 48 ASN N N 46 116.416 117.066 -0.650 1
1 590 . 16 1 1 A 49 49 ARG H H 47 7.940 7.896 0.044 1
1 591 . 16 1 1 A 49 49 ARG HA H 47 4.205 4.498 -0.293 1
1 598 . 16 1 1 A 49 49 ARG C C 47 175.719 174.953 0.766 1
1 599 . 16 1 1 A 49 49 ARG CA C 47 57.084 55.879 1.205 1
1 600 . 16 1 1 A 49 49 ARG CB C 47 31.792 31.018 0.774 1
1 603 . 16 1 1 A 49 49 ARG N N 47 120.017 119.657 0.360 1
1 604 . 16 1 1 A 50 50 GLN H H 48 8.641 8.558 0.083 1
1 605 . 16 1 1 A 50 50 GLN HA H 48 5.240 5.275 -0.035 1
1 612 . 16 1 1 A 50 50 GLN C C 48 175.697 175.049 0.648 1
1 613 . 16 1 1 A 50 50 GLN CA C 48 55.454 54.587 0.867 1
1 614 . 16 1 1 A 50 50 GLN CB C 48 30.959 30.119 0.840 1
1 616 . 16 1 1 A 50 50 GLN N N 48 123.029 123.453 -0.424 1
1 618 . 16 1 1 A 51 51 VAL H H 49 9.018 9.226 -0.208 1
1 619 . 16 1 1 A 51 51 VAL HA H 49 4.745 4.655 0.090 1
1 627 . 16 1 1 A 51 51 VAL C C 49 174.561 174.577 -0.016 1
1 628 . 16 1 1 A 51 51 VAL CA C 49 59.266 59.789 -0.523 1
1 629 . 16 1 1 A 51 51 VAL CB C 49 35.845 35.485 0.360 1
1 632 . 16 1 1 A 51 51 VAL N N 49 119.358 125.508 -6.150 1
1 633 . 16 1 1 A 52 52 CYS H H 50 8.895 8.365 0.530 1
1 634 . 16 1 1 A 52 52 CYS HA H 50 5.636 5.121 0.515 1
1 637 . 16 1 1 A 52 52 CYS C C 50 174.469 174.014 0.455 1
1 638 . 16 1 1 A 52 52 CYS CA C 50 56.377 56.197 0.180 1
1 639 . 16 1 1 A 52 52 CYS CB C 50 44.680 42.220 2.460 1
1 640 . 16 1 1 A 52 52 CYS N N 50 120.834 122.178 -1.344 1
1 641 . 16 1 1 A 53 53 ILE H H 51 8.615 9.434 -0.819 1
1 642 . 16 1 1 A 53 53 ILE HA H 51 4.512 4.589 -0.077 1
1 652 . 16 1 1 A 53 53 ILE C C 51 174.137 174.691 -0.554 1
1 653 . 16 1 1 A 53 53 ILE CA C 51 59.397 60.094 -0.697 1
1 654 . 16 1 1 A 53 53 ILE CB C 51 39.603 39.608 -0.005 1
1 658 . 16 1 1 A 53 53 ILE N N 51 122.392 124.981 -2.589 1
1 659 . 16 1 1 A 54 54 ASP H H 52 7.766 8.253 -0.487 1
1 660 . 16 1 1 A 54 54 ASP HA H 52 3.572 3.588 -0.016 1
1 663 . 16 1 1 A 54 54 ASP CA C 52 51.578 51.247 0.331 1
1 664 . 16 1 1 A 54 54 ASP CB C 52 42.381 41.688 0.693 1
1 665 . 16 1 1 A 54 54 ASP N N 52 126.398 125.640 0.758 1
1 666 . 16 1 1 A 55 55 PRO HA H 53 4.011 4.185 -0.174 1
1 673 . 16 1 1 A 55 55 PRO C C 53 176.274 177.635 -1.361 1
1 674 . 16 1 1 A 55 55 PRO CA C 53 63.546 64.056 -0.510 1
1 675 . 16 1 1 A 55 55 PRO CB C 53 32.270 31.690 0.580 1
1 678 . 16 1 1 A 56 56 LYS H H 54 8.053 7.964 0.089 1
1 679 . 16 1 1 A 56 56 LYS HA H 54 3.982 4.186 -0.204 1
1 688 . 16 1 1 A 56 56 LYS C C 54 177.867 176.752 1.115 1
1 689 . 16 1 1 A 56 56 LYS CA C 54 56.189 57.055 -0.866 1
1 690 . 16 1 1 A 56 56 LYS CB C 54 31.649 32.491 -0.842 1
1 694 . 16 1 1 A 56 56 LYS N N 54 115.161 116.268 -1.107 1
1 695 . 16 1 1 A 57 57 LEU H H 55 7.145 7.082 0.063 1
1 696 . 16 1 1 A 57 57 LEU HA H 55 4.027 4.163 -0.136 1
1 706 . 16 1 1 A 57 57 LEU C C 55 179.221 177.540 1.681 1
1 707 . 16 1 1 A 57 57 LEU CA C 55 14.371 55.340 -40.969 1
1 708 . 16 1 1 A 57 57 LEU CB C 55 41.739 41.753 -0.014 1
1 712 . 16 1 1 A 57 57 LEU N N 55 120.921 121.050 -0.129 1
1 713 . 16 1 1 A 58 58 LYS H H 56 8.798 8.812 -0.014 1
1 714 . 16 1 1 A 58 58 LYS HA H 56 3.937 3.978 -0.041 1
1 723 . 16 1 1 A 58 58 LYS C C 56 179.161 178.386 0.775 1
1 724 . 16 1 1 A 58 58 LYS CA C 56 60.116 59.347 0.769 1
1 725 . 16 1 1 A 58 58 LYS CB C 56 32.100 32.238 -0.138 1
1 729 . 16 1 1 A 58 58 LYS N N 56 125.449 124.623 0.826 1
1 730 . 16 1 1 A 59 59 TRP H H 57 7.821 8.278 -0.457 1
1 731 . 16 1 1 A 59 59 TRP HA H 57 4.636 4.521 0.115 1
1 740 . 16 1 1 A 59 59 TRP C C 57 178.642 179.294 -0.652 1
1 741 . 16 1 1 A 59 59 TRP CA C 57 58.388 59.661 -1.273 1
1 742 . 16 1 1 A 59 59 TRP CB C 57 27.954 28.098 -0.144 1
1 748 . 16 1 1 A 59 59 TRP N N 57 113.650 119.375 -5.725 1
1 750 . 16 1 1 A 60 60 ILE H H 58 6.340 7.559 -1.219 1
1 751 . 16 1 1 A 60 60 ILE HA H 58 3.620 3.213 0.407 1
1 761 . 16 1 1 A 60 60 ILE C C 58 177.104 177.731 -0.627 1
1 762 . 16 1 1 A 60 60 ILE CA C 58 61.605 64.247 -2.642 1
1 763 . 16 1 1 A 60 60 ILE CB C 58 36.043 35.963 0.080 1
1 767 . 16 1 1 A 60 60 ILE N N 58 123.265 122.172 1.093 1
1 768 . 16 1 1 A 61 61 GLN H H 59 7.710 8.126 -0.416 1
1 769 . 16 1 1 A 61 61 GLN HA H 59 3.824 3.905 -0.081 1
1 776 . 16 1 1 A 61 61 GLN C C 59 178.933 178.914 0.019 1
1 777 . 16 1 1 A 61 61 GLN CA C 59 59.663 59.003 0.660 1
1 778 . 16 1 1 A 61 61 GLN CB C 59 27.972 28.384 -0.412 1
1 780 . 16 1 1 A 61 61 GLN N N 59 120.515 119.127 1.388 1
1 782 . 16 1 1 A 62 62 GLU H H 60 8.042 7.781 0.261 1
1 783 . 16 1 1 A 62 62 GLU HA H 60 4.093 4.082 0.011 1
1 788 . 16 1 1 A 62 62 GLU C C 60 178.539 178.553 -0.014 1
1 789 . 16 1 1 A 62 62 GLU CA C 60 59.152 59.504 -0.352 1
1 790 . 16 1 1 A 62 62 GLU CB C 60 29.896 29.590 0.306 1
1 792 . 16 1 1 A 62 62 GLU N N 60 117.976 119.934 -1.958 1
1 793 . 16 1 1 A 63 63 TYR H H 61 7.882 8.316 -0.434 1
1 794 . 16 1 1 A 63 63 TYR HA H 61 4.214 4.250 -0.036 1
1 801 . 16 1 1 A 63 63 TYR C C 61 178.157 177.315 0.842 1
1 802 . 16 1 1 A 63 63 TYR CA C 61 61.281 61.599 -0.318 1
1 803 . 16 1 1 A 63 63 TYR CB C 61 38.956 38.755 0.201 1
1 806 . 16 1 1 A 63 63 TYR N N 61 120.743 120.675 0.068 1
1 807 . 16 1 1 A 64 64 LEU H H 62 8.438 9.102 -0.664 1
1 808 . 16 1 1 A 64 64 LEU HA H 62 3.886 3.691 0.195 1
1 818 . 16 1 1 A 64 64 LEU C C 62 178.678 179.549 -0.871 1
1 819 . 16 1 1 A 64 64 LEU CA C 62 57.619 57.792 -0.173 1
1 820 . 16 1 1 A 64 64 LEU CB C 62 41.868 41.337 0.531 1
1 824 . 16 1 1 A 64 64 LEU N N 62 119.052 120.097 -1.045 1
1 825 . 16 1 1 A 65 65 GLU H H 63 7.884 9.502 -1.618 1
1 826 . 16 1 1 A 65 65 GLU HA H 63 3.998 4.118 -0.120 1
1 831 . 16 1 1 A 65 65 GLU C C 63 178.447 177.012 1.435 1
1 832 . 16 1 1 A 65 65 GLU CA C 63 59.143 58.212 0.931 1
1 833 . 16 1 1 A 65 65 GLU CB C 63 29.708 27.983 1.725 1
1 835 . 16 1 1 A 65 65 GLU N N 63 118.310 117.701 0.609 1
1 836 . 16 1 1 A 66 66 LYS H H 64 7.576 7.626 -0.050 1
1 837 . 16 1 1 A 66 66 LYS HA H 64 4.208 4.648 -0.440 1
1 846 . 16 1 1 A 66 66 LYS C C 64 177.941 177.369 0.572 1
1 847 . 16 1 1 A 66 66 LYS CA C 64 57.543 55.618 1.925 1
1 848 . 16 1 1 A 66 66 LYS CB C 64 32.620 33.020 -0.400 1
1 852 . 16 1 1 A 66 66 LYS N N 64 117.398 118.819 -1.421 1
1 853 . 16 1 1 A 67 67 ALA H H 65 7.934 7.440 0.494 1
1 854 . 16 1 1 A 67 67 ALA HA H 65 4.106 4.188 -0.082 1
1 858 . 16 1 1 A 67 67 ALA C C 65 178.624 179.654 -1.030 1
1 859 . 16 1 1 A 67 67 ALA CA C 65 53.790 53.582 0.208 1
1 860 . 16 1 1 A 67 67 ALA CB C 65 19.106 18.871 0.235 1
1 861 . 16 1 1 A 67 67 ALA N N 65 121.561 121.345 0.216 1
1 862 . 16 1 1 A 68 68 LEU H H 66 7.835 8.107 -0.272 1
1 863 . 16 1 1 A 68 68 LEU HA H 66 4.268 4.172 0.096 1
1 873 . 16 1 1 A 68 68 LEU CA C 66 55.593 57.635 -2.042 1
1 874 . 16 1 1 A 68 68 LEU CB C 66 42.191 42.304 -0.113 1
1 877 . 16 1 1 A 68 68 LEU N N 66 117.270 117.248 0.022 1
1 878 . 16 1 1 A 69 69 ASN H H 67 7.914 7.947 -0.033 1
1 879 . 16 1 1 A 69 69 ASN HA H 67 4.731 4.825 -0.094 1
1 884 . 16 1 1 A 69 69 ASN C C 67 174.039 175.039 -1.000 1
1 885 . 16 1 1 A 69 69 ASN CA C 67 53.328 52.591 0.737 1
1 886 . 16 1 1 A 69 69 ASN CB C 67 39.091 38.535 0.556 1
1 887 . 16 1 1 A 69 69 ASN N N 67 118.309 116.168 2.141 1
1 18 . 17 1 1 A 4 4 PRO HA H 2 4.447 4.666 -0.219 1
1 25 . 17 1 1 A 4 4 PRO C C 2 176.996 176.762 0.234 1
1 26 . 17 1 1 A 4 4 PRO CA C 2 63.494 62.874 0.620 1
1 27 . 17 1 1 A 4 4 PRO CB C 2 32.161 31.774 0.387 1
1 30 . 17 1 1 A 5 5 VAL H H 3 8.292 8.333 -0.041 1
1 31 . 17 1 1 A 5 5 VAL HA H 3 4.074 4.681 -0.607 1
1 39 . 17 1 1 A 5 5 VAL C C 3 176.376 174.740 1.636 1
1 40 . 17 1 1 A 5 5 VAL CA C 3 62.495 59.872 2.623 1
1 41 . 17 1 1 A 5 5 VAL CB C 3 32.808 33.320 -0.512 1
1 43 . 17 1 1 A 5 5 VAL N N 3 121.008 117.619 3.389 1
1 44 . 17 1 1 A 6 6 SER H H 4 8.313 8.877 -0.564 1
1 45 . 17 1 1 A 6 6 SER HA H 4 4.419 4.890 -0.471 1
1 48 . 17 1 1 A 6 6 SER C C 4 174.577 172.655 1.922 1
1 49 . 17 1 1 A 6 6 SER CA C 4 58.148 57.260 0.888 1
1 50 . 17 1 1 A 6 6 SER CB C 4 63.870 64.751 -0.881 1
1 51 . 17 1 1 A 6 6 SER N N 4 119.573 118.004 1.569 1
1 52 . 17 1 1 A 7 7 LEU H H 5 8.326 8.829 -0.503 1
1 53 . 17 1 1 A 7 7 LEU HA H 5 4.342 5.156 -0.814 1
1 63 . 17 1 1 A 7 7 LEU C C 5 177.341 175.126 2.215 1
1 64 . 17 1 1 A 7 7 LEU CA C 5 55.388 53.085 2.303 1
1 65 . 17 1 1 A 7 7 LEU CB C 5 42.650 44.184 -1.534 1
1 68 . 17 1 1 A 7 7 LEU N N 5 125.039 124.963 0.076 1
1 69 . 17 1 1 A 8 8 SER H H 6 8.157 8.931 -0.774 1
1 70 . 17 1 1 A 8 8 SER HA H 6 4.360 4.900 -0.540 1
1 73 . 17 1 1 A 8 8 SER C C 6 174.189 172.903 1.286 1
1 74 . 17 1 1 A 8 8 SER CA C 6 58.433 56.785 1.648 1
1 75 . 17 1 1 A 8 8 SER CB C 6 63.870 63.975 -0.105 1
1 76 . 17 1 1 A 8 8 SER N N 6 116.154 120.057 -3.903 1
1 77 . 17 1 1 A 9 9 TYR H H 7 8.017 9.044 -1.027 1
1 78 . 17 1 1 A 9 9 TYR HA H 7 4.512 4.654 -0.142 1
1 85 . 17 1 1 A 9 9 TYR C C 7 175.520 174.356 1.164 1
1 86 . 17 1 1 A 9 9 TYR CA C 7 58.008 57.196 0.812 1
1 87 . 17 1 1 A 9 9 TYR CB C 7 38.956 38.521 0.435 1
1 90 . 17 1 1 A 9 9 TYR N N 7 122.213 130.136 -7.923 1
1 91 . 17 1 1 A 10 10 ARG H H 8 8.152 8.459 -0.307 1
1 92 . 17 1 1 A 10 10 ARG HA H 8 4.260 4.347 -0.087 1
1 99 . 17 1 1 A 10 10 ARG C C 8 175.918 175.071 0.847 1
1 100 . 17 1 1 A 10 10 ARG CA C 8 56.104 54.733 1.371 1
1 101 . 17 1 1 A 10 10 ARG CB C 8 30.875 31.090 -0.215 1
1 104 . 17 1 1 A 10 10 ARG N N 8 122.182 126.804 -4.622 1
1 105 . 17 1 1 A 11 11 CYS H H 9 8.132 8.304 -0.172 1
1 106 . 17 1 1 A 11 11 CYS HA H 9 4.935 4.425 0.510 1
1 109 . 17 1 1 A 11 11 CYS C C 9 173.615 174.118 -0.503 1
1 110 . 17 1 1 A 11 11 CYS CA C 9 53.127 57.977 -4.850 1
1 111 . 17 1 1 A 11 11 CYS CB C 9 40.201 41.218 -1.017 1
1 112 . 17 1 1 A 11 11 CYS N N 9 121.280 124.517 -3.237 1
1 113 . 17 1 1 A 12 12 PRO HA H 10 4.290 4.348 -0.058 1
1 120 . 17 1 1 A 12 12 PRO C C 10 177.703 176.550 1.153 1
1 121 . 17 1 1 A 12 12 PRO CA C 10 64.835 64.553 0.282 1
1 122 . 17 1 1 A 12 12 PRO CB C 10 32.484 31.838 0.646 1
1 125 . 17 1 1 A 13 13 CYS H H 11 8.300 7.789 0.511 1
1 126 . 17 1 1 A 13 13 CYS HA H 11 4.891 4.888 0.003 1
1 129 . 17 1 1 A 13 13 CYS C C 11 174.202 171.699 2.503 1
1 130 . 17 1 1 A 13 13 CYS CA C 11 53.480 54.799 -1.319 1
1 131 . 17 1 1 A 13 13 CYS CB C 11 39.603 44.254 -4.651 1
1 132 . 17 1 1 A 13 13 CYS N N 11 114.161 116.476 -2.315 1
1 133 . 17 1 1 A 14 14 ARG HA H 12 3.963 4.244 -0.281 1
1 140 . 17 1 1 A 14 14 ARG C C 12 175.202 175.292 -0.090 1
1 141 . 17 1 1 A 14 14 ARG CA C 12 57.293 54.968 2.325 1
1 142 . 17 1 1 A 14 14 ARG CB C 12 31.099 31.473 -0.374 1
1 145 . 17 1 1 A 15 15 PHE H H 13 7.543 7.894 -0.351 1
1 146 . 17 1 1 A 15 15 PHE HA H 13 4.496 4.374 0.122 1
1 154 . 17 1 1 A 15 15 PHE C C 13 174.226 173.963 0.263 1
1 155 . 17 1 1 A 15 15 PHE CA C 13 55.971 58.774 -2.803 1
1 156 . 17 1 1 A 15 15 PHE CB C 13 41.032 37.815 3.217 1
1 160 . 17 1 1 A 15 15 PHE N N 13 116.175 122.171 -5.996 1
1 161 . 17 1 1 A 16 16 PHE H H 14 8.305 8.986 -0.681 1
1 162 . 17 1 1 A 16 16 PHE HA H 14 4.812 4.898 -0.086 1
1 170 . 17 1 1 A 16 16 PHE C C 14 175.247 176.381 -1.134 1
1 171 . 17 1 1 A 16 16 PHE CA C 14 55.559 57.098 -1.539 1
1 172 . 17 1 1 A 16 16 PHE CB C 14 41.220 41.319 -0.099 1
1 176 . 17 1 1 A 16 16 PHE N N 14 119.656 122.758 -3.102 1
1 177 . 17 1 1 A 17 17 GLU H H 15 8.879 9.281 -0.402 1
1 178 . 17 1 1 A 17 17 GLU HA H 15 4.536 4.033 0.503 1
1 183 . 17 1 1 A 17 17 GLU C C 15 176.747 176.652 0.095 1
1 184 . 17 1 1 A 17 17 GLU CA C 15 56.012 59.535 -3.523 1
1 185 . 17 1 1 A 17 17 GLU CB C 15 30.876 29.511 1.365 1
1 187 . 17 1 1 A 17 17 GLU N N 15 122.563 124.233 -1.670 1
1 188 . 17 1 1 A 18 18 SER H H 16 8.810 8.321 0.489 1
1 189 . 17 1 1 A 18 18 SER HA H 16 4.673 5.122 -0.449 1
1 192 . 17 1 1 A 18 18 SER C C 16 174.278 173.888 0.390 1
1 193 . 17 1 1 A 18 18 SER CA C 16 59.799 59.630 0.169 1
1 194 . 17 1 1 A 18 18 SER CB C 16 63.999 61.170 2.829 1
1 195 . 17 1 1 A 18 18 SER N N 16 119.679 115.251 4.428 1
1 196 . 17 1 1 A 19 19 HIS H H 17 8.712 7.876 0.836 1
1 197 . 17 1 1 A 19 19 HIS HA H 17 4.777 4.845 -0.068 1
1 202 . 17 1 1 A 19 19 HIS C C 17 174.580 174.434 0.146 1
1 203 . 17 1 1 A 19 19 HIS CA C 17 56.240 54.885 1.355 1
1 204 . 17 1 1 A 19 19 HIS CB C 17 29.896 30.802 -0.906 1
1 207 . 17 1 1 A 19 19 HIS N N 17 120.269 120.359 -0.090 1
1 208 . 17 1 1 A 20 20 VAL H H 18 7.145 7.628 -0.483 1
1 209 . 17 1 1 A 20 20 VAL HA H 18 4.132 4.196 -0.064 1
1 217 . 17 1 1 A 20 20 VAL C C 18 174.138 175.125 -0.987 1
1 218 . 17 1 1 A 20 20 VAL CA C 18 61.605 61.762 -0.157 1
1 219 . 17 1 1 A 20 20 VAL CB C 18 34.102 32.776 1.326 1
1 221 . 17 1 1 A 20 20 VAL N N 18 120.100 120.551 -0.451 1
1 222 . 17 1 1 A 21 21 ALA H H 19 8.554 8.447 0.107 1
1 223 . 17 1 1 A 21 21 ALA HA H 19 4.353 4.417 -0.064 1
1 227 . 17 1 1 A 21 21 ALA C C 19 177.514 177.547 -0.033 1
1 228 . 17 1 1 A 21 21 ALA CA C 19 50.666 50.480 0.186 1
1 229 . 17 1 1 A 21 21 ALA CB C 19 19.648 20.516 -0.868 1
1 230 . 17 1 1 A 21 21 ALA N N 19 131.180 130.761 0.419 1
1 231 . 17 1 1 A 22 22 ARG H H 20 7.813 7.860 -0.047 1
1 232 . 17 1 1 A 22 22 ARG HA H 20 2.621 3.030 -0.409 1
1 239 . 17 1 1 A 22 22 ARG C C 20 178.531 177.477 1.054 1
1 240 . 17 1 1 A 22 22 ARG CA C 20 59.155 58.505 0.650 1
1 241 . 17 1 1 A 22 22 ARG CB C 20 29.167 29.089 0.078 1
1 244 . 17 1 1 A 22 22 ARG N N 20 124.436 123.179 1.257 1
1 245 . 17 1 1 A 23 23 ALA H H 21 8.191 7.463 0.728 1
1 246 . 17 1 1 A 23 23 ALA HA H 21 4.023 3.969 0.054 1
1 250 . 17 1 1 A 23 23 ALA C C 21 177.743 178.788 -1.045 1
1 251 . 17 1 1 A 23 23 ALA CA C 21 53.809 54.181 -0.372 1
1 252 . 17 1 1 A 23 23 ALA CB C 21 18.712 18.136 0.576 1
1 253 . 17 1 1 A 23 23 ALA N N 21 117.354 120.962 -3.608 1
1 254 . 17 1 1 A 24 24 ASN H H 22 7.738 7.850 -0.112 1
1 255 . 17 1 1 A 24 24 ASN HA H 22 4.928 4.770 0.158 1
1 260 . 17 1 1 A 24 24 ASN C C 22 174.889 175.267 -0.378 1
1 261 . 17 1 1 A 24 24 ASN CA C 22 52.590 52.679 -0.089 1
1 262 . 17 1 1 A 24 24 ASN CB C 22 40.335 38.676 1.659 1
1 263 . 17 1 1 A 24 24 ASN N N 22 112.797 115.289 -2.492 1
1 265 . 17 1 1 A 25 25 VAL H H 23 7.438 7.509 -0.071 1
1 266 . 17 1 1 A 25 25 VAL HA H 23 4.349 4.329 0.020 1
1 274 . 17 1 1 A 25 25 VAL C C 23 174.594 175.892 -1.298 1
1 275 . 17 1 1 A 25 25 VAL CA C 23 62.406 62.399 0.007 1
1 276 . 17 1 1 A 25 25 VAL CB C 23 33.445 32.054 1.391 1
1 278 . 17 1 1 A 25 25 VAL N N 23 118.653 119.847 -1.194 1
1 279 . 17 1 1 A 26 26 LYS H H 24 9.262 9.828 -0.566 1
1 280 . 17 1 1 A 26 26 LYS HA H 24 4.394 4.280 0.114 1
1 289 . 17 1 1 A 26 26 LYS C C 24 175.247 175.721 -0.474 1
1 290 . 17 1 1 A 26 26 LYS CA C 24 56.483 57.878 -1.395 1
1 291 . 17 1 1 A 26 26 LYS CB C 24 35.022 33.881 1.141 1
1 295 . 17 1 1 A 26 26 LYS N N 24 125.308 129.862 -4.554 1
1 296 . 17 1 1 A 27 27 HIS H H 25 7.749 7.215 0.534 1
1 297 . 17 1 1 A 27 27 HIS HA H 25 4.625 4.978 -0.353 1
1 302 . 17 1 1 A 27 27 HIS C C 25 173.157 172.884 0.273 1
1 303 . 17 1 1 A 27 27 HIS CA C 25 55.916 55.735 0.181 1
1 304 . 17 1 1 A 27 27 HIS CB C 25 32.808 33.118 -0.310 1
1 307 . 17 1 1 A 27 27 HIS N N 25 115.509 116.947 -1.438 1
1 308 . 17 1 1 A 28 28 LEU H H 26 8.117 8.596 -0.479 1
1 309 . 17 1 1 A 28 28 LEU HA H 26 4.990 5.264 -0.274 1
1 319 . 17 1 1 A 28 28 LEU C C 26 175.514 175.305 0.209 1
1 320 . 17 1 1 A 28 28 LEU CA C 26 54.662 53.124 1.538 1
1 321 . 17 1 1 A 28 28 LEU CB C 26 45.594 45.822 -0.228 1
1 325 . 17 1 1 A 29 29 LYS H H 27 9.028 9.478 -0.450 1
1 326 . 17 1 1 A 29 29 LYS HA H 27 4.585 5.111 -0.526 1
1 335 . 17 1 1 A 29 29 LYS C C 27 173.758 174.387 -0.629 1
1 336 . 17 1 1 A 29 29 LYS CA C 27 54.945 54.916 0.029 1
1 337 . 17 1 1 A 29 29 LYS CB C 27 36.358 35.973 0.385 1
1 341 . 17 1 1 A 29 29 LYS N N 27 122.904 123.176 -0.272 1
1 342 . 17 1 1 A 30 30 ILE H H 28 8.540 8.928 -0.388 1
1 343 . 17 1 1 A 30 30 ILE HA H 28 4.626 4.976 -0.350 1
1 353 . 17 1 1 A 30 30 ILE C C 28 175.988 174.541 1.447 1
1 354 . 17 1 1 A 30 30 ILE CA C 28 60.122 58.305 1.817 1
1 355 . 17 1 1 A 30 30 ILE CB C 28 38.795 38.096 0.699 1
1 359 . 17 1 1 A 30 30 ILE N N 28 123.517 127.457 -3.940 1
1 360 . 17 1 1 A 31 31 LEU H H 29 8.961 9.244 -0.283 1
1 361 . 17 1 1 A 31 31 LEU HA H 29 4.564 5.331 -0.767 1
1 371 . 17 1 1 A 31 31 LEU C C 29 176.005 175.401 0.604 1
1 372 . 17 1 1 A 31 31 LEU CA C 29 53.975 53.481 0.494 1
1 373 . 17 1 1 A 31 31 LEU CB C 29 43.485 46.165 -2.680 1
1 376 . 17 1 1 A 31 31 LEU N N 29 128.881 131.194 -2.313 1
1 377 . 17 1 1 A 32 32 ASN H H 30 8.763 8.965 -0.202 1
1 378 . 17 1 1 A 32 32 ASN HA H 30 4.991 5.643 -0.652 1
1 383 . 17 1 1 A 32 32 ASN C C 30 174.462 174.059 0.403 1
1 384 . 17 1 1 A 32 32 ASN CA C 30 52.413 51.692 0.721 1
1 385 . 17 1 1 A 32 32 ASN CB C 30 39.238 41.002 -1.764 1
1 386 . 17 1 1 A 32 32 ASN N N 30 124.019 122.749 1.270 1
1 388 . 17 1 1 A 33 33 THR H H 31 8.170 8.307 -0.137 1
1 389 . 17 1 1 A 33 33 THR HA H 31 4.628 4.855 -0.227 1
1 394 . 17 1 1 A 33 33 THR CA C 31 59.475 59.106 0.369 1
1 395 . 17 1 1 A 33 33 THR CB C 31 70.435 72.443 -2.008 1
1 397 . 17 1 1 A 33 33 THR N N 31 119.276 115.551 3.725 1
1 398 . 17 1 1 A 34 34 PRO HA H 32 4.223 4.302 -0.079 1
1 405 . 17 1 1 A 34 34 PRO C C 32 176.814 177.739 -0.925 1
1 406 . 17 1 1 A 34 34 PRO CA C 32 64.445 66.035 -1.590 1
1 407 . 17 1 1 A 34 34 PRO CB C 32 32.161 31.422 0.739 1
1 410 . 17 1 1 A 35 35 ASN H H 33 8.574 8.751 -0.177 1
1 411 . 17 1 1 A 35 35 ASN HA H 33 4.320 4.649 -0.329 1
1 416 . 17 1 1 A 35 35 ASN C C 33 174.344 175.982 -1.638 1
1 417 . 17 1 1 A 35 35 ASN CA C 33 54.945 53.037 1.908 1
1 418 . 17 1 1 A 35 35 ASN CB C 33 38.122 37.769 0.353 1
1 419 . 17 1 1 A 35 35 ASN N N 33 113.042 112.904 0.138 1
1 421 . 17 1 1 A 36 36 CYS H H 34 7.554 7.594 -0.040 1
1 422 . 17 1 1 A 36 36 CYS HA H 34 4.891 4.676 0.215 1
1 425 . 17 1 1 A 36 36 CYS C C 34 173.880 174.251 -0.371 1
1 426 . 17 1 1 A 36 36 CYS CA C 34 54.622 55.554 -0.932 1
1 427 . 17 1 1 A 36 36 CYS CB C 34 44.780 43.172 1.608 1
1 428 . 17 1 1 A 36 36 CYS N N 34 116.301 117.179 -0.878 1
1 429 . 17 1 1 A 37 37 ALA H H 35 8.418 7.518 0.900 1
1 430 . 17 1 1 A 37 37 ALA HA H 35 4.237 4.008 0.229 1
1 434 . 17 1 1 A 37 37 ALA C C 35 176.677 176.278 0.399 1
1 435 . 17 1 1 A 37 37 ALA CA C 35 52.413 54.269 -1.856 1
1 436 . 17 1 1 A 37 37 ALA CB C 35 18.992 17.817 1.175 1
1 437 . 17 1 1 A 37 37 ALA N N 35 125.001 122.810 2.191 1
1 438 . 17 1 1 A 38 38 LEU H H 36 8.060 8.565 -0.505 1
1 439 . 17 1 1 A 38 38 LEU HA H 36 4.203 4.267 -0.064 1
1 449 . 17 1 1 A 38 38 LEU C C 36 176.194 176.481 -0.287 1
1 450 . 17 1 1 A 38 38 LEU CA C 36 56.563 55.367 1.196 1
1 451 . 17 1 1 A 38 38 LEU CB C 36 42.488 42.298 0.190 1
1 455 . 17 1 1 A 38 38 LEU N N 36 121.548 119.904 1.644 1
1 456 . 17 1 1 A 39 39 GLN H H 37 8.434 9.020 -0.586 1
1 457 . 17 1 1 A 39 39 GLN HA H 37 4.623 4.927 -0.304 1
1 464 . 17 1 1 A 39 39 GLN C C 37 173.581 174.172 -0.591 1
1 465 . 17 1 1 A 39 39 GLN CA C 37 54.109 54.737 -0.628 1
1 466 . 17 1 1 A 39 39 GLN CB C 37 32.286 29.789 2.497 1
1 468 . 17 1 1 A 39 39 GLN N N 37 123.271 123.453 -0.182 1
1 470 . 17 1 1 A 40 40 ILE H H 38 9.408 8.254 1.154 1
1 471 . 17 1 1 A 40 40 ILE HA H 38 4.735 4.961 -0.226 1
1 481 . 17 1 1 A 40 40 ILE C C 38 174.547 175.665 -1.118 1
1 482 . 17 1 1 A 40 40 ILE CA C 38 60.122 60.433 -0.311 1
1 483 . 17 1 1 A 40 40 ILE CB C 38 38.899 39.639 -0.740 1
1 487 . 17 1 1 A 40 40 ILE N N 38 124.702 126.302 -1.600 1
1 488 . 17 1 1 A 41 41 VAL H H 39 8.826 9.258 -0.432 1
1 489 . 17 1 1 A 41 41 VAL HA H 39 5.041 5.026 0.015 1
1 497 . 17 1 1 A 41 41 VAL C C 39 174.772 174.821 -0.049 1
1 498 . 17 1 1 A 41 41 VAL CA C 39 60.111 61.021 -0.910 1
1 499 . 17 1 1 A 41 41 VAL CB C 39 34.767 34.479 0.288 1
1 501 . 17 1 1 A 41 41 VAL N N 39 124.047 127.800 -3.753 1
1 502 . 17 1 1 A 42 42 ALA H H 40 9.299 9.445 -0.146 1
1 503 . 17 1 1 A 42 42 ALA HA H 40 5.276 5.799 -0.523 1
1 507 . 17 1 1 A 42 42 ALA C C 40 175.955 174.973 0.982 1
1 508 . 17 1 1 A 42 42 ALA CA C 40 50.093 50.486 -0.393 1
1 509 . 17 1 1 A 42 42 ALA CB C 40 23.800 24.196 -0.396 1
1 510 . 17 1 1 A 42 42 ALA N N 40 126.567 128.467 -1.900 1
1 511 . 17 1 1 A 43 43 ARG H H 41 8.398 9.021 -0.623 1
1 512 . 17 1 1 A 43 43 ARG HA H 41 5.131 5.174 -0.043 1
1 519 . 17 1 1 A 43 43 ARG C C 41 176.184 175.337 0.847 1
1 520 . 17 1 1 A 43 43 ARG CA C 41 53.900 54.529 -0.629 1
1 521 . 17 1 1 A 43 43 ARG CB C 41 32.161 33.696 -1.535 1
1 524 . 17 1 1 A 43 43 ARG N N 41 118.991 121.133 -2.142 1
1 525 . 17 1 1 A 44 44 LEU H H 42 8.988 9.327 -0.339 1
1 526 . 17 1 1 A 44 44 LEU HA H 42 4.925 4.953 -0.028 1
1 536 . 17 1 1 A 44 44 LEU C C 42 178.369 177.032 1.337 1
1 537 . 17 1 1 A 44 44 LEU CA C 42 54.329 54.288 0.041 1
1 538 . 17 1 1 A 44 44 LEU CB C 42 41.497 42.507 -1.010 1
1 542 . 17 1 1 A 44 44 LEU N N 42 125.637 127.761 -2.124 1
1 543 . 17 1 1 A 45 45 LYS H H 43 8.470 9.482 -1.012 1
1 544 . 17 1 1 A 45 45 LYS HA H 43 3.823 4.200 -0.377 1
1 553 . 17 1 1 A 45 45 LYS CA C 43 59.340 58.412 0.928 1
1 554 . 17 1 1 A 45 45 LYS CB C 43 33.445 32.925 0.520 1
1 558 . 17 1 1 A 45 45 LYS N N 43 120.489 122.909 -2.420 1
1 559 . 17 1 1 A 46 46 ASN HA H 44 4.421 4.565 -0.144 1
1 564 . 17 1 1 A 46 46 ASN C C 44 175.970 177.312 -1.342 1
1 565 . 17 1 1 A 46 46 ASN CA C 44 55.457 55.525 -0.068 1
1 566 . 17 1 1 A 46 46 ASN CB C 44 37.507 38.898 -1.391 1
1 568 . 17 1 1 A 47 47 ASN H H 45 7.483 7.967 -0.484 1
1 569 . 17 1 1 A 47 47 ASN HA H 45 4.706 4.683 0.023 1
1 574 . 17 1 1 A 47 47 ASN C C 45 175.461 175.339 0.122 1
1 575 . 17 1 1 A 47 47 ASN CA C 45 52.769 52.242 0.527 1
1 576 . 17 1 1 A 47 47 ASN CB C 45 39.194 38.079 1.115 1
1 577 . 17 1 1 A 47 47 ASN N N 45 115.277 113.259 2.018 1
1 579 . 17 1 1 A 48 48 ASN H H 46 7.995 8.038 -0.043 1
1 580 . 17 1 1 A 48 48 ASN HA H 46 4.661 5.175 -0.514 1
1 585 . 17 1 1 A 48 48 ASN C C 46 174.812 173.676 1.136 1
1 586 . 17 1 1 A 48 48 ASN CA C 46 54.298 54.414 -0.116 1
1 587 . 17 1 1 A 48 48 ASN CB C 46 39.103 37.034 2.069 1
1 588 . 17 1 1 A 48 48 ASN N N 46 116.416 113.938 2.478 1
1 590 . 17 1 1 A 49 49 ARG H H 47 7.940 7.991 -0.051 1
1 591 . 17 1 1 A 49 49 ARG HA H 47 4.205 4.680 -0.475 1
1 598 . 17 1 1 A 49 49 ARG C C 47 175.719 175.067 0.652 1
1 599 . 17 1 1 A 49 49 ARG CA C 47 57.084 55.553 1.531 1
1 600 . 17 1 1 A 49 49 ARG CB C 47 31.792 31.727 0.065 1
1 603 . 17 1 1 A 49 49 ARG N N 47 120.017 116.674 3.343 1
1 604 . 17 1 1 A 50 50 GLN H H 48 8.641 8.630 0.011 1
1 605 . 17 1 1 A 50 50 GLN HA H 48 5.240 4.768 0.472 1
1 612 . 17 1 1 A 50 50 GLN C C 48 175.697 174.992 0.705 1
1 613 . 17 1 1 A 50 50 GLN CA C 48 55.454 55.707 -0.253 1
1 614 . 17 1 1 A 50 50 GLN CB C 48 30.959 29.768 1.191 1
1 616 . 17 1 1 A 50 50 GLN N N 48 123.029 122.555 0.474 1
1 618 . 17 1 1 A 51 51 VAL H H 49 9.018 9.340 -0.322 1
1 619 . 17 1 1 A 51 51 VAL HA H 49 4.745 4.708 0.037 1
1 627 . 17 1 1 A 51 51 VAL C C 49 174.561 174.489 0.072 1
1 628 . 17 1 1 A 51 51 VAL CA C 49 59.266 59.903 -0.637 1
1 629 . 17 1 1 A 51 51 VAL CB C 49 35.845 35.309 0.536 1
1 632 . 17 1 1 A 51 51 VAL N N 49 119.358 125.910 -6.552 1
1 633 . 17 1 1 A 52 52 CYS H H 50 8.895 8.740 0.155 1
1 634 . 17 1 1 A 52 52 CYS HA H 50 5.636 5.410 0.226 1
1 637 . 17 1 1 A 52 52 CYS C C 50 174.469 172.783 1.686 1
1 638 . 17 1 1 A 52 52 CYS CA C 50 56.377 54.743 1.634 1
1 639 . 17 1 1 A 52 52 CYS CB C 50 44.680 43.860 0.820 1
1 640 . 17 1 1 A 52 52 CYS N N 50 120.834 122.470 -1.636 1
1 641 . 17 1 1 A 53 53 ILE H H 51 8.615 9.738 -1.123 1
1 642 . 17 1 1 A 53 53 ILE HA H 51 4.512 4.562 -0.050 1
1 652 . 17 1 1 A 53 53 ILE C C 51 174.137 174.558 -0.421 1
1 653 . 17 1 1 A 53 53 ILE CA C 51 59.397 60.153 -0.756 1
1 654 . 17 1 1 A 53 53 ILE CB C 51 39.603 40.168 -0.565 1
1 658 . 17 1 1 A 53 53 ILE N N 51 122.392 125.201 -2.809 1
1 659 . 17 1 1 A 54 54 ASP H H 52 7.766 8.597 -0.831 1
1 660 . 17 1 1 A 54 54 ASP HA H 52 3.572 3.762 -0.190 1
1 663 . 17 1 1 A 54 54 ASP CA C 52 51.578 51.771 -0.193 1
1 664 . 17 1 1 A 54 54 ASP CB C 52 42.381 40.223 2.158 1
1 665 . 17 1 1 A 54 54 ASP N N 52 126.398 125.662 0.736 1
1 666 . 17 1 1 A 55 55 PRO HA H 53 4.011 4.267 -0.256 1
1 673 . 17 1 1 A 55 55 PRO C C 53 176.274 176.655 -0.381 1
1 674 . 17 1 1 A 55 55 PRO CA C 53 63.546 63.938 -0.392 1
1 675 . 17 1 1 A 55 55 PRO CB C 53 32.270 31.553 0.717 1
1 678 . 17 1 1 A 56 56 LYS H H 54 8.053 8.308 -0.255 1
1 679 . 17 1 1 A 56 56 LYS HA H 54 3.982 4.129 -0.147 1
1 688 . 17 1 1 A 56 56 LYS C C 54 177.867 176.794 1.073 1
1 689 . 17 1 1 A 56 56 LYS CA C 54 56.189 57.435 -1.246 1
1 690 . 17 1 1 A 56 56 LYS CB C 54 31.649 31.927 -0.278 1
1 694 . 17 1 1 A 56 56 LYS N N 54 115.161 115.295 -0.134 1
1 695 . 17 1 1 A 57 57 LEU H H 55 7.145 7.186 -0.041 1
1 696 . 17 1 1 A 57 57 LEU HA H 55 4.027 4.159 -0.132 1
1 706 . 17 1 1 A 57 57 LEU C C 55 179.221 177.224 1.997 1
1 707 . 17 1 1 A 57 57 LEU CA C 55 14.371 55.417 -41.046 1
1 708 . 17 1 1 A 57 57 LEU CB C 55 41.739 41.891 -0.152 1
1 712 . 17 1 1 A 57 57 LEU N N 55 120.921 123.111 -2.190 1
1 713 . 17 1 1 A 58 58 LYS H H 56 8.798 8.817 -0.019 1
1 714 . 17 1 1 A 58 58 LYS HA H 56 3.937 3.921 0.016 1
1 723 . 17 1 1 A 58 58 LYS C C 56 179.161 178.333 0.828 1
1 724 . 17 1 1 A 58 58 LYS CA C 56 60.116 59.158 0.958 1
1 725 . 17 1 1 A 58 58 LYS CB C 56 32.100 32.173 -0.073 1
1 729 . 17 1 1 A 58 58 LYS N N 56 125.449 124.790 0.659 1
1 730 . 17 1 1 A 59 59 TRP H H 57 7.821 8.230 -0.409 1
1 731 . 17 1 1 A 59 59 TRP HA H 57 4.636 4.580 0.056 1
1 740 . 17 1 1 A 59 59 TRP C C 57 178.642 178.778 -0.136 1
1 741 . 17 1 1 A 59 59 TRP CA C 57 58.388 59.370 -0.982 1
1 742 . 17 1 1 A 59 59 TRP CB C 57 27.954 27.741 0.213 1
1 748 . 17 1 1 A 59 59 TRP N N 57 113.650 119.422 -5.772 1
1 750 . 17 1 1 A 60 60 ILE H H 58 6.340 7.430 -1.090 1
1 751 . 17 1 1 A 60 60 ILE HA H 58 3.620 3.297 0.323 1
1 761 . 17 1 1 A 60 60 ILE C C 58 177.104 177.352 -0.248 1
1 762 . 17 1 1 A 60 60 ILE CA C 58 61.605 64.385 -2.780 1
1 763 . 17 1 1 A 60 60 ILE CB C 58 36.043 36.047 -0.004 1
1 767 . 17 1 1 A 60 60 ILE N N 58 123.265 121.924 1.341 1
1 768 . 17 1 1 A 61 61 GLN H H 59 7.710 7.681 0.029 1
1 769 . 17 1 1 A 61 61 GLN HA H 59 3.824 3.959 -0.135 1
1 776 . 17 1 1 A 61 61 GLN C C 59 178.933 178.842 0.091 1
1 777 . 17 1 1 A 61 61 GLN CA C 59 59.663 59.046 0.617 1
1 778 . 17 1 1 A 61 61 GLN CB C 59 27.972 28.019 -0.047 1
1 780 . 17 1 1 A 61 61 GLN N N 59 120.515 118.921 1.594 1
1 782 . 17 1 1 A 62 62 GLU H H 60 8.042 8.081 -0.039 1
1 783 . 17 1 1 A 62 62 GLU HA H 60 4.093 4.067 0.026 1
1 788 . 17 1 1 A 62 62 GLU C C 60 178.539 178.580 -0.041 1
1 789 . 17 1 1 A 62 62 GLU CA C 60 59.152 59.888 -0.736 1
1 790 . 17 1 1 A 62 62 GLU CB C 60 29.896 29.625 0.271 1
1 792 . 17 1 1 A 62 62 GLU N N 60 117.976 121.043 -3.067 1
1 793 . 17 1 1 A 63 63 TYR H H 61 7.882 8.110 -0.228 1
1 794 . 17 1 1 A 63 63 TYR HA H 61 4.214 4.190 0.024 1
1 801 . 17 1 1 A 63 63 TYR C C 61 178.157 177.274 0.883 1
1 802 . 17 1 1 A 63 63 TYR CA C 61 61.281 61.484 -0.203 1
1 803 . 17 1 1 A 63 63 TYR CB C 61 38.956 38.791 0.165 1
1 806 . 17 1 1 A 63 63 TYR N N 61 120.743 122.737 -1.994 1
1 807 . 17 1 1 A 64 64 LEU H H 62 8.438 8.792 -0.354 1
1 808 . 17 1 1 A 64 64 LEU HA H 62 3.886 3.637 0.249 1
1 818 . 17 1 1 A 64 64 LEU C C 62 178.678 179.538 -0.860 1
1 819 . 17 1 1 A 64 64 LEU CA C 62 57.619 57.807 -0.188 1
1 820 . 17 1 1 A 64 64 LEU CB C 62 41.868 41.369 0.499 1
1 824 . 17 1 1 A 64 64 LEU N N 62 119.052 120.229 -1.177 1
1 825 . 17 1 1 A 65 65 GLU H H 63 7.884 9.009 -1.125 1
1 826 . 17 1 1 A 65 65 GLU HA H 63 3.998 4.125 -0.127 1
1 831 . 17 1 1 A 65 65 GLU C C 63 178.447 177.154 1.293 1
1 832 . 17 1 1 A 65 65 GLU CA C 63 59.143 58.111 1.032 1
1 833 . 17 1 1 A 65 65 GLU CB C 63 29.708 28.003 1.705 1
1 835 . 17 1 1 A 65 65 GLU N N 63 118.310 117.998 0.312 1
1 836 . 17 1 1 A 66 66 LYS H H 64 7.576 7.649 -0.073 1
1 837 . 17 1 1 A 66 66 LYS HA H 64 4.208 4.419 -0.211 1
1 846 . 17 1 1 A 66 66 LYS C C 64 177.941 177.164 0.777 1
1 847 . 17 1 1 A 66 66 LYS CA C 64 57.543 55.491 2.052 1
1 848 . 17 1 1 A 66 66 LYS CB C 64 32.620 33.177 -0.557 1
1 852 . 17 1 1 A 66 66 LYS N N 64 117.398 118.907 -1.509 1
1 853 . 17 1 1 A 67 67 ALA H H 65 7.934 7.461 0.473 1
1 854 . 17 1 1 A 67 67 ALA HA H 65 4.106 4.242 -0.136 1
1 858 . 17 1 1 A 67 67 ALA C C 65 178.624 179.566 -0.942 1
1 859 . 17 1 1 A 67 67 ALA CA C 65 53.790 53.408 0.382 1
1 860 . 17 1 1 A 67 67 ALA CB C 65 19.106 19.235 -0.129 1
1 861 . 17 1 1 A 67 67 ALA N N 65 121.561 121.139 0.422 1
1 862 . 17 1 1 A 68 68 LEU H H 66 7.835 7.638 0.197 1
1 863 . 17 1 1 A 68 68 LEU HA H 66 4.268 4.124 0.144 1
1 873 . 17 1 1 A 68 68 LEU CA C 66 55.593 57.108 -1.515 1
1 874 . 17 1 1 A 68 68 LEU CB C 66 42.191 42.621 -0.430 1
1 877 . 17 1 1 A 68 68 LEU N N 66 117.270 117.699 -0.429 1
1 878 . 17 1 1 A 69 69 ASN H H 67 7.914 7.292 0.622 1
1 879 . 17 1 1 A 69 69 ASN HA H 67 4.731 5.105 -0.374 1
1 884 . 17 1 1 A 69 69 ASN C C 67 174.039 173.999 0.040 1
1 885 . 17 1 1 A 69 69 ASN CA C 67 53.328 52.020 1.308 1
1 886 . 17 1 1 A 69 69 ASN CB C 67 39.091 40.435 -1.344 1
1 887 . 17 1 1 A 69 69 ASN N N 67 118.309 114.168 4.141 1
1 18 . 18 1 1 A 4 4 PRO HA H 2 4.447 4.813 -0.366 1
1 25 . 18 1 1 A 4 4 PRO C C 2 176.996 175.741 1.255 1
1 26 . 18 1 1 A 4 4 PRO CA C 2 63.494 62.405 1.089 1
1 27 . 18 1 1 A 4 4 PRO CB C 2 32.161 29.988 2.173 1
1 30 . 18 1 1 A 5 5 VAL H H 3 8.292 8.171 0.121 1
1 31 . 18 1 1 A 5 5 VAL HA H 3 4.074 4.409 -0.335 1
1 39 . 18 1 1 A 5 5 VAL C C 3 176.376 174.966 1.410 1
1 40 . 18 1 1 A 5 5 VAL CA C 3 62.495 61.566 0.929 1
1 41 . 18 1 1 A 5 5 VAL CB C 3 32.808 33.372 -0.564 1
1 43 . 18 1 1 A 5 5 VAL N N 3 121.008 124.658 -3.650 1
1 44 . 18 1 1 A 6 6 SER H H 4 8.313 8.806 -0.493 1
1 45 . 18 1 1 A 6 6 SER HA H 4 4.419 4.890 -0.471 1
1 48 . 18 1 1 A 6 6 SER C C 4 174.577 173.347 1.230 1
1 49 . 18 1 1 A 6 6 SER CA C 4 58.148 57.252 0.896 1
1 50 . 18 1 1 A 6 6 SER CB C 4 63.870 62.810 1.060 1
1 51 . 18 1 1 A 6 6 SER N N 4 119.573 121.581 -2.008 1
1 52 . 18 1 1 A 7 7 LEU H H 5 8.326 8.308 0.018 1
1 53 . 18 1 1 A 7 7 LEU HA H 5 4.342 4.661 -0.319 1
1 63 . 18 1 1 A 7 7 LEU C C 5 177.341 176.253 1.088 1
1 64 . 18 1 1 A 7 7 LEU CA C 5 55.388 54.304 1.084 1
1 65 . 18 1 1 A 7 7 LEU CB C 5 42.650 40.646 2.004 1
1 68 . 18 1 1 A 7 7 LEU N N 5 125.039 128.552 -3.513 1
1 69 . 18 1 1 A 8 8 SER H H 6 8.157 8.448 -0.291 1
1 70 . 18 1 1 A 8 8 SER HA H 6 4.360 4.511 -0.151 1
1 73 . 18 1 1 A 8 8 SER C C 6 174.189 173.221 0.968 1
1 74 . 18 1 1 A 8 8 SER CA C 6 58.433 58.664 -0.231 1
1 75 . 18 1 1 A 8 8 SER CB C 6 63.870 63.134 0.736 1
1 76 . 18 1 1 A 8 8 SER N N 6 116.154 118.863 -2.709 1
1 77 . 18 1 1 A 9 9 TYR H H 7 8.017 8.995 -0.978 1
1 78 . 18 1 1 A 9 9 TYR HA H 7 4.512 4.801 -0.289 1
1 85 . 18 1 1 A 9 9 TYR C C 7 175.520 174.442 1.078 1
1 86 . 18 1 1 A 9 9 TYR CA C 7 58.008 56.682 1.326 1
1 87 . 18 1 1 A 9 9 TYR CB C 7 38.956 38.229 0.727 1
1 90 . 18 1 1 A 9 9 TYR N N 7 122.213 128.217 -6.004 1
1 91 . 18 1 1 A 10 10 ARG H H 8 8.152 8.050 0.102 1
1 92 . 18 1 1 A 10 10 ARG HA H 8 4.260 4.383 -0.123 1
1 99 . 18 1 1 A 10 10 ARG C C 8 175.918 175.771 0.147 1
1 100 . 18 1 1 A 10 10 ARG CA C 8 56.104 56.829 -0.725 1
1 101 . 18 1 1 A 10 10 ARG CB C 8 30.875 31.272 -0.397 1
1 104 . 18 1 1 A 10 10 ARG N N 8 122.182 127.183 -5.001 1
1 105 . 18 1 1 A 11 11 CYS H H 9 8.132 7.434 0.698 1
1 106 . 18 1 1 A 11 11 CYS HA H 9 4.935 4.700 0.235 1
1 109 . 18 1 1 A 11 11 CYS C C 9 173.615 173.278 0.337 1
1 110 . 18 1 1 A 11 11 CYS CA C 9 53.127 54.481 -1.354 1
1 111 . 18 1 1 A 11 11 CYS CB C 9 40.201 42.876 -2.675 1
1 112 . 18 1 1 A 11 11 CYS N N 9 121.280 117.694 3.586 1
1 113 . 18 1 1 A 12 12 PRO HA H 10 4.290 4.558 -0.268 1
1 120 . 18 1 1 A 12 12 PRO C C 10 177.703 176.336 1.367 1
1 121 . 18 1 1 A 12 12 PRO CA C 10 64.835 64.549 0.286 1
1 122 . 18 1 1 A 12 12 PRO CB C 10 32.484 31.472 1.012 1
1 125 . 18 1 1 A 13 13 CYS H H 11 8.300 7.928 0.372 1
1 126 . 18 1 1 A 13 13 CYS HA H 11 4.891 4.803 0.088 1
1 129 . 18 1 1 A 13 13 CYS C C 11 174.202 173.046 1.156 1
1 130 . 18 1 1 A 13 13 CYS CA C 11 53.480 57.525 -4.045 1
1 131 . 18 1 1 A 13 13 CYS CB C 11 39.603 43.844 -4.241 1
1 132 . 18 1 1 A 13 13 CYS N N 11 114.161 117.291 -3.130 1
1 133 . 18 1 1 A 14 14 ARG HA H 12 3.963 4.416 -0.453 1
1 140 . 18 1 1 A 14 14 ARG C C 12 175.202 175.787 -0.585 1
1 141 . 18 1 1 A 14 14 ARG CA C 12 57.293 54.670 2.623 1
1 142 . 18 1 1 A 14 14 ARG CB C 12 31.099 30.911 0.188 1
1 145 . 18 1 1 A 15 15 PHE H H 13 7.543 8.062 -0.519 1
1 146 . 18 1 1 A 15 15 PHE HA H 13 4.496 4.207 0.289 1
1 154 . 18 1 1 A 15 15 PHE C C 13 174.226 173.655 0.571 1
1 155 . 18 1 1 A 15 15 PHE CA C 13 55.971 59.423 -3.452 1
1 156 . 18 1 1 A 15 15 PHE CB C 13 41.032 37.690 3.342 1
1 160 . 18 1 1 A 15 15 PHE N N 13 116.175 120.775 -4.600 1
1 161 . 18 1 1 A 16 16 PHE H H 14 8.305 8.929 -0.624 1
1 162 . 18 1 1 A 16 16 PHE HA H 14 4.812 5.028 -0.216 1
1 170 . 18 1 1 A 16 16 PHE C C 14 175.247 176.291 -1.044 1
1 171 . 18 1 1 A 16 16 PHE CA C 14 55.559 56.630 -1.071 1
1 172 . 18 1 1 A 16 16 PHE CB C 14 41.220 42.095 -0.875 1
1 176 . 18 1 1 A 16 16 PHE N N 14 119.656 119.651 0.005 1
1 177 . 18 1 1 A 17 17 GLU H H 15 8.879 9.428 -0.549 1
1 178 . 18 1 1 A 17 17 GLU HA H 15 4.536 4.035 0.501 1
1 183 . 18 1 1 A 17 17 GLU C C 15 176.747 176.610 0.137 1
1 184 . 18 1 1 A 17 17 GLU CA C 15 56.012 59.586 -3.574 1
1 185 . 18 1 1 A 17 17 GLU CB C 15 30.876 29.814 1.062 1
1 187 . 18 1 1 A 17 17 GLU N N 15 122.563 124.446 -1.883 1
1 188 . 18 1 1 A 18 18 SER H H 16 8.810 8.363 0.447 1
1 189 . 18 1 1 A 18 18 SER HA H 16 4.673 4.496 0.177 1
1 192 . 18 1 1 A 18 18 SER C C 16 174.278 173.529 0.749 1
1 193 . 18 1 1 A 18 18 SER CA C 16 59.799 60.057 -0.258 1
1 194 . 18 1 1 A 18 18 SER CB C 16 63.999 61.552 2.447 1
1 195 . 18 1 1 A 18 18 SER N N 16 119.679 115.303 4.376 1
1 196 . 18 1 1 A 19 19 HIS H H 17 8.712 8.531 0.181 1
1 197 . 18 1 1 A 19 19 HIS HA H 17 4.777 4.766 0.011 1
1 202 . 18 1 1 A 19 19 HIS C C 17 174.580 173.808 0.772 1
1 203 . 18 1 1 A 19 19 HIS CA C 17 56.240 54.199 2.041 1
1 204 . 18 1 1 A 19 19 HIS CB C 17 29.896 28.604 1.292 1
1 207 . 18 1 1 A 19 19 HIS N N 17 120.269 121.729 -1.460 1
1 208 . 18 1 1 A 20 20 VAL H H 18 7.145 8.528 -1.383 1
1 209 . 18 1 1 A 20 20 VAL HA H 18 4.132 4.558 -0.426 1
1 217 . 18 1 1 A 20 20 VAL C C 18 174.138 174.969 -0.831 1
1 218 . 18 1 1 A 20 20 VAL CA C 18 61.605 60.760 0.845 1
1 219 . 18 1 1 A 20 20 VAL CB C 18 34.102 34.777 -0.675 1
1 221 . 18 1 1 A 20 20 VAL N N 18 120.100 125.821 -5.721 1
1 222 . 18 1 1 A 21 21 ALA H H 19 8.554 8.321 0.233 1
1 223 . 18 1 1 A 21 21 ALA HA H 19 4.353 4.273 0.080 1
1 227 . 18 1 1 A 21 21 ALA C C 19 177.514 177.626 -0.112 1
1 228 . 18 1 1 A 21 21 ALA CA C 19 50.666 49.938 0.728 1
1 229 . 18 1 1 A 21 21 ALA CB C 19 19.648 21.463 -1.815 1
1 230 . 18 1 1 A 21 21 ALA N N 19 131.180 129.582 1.598 1
1 231 . 18 1 1 A 22 22 ARG H H 20 7.813 7.975 -0.162 1
1 232 . 18 1 1 A 22 22 ARG HA H 20 2.621 2.922 -0.301 1
1 239 . 18 1 1 A 22 22 ARG C C 20 178.531 177.302 1.229 1
1 240 . 18 1 1 A 22 22 ARG CA C 20 59.155 58.449 0.706 1
1 241 . 18 1 1 A 22 22 ARG CB C 20 29.167 29.239 -0.072 1
1 244 . 18 1 1 A 22 22 ARG N N 20 124.436 119.986 4.450 1
1 245 . 18 1 1 A 23 23 ALA H H 21 8.191 7.742 0.449 1
1 246 . 18 1 1 A 23 23 ALA HA H 21 4.023 4.177 -0.154 1
1 250 . 18 1 1 A 23 23 ALA C C 21 177.743 180.286 -2.543 1
1 251 . 18 1 1 A 23 23 ALA CA C 21 53.809 53.822 -0.013 1
1 252 . 18 1 1 A 23 23 ALA CB C 21 18.712 18.723 -0.011 1
1 253 . 18 1 1 A 23 23 ALA N N 21 117.354 121.493 -4.139 1
1 254 . 18 1 1 A 24 24 ASN H H 22 7.738 7.678 0.060 1
1 255 . 18 1 1 A 24 24 ASN HA H 22 4.928 4.501 0.427 1
1 260 . 18 1 1 A 24 24 ASN C C 22 174.889 175.169 -0.280 1
1 261 . 18 1 1 A 24 24 ASN CA C 22 52.590 54.993 -2.403 1
1 262 . 18 1 1 A 24 24 ASN CB C 22 40.335 38.805 1.530 1
1 263 . 18 1 1 A 24 24 ASN N N 22 112.797 116.276 -3.479 1
1 265 . 18 1 1 A 25 25 VAL H H 23 7.438 7.231 0.207 1
1 266 . 18 1 1 A 25 25 VAL HA H 23 4.349 4.199 0.150 1
1 274 . 18 1 1 A 25 25 VAL C C 23 174.594 175.633 -1.039 1
1 275 . 18 1 1 A 25 25 VAL CA C 23 62.406 62.140 0.266 1
1 276 . 18 1 1 A 25 25 VAL CB C 23 33.445 32.647 0.798 1
1 278 . 18 1 1 A 25 25 VAL N N 23 118.653 118.411 0.242 1
1 279 . 18 1 1 A 26 26 LYS H H 24 9.262 9.182 0.080 1
1 280 . 18 1 1 A 26 26 LYS HA H 24 4.394 4.222 0.172 1
1 289 . 18 1 1 A 26 26 LYS C C 24 175.247 175.591 -0.344 1
1 290 . 18 1 1 A 26 26 LYS CA C 24 56.483 58.167 -1.684 1
1 291 . 18 1 1 A 26 26 LYS CB C 24 35.022 33.425 1.597 1
1 295 . 18 1 1 A 26 26 LYS N N 24 125.308 129.755 -4.447 1
1 296 . 18 1 1 A 27 27 HIS H H 25 7.749 7.630 0.119 1
1 297 . 18 1 1 A 27 27 HIS HA H 25 4.625 4.918 -0.293 1
1 302 . 18 1 1 A 27 27 HIS C C 25 173.157 173.175 -0.018 1
1 303 . 18 1 1 A 27 27 HIS CA C 25 55.916 54.368 1.548 1
1 304 . 18 1 1 A 27 27 HIS CB C 25 32.808 33.091 -0.283 1
1 307 . 18 1 1 A 27 27 HIS N N 25 115.509 117.871 -2.362 1
1 308 . 18 1 1 A 28 28 LEU H H 26 8.117 8.622 -0.505 1
1 309 . 18 1 1 A 28 28 LEU HA H 26 4.990 5.189 -0.199 1
1 319 . 18 1 1 A 28 28 LEU C C 26 175.514 174.850 0.664 1
1 320 . 18 1 1 A 28 28 LEU CA C 26 54.662 53.816 0.846 1
1 321 . 18 1 1 A 28 28 LEU CB C 26 45.594 44.429 1.165 1
1 325 . 18 1 1 A 29 29 LYS H H 27 9.028 9.805 -0.777 1
1 326 . 18 1 1 A 29 29 LYS HA H 27 4.585 4.977 -0.392 1
1 335 . 18 1 1 A 29 29 LYS C C 27 173.758 175.000 -1.242 1
1 336 . 18 1 1 A 29 29 LYS CA C 27 54.945 54.638 0.307 1
1 337 . 18 1 1 A 29 29 LYS CB C 27 36.358 34.913 1.445 1
1 341 . 18 1 1 A 29 29 LYS N N 27 122.904 126.347 -3.443 1
1 342 . 18 1 1 A 30 30 ILE H H 28 8.540 9.075 -0.535 1
1 343 . 18 1 1 A 30 30 ILE HA H 28 4.626 4.543 0.083 1
1 353 . 18 1 1 A 30 30 ILE C C 28 175.988 174.382 1.606 1
1 354 . 18 1 1 A 30 30 ILE CA C 28 60.122 60.223 -0.101 1
1 355 . 18 1 1 A 30 30 ILE CB C 28 38.795 37.408 1.387 1
1 359 . 18 1 1 A 30 30 ILE N N 28 123.517 128.416 -4.899 1
1 360 . 18 1 1 A 31 31 LEU H H 29 8.961 9.235 -0.274 1
1 361 . 18 1 1 A 31 31 LEU HA H 29 4.564 5.138 -0.574 1
1 371 . 18 1 1 A 31 31 LEU C C 29 176.005 174.999 1.006 1
1 372 . 18 1 1 A 31 31 LEU CA C 29 53.975 53.528 0.447 1
1 373 . 18 1 1 A 31 31 LEU CB C 29 43.485 45.120 -1.635 1
1 376 . 18 1 1 A 31 31 LEU N N 29 128.881 130.459 -1.578 1
1 377 . 18 1 1 A 32 32 ASN H H 30 8.763 8.845 -0.082 1
1 378 . 18 1 1 A 32 32 ASN HA H 30 4.991 5.192 -0.201 1
1 383 . 18 1 1 A 32 32 ASN C C 30 174.462 174.646 -0.184 1
1 384 . 18 1 1 A 32 32 ASN CA C 30 52.413 52.866 -0.453 1
1 385 . 18 1 1 A 32 32 ASN CB C 30 39.238 39.644 -0.406 1
1 386 . 18 1 1 A 32 32 ASN N N 30 124.019 125.433 -1.414 1
1 388 . 18 1 1 A 33 33 THR H H 31 8.170 8.254 -0.084 1
1 389 . 18 1 1 A 33 33 THR HA H 31 4.628 4.840 -0.212 1
1 394 . 18 1 1 A 33 33 THR CA C 31 59.475 59.067 0.408 1
1 395 . 18 1 1 A 33 33 THR CB C 31 70.435 70.796 -0.361 1
1 397 . 18 1 1 A 33 33 THR N N 31 119.276 117.672 1.604 1
1 398 . 18 1 1 A 34 34 PRO HA H 32 4.223 4.288 -0.065 1
1 405 . 18 1 1 A 34 34 PRO C C 32 176.814 177.829 -1.015 1
1 406 . 18 1 1 A 34 34 PRO CA C 32 64.445 65.781 -1.336 1
1 407 . 18 1 1 A 34 34 PRO CB C 32 32.161 31.819 0.342 1
1 410 . 18 1 1 A 35 35 ASN H H 33 8.574 8.375 0.199 1
1 411 . 18 1 1 A 35 35 ASN HA H 33 4.320 4.698 -0.378 1
1 416 . 18 1 1 A 35 35 ASN C C 33 174.344 175.406 -1.062 1
1 417 . 18 1 1 A 35 35 ASN CA C 33 54.945 53.572 1.373 1
1 418 . 18 1 1 A 35 35 ASN CB C 33 38.122 38.432 -0.310 1
1 419 . 18 1 1 A 35 35 ASN N N 33 113.042 113.732 -0.690 1
1 421 . 18 1 1 A 36 36 CYS H H 34 7.554 7.786 -0.232 1
1 422 . 18 1 1 A 36 36 CYS HA H 34 4.891 4.731 0.160 1
1 425 . 18 1 1 A 36 36 CYS C C 34 173.880 173.542 0.338 1
1 426 . 18 1 1 A 36 36 CYS CA C 34 54.622 57.268 -2.646 1
1 427 . 18 1 1 A 36 36 CYS CB C 34 44.780 44.361 0.419 1
1 428 . 18 1 1 A 36 36 CYS N N 34 116.301 116.652 -0.351 1
1 429 . 18 1 1 A 37 37 ALA H H 35 8.418 7.162 1.256 1
1 430 . 18 1 1 A 37 37 ALA HA H 35 4.237 4.460 -0.223 1
1 434 . 18 1 1 A 37 37 ALA C C 35 176.677 175.053 1.624 1
1 435 . 18 1 1 A 37 37 ALA CA C 35 52.413 51.655 0.758 1
1 436 . 18 1 1 A 37 37 ALA CB C 35 18.992 21.945 -2.953 1
1 437 . 18 1 1 A 37 37 ALA N N 35 125.001 117.498 7.503 1
1 438 . 18 1 1 A 38 38 LEU H H 36 8.060 8.419 -0.359 1
1 439 . 18 1 1 A 38 38 LEU HA H 36 4.203 4.787 -0.584 1
1 449 . 18 1 1 A 38 38 LEU C C 36 176.194 174.843 1.351 1
1 450 . 18 1 1 A 38 38 LEU CA C 36 56.563 54.327 2.236 1
1 451 . 18 1 1 A 38 38 LEU CB C 36 42.488 43.512 -1.024 1
1 455 . 18 1 1 A 38 38 LEU N N 36 121.548 120.209 1.339 1
1 456 . 18 1 1 A 39 39 GLN H H 37 8.434 8.919 -0.485 1
1 457 . 18 1 1 A 39 39 GLN HA H 37 4.623 5.035 -0.412 1
1 464 . 18 1 1 A 39 39 GLN C C 37 173.581 174.869 -1.288 1
1 465 . 18 1 1 A 39 39 GLN CA C 37 54.109 54.502 -0.393 1
1 466 . 18 1 1 A 39 39 GLN CB C 37 32.286 30.761 1.525 1
1 468 . 18 1 1 A 39 39 GLN N N 37 123.271 125.750 -2.479 1
1 470 . 18 1 1 A 40 40 ILE H H 38 9.408 8.921 0.487 1
1 471 . 18 1 1 A 40 40 ILE HA H 38 4.735 4.852 -0.117 1
1 481 . 18 1 1 A 40 40 ILE C C 38 174.547 175.380 -0.833 1
1 482 . 18 1 1 A 40 40 ILE CA C 38 60.122 59.781 0.341 1
1 483 . 18 1 1 A 40 40 ILE CB C 38 38.899 38.265 0.634 1
1 487 . 18 1 1 A 40 40 ILE N N 38 124.702 126.253 -1.551 1
1 488 . 18 1 1 A 41 41 VAL H H 39 8.826 9.696 -0.870 1
1 489 . 18 1 1 A 41 41 VAL HA H 39 5.041 4.662 0.379 1
1 497 . 18 1 1 A 41 41 VAL C C 39 174.772 175.264 -0.492 1
1 498 . 18 1 1 A 41 41 VAL CA C 39 60.111 61.440 -1.329 1
1 499 . 18 1 1 A 41 41 VAL CB C 39 34.767 33.165 1.602 1
1 501 . 18 1 1 A 41 41 VAL N N 39 124.047 129.190 -5.143 1
1 502 . 18 1 1 A 42 42 ALA H H 40 9.299 9.252 0.047 1
1 503 . 18 1 1 A 42 42 ALA HA H 40 5.276 5.813 -0.537 1
1 507 . 18 1 1 A 42 42 ALA C C 40 175.955 174.971 0.984 1
1 508 . 18 1 1 A 42 42 ALA CA C 40 50.093 50.261 -0.168 1
1 509 . 18 1 1 A 42 42 ALA CB C 40 23.800 23.436 0.364 1
1 510 . 18 1 1 A 42 42 ALA N N 40 126.567 129.285 -2.718 1
1 511 . 18 1 1 A 43 43 ARG H H 41 8.398 8.887 -0.489 1
1 512 . 18 1 1 A 43 43 ARG HA H 41 5.131 5.184 -0.053 1
1 519 . 18 1 1 A 43 43 ARG C C 41 176.184 174.852 1.332 1
1 520 . 18 1 1 A 43 43 ARG CA C 41 53.900 54.755 -0.855 1
1 521 . 18 1 1 A 43 43 ARG CB C 41 32.161 33.874 -1.713 1
1 524 . 18 1 1 A 43 43 ARG N N 41 118.991 122.135 -3.144 1
1 525 . 18 1 1 A 44 44 LEU H H 42 8.988 9.481 -0.493 1
1 526 . 18 1 1 A 44 44 LEU HA H 42 4.925 4.559 0.366 1
1 536 . 18 1 1 A 44 44 LEU C C 42 178.369 176.824 1.545 1
1 537 . 18 1 1 A 44 44 LEU CA C 42 54.329 54.161 0.168 1
1 538 . 18 1 1 A 44 44 LEU CB C 42 41.497 42.625 -1.128 1
1 542 . 18 1 1 A 44 44 LEU N N 42 125.637 127.441 -1.804 1
1 543 . 18 1 1 A 45 45 LYS H H 43 8.470 9.619 -1.149 1
1 544 . 18 1 1 A 45 45 LYS HA H 43 3.823 4.009 -0.186 1
1 553 . 18 1 1 A 45 45 LYS CA C 43 59.340 59.236 0.104 1
1 554 . 18 1 1 A 45 45 LYS CB C 43 33.445 32.723 0.722 1
1 558 . 18 1 1 A 45 45 LYS N N 43 120.489 122.393 -1.904 1
1 559 . 18 1 1 A 46 46 ASN HA H 44 4.421 4.458 -0.037 1
1 564 . 18 1 1 A 46 46 ASN C C 44 175.970 177.088 -1.118 1
1 565 . 18 1 1 A 46 46 ASN CA C 44 55.457 56.099 -0.642 1
1 566 . 18 1 1 A 46 46 ASN CB C 44 37.507 38.880 -1.373 1
1 568 . 18 1 1 A 47 47 ASN H H 45 7.483 8.030 -0.547 1
1 569 . 18 1 1 A 47 47 ASN HA H 45 4.706 4.792 -0.086 1
1 574 . 18 1 1 A 47 47 ASN C C 45 175.461 175.484 -0.023 1
1 575 . 18 1 1 A 47 47 ASN CA C 45 52.769 52.980 -0.211 1
1 576 . 18 1 1 A 47 47 ASN CB C 45 39.194 39.115 0.079 1
1 577 . 18 1 1 A 47 47 ASN N N 45 115.277 114.293 0.984 1
1 579 . 18 1 1 A 48 48 ASN H H 46 7.995 8.242 -0.247 1
1 580 . 18 1 1 A 48 48 ASN HA H 46 4.661 4.644 0.017 1
1 585 . 18 1 1 A 48 48 ASN C C 46 174.812 174.607 0.205 1
1 586 . 18 1 1 A 48 48 ASN CA C 46 54.298 54.629 -0.331 1
1 587 . 18 1 1 A 48 48 ASN CB C 46 39.103 38.193 0.910 1
1 588 . 18 1 1 A 48 48 ASN N N 46 116.416 117.065 -0.649 1
1 590 . 18 1 1 A 49 49 ARG H H 47 7.940 7.919 0.021 1
1 591 . 18 1 1 A 49 49 ARG HA H 47 4.205 4.612 -0.407 1
1 598 . 18 1 1 A 49 49 ARG C C 47 175.719 174.884 0.835 1
1 599 . 18 1 1 A 49 49 ARG CA C 47 57.084 55.798 1.286 1
1 600 . 18 1 1 A 49 49 ARG CB C 47 31.792 31.701 0.091 1
1 603 . 18 1 1 A 49 49 ARG N N 47 120.017 119.557 0.460 1
1 604 . 18 1 1 A 50 50 GLN H H 48 8.641 8.667 -0.026 1
1 605 . 18 1 1 A 50 50 GLN HA H 48 5.240 5.000 0.240 1
1 612 . 18 1 1 A 50 50 GLN C C 48 175.697 175.477 0.220 1
1 613 . 18 1 1 A 50 50 GLN CA C 48 55.454 54.850 0.604 1
1 614 . 18 1 1 A 50 50 GLN CB C 48 30.959 30.848 0.111 1
1 616 . 18 1 1 A 50 50 GLN N N 48 123.029 122.555 0.474 1
1 618 . 18 1 1 A 51 51 VAL H H 49 9.018 9.505 -0.487 1
1 619 . 18 1 1 A 51 51 VAL HA H 49 4.745 5.009 -0.264 1
1 627 . 18 1 1 A 51 51 VAL C C 49 174.561 174.566 -0.005 1
1 628 . 18 1 1 A 51 51 VAL CA C 49 59.266 58.802 0.464 1
1 629 . 18 1 1 A 51 51 VAL CB C 49 35.845 35.885 -0.040 1
1 632 . 18 1 1 A 51 51 VAL N N 49 119.358 118.765 0.593 1
1 633 . 18 1 1 A 52 52 CYS H H 50 8.895 9.021 -0.126 1
1 634 . 18 1 1 A 52 52 CYS HA H 50 5.636 5.463 0.173 1
1 637 . 18 1 1 A 52 52 CYS C C 50 174.469 172.867 1.602 1
1 638 . 18 1 1 A 52 52 CYS CA C 50 56.377 54.621 1.756 1
1 639 . 18 1 1 A 52 52 CYS CB C 50 44.680 45.428 -0.748 1
1 640 . 18 1 1 A 52 52 CYS N N 50 120.834 118.842 1.992 1
1 641 . 18 1 1 A 53 53 ILE H H 51 8.615 9.604 -0.989 1
1 642 . 18 1 1 A 53 53 ILE HA H 51 4.512 4.537 -0.025 1
1 652 . 18 1 1 A 53 53 ILE C C 51 174.137 174.536 -0.399 1
1 653 . 18 1 1 A 53 53 ILE CA C 51 59.397 60.341 -0.944 1
1 654 . 18 1 1 A 53 53 ILE CB C 51 39.603 39.903 -0.300 1
1 658 . 18 1 1 A 53 53 ILE N N 51 122.392 124.176 -1.784 1
1 659 . 18 1 1 A 54 54 ASP H H 52 7.766 8.206 -0.440 1
1 660 . 18 1 1 A 54 54 ASP HA H 52 3.572 3.353 0.219 1
1 663 . 18 1 1 A 54 54 ASP CA C 52 51.578 51.200 0.378 1
1 664 . 18 1 1 A 54 54 ASP CB C 52 42.381 41.817 0.564 1
1 665 . 18 1 1 A 54 54 ASP N N 52 126.398 126.765 -0.367 1
1 666 . 18 1 1 A 55 55 PRO HA H 53 4.011 4.233 -0.222 1
1 673 . 18 1 1 A 55 55 PRO C C 53 176.274 177.303 -1.029 1
1 674 . 18 1 1 A 55 55 PRO CA C 53 63.546 63.918 -0.372 1
1 675 . 18 1 1 A 55 55 PRO CB C 53 32.270 31.599 0.671 1
1 678 . 18 1 1 A 56 56 LYS H H 54 8.053 7.799 0.254 1
1 679 . 18 1 1 A 56 56 LYS HA H 54 3.982 4.287 -0.305 1
1 688 . 18 1 1 A 56 56 LYS C C 54 177.867 176.608 1.259 1
1 689 . 18 1 1 A 56 56 LYS CA C 54 56.189 56.169 0.020 1
1 690 . 18 1 1 A 56 56 LYS CB C 54 31.649 33.023 -1.374 1
1 694 . 18 1 1 A 56 56 LYS N N 54 115.161 116.429 -1.268 1
1 695 . 18 1 1 A 57 57 LEU H H 55 7.145 7.050 0.095 1
1 696 . 18 1 1 A 57 57 LEU HA H 55 4.027 4.136 -0.109 1
1 706 . 18 1 1 A 57 57 LEU C C 55 179.221 177.453 1.768 1
1 707 . 18 1 1 A 57 57 LEU CA C 55 14.371 55.398 -41.027 1
1 708 . 18 1 1 A 57 57 LEU CB C 55 41.739 41.721 0.018 1
1 712 . 18 1 1 A 57 57 LEU N N 55 120.921 121.703 -0.782 1
1 713 . 18 1 1 A 58 58 LYS H H 56 8.798 8.839 -0.041 1
1 714 . 18 1 1 A 58 58 LYS HA H 56 3.937 3.957 -0.020 1
1 723 . 18 1 1 A 58 58 LYS C C 56 179.161 178.350 0.811 1
1 724 . 18 1 1 A 58 58 LYS CA C 56 60.116 59.469 0.647 1
1 725 . 18 1 1 A 58 58 LYS CB C 56 32.100 32.192 -0.092 1
1 729 . 18 1 1 A 58 58 LYS N N 56 125.449 125.249 0.200 1
1 730 . 18 1 1 A 59 59 TRP H H 57 7.821 8.283 -0.462 1
1 731 . 18 1 1 A 59 59 TRP HA H 57 4.636 4.559 0.077 1
1 740 . 18 1 1 A 59 59 TRP C C 57 178.642 179.024 -0.382 1
1 741 . 18 1 1 A 59 59 TRP CA C 57 58.388 59.511 -1.123 1
1 742 . 18 1 1 A 59 59 TRP CB C 57 27.954 27.811 0.143 1
1 748 . 18 1 1 A 59 59 TRP N N 57 113.650 119.289 -5.639 1
1 750 . 18 1 1 A 60 60 ILE H H 58 6.340 7.509 -1.169 1
1 751 . 18 1 1 A 60 60 ILE HA H 58 3.620 3.275 0.345 1
1 761 . 18 1 1 A 60 60 ILE C C 58 177.104 177.447 -0.343 1
1 762 . 18 1 1 A 60 60 ILE CA C 58 61.605 64.108 -2.503 1
1 763 . 18 1 1 A 60 60 ILE CB C 58 36.043 35.839 0.204 1
1 767 . 18 1 1 A 60 60 ILE N N 58 123.265 121.843 1.422 1
1 768 . 18 1 1 A 61 61 GLN H H 59 7.710 8.162 -0.452 1
1 769 . 18 1 1 A 61 61 GLN HA H 59 3.824 3.919 -0.095 1
1 776 . 18 1 1 A 61 61 GLN C C 59 178.933 179.117 -0.184 1
1 777 . 18 1 1 A 61 61 GLN CA C 59 59.663 59.009 0.654 1
1 778 . 18 1 1 A 61 61 GLN CB C 59 27.972 28.309 -0.337 1
1 780 . 18 1 1 A 61 61 GLN N N 59 120.515 119.106 1.409 1
1 782 . 18 1 1 A 62 62 GLU H H 60 8.042 7.675 0.367 1
1 783 . 18 1 1 A 62 62 GLU HA H 60 4.093 4.052 0.041 1
1 788 . 18 1 1 A 62 62 GLU C C 60 178.539 178.991 -0.452 1
1 789 . 18 1 1 A 62 62 GLU CA C 60 59.152 59.272 -0.120 1
1 790 . 18 1 1 A 62 62 GLU CB C 60 29.896 29.614 0.282 1
1 792 . 18 1 1 A 62 62 GLU N N 60 117.976 121.183 -3.207 1
1 793 . 18 1 1 A 63 63 TYR H H 61 7.882 8.342 -0.460 1
1 794 . 18 1 1 A 63 63 TYR HA H 61 4.214 4.169 0.045 1
1 801 . 18 1 1 A 63 63 TYR C C 61 178.157 177.235 0.922 1
1 802 . 18 1 1 A 63 63 TYR CA C 61 61.281 61.505 -0.224 1
1 803 . 18 1 1 A 63 63 TYR CB C 61 38.956 38.678 0.278 1
1 806 . 18 1 1 A 63 63 TYR N N 61 120.743 122.372 -1.629 1
1 807 . 18 1 1 A 64 64 LEU H H 62 8.438 8.695 -0.257 1
1 808 . 18 1 1 A 64 64 LEU HA H 62 3.886 3.669 0.217 1
1 818 . 18 1 1 A 64 64 LEU C C 62 178.678 179.092 -0.414 1
1 819 . 18 1 1 A 64 64 LEU CA C 62 57.619 57.822 -0.203 1
1 820 . 18 1 1 A 64 64 LEU CB C 62 41.868 41.349 0.519 1
1 824 . 18 1 1 A 64 64 LEU N N 62 119.052 119.625 -0.573 1
1 825 . 18 1 1 A 65 65 GLU H H 63 7.884 7.682 0.202 1
1 826 . 18 1 1 A 65 65 GLU HA H 63 3.998 3.945 0.053 1
1 831 . 18 1 1 A 65 65 GLU C C 63 178.447 179.291 -0.844 1
1 832 . 18 1 1 A 65 65 GLU CA C 63 59.143 59.391 -0.248 1
1 833 . 18 1 1 A 65 65 GLU CB C 63 29.708 29.174 0.534 1
1 835 . 18 1 1 A 65 65 GLU N N 63 118.310 117.485 0.825 1
1 836 . 18 1 1 A 66 66 LYS H H 64 7.576 8.136 -0.560 1
1 837 . 18 1 1 A 66 66 LYS HA H 64 4.208 3.985 0.223 1
1 846 . 18 1 1 A 66 66 LYS C C 64 177.941 178.498 -0.557 1
1 847 . 18 1 1 A 66 66 LYS CA C 64 57.543 59.184 -1.641 1
1 848 . 18 1 1 A 66 66 LYS CB C 64 32.620 32.627 -0.007 1
1 852 . 18 1 1 A 66 66 LYS N N 64 117.398 120.143 -2.745 1
1 853 . 18 1 1 A 67 67 ALA H H 65 7.934 8.208 -0.274 1
1 854 . 18 1 1 A 67 67 ALA HA H 65 4.106 3.899 0.207 1
1 858 . 18 1 1 A 67 67 ALA C C 65 178.624 180.308 -1.684 1
1 859 . 18 1 1 A 67 67 ALA CA C 65 53.790 54.699 -0.909 1
1 860 . 18 1 1 A 67 67 ALA CB C 65 19.106 18.045 1.061 1
1 861 . 18 1 1 A 67 67 ALA N N 65 121.561 121.813 -0.252 1
1 862 . 18 1 1 A 68 68 LEU H H 66 7.835 7.809 0.026 1
1 863 . 18 1 1 A 68 68 LEU HA H 66 4.268 3.968 0.300 1
1 873 . 18 1 1 A 68 68 LEU CA C 66 55.593 57.592 -1.999 1
1 874 . 18 1 1 A 68 68 LEU CB C 66 42.191 41.703 0.488 1
1 877 . 18 1 1 A 68 68 LEU N N 66 117.270 118.404 -1.134 1
1 878 . 18 1 1 A 69 69 ASN H H 67 7.914 8.075 -0.161 1
1 879 . 18 1 1 A 69 69 ASN HA H 67 4.731 4.642 0.089 1
1 884 . 18 1 1 A 69 69 ASN C C 67 174.039 175.246 -1.207 1
1 885 . 18 1 1 A 69 69 ASN CA C 67 53.328 54.615 -1.287 1
1 886 . 18 1 1 A 69 69 ASN CB C 67 39.091 38.112 0.979 1
1 887 . 18 1 1 A 69 69 ASN N N 67 118.309 116.285 2.024 1
1 18 . 19 1 1 A 4 4 PRO HA H 2 4.447 4.832 -0.385 1
1 25 . 19 1 1 A 4 4 PRO C C 2 176.996 175.807 1.189 1
1 26 . 19 1 1 A 4 4 PRO CA C 2 63.494 62.480 1.014 1
1 27 . 19 1 1 A 4 4 PRO CB C 2 32.161 30.987 1.174 1
1 30 . 19 1 1 A 5 5 VAL H H 3 8.292 8.661 -0.369 1
1 31 . 19 1 1 A 5 5 VAL HA H 3 4.074 4.408 -0.334 1
1 39 . 19 1 1 A 5 5 VAL C C 3 176.376 174.844 1.532 1
1 40 . 19 1 1 A 5 5 VAL CA C 3 62.495 61.436 1.059 1
1 41 . 19 1 1 A 5 5 VAL CB C 3 32.808 31.431 1.377 1
1 43 . 19 1 1 A 5 5 VAL N N 3 121.008 124.933 -3.925 1
1 44 . 19 1 1 A 6 6 SER H H 4 8.313 8.669 -0.356 1
1 45 . 19 1 1 A 6 6 SER HA H 4 4.419 5.218 -0.799 1
1 48 . 19 1 1 A 6 6 SER C C 4 174.577 174.516 0.061 1
1 49 . 19 1 1 A 6 6 SER CA C 4 58.148 56.670 1.478 1
1 50 . 19 1 1 A 6 6 SER CB C 4 63.870 64.213 -0.343 1
1 51 . 19 1 1 A 6 6 SER N N 4 119.573 120.813 -1.240 1
1 52 . 19 1 1 A 7 7 LEU H H 5 8.326 8.604 -0.278 1
1 53 . 19 1 1 A 7 7 LEU HA H 5 4.342 4.460 -0.118 1
1 63 . 19 1 1 A 7 7 LEU C C 5 177.341 177.306 0.035 1
1 64 . 19 1 1 A 7 7 LEU CA C 5 55.388 55.348 0.040 1
1 65 . 19 1 1 A 7 7 LEU CB C 5 42.650 42.428 0.222 1
1 68 . 19 1 1 A 7 7 LEU N N 5 125.039 126.594 -1.555 1
1 69 . 19 1 1 A 8 8 SER H H 6 8.157 7.798 0.359 1
1 70 . 19 1 1 A 8 8 SER HA H 6 4.360 4.446 -0.086 1
1 73 . 19 1 1 A 8 8 SER C C 6 174.189 173.600 0.589 1
1 74 . 19 1 1 A 8 8 SER CA C 6 58.433 58.905 -0.472 1
1 75 . 19 1 1 A 8 8 SER CB C 6 63.870 62.886 0.984 1
1 76 . 19 1 1 A 8 8 SER N N 6 116.154 116.494 -0.340 1
1 77 . 19 1 1 A 9 9 TYR H H 7 8.017 7.791 0.226 1
1 78 . 19 1 1 A 9 9 TYR HA H 7 4.512 5.126 -0.614 1
1 85 . 19 1 1 A 9 9 TYR C C 7 175.520 174.771 0.749 1
1 86 . 19 1 1 A 9 9 TYR CA C 7 58.008 55.858 2.150 1
1 87 . 19 1 1 A 9 9 TYR CB C 7 38.956 40.535 -1.579 1
1 90 . 19 1 1 A 9 9 TYR N N 7 122.213 121.572 0.641 1
1 91 . 19 1 1 A 10 10 ARG H H 8 8.152 8.579 -0.427 1
1 92 . 19 1 1 A 10 10 ARG HA H 8 4.260 4.139 0.121 1
1 99 . 19 1 1 A 10 10 ARG C C 8 175.918 176.256 -0.338 1
1 100 . 19 1 1 A 10 10 ARG CA C 8 56.104 57.981 -1.877 1
1 101 . 19 1 1 A 10 10 ARG CB C 8 30.875 30.373 0.502 1
1 104 . 19 1 1 A 10 10 ARG N N 8 122.182 122.668 -0.486 1
1 105 . 19 1 1 A 11 11 CYS H H 9 8.132 7.787 0.345 1
1 106 . 19 1 1 A 11 11 CYS HA H 9 4.935 4.868 0.067 1
1 109 . 19 1 1 A 11 11 CYS C C 9 173.615 173.809 -0.194 1
1 110 . 19 1 1 A 11 11 CYS CA C 9 53.127 54.790 -1.663 1
1 111 . 19 1 1 A 11 11 CYS CB C 9 40.201 42.889 -2.688 1
1 112 . 19 1 1 A 11 11 CYS N N 9 121.280 117.492 3.788 1
1 113 . 19 1 1 A 12 12 PRO HA H 10 4.290 4.541 -0.251 1
1 120 . 19 1 1 A 12 12 PRO C C 10 177.703 176.399 1.304 1
1 121 . 19 1 1 A 12 12 PRO CA C 10 64.835 64.813 0.022 1
1 122 . 19 1 1 A 12 12 PRO CB C 10 32.484 31.803 0.681 1
1 125 . 19 1 1 A 13 13 CYS H H 11 8.300 7.597 0.703 1
1 126 . 19 1 1 A 13 13 CYS HA H 11 4.891 4.796 0.095 1
1 129 . 19 1 1 A 13 13 CYS C C 11 174.202 172.189 2.013 1
1 130 . 19 1 1 A 13 13 CYS CA C 11 53.480 55.465 -1.985 1
1 131 . 19 1 1 A 13 13 CYS CB C 11 39.603 45.546 -5.943 1
1 132 . 19 1 1 A 13 13 CYS N N 11 114.161 113.581 0.580 1
1 133 . 19 1 1 A 14 14 ARG HA H 12 3.963 4.087 -0.124 1
1 140 . 19 1 1 A 14 14 ARG C C 12 175.202 175.504 -0.302 1
1 141 . 19 1 1 A 14 14 ARG CA C 12 57.293 56.505 0.788 1
1 142 . 19 1 1 A 14 14 ARG CB C 12 31.099 31.838 -0.739 1
1 145 . 19 1 1 A 15 15 PHE H H 13 7.543 7.663 -0.120 1
1 146 . 19 1 1 A 15 15 PHE HA H 13 4.496 4.505 -0.009 1
1 154 . 19 1 1 A 15 15 PHE C C 13 174.226 174.472 -0.246 1
1 155 . 19 1 1 A 15 15 PHE CA C 13 55.971 56.714 -0.743 1
1 156 . 19 1 1 A 15 15 PHE CB C 13 41.032 38.712 2.320 1
1 160 . 19 1 1 A 15 15 PHE N N 13 116.175 117.092 -0.917 1
1 161 . 19 1 1 A 16 16 PHE H H 14 8.305 8.766 -0.461 1
1 162 . 19 1 1 A 16 16 PHE HA H 14 4.812 4.941 -0.129 1
1 170 . 19 1 1 A 16 16 PHE C C 14 175.247 176.786 -1.539 1
1 171 . 19 1 1 A 16 16 PHE CA C 14 55.559 57.328 -1.769 1
1 172 . 19 1 1 A 16 16 PHE CB C 14 41.220 40.725 0.495 1
1 176 . 19 1 1 A 16 16 PHE N N 14 119.656 123.817 -4.161 1
1 177 . 19 1 1 A 17 17 GLU H H 15 8.879 9.706 -0.827 1
1 178 . 19 1 1 A 17 17 GLU HA H 15 4.536 4.015 0.521 1
1 183 . 19 1 1 A 17 17 GLU C C 15 176.747 176.660 0.087 1
1 184 . 19 1 1 A 17 17 GLU CA C 15 56.012 59.315 -3.303 1
1 185 . 19 1 1 A 17 17 GLU CB C 15 30.876 29.260 1.616 1
1 187 . 19 1 1 A 17 17 GLU N N 15 122.563 124.393 -1.830 1
1 188 . 19 1 1 A 18 18 SER H H 16 8.810 8.323 0.487 1
1 189 . 19 1 1 A 18 18 SER HA H 16 4.673 4.253 0.420 1
1 192 . 19 1 1 A 18 18 SER C C 16 174.278 173.858 0.420 1
1 193 . 19 1 1 A 18 18 SER CA C 16 59.799 59.770 0.029 1
1 194 . 19 1 1 A 18 18 SER CB C 16 63.999 61.239 2.760 1
1 195 . 19 1 1 A 18 18 SER N N 16 119.679 114.832 4.847 1
1 196 . 19 1 1 A 19 19 HIS H H 17 8.712 7.967 0.745 1
1 197 . 19 1 1 A 19 19 HIS HA H 17 4.777 4.778 -0.001 1
1 202 . 19 1 1 A 19 19 HIS C C 17 174.580 175.172 -0.592 1
1 203 . 19 1 1 A 19 19 HIS CA C 17 56.240 55.383 0.857 1
1 204 . 19 1 1 A 19 19 HIS CB C 17 29.896 30.274 -0.378 1
1 207 . 19 1 1 A 19 19 HIS N N 17 120.269 120.416 -0.147 1
1 208 . 19 1 1 A 20 20 VAL H H 18 7.145 7.690 -0.545 1
1 209 . 19 1 1 A 20 20 VAL HA H 18 4.132 4.187 -0.055 1
1 217 . 19 1 1 A 20 20 VAL C C 18 174.138 175.608 -1.470 1
1 218 . 19 1 1 A 20 20 VAL CA C 18 61.605 61.968 -0.363 1
1 219 . 19 1 1 A 20 20 VAL CB C 18 34.102 32.739 1.363 1
1 221 . 19 1 1 A 20 20 VAL N N 18 120.100 119.916 0.184 1
1 222 . 19 1 1 A 21 21 ALA H H 19 8.554 8.485 0.069 1
1 223 . 19 1 1 A 21 21 ALA HA H 19 4.353 4.388 -0.035 1
1 227 . 19 1 1 A 21 21 ALA C C 19 177.514 177.586 -0.072 1
1 228 . 19 1 1 A 21 21 ALA CA C 19 50.666 49.980 0.686 1
1 229 . 19 1 1 A 21 21 ALA CB C 19 19.648 21.564 -1.916 1
1 230 . 19 1 1 A 21 21 ALA N N 19 131.180 130.574 0.606 1
1 231 . 19 1 1 A 22 22 ARG H H 20 7.813 7.973 -0.160 1
1 232 . 19 1 1 A 22 22 ARG HA H 20 2.621 2.735 -0.114 1
1 239 . 19 1 1 A 22 22 ARG C C 20 178.531 177.314 1.217 1
1 240 . 19 1 1 A 22 22 ARG CA C 20 59.155 58.363 0.792 1
1 241 . 19 1 1 A 22 22 ARG CB C 20 29.167 29.174 -0.007 1
1 244 . 19 1 1 A 22 22 ARG N N 20 124.436 119.900 4.536 1
1 245 . 19 1 1 A 23 23 ALA H H 21 8.191 7.380 0.811 1
1 246 . 19 1 1 A 23 23 ALA HA H 21 4.023 4.041 -0.018 1
1 250 . 19 1 1 A 23 23 ALA C C 21 177.743 178.053 -0.310 1
1 251 . 19 1 1 A 23 23 ALA CA C 21 53.809 53.272 0.537 1
1 252 . 19 1 1 A 23 23 ALA CB C 21 18.712 18.435 0.277 1
1 253 . 19 1 1 A 23 23 ALA N N 21 117.354 120.802 -3.448 1
1 254 . 19 1 1 A 24 24 ASN H H 22 7.738 7.934 -0.196 1
1 255 . 19 1 1 A 24 24 ASN HA H 22 4.928 4.766 0.162 1
1 260 . 19 1 1 A 24 24 ASN C C 22 174.889 174.938 -0.049 1
1 261 . 19 1 1 A 24 24 ASN CA C 22 52.590 52.492 0.098 1
1 262 . 19 1 1 A 24 24 ASN CB C 22 40.335 38.811 1.524 1
1 263 . 19 1 1 A 24 24 ASN N N 22 112.797 115.154 -2.357 1
1 265 . 19 1 1 A 25 25 VAL H H 23 7.438 7.349 0.089 1
1 266 . 19 1 1 A 25 25 VAL HA H 23 4.349 4.474 -0.125 1
1 274 . 19 1 1 A 25 25 VAL C C 23 174.594 175.455 -0.861 1
1 275 . 19 1 1 A 25 25 VAL CA C 23 62.406 60.362 2.044 1
1 276 . 19 1 1 A 25 25 VAL CB C 23 33.445 33.719 -0.274 1
1 278 . 19 1 1 A 25 25 VAL N N 23 118.653 119.874 -1.221 1
1 279 . 19 1 1 A 26 26 LYS H H 24 9.262 9.415 -0.153 1
1 280 . 19 1 1 A 26 26 LYS HA H 24 4.394 4.377 0.017 1
1 289 . 19 1 1 A 26 26 LYS C C 24 175.247 175.781 -0.534 1
1 290 . 19 1 1 A 26 26 LYS CA C 24 56.483 57.428 -0.945 1
1 291 . 19 1 1 A 26 26 LYS CB C 24 35.022 33.877 1.145 1
1 295 . 19 1 1 A 26 26 LYS N N 24 125.308 130.175 -4.867 1
1 296 . 19 1 1 A 27 27 HIS H H 25 7.749 7.602 0.147 1
1 297 . 19 1 1 A 27 27 HIS HA H 25 4.625 4.933 -0.308 1
1 302 . 19 1 1 A 27 27 HIS C C 25 173.157 172.805 0.352 1
1 303 . 19 1 1 A 27 27 HIS CA C 25 55.916 55.433 0.483 1
1 304 . 19 1 1 A 27 27 HIS CB C 25 32.808 33.013 -0.205 1
1 307 . 19 1 1 A 27 27 HIS N N 25 115.509 117.308 -1.799 1
1 308 . 19 1 1 A 28 28 LEU H H 26 8.117 8.745 -0.628 1
1 309 . 19 1 1 A 28 28 LEU HA H 26 4.990 5.169 -0.179 1
1 319 . 19 1 1 A 28 28 LEU C C 26 175.514 175.388 0.126 1
1 320 . 19 1 1 A 28 28 LEU CA C 26 54.662 53.588 1.074 1
1 321 . 19 1 1 A 28 28 LEU CB C 26 45.594 44.704 0.890 1
1 325 . 19 1 1 A 29 29 LYS H H 27 9.028 9.585 -0.557 1
1 326 . 19 1 1 A 29 29 LYS HA H 27 4.585 4.899 -0.314 1
1 335 . 19 1 1 A 29 29 LYS C C 27 173.758 174.420 -0.662 1
1 336 . 19 1 1 A 29 29 LYS CA C 27 54.945 55.069 -0.124 1
1 337 . 19 1 1 A 29 29 LYS CB C 27 36.358 35.430 0.928 1
1 341 . 19 1 1 A 29 29 LYS N N 27 122.904 125.896 -2.992 1
1 342 . 19 1 1 A 30 30 ILE H H 28 8.540 8.743 -0.203 1
1 343 . 19 1 1 A 30 30 ILE HA H 28 4.626 4.867 -0.241 1
1 353 . 19 1 1 A 30 30 ILE C C 28 175.988 174.521 1.467 1
1 354 . 19 1 1 A 30 30 ILE CA C 28 60.122 60.140 -0.018 1
1 355 . 19 1 1 A 30 30 ILE CB C 28 38.795 40.632 -1.837 1
1 359 . 19 1 1 A 30 30 ILE N N 28 123.517 127.971 -4.454 1
1 360 . 19 1 1 A 31 31 LEU H H 29 8.961 9.326 -0.365 1
1 361 . 19 1 1 A 31 31 LEU HA H 29 4.564 5.178 -0.614 1
1 371 . 19 1 1 A 31 31 LEU C C 29 176.005 176.014 -0.009 1
1 372 . 19 1 1 A 31 31 LEU CA C 29 53.975 53.345 0.630 1
1 373 . 19 1 1 A 31 31 LEU CB C 29 43.485 45.551 -2.066 1
1 376 . 19 1 1 A 31 31 LEU N N 29 128.881 130.830 -1.949 1
1 377 . 19 1 1 A 32 32 ASN H H 30 8.763 8.931 -0.168 1
1 378 . 19 1 1 A 32 32 ASN HA H 30 4.991 5.318 -0.327 1
1 383 . 19 1 1 A 32 32 ASN C C 30 174.462 174.969 -0.507 1
1 384 . 19 1 1 A 32 32 ASN CA C 30 52.413 52.594 -0.181 1
1 385 . 19 1 1 A 32 32 ASN CB C 30 39.238 39.752 -0.514 1
1 386 . 19 1 1 A 32 32 ASN N N 30 124.019 124.659 -0.640 1
1 388 . 19 1 1 A 33 33 THR H H 31 8.170 8.723 -0.553 1
1 389 . 19 1 1 A 33 33 THR HA H 31 4.628 4.772 -0.144 1
1 394 . 19 1 1 A 33 33 THR CA C 31 59.475 58.974 0.501 1
1 395 . 19 1 1 A 33 33 THR CB C 31 70.435 71.438 -1.003 1
1 397 . 19 1 1 A 33 33 THR N N 31 119.276 116.064 3.212 1
1 398 . 19 1 1 A 34 34 PRO HA H 32 4.223 4.425 -0.202 1
1 405 . 19 1 1 A 34 34 PRO C C 32 176.814 176.995 -0.181 1
1 406 . 19 1 1 A 34 34 PRO CA C 32 64.445 64.855 -0.410 1
1 407 . 19 1 1 A 34 34 PRO CB C 32 32.161 32.056 0.105 1
1 410 . 19 1 1 A 35 35 ASN H H 33 8.574 8.450 0.124 1
1 411 . 19 1 1 A 35 35 ASN HA H 33 4.320 4.860 -0.540 1
1 416 . 19 1 1 A 35 35 ASN C C 33 174.344 174.133 0.211 1
1 417 . 19 1 1 A 35 35 ASN CA C 33 54.945 53.018 1.927 1
1 418 . 19 1 1 A 35 35 ASN CB C 33 38.122 39.900 -1.778 1
1 419 . 19 1 1 A 35 35 ASN N N 33 113.042 113.693 -0.651 1
1 421 . 19 1 1 A 36 36 CYS H H 34 7.554 7.559 -0.005 1
1 422 . 19 1 1 A 36 36 CYS HA H 34 4.891 4.983 -0.092 1
1 425 . 19 1 1 A 36 36 CYS C C 34 173.880 172.617 1.263 1
1 426 . 19 1 1 A 36 36 CYS CA C 34 54.622 55.063 -0.441 1
1 427 . 19 1 1 A 36 36 CYS CB C 34 44.780 46.994 -2.214 1
1 428 . 19 1 1 A 36 36 CYS N N 34 116.301 116.361 -0.060 1
1 429 . 19 1 1 A 37 37 ALA H H 35 8.418 8.474 -0.056 1
1 430 . 19 1 1 A 37 37 ALA HA H 35 4.237 4.388 -0.151 1
1 434 . 19 1 1 A 37 37 ALA C C 35 176.677 176.703 -0.026 1
1 435 . 19 1 1 A 37 37 ALA CA C 35 52.413 51.585 0.828 1
1 436 . 19 1 1 A 37 37 ALA CB C 35 18.992 20.117 -1.125 1
1 437 . 19 1 1 A 37 37 ALA N N 35 125.001 124.222 0.779 1
1 438 . 19 1 1 A 38 38 LEU H H 36 8.060 8.421 -0.361 1
1 439 . 19 1 1 A 38 38 LEU HA H 36 4.203 4.963 -0.760 1
1 449 . 19 1 1 A 38 38 LEU C C 36 176.194 175.831 0.363 1
1 450 . 19 1 1 A 38 38 LEU CA C 36 56.563 53.344 3.219 1
1 451 . 19 1 1 A 38 38 LEU CB C 36 42.488 43.644 -1.156 1
1 455 . 19 1 1 A 38 38 LEU N N 36 121.548 119.363 2.185 1
1 456 . 19 1 1 A 39 39 GLN H H 37 8.434 8.752 -0.318 1
1 457 . 19 1 1 A 39 39 GLN HA H 37 4.623 5.150 -0.527 1
1 464 . 19 1 1 A 39 39 GLN C C 37 173.581 174.557 -0.976 1
1 465 . 19 1 1 A 39 39 GLN CA C 37 54.109 54.284 -0.175 1
1 466 . 19 1 1 A 39 39 GLN CB C 37 32.286 32.360 -0.074 1
1 468 . 19 1 1 A 39 39 GLN N N 37 123.271 120.942 2.329 1
1 470 . 19 1 1 A 40 40 ILE H H 38 9.408 8.590 0.818 1
1 471 . 19 1 1 A 40 40 ILE HA H 38 4.735 4.876 -0.141 1
1 481 . 19 1 1 A 40 40 ILE C C 38 174.547 174.926 -0.379 1
1 482 . 19 1 1 A 40 40 ILE CA C 38 60.122 60.110 0.012 1
1 483 . 19 1 1 A 40 40 ILE CB C 38 38.899 40.151 -1.252 1
1 487 . 19 1 1 A 40 40 ILE N N 38 124.702 124.592 0.110 1
1 488 . 19 1 1 A 41 41 VAL H H 39 8.826 9.262 -0.436 1
1 489 . 19 1 1 A 41 41 VAL HA H 39 5.041 5.037 0.004 1
1 497 . 19 1 1 A 41 41 VAL C C 39 174.772 175.124 -0.352 1
1 498 . 19 1 1 A 41 41 VAL CA C 39 60.111 61.252 -1.141 1
1 499 . 19 1 1 A 41 41 VAL CB C 39 34.767 34.138 0.629 1
1 501 . 19 1 1 A 41 41 VAL N N 39 124.047 126.402 -2.355 1
1 502 . 19 1 1 A 42 42 ALA H H 40 9.299 9.304 -0.005 1
1 503 . 19 1 1 A 42 42 ALA HA H 40 5.276 6.025 -0.749 1
1 507 . 19 1 1 A 42 42 ALA C C 40 175.955 175.029 0.926 1
1 508 . 19 1 1 A 42 42 ALA CA C 40 50.093 50.499 -0.406 1
1 509 . 19 1 1 A 42 42 ALA CB C 40 23.800 23.745 0.055 1
1 510 . 19 1 1 A 42 42 ALA N N 40 126.567 128.599 -2.032 1
1 511 . 19 1 1 A 43 43 ARG H H 41 8.398 9.003 -0.605 1
1 512 . 19 1 1 A 43 43 ARG HA H 41 5.131 5.271 -0.140 1
1 519 . 19 1 1 A 43 43 ARG C C 41 176.184 175.701 0.483 1
1 520 . 19 1 1 A 43 43 ARG CA C 41 53.900 54.456 -0.556 1
1 521 . 19 1 1 A 43 43 ARG CB C 41 32.161 33.693 -1.532 1
1 524 . 19 1 1 A 43 43 ARG N N 41 118.991 121.620 -2.629 1
1 525 . 19 1 1 A 44 44 LEU H H 42 8.988 9.252 -0.264 1
1 526 . 19 1 1 A 44 44 LEU HA H 42 4.925 4.734 0.191 1
1 536 . 19 1 1 A 44 44 LEU C C 42 178.369 177.018 1.351 1
1 537 . 19 1 1 A 44 44 LEU CA C 42 54.329 54.841 -0.512 1
1 538 . 19 1 1 A 44 44 LEU CB C 42 41.497 42.284 -0.787 1
1 542 . 19 1 1 A 44 44 LEU N N 42 125.637 127.777 -2.140 1
1 543 . 19 1 1 A 45 45 LYS H H 43 8.470 9.226 -0.756 1
1 544 . 19 1 1 A 45 45 LYS HA H 43 3.823 4.152 -0.329 1
1 553 . 19 1 1 A 45 45 LYS CA C 43 59.340 58.629 0.711 1
1 554 . 19 1 1 A 45 45 LYS CB C 43 33.445 33.047 0.398 1
1 558 . 19 1 1 A 45 45 LYS N N 43 120.489 122.599 -2.110 1
1 559 . 19 1 1 A 46 46 ASN HA H 44 4.421 4.433 -0.012 1
1 564 . 19 1 1 A 46 46 ASN C C 44 175.970 176.883 -0.913 1
1 565 . 19 1 1 A 46 46 ASN CA C 44 55.457 56.103 -0.646 1
1 566 . 19 1 1 A 46 46 ASN CB C 44 37.507 37.497 0.010 1
1 568 . 19 1 1 A 47 47 ASN H H 45 7.483 7.911 -0.428 1
1 569 . 19 1 1 A 47 47 ASN HA H 45 4.706 4.800 -0.094 1
1 574 . 19 1 1 A 47 47 ASN C C 45 175.461 175.092 0.369 1
1 575 . 19 1 1 A 47 47 ASN CA C 45 52.769 52.684 0.085 1
1 576 . 19 1 1 A 47 47 ASN CB C 45 39.194 39.484 -0.290 1
1 577 . 19 1 1 A 47 47 ASN N N 45 115.277 115.577 -0.300 1
1 579 . 19 1 1 A 48 48 ASN H H 46 7.995 8.307 -0.312 1
1 580 . 19 1 1 A 48 48 ASN HA H 46 4.661 4.831 -0.170 1
1 585 . 19 1 1 A 48 48 ASN C C 46 174.812 174.748 0.064 1
1 586 . 19 1 1 A 48 48 ASN CA C 46 54.298 54.607 -0.309 1
1 587 . 19 1 1 A 48 48 ASN CB C 46 39.103 38.145 0.958 1
1 588 . 19 1 1 A 48 48 ASN N N 46 116.416 117.050 -0.634 1
1 590 . 19 1 1 A 49 49 ARG H H 47 7.940 7.809 0.131 1
1 591 . 19 1 1 A 49 49 ARG HA H 47 4.205 4.549 -0.344 1
1 598 . 19 1 1 A 49 49 ARG C C 47 175.719 175.054 0.665 1
1 599 . 19 1 1 A 49 49 ARG CA C 47 57.084 55.738 1.346 1
1 600 . 19 1 1 A 49 49 ARG CB C 47 31.792 31.598 0.194 1
1 603 . 19 1 1 A 49 49 ARG N N 47 120.017 117.819 2.198 1
1 604 . 19 1 1 A 50 50 GLN H H 48 8.641 8.665 -0.024 1
1 605 . 19 1 1 A 50 50 GLN HA H 48 5.240 5.055 0.185 1
1 612 . 19 1 1 A 50 50 GLN C C 48 175.697 175.731 -0.034 1
1 613 . 19 1 1 A 50 50 GLN CA C 48 55.454 55.284 0.170 1
1 614 . 19 1 1 A 50 50 GLN CB C 48 30.959 30.111 0.848 1
1 616 . 19 1 1 A 50 50 GLN N N 48 123.029 123.013 0.016 1
1 618 . 19 1 1 A 51 51 VAL H H 49 9.018 9.822 -0.804 1
1 619 . 19 1 1 A 51 51 VAL HA H 49 4.745 5.000 -0.255 1
1 627 . 19 1 1 A 51 51 VAL C C 49 174.561 174.671 -0.110 1
1 628 . 19 1 1 A 51 51 VAL CA C 49 59.266 58.939 0.327 1
1 629 . 19 1 1 A 51 51 VAL CB C 49 35.845 35.724 0.121 1
1 632 . 19 1 1 A 51 51 VAL N N 49 119.358 118.491 0.867 1
1 633 . 19 1 1 A 52 52 CYS H H 50 8.895 8.806 0.089 1
1 634 . 19 1 1 A 52 52 CYS HA H 50 5.636 5.493 0.143 1
1 637 . 19 1 1 A 52 52 CYS C C 50 174.469 172.670 1.799 1
1 638 . 19 1 1 A 52 52 CYS CA C 50 56.377 54.592 1.785 1
1 639 . 19 1 1 A 52 52 CYS CB C 50 44.680 44.085 0.595 1
1 640 . 19 1 1 A 52 52 CYS N N 50 120.834 118.887 1.947 1
1 641 . 19 1 1 A 53 53 ILE H H 51 8.615 9.906 -1.291 1
1 642 . 19 1 1 A 53 53 ILE HA H 51 4.512 4.592 -0.080 1
1 652 . 19 1 1 A 53 53 ILE C C 51 174.137 174.506 -0.369 1
1 653 . 19 1 1 A 53 53 ILE CA C 51 59.397 60.155 -0.758 1
1 654 . 19 1 1 A 53 53 ILE CB C 51 39.603 40.315 -0.712 1
1 658 . 19 1 1 A 53 53 ILE N N 51 122.392 125.080 -2.688 1
1 659 . 19 1 1 A 54 54 ASP H H 52 7.766 8.280 -0.514 1
1 660 . 19 1 1 A 54 54 ASP HA H 52 3.572 3.689 -0.117 1
1 663 . 19 1 1 A 54 54 ASP CA C 52 51.578 51.332 0.246 1
1 664 . 19 1 1 A 54 54 ASP CB C 52 42.381 41.973 0.408 1
1 665 . 19 1 1 A 54 54 ASP N N 52 126.398 126.645 -0.247 1
1 666 . 19 1 1 A 55 55 PRO HA H 53 4.011 4.250 -0.239 1
1 673 . 19 1 1 A 55 55 PRO C C 53 176.274 177.493 -1.219 1
1 674 . 19 1 1 A 55 55 PRO CA C 53 63.546 64.012 -0.466 1
1 675 . 19 1 1 A 55 55 PRO CB C 53 32.270 31.652 0.618 1
1 678 . 19 1 1 A 56 56 LYS H H 54 8.053 7.700 0.353 1
1 679 . 19 1 1 A 56 56 LYS HA H 54 3.982 4.186 -0.204 1
1 688 . 19 1 1 A 56 56 LYS C C 54 177.867 176.758 1.109 1
1 689 . 19 1 1 A 56 56 LYS CA C 54 56.189 57.133 -0.944 1
1 690 . 19 1 1 A 56 56 LYS CB C 54 31.649 32.467 -0.818 1
1 694 . 19 1 1 A 56 56 LYS N N 54 115.161 116.531 -1.370 1
1 695 . 19 1 1 A 57 57 LEU H H 55 7.145 7.096 0.049 1
1 696 . 19 1 1 A 57 57 LEU HA H 55 4.027 4.158 -0.131 1
1 706 . 19 1 1 A 57 57 LEU C C 55 179.221 177.332 1.889 1
1 707 . 19 1 1 A 57 57 LEU CA C 55 14.371 55.534 -41.163 1
1 708 . 19 1 1 A 57 57 LEU CB C 55 41.739 42.076 -0.337 1
1 712 . 19 1 1 A 57 57 LEU N N 55 120.921 121.524 -0.603 1
1 713 . 19 1 1 A 58 58 LYS H H 56 8.798 8.829 -0.031 1
1 714 . 19 1 1 A 58 58 LYS HA H 56 3.937 3.908 0.029 1
1 723 . 19 1 1 A 58 58 LYS C C 56 179.161 178.491 0.670 1
1 724 . 19 1 1 A 58 58 LYS CA C 56 60.116 59.280 0.836 1
1 725 . 19 1 1 A 58 58 LYS CB C 56 32.100 32.222 -0.122 1
1 729 . 19 1 1 A 58 58 LYS N N 56 125.449 124.940 0.509 1
1 730 . 19 1 1 A 59 59 TRP H H 57 7.821 8.235 -0.414 1
1 731 . 19 1 1 A 59 59 TRP HA H 57 4.636 4.537 0.099 1
1 740 . 19 1 1 A 59 59 TRP C C 57 178.642 179.260 -0.618 1
1 741 . 19 1 1 A 59 59 TRP CA C 57 58.388 59.651 -1.263 1
1 742 . 19 1 1 A 59 59 TRP CB C 57 27.954 27.920 0.034 1
1 748 . 19 1 1 A 59 59 TRP N N 57 113.650 119.430 -5.780 1
1 750 . 19 1 1 A 60 60 ILE H H 58 6.340 7.258 -0.918 1
1 751 . 19 1 1 A 60 60 ILE HA H 58 3.620 3.220 0.400 1
1 761 . 19 1 1 A 60 60 ILE C C 58 177.104 177.679 -0.575 1
1 762 . 19 1 1 A 60 60 ILE CA C 58 61.605 64.328 -2.723 1
1 763 . 19 1 1 A 60 60 ILE CB C 58 36.043 36.215 -0.172 1
1 767 . 19 1 1 A 60 60 ILE N N 58 123.265 122.068 1.197 1
1 768 . 19 1 1 A 61 61 GLN H H 59 7.710 8.129 -0.419 1
1 769 . 19 1 1 A 61 61 GLN HA H 59 3.824 3.824 0.000 1
1 776 . 19 1 1 A 61 61 GLN C C 59 178.933 178.955 -0.022 1
1 777 . 19 1 1 A 61 61 GLN CA C 59 59.663 59.233 0.430 1
1 778 . 19 1 1 A 61 61 GLN CB C 59 27.972 28.198 -0.226 1
1 780 . 19 1 1 A 61 61 GLN N N 59 120.515 119.298 1.217 1
1 782 . 19 1 1 A 62 62 GLU H H 60 8.042 7.878 0.164 1
1 783 . 19 1 1 A 62 62 GLU HA H 60 4.093 4.062 0.031 1
1 788 . 19 1 1 A 62 62 GLU C C 60 178.539 178.735 -0.196 1
1 789 . 19 1 1 A 62 62 GLU CA C 60 59.152 59.382 -0.230 1
1 790 . 19 1 1 A 62 62 GLU CB C 60 29.896 29.443 0.453 1
1 792 . 19 1 1 A 62 62 GLU N N 60 117.976 120.469 -2.493 1
1 793 . 19 1 1 A 63 63 TYR H H 61 7.882 8.493 -0.611 1
1 794 . 19 1 1 A 63 63 TYR HA H 61 4.214 4.151 0.063 1
1 801 . 19 1 1 A 63 63 TYR C C 61 178.157 177.287 0.870 1
1 802 . 19 1 1 A 63 63 TYR CA C 61 61.281 61.478 -0.197 1
1 803 . 19 1 1 A 63 63 TYR CB C 61 38.956 38.636 0.320 1
1 806 . 19 1 1 A 63 63 TYR N N 61 120.743 121.897 -1.154 1
1 807 . 19 1 1 A 64 64 LEU H H 62 8.438 8.582 -0.144 1
1 808 . 19 1 1 A 64 64 LEU HA H 62 3.886 3.612 0.274 1
1 818 . 19 1 1 A 64 64 LEU C C 62 178.678 179.504 -0.826 1
1 819 . 19 1 1 A 64 64 LEU CA C 62 57.619 58.111 -0.492 1
1 820 . 19 1 1 A 64 64 LEU CB C 62 41.868 41.537 0.331 1
1 824 . 19 1 1 A 64 64 LEU N N 62 119.052 119.951 -0.899 1
1 825 . 19 1 1 A 65 65 GLU H H 63 7.884 8.495 -0.611 1
1 826 . 19 1 1 A 65 65 GLU HA H 63 3.998 4.025 -0.027 1
1 831 . 19 1 1 A 65 65 GLU C C 63 178.447 177.506 0.941 1
1 832 . 19 1 1 A 65 65 GLU CA C 63 59.143 58.495 0.648 1
1 833 . 19 1 1 A 65 65 GLU CB C 63 29.708 28.067 1.641 1
1 835 . 19 1 1 A 65 65 GLU N N 63 118.310 118.250 0.060 1
1 836 . 19 1 1 A 66 66 LYS H H 64 7.576 8.330 -0.754 1
1 837 . 19 1 1 A 66 66 LYS HA H 64 4.208 4.219 -0.011 1
1 846 . 19 1 1 A 66 66 LYS C C 64 177.941 177.072 0.869 1
1 847 . 19 1 1 A 66 66 LYS CA C 64 57.543 56.672 0.871 1
1 848 . 19 1 1 A 66 66 LYS CB C 64 32.620 32.265 0.355 1
1 852 . 19 1 1 A 66 66 LYS N N 64 117.398 118.225 -0.827 1
1 853 . 19 1 1 A 67 67 ALA H H 65 7.934 7.348 0.586 1
1 854 . 19 1 1 A 67 67 ALA HA H 65 4.106 4.290 -0.184 1
1 858 . 19 1 1 A 67 67 ALA C C 65 178.624 178.487 0.137 1
1 859 . 19 1 1 A 67 67 ALA CA C 65 53.790 52.769 1.021 1
1 860 . 19 1 1 A 67 67 ALA CB C 65 19.106 19.567 -0.461 1
1 861 . 19 1 1 A 67 67 ALA N N 65 121.561 120.598 0.963 1
1 862 . 19 1 1 A 68 68 LEU H H 66 7.835 7.878 -0.043 1
1 863 . 19 1 1 A 68 68 LEU HA H 66 4.268 4.101 0.167 1
1 873 . 19 1 1 A 68 68 LEU CA C 66 55.593 57.287 -1.694 1
1 874 . 19 1 1 A 68 68 LEU CB C 66 42.191 42.127 0.064 1
1 877 . 19 1 1 A 68 68 LEU N N 66 117.270 118.961 -1.691 1
1 878 . 19 1 1 A 69 69 ASN H H 67 7.914 7.856 0.058 1
1 879 . 19 1 1 A 69 69 ASN HA H 67 4.731 4.406 0.325 1
1 884 . 19 1 1 A 69 69 ASN C C 67 174.039 176.653 -2.614 1
1 885 . 19 1 1 A 69 69 ASN CA C 67 53.328 56.221 -2.893 1
1 886 . 19 1 1 A 69 69 ASN CB C 67 39.091 38.726 0.365 1
1 887 . 19 1 1 A 69 69 ASN N N 67 118.309 117.027 1.282 1
1 18 . 20 1 1 A 4 4 PRO HA H 2 4.447 4.475 -0.028 1
1 25 . 20 1 1 A 4 4 PRO C C 2 176.996 176.790 0.206 1
1 26 . 20 1 1 A 4 4 PRO CA C 2 63.494 63.238 0.256 1
1 27 . 20 1 1 A 4 4 PRO CB C 2 32.161 32.003 0.158 1
1 30 . 20 1 1 A 5 5 VAL H H 3 8.292 8.596 -0.304 1
1 31 . 20 1 1 A 5 5 VAL HA H 3 4.074 4.044 0.030 1
1 39 . 20 1 1 A 5 5 VAL C C 3 176.376 175.900 0.476 1
1 40 . 20 1 1 A 5 5 VAL CA C 3 62.495 61.959 0.536 1
1 41 . 20 1 1 A 5 5 VAL CB C 3 32.808 30.939 1.869 1
1 43 . 20 1 1 A 5 5 VAL N N 3 121.008 123.471 -2.463 1
1 44 . 20 1 1 A 6 6 SER H H 4 8.313 8.865 -0.552 1
1 45 . 20 1 1 A 6 6 SER HA H 4 4.419 4.614 -0.195 1
1 48 . 20 1 1 A 6 6 SER C C 4 174.577 174.389 0.188 1
1 49 . 20 1 1 A 6 6 SER CA C 4 58.148 60.733 -2.585 1
1 50 . 20 1 1 A 6 6 SER CB C 4 63.870 64.531 -0.661 1
1 51 . 20 1 1 A 6 6 SER N N 4 119.573 122.470 -2.897 1
1 52 . 20 1 1 A 7 7 LEU H H 5 8.326 7.757 0.569 1
1 53 . 20 1 1 A 7 7 LEU HA H 5 4.342 4.660 -0.318 1
1 63 . 20 1 1 A 7 7 LEU C C 5 177.341 175.518 1.823 1
1 64 . 20 1 1 A 7 7 LEU CA C 5 55.388 54.462 0.926 1
1 65 . 20 1 1 A 7 7 LEU CB C 5 42.650 43.288 -0.638 1
1 68 . 20 1 1 A 7 7 LEU N N 5 125.039 120.304 4.735 1
1 69 . 20 1 1 A 8 8 SER H H 6 8.157 8.671 -0.514 1
1 70 . 20 1 1 A 8 8 SER HA H 6 4.360 5.243 -0.883 1
1 73 . 20 1 1 A 8 8 SER C C 6 174.189 172.361 1.828 1
1 74 . 20 1 1 A 8 8 SER CA C 6 58.433 57.744 0.689 1
1 75 . 20 1 1 A 8 8 SER CB C 6 63.870 64.921 -1.051 1
1 76 . 20 1 1 A 8 8 SER N N 6 116.154 119.666 -3.512 1
1 77 . 20 1 1 A 9 9 TYR H H 7 8.017 9.210 -1.193 1
1 78 . 20 1 1 A 9 9 TYR HA H 7 4.512 5.192 -0.680 1
1 85 . 20 1 1 A 9 9 TYR C C 7 175.520 174.295 1.225 1
1 86 . 20 1 1 A 9 9 TYR CA C 7 58.008 56.490 1.518 1
1 87 . 20 1 1 A 9 9 TYR CB C 7 38.956 41.047 -2.091 1
1 90 . 20 1 1 A 9 9 TYR N N 7 122.213 128.145 -5.932 1
1 91 . 20 1 1 A 10 10 ARG H H 8 8.152 8.306 -0.154 1
1 92 . 20 1 1 A 10 10 ARG HA H 8 4.260 4.107 0.153 1
1 99 . 20 1 1 A 10 10 ARG C C 8 175.918 175.108 0.810 1
1 100 . 20 1 1 A 10 10 ARG CA C 8 56.104 54.592 1.512 1
1 101 . 20 1 1 A 10 10 ARG CB C 8 30.875 30.404 0.471 1
1 104 . 20 1 1 A 10 10 ARG N N 8 122.182 126.214 -4.032 1
1 105 . 20 1 1 A 11 11 CYS H H 9 8.132 7.558 0.574 1
1 106 . 20 1 1 A 11 11 CYS HA H 9 4.935 4.221 0.714 1
1 109 . 20 1 1 A 11 11 CYS C C 9 173.615 174.545 -0.930 1
1 110 . 20 1 1 A 11 11 CYS CA C 9 53.127 58.314 -5.187 1
1 111 . 20 1 1 A 11 11 CYS CB C 9 40.201 41.220 -1.019 1
1 112 . 20 1 1 A 11 11 CYS N N 9 121.280 124.762 -3.482 1
1 113 . 20 1 1 A 12 12 PRO HA H 10 4.290 4.351 -0.061 1
1 120 . 20 1 1 A 12 12 PRO C C 10 177.703 176.457 1.246 1
1 121 . 20 1 1 A 12 12 PRO CA C 10 64.835 64.583 0.252 1
1 122 . 20 1 1 A 12 12 PRO CB C 10 32.484 31.870 0.614 1
1 125 . 20 1 1 A 13 13 CYS H H 11 8.300 7.844 0.456 1
1 126 . 20 1 1 A 13 13 CYS HA H 11 4.891 5.023 -0.132 1
1 129 . 20 1 1 A 13 13 CYS C C 11 174.202 173.150 1.052 1
1 130 . 20 1 1 A 13 13 CYS CA C 11 53.480 54.918 -1.438 1
1 131 . 20 1 1 A 13 13 CYS CB C 11 39.603 44.320 -4.717 1
1 132 . 20 1 1 A 13 13 CYS N N 11 114.161 116.002 -1.841 1
1 133 . 20 1 1 A 14 14 ARG HA H 12 3.963 4.109 -0.146 1
1 140 . 20 1 1 A 14 14 ARG C C 12 175.202 175.557 -0.355 1
1 141 . 20 1 1 A 14 14 ARG CA C 12 57.293 56.460 0.833 1
1 142 . 20 1 1 A 14 14 ARG CB C 12 31.099 30.628 0.471 1
1 145 . 20 1 1 A 15 15 PHE H H 13 7.543 7.507 0.036 1
1 146 . 20 1 1 A 15 15 PHE HA H 13 4.496 4.926 -0.430 1
1 154 . 20 1 1 A 15 15 PHE C C 13 174.226 174.265 -0.039 1
1 155 . 20 1 1 A 15 15 PHE CA C 13 55.971 55.838 0.133 1
1 156 . 20 1 1 A 15 15 PHE CB C 13 41.032 42.678 -1.646 1
1 160 . 20 1 1 A 15 15 PHE N N 13 116.175 116.348 -0.173 1
1 161 . 20 1 1 A 16 16 PHE H H 14 8.305 8.961 -0.656 1
1 162 . 20 1 1 A 16 16 PHE HA H 14 4.812 5.432 -0.620 1
1 170 . 20 1 1 A 16 16 PHE C C 14 175.247 175.444 -0.197 1
1 171 . 20 1 1 A 16 16 PHE CA C 14 55.559 56.313 -0.754 1
1 172 . 20 1 1 A 16 16 PHE CB C 14 41.220 42.479 -1.259 1
1 176 . 20 1 1 A 16 16 PHE N N 14 119.656 119.729 -0.073 1
1 177 . 20 1 1 A 17 17 GLU H H 15 8.879 9.217 -0.338 1
1 178 . 20 1 1 A 17 17 GLU HA H 15 4.536 4.669 -0.133 1
1 183 . 20 1 1 A 17 17 GLU C C 15 176.747 177.319 -0.572 1
1 184 . 20 1 1 A 17 17 GLU CA C 15 56.012 55.804 0.208 1
1 185 . 20 1 1 A 17 17 GLU CB C 15 30.876 29.636 1.240 1
1 187 . 20 1 1 A 17 17 GLU N N 15 122.563 123.405 -0.842 1
1 188 . 20 1 1 A 18 18 SER H H 16 8.810 8.954 -0.144 1
1 189 . 20 1 1 A 18 18 SER HA H 16 4.673 4.430 0.243 1
1 192 . 20 1 1 A 18 18 SER C C 16 174.278 174.799 -0.521 1
1 193 . 20 1 1 A 18 18 SER CA C 16 59.799 60.598 -0.799 1
1 194 . 20 1 1 A 18 18 SER CB C 16 63.999 63.453 0.546 1
1 195 . 20 1 1 A 18 18 SER N N 16 119.679 119.777 -0.098 1
1 196 . 20 1 1 A 19 19 HIS H H 17 8.712 7.689 1.023 1
1 197 . 20 1 1 A 19 19 HIS HA H 17 4.777 4.730 0.047 1
1 202 . 20 1 1 A 19 19 HIS C C 17 174.580 174.536 0.044 1
1 203 . 20 1 1 A 19 19 HIS CA C 17 56.240 55.798 0.442 1
1 204 . 20 1 1 A 19 19 HIS CB C 17 29.896 29.217 0.679 1
1 207 . 20 1 1 A 19 19 HIS N N 17 120.269 118.792 1.477 1
1 208 . 20 1 1 A 20 20 VAL H H 18 7.145 7.810 -0.665 1
1 209 . 20 1 1 A 20 20 VAL HA H 18 4.132 4.179 -0.047 1
1 217 . 20 1 1 A 20 20 VAL C C 18 174.138 175.363 -1.225 1
1 218 . 20 1 1 A 20 20 VAL CA C 18 61.605 61.948 -0.343 1
1 219 . 20 1 1 A 20 20 VAL CB C 18 34.102 32.894 1.208 1
1 221 . 20 1 1 A 20 20 VAL N N 18 120.100 120.453 -0.353 1
1 222 . 20 1 1 A 21 21 ALA H H 19 8.554 8.438 0.116 1
1 223 . 20 1 1 A 21 21 ALA HA H 19 4.353 4.406 -0.053 1
1 227 . 20 1 1 A 21 21 ALA C C 19 177.514 177.737 -0.223 1
1 228 . 20 1 1 A 21 21 ALA CA C 19 50.666 50.044 0.622 1
1 229 . 20 1 1 A 21 21 ALA CB C 19 19.648 21.196 -1.548 1
1 230 . 20 1 1 A 21 21 ALA N N 19 131.180 130.253 0.927 1
1 231 . 20 1 1 A 22 22 ARG H H 20 7.813 8.058 -0.245 1
1 232 . 20 1 1 A 22 22 ARG HA H 20 2.621 3.031 -0.410 1
1 239 . 20 1 1 A 22 22 ARG C C 20 178.531 177.370 1.161 1
1 240 . 20 1 1 A 22 22 ARG CA C 20 59.155 58.713 0.442 1
1 241 . 20 1 1 A 22 22 ARG CB C 20 29.167 29.244 -0.077 1
1 244 . 20 1 1 A 22 22 ARG N N 20 124.436 120.432 4.004 1
1 245 . 20 1 1 A 23 23 ALA H H 21 8.191 7.504 0.687 1
1 246 . 20 1 1 A 23 23 ALA HA H 21 4.023 4.093 -0.070 1
1 250 . 20 1 1 A 23 23 ALA C C 21 177.743 177.650 0.093 1
1 251 . 20 1 1 A 23 23 ALA CA C 21 53.809 53.717 0.092 1
1 252 . 20 1 1 A 23 23 ALA CB C 21 18.712 18.270 0.442 1
1 253 . 20 1 1 A 23 23 ALA N N 21 117.354 120.594 -3.240 1
1 254 . 20 1 1 A 24 24 ASN H H 22 7.738 8.021 -0.283 1
1 255 . 20 1 1 A 24 24 ASN HA H 22 4.928 4.853 0.075 1
1 260 . 20 1 1 A 24 24 ASN C C 22 174.889 175.135 -0.246 1
1 261 . 20 1 1 A 24 24 ASN CA C 22 52.590 52.377 0.213 1
1 262 . 20 1 1 A 24 24 ASN CB C 22 40.335 38.818 1.517 1
1 263 . 20 1 1 A 24 24 ASN N N 22 112.797 115.440 -2.643 1
1 265 . 20 1 1 A 25 25 VAL H H 23 7.438 7.562 -0.124 1
1 266 . 20 1 1 A 25 25 VAL HA H 23 4.349 4.436 -0.087 1
1 274 . 20 1 1 A 25 25 VAL C C 23 174.594 175.805 -1.211 1
1 275 . 20 1 1 A 25 25 VAL CA C 23 62.406 62.171 0.235 1
1 276 . 20 1 1 A 25 25 VAL CB C 23 33.445 32.288 1.157 1
1 278 . 20 1 1 A 25 25 VAL N N 23 118.653 120.161 -1.508 1
1 279 . 20 1 1 A 26 26 LYS H H 24 9.262 9.600 -0.338 1
1 280 . 20 1 1 A 26 26 LYS HA H 24 4.394 4.272 0.122 1
1 289 . 20 1 1 A 26 26 LYS C C 24 175.247 175.594 -0.347 1
1 290 . 20 1 1 A 26 26 LYS CA C 24 56.483 57.898 -1.415 1
1 291 . 20 1 1 A 26 26 LYS CB C 24 35.022 33.766 1.256 1
1 295 . 20 1 1 A 26 26 LYS N N 24 125.308 129.655 -4.347 1
1 296 . 20 1 1 A 27 27 HIS H H 25 7.749 7.936 -0.187 1
1 297 . 20 1 1 A 27 27 HIS HA H 25 4.625 4.860 -0.235 1
1 302 . 20 1 1 A 27 27 HIS C C 25 173.157 172.778 0.379 1
1 303 . 20 1 1 A 27 27 HIS CA C 25 55.916 54.452 1.464 1
1 304 . 20 1 1 A 27 27 HIS CB C 25 32.808 33.241 -0.433 1
1 307 . 20 1 1 A 27 27 HIS N N 25 115.509 117.619 -2.110 1
1 308 . 20 1 1 A 28 28 LEU H H 26 8.117 8.713 -0.596 1
1 309 . 20 1 1 A 28 28 LEU HA H 26 4.990 5.028 -0.038 1
1 319 . 20 1 1 A 28 28 LEU C C 26 175.514 173.978 1.536 1
1 320 . 20 1 1 A 28 28 LEU CA C 26 54.662 53.890 0.772 1
1 321 . 20 1 1 A 28 28 LEU CB C 26 45.594 44.766 0.828 1
1 325 . 20 1 1 A 29 29 LYS H H 27 9.028 9.753 -0.725 1
1 326 . 20 1 1 A 29 29 LYS HA H 27 4.585 5.061 -0.476 1
1 335 . 20 1 1 A 29 29 LYS C C 27 173.758 174.979 -1.221 1
1 336 . 20 1 1 A 29 29 LYS CA C 27 54.945 54.614 0.331 1
1 337 . 20 1 1 A 29 29 LYS CB C 27 36.358 36.222 0.136 1
1 341 . 20 1 1 A 29 29 LYS N N 27 122.904 128.034 -5.130 1
1 342 . 20 1 1 A 30 30 ILE H H 28 8.540 8.896 -0.356 1
1 343 . 20 1 1 A 30 30 ILE HA H 28 4.626 4.838 -0.212 1
1 353 . 20 1 1 A 30 30 ILE C C 28 175.988 174.239 1.749 1
1 354 . 20 1 1 A 30 30 ILE CA C 28 60.122 59.893 0.229 1
1 355 . 20 1 1 A 30 30 ILE CB C 28 38.795 40.185 -1.390 1
1 359 . 20 1 1 A 30 30 ILE N N 28 123.517 127.221 -3.704 1
1 360 . 20 1 1 A 31 31 LEU H H 29 8.961 9.451 -0.490 1
1 361 . 20 1 1 A 31 31 LEU HA H 29 4.564 5.396 -0.832 1
1 371 . 20 1 1 A 31 31 LEU C C 29 176.005 175.011 0.994 1
1 372 . 20 1 1 A 31 31 LEU CA C 29 53.975 53.471 0.504 1
1 373 . 20 1 1 A 31 31 LEU CB C 29 43.485 45.518 -2.033 1
1 376 . 20 1 1 A 31 31 LEU N N 29 128.881 130.727 -1.846 1
1 377 . 20 1 1 A 32 32 ASN H H 30 8.763 9.226 -0.463 1
1 378 . 20 1 1 A 32 32 ASN HA H 30 4.991 5.732 -0.741 1
1 383 . 20 1 1 A 32 32 ASN C C 30 174.462 173.961 0.501 1
1 384 . 20 1 1 A 32 32 ASN CA C 30 52.413 51.433 0.980 1
1 385 . 20 1 1 A 32 32 ASN CB C 30 39.238 41.913 -2.675 1
1 386 . 20 1 1 A 32 32 ASN N N 30 124.019 124.022 -0.003 1
1 388 . 20 1 1 A 33 33 THR H H 31 8.170 8.613 -0.443 1
1 389 . 20 1 1 A 33 33 THR HA H 31 4.628 4.835 -0.207 1
1 394 . 20 1 1 A 33 33 THR CA C 31 59.475 59.157 0.318 1
1 395 . 20 1 1 A 33 33 THR CB C 31 70.435 72.258 -1.823 1
1 397 . 20 1 1 A 33 33 THR N N 31 119.276 114.190 5.086 1
1 398 . 20 1 1 A 34 34 PRO HA H 32 4.223 4.351 -0.128 1
1 405 . 20 1 1 A 34 34 PRO C C 32 176.814 177.356 -0.542 1
1 406 . 20 1 1 A 34 34 PRO CA C 32 64.445 65.194 -0.749 1
1 407 . 20 1 1 A 34 34 PRO CB C 32 32.161 31.975 0.186 1
1 410 . 20 1 1 A 35 35 ASN H H 33 8.574 8.494 0.080 1
1 411 . 20 1 1 A 35 35 ASN HA H 33 4.320 4.862 -0.542 1
1 416 . 20 1 1 A 35 35 ASN C C 33 174.344 174.322 0.022 1
1 417 . 20 1 1 A 35 35 ASN CA C 33 54.945 53.104 1.841 1
1 418 . 20 1 1 A 35 35 ASN CB C 33 38.122 39.109 -0.987 1
1 419 . 20 1 1 A 35 35 ASN N N 33 113.042 114.057 -1.015 1
1 421 . 20 1 1 A 36 36 CYS H H 34 7.554 7.977 -0.423 1
1 422 . 20 1 1 A 36 36 CYS HA H 34 4.891 5.181 -0.290 1
1 425 . 20 1 1 A 36 36 CYS C C 34 173.880 172.688 1.192 1
1 426 . 20 1 1 A 36 36 CYS CA C 34 54.622 54.969 -0.347 1
1 427 . 20 1 1 A 36 36 CYS CB C 34 44.780 48.284 -3.504 1
1 428 . 20 1 1 A 36 36 CYS N N 34 116.301 116.458 -0.157 1
1 429 . 20 1 1 A 37 37 ALA H H 35 8.418 8.668 -0.250 1
1 430 . 20 1 1 A 37 37 ALA HA H 35 4.237 4.570 -0.333 1
1 434 . 20 1 1 A 37 37 ALA C C 35 176.677 177.287 -0.610 1
1 435 . 20 1 1 A 37 37 ALA CA C 35 52.413 50.417 1.996 1
1 436 . 20 1 1 A 37 37 ALA CB C 35 18.992 20.668 -1.676 1
1 437 . 20 1 1 A 37 37 ALA N N 35 125.001 124.001 1.000 1
1 438 . 20 1 1 A 38 38 LEU H H 36 8.060 8.636 -0.576 1
1 439 . 20 1 1 A 38 38 LEU HA H 36 4.203 4.402 -0.199 1
1 449 . 20 1 1 A 38 38 LEU C C 36 176.194 176.305 -0.111 1
1 450 . 20 1 1 A 38 38 LEU CA C 36 56.563 54.816 1.747 1
1 451 . 20 1 1 A 38 38 LEU CB C 36 42.488 42.607 -0.119 1
1 455 . 20 1 1 A 38 38 LEU N N 36 121.548 119.971 1.577 1
1 456 . 20 1 1 A 39 39 GLN H H 37 8.434 8.519 -0.085 1
1 457 . 20 1 1 A 39 39 GLN HA H 37 4.623 4.903 -0.280 1
1 464 . 20 1 1 A 39 39 GLN C C 37 173.581 174.065 -0.484 1
1 465 . 20 1 1 A 39 39 GLN CA C 37 54.109 54.112 -0.003 1
1 466 . 20 1 1 A 39 39 GLN CB C 37 32.286 32.729 -0.443 1
1 468 . 20 1 1 A 39 39 GLN N N 37 123.271 122.939 0.332 1
1 470 . 20 1 1 A 40 40 ILE H H 38 9.408 8.535 0.873 1
1 471 . 20 1 1 A 40 40 ILE HA H 38 4.735 4.903 -0.168 1
1 481 . 20 1 1 A 40 40 ILE C C 38 174.547 174.732 -0.185 1
1 482 . 20 1 1 A 40 40 ILE CA C 38 60.122 59.766 0.356 1
1 483 . 20 1 1 A 40 40 ILE CB C 38 38.899 40.225 -1.326 1
1 487 . 20 1 1 A 40 40 ILE N N 38 124.702 124.031 0.671 1
1 488 . 20 1 1 A 41 41 VAL H H 39 8.826 9.447 -0.621 1
1 489 . 20 1 1 A 41 41 VAL HA H 39 5.041 5.214 -0.173 1
1 497 . 20 1 1 A 41 41 VAL C C 39 174.772 174.926 -0.154 1
1 498 . 20 1 1 A 41 41 VAL CA C 39 60.111 61.152 -1.041 1
1 499 . 20 1 1 A 41 41 VAL CB C 39 34.767 33.640 1.127 1
1 501 . 20 1 1 A 41 41 VAL N N 39 124.047 126.194 -2.147 1
1 502 . 20 1 1 A 42 42 ALA H H 40 9.299 9.075 0.224 1
1 503 . 20 1 1 A 42 42 ALA HA H 40 5.276 5.792 -0.516 1
1 507 . 20 1 1 A 42 42 ALA C C 40 175.955 174.664 1.291 1
1 508 . 20 1 1 A 42 42 ALA CA C 40 50.093 50.684 -0.591 1
1 509 . 20 1 1 A 42 42 ALA CB C 40 23.800 23.307 0.493 1
1 510 . 20 1 1 A 42 42 ALA N N 40 126.567 128.665 -2.098 1
1 511 . 20 1 1 A 43 43 ARG H H 41 8.398 8.954 -0.556 1
1 512 . 20 1 1 A 43 43 ARG HA H 41 5.131 5.348 -0.217 1
1 519 . 20 1 1 A 43 43 ARG C C 41 176.184 175.472 0.712 1
1 520 . 20 1 1 A 43 43 ARG CA C 41 53.900 54.621 -0.721 1
1 521 . 20 1 1 A 43 43 ARG CB C 41 32.161 32.774 -0.613 1
1 524 . 20 1 1 A 43 43 ARG N N 41 118.991 121.961 -2.970 1
1 525 . 20 1 1 A 44 44 LEU H H 42 8.988 9.368 -0.380 1
1 526 . 20 1 1 A 44 44 LEU HA H 42 4.925 5.021 -0.096 1
1 536 . 20 1 1 A 44 44 LEU C C 42 178.369 176.561 1.808 1
1 537 . 20 1 1 A 44 44 LEU CA C 42 54.329 54.920 -0.591 1
1 538 . 20 1 1 A 44 44 LEU CB C 42 41.497 41.538 -0.041 1
1 542 . 20 1 1 A 44 44 LEU N N 42 125.637 127.558 -1.921 1
1 543 . 20 1 1 A 45 45 LYS H H 43 8.470 9.140 -0.670 1
1 544 . 20 1 1 A 45 45 LYS HA H 43 3.823 3.957 -0.134 1
1 553 . 20 1 1 A 45 45 LYS CA C 43 59.340 59.943 -0.603 1
1 554 . 20 1 1 A 45 45 LYS CB C 43 33.445 32.438 1.007 1
1 558 . 20 1 1 A 45 45 LYS N N 43 120.489 123.031 -2.542 1
1 559 . 20 1 1 A 46 46 ASN HA H 44 4.421 4.435 -0.014 1
1 564 . 20 1 1 A 46 46 ASN C C 44 175.970 177.453 -1.483 1
1 565 . 20 1 1 A 46 46 ASN CA C 44 55.457 56.059 -0.602 1
1 566 . 20 1 1 A 46 46 ASN CB C 44 37.507 38.975 -1.468 1
1 568 . 20 1 1 A 47 47 ASN H H 45 7.483 7.848 -0.365 1
1 569 . 20 1 1 A 47 47 ASN HA H 45 4.706 4.814 -0.108 1
1 574 . 20 1 1 A 47 47 ASN C C 45 175.461 175.145 0.316 1
1 575 . 20 1 1 A 47 47 ASN CA C 45 52.769 53.688 -0.919 1
1 576 . 20 1 1 A 47 47 ASN CB C 45 39.194 39.074 0.120 1
1 577 . 20 1 1 A 47 47 ASN N N 45 115.277 116.626 -1.349 1
1 579 . 20 1 1 A 48 48 ASN H H 46 7.995 8.405 -0.410 1
1 580 . 20 1 1 A 48 48 ASN HA H 46 4.661 4.411 0.250 1
1 585 . 20 1 1 A 48 48 ASN C C 46 174.812 174.409 0.403 1
1 586 . 20 1 1 A 48 48 ASN CA C 46 54.298 54.612 -0.314 1
1 587 . 20 1 1 A 48 48 ASN CB C 46 39.103 38.193 0.910 1
1 588 . 20 1 1 A 48 48 ASN N N 46 116.416 117.540 -1.124 1
1 590 . 20 1 1 A 49 49 ARG H H 47 7.940 7.746 0.194 1
1 591 . 20 1 1 A 49 49 ARG HA H 47 4.205 4.595 -0.390 1
1 598 . 20 1 1 A 49 49 ARG C C 47 175.719 175.480 0.239 1
1 599 . 20 1 1 A 49 49 ARG CA C 47 57.084 55.296 1.788 1
1 600 . 20 1 1 A 49 49 ARG CB C 47 31.792 31.797 -0.005 1
1 603 . 20 1 1 A 49 49 ARG N N 47 120.017 121.703 -1.686 1
1 604 . 20 1 1 A 50 50 GLN H H 48 8.641 8.544 0.097 1
1 605 . 20 1 1 A 50 50 GLN HA H 48 5.240 5.223 0.017 1
1 612 . 20 1 1 A 50 50 GLN C C 48 175.697 174.997 0.700 1
1 613 . 20 1 1 A 50 50 GLN CA C 48 55.454 55.929 -0.475 1
1 614 . 20 1 1 A 50 50 GLN CB C 48 30.959 29.662 1.297 1
1 616 . 20 1 1 A 50 50 GLN N N 48 123.029 125.525 -2.496 1
1 618 . 20 1 1 A 51 51 VAL H H 49 9.018 9.507 -0.489 1
1 619 . 20 1 1 A 51 51 VAL HA H 49 4.745 4.688 0.057 1
1 627 . 20 1 1 A 51 51 VAL C C 49 174.561 174.853 -0.292 1
1 628 . 20 1 1 A 51 51 VAL CA C 49 59.266 60.480 -1.214 1
1 629 . 20 1 1 A 51 51 VAL CB C 49 35.845 35.115 0.730 1
1 632 . 20 1 1 A 51 51 VAL N N 49 119.358 124.151 -4.793 1
1 633 . 20 1 1 A 52 52 CYS H H 50 8.895 8.613 0.282 1
1 634 . 20 1 1 A 52 52 CYS HA H 50 5.636 5.296 0.340 1
1 637 . 20 1 1 A 52 52 CYS C C 50 174.469 173.840 0.629 1
1 638 . 20 1 1 A 52 52 CYS CA C 50 56.377 55.613 0.764 1
1 639 . 20 1 1 A 52 52 CYS CB C 50 44.680 42.469 2.211 1
1 640 . 20 1 1 A 52 52 CYS N N 50 120.834 123.265 -2.431 1
1 641 . 20 1 1 A 53 53 ILE H H 51 8.615 9.602 -0.987 1
1 642 . 20 1 1 A 53 53 ILE HA H 51 4.512 4.639 -0.127 1
1 652 . 20 1 1 A 53 53 ILE C C 51 174.137 174.584 -0.447 1
1 653 . 20 1 1 A 53 53 ILE CA C 51 59.397 59.943 -0.546 1
1 654 . 20 1 1 A 53 53 ILE CB C 51 39.603 40.278 -0.675 1
1 658 . 20 1 1 A 53 53 ILE N N 51 122.392 126.329 -3.937 1
1 659 . 20 1 1 A 54 54 ASP H H 52 7.766 8.265 -0.499 1
1 660 . 20 1 1 A 54 54 ASP HA H 52 3.572 3.848 -0.276 1
1 663 . 20 1 1 A 54 54 ASP CA C 52 51.578 51.423 0.155 1
1 664 . 20 1 1 A 54 54 ASP CB C 52 42.381 41.874 0.507 1
1 665 . 20 1 1 A 54 54 ASP N N 52 126.398 125.893 0.505 1
1 666 . 20 1 1 A 55 55 PRO HA H 53 4.011 4.270 -0.259 1
1 673 . 20 1 1 A 55 55 PRO C C 53 176.274 177.130 -0.856 1
1 674 . 20 1 1 A 55 55 PRO CA C 53 63.546 63.965 -0.419 1
1 675 . 20 1 1 A 55 55 PRO CB C 53 32.270 31.556 0.714 1
1 678 . 20 1 1 A 56 56 LYS H H 54 8.053 7.918 0.135 1
1 679 . 20 1 1 A 56 56 LYS HA H 54 3.982 4.276 -0.294 1
1 688 . 20 1 1 A 56 56 LYS C C 54 177.867 176.751 1.116 1
1 689 . 20 1 1 A 56 56 LYS CA C 54 56.189 56.648 -0.459 1
1 690 . 20 1 1 A 56 56 LYS CB C 54 31.649 33.115 -1.466 1
1 694 . 20 1 1 A 56 56 LYS N N 54 115.161 116.521 -1.360 1
1 695 . 20 1 1 A 57 57 LEU H H 55 7.145 6.995 0.150 1
1 696 . 20 1 1 A 57 57 LEU HA H 55 4.027 4.163 -0.136 1
1 706 . 20 1 1 A 57 57 LEU C C 55 179.221 177.544 1.677 1
1 707 . 20 1 1 A 57 57 LEU CA C 55 14.371 55.362 -40.991 1
1 708 . 20 1 1 A 57 57 LEU CB C 55 41.739 41.781 -0.042 1
1 712 . 20 1 1 A 57 57 LEU N N 55 120.921 121.048 -0.127 1
1 713 . 20 1 1 A 58 58 LYS H H 56 8.798 8.945 -0.147 1
1 714 . 20 1 1 A 58 58 LYS HA H 56 3.937 3.908 0.029 1
1 723 . 20 1 1 A 58 58 LYS C C 56 179.161 178.172 0.989 1
1 724 . 20 1 1 A 58 58 LYS CA C 56 60.116 59.821 0.295 1
1 725 . 20 1 1 A 58 58 LYS CB C 56 32.100 32.201 -0.101 1
1 729 . 20 1 1 A 58 58 LYS N N 56 125.449 124.756 0.693 1
1 730 . 20 1 1 A 59 59 TRP H H 57 7.821 8.402 -0.581 1
1 731 . 20 1 1 A 59 59 TRP HA H 57 4.636 4.504 0.132 1
1 740 . 20 1 1 A 59 59 TRP C C 57 178.642 179.304 -0.662 1
1 741 . 20 1 1 A 59 59 TRP CA C 57 58.388 59.892 -1.504 1
1 742 . 20 1 1 A 59 59 TRP CB C 57 27.954 28.026 -0.072 1
1 748 . 20 1 1 A 59 59 TRP N N 57 113.650 119.121 -5.471 1
1 750 . 20 1 1 A 60 60 ILE H H 58 6.340 7.458 -1.118 1
1 751 . 20 1 1 A 60 60 ILE HA H 58 3.620 3.295 0.325 1
1 761 . 20 1 1 A 60 60 ILE C C 58 177.104 177.555 -0.451 1
1 762 . 20 1 1 A 60 60 ILE CA C 58 61.605 64.166 -2.561 1
1 763 . 20 1 1 A 60 60 ILE CB C 58 36.043 36.084 -0.041 1
1 767 . 20 1 1 A 60 60 ILE N N 58 123.265 122.292 0.973 1
1 768 . 20 1 1 A 61 61 GLN H H 59 7.710 8.384 -0.674 1
1 769 . 20 1 1 A 61 61 GLN HA H 59 3.824 3.936 -0.112 1
1 776 . 20 1 1 A 61 61 GLN C C 59 178.933 179.077 -0.144 1
1 777 . 20 1 1 A 61 61 GLN CA C 59 59.663 59.000 0.663 1
1 778 . 20 1 1 A 61 61 GLN CB C 59 27.972 28.165 -0.193 1
1 780 . 20 1 1 A 61 61 GLN N N 59 120.515 119.273 1.242 1
1 782 . 20 1 1 A 62 62 GLU H H 60 8.042 8.047 -0.005 1
1 783 . 20 1 1 A 62 62 GLU HA H 60 4.093 4.063 0.030 1
1 788 . 20 1 1 A 62 62 GLU C C 60 178.539 178.516 0.023 1
1 789 . 20 1 1 A 62 62 GLU CA C 60 59.152 59.132 0.020 1
1 790 . 20 1 1 A 62 62 GLU CB C 60 29.896 29.388 0.508 1
1 792 . 20 1 1 A 62 62 GLU N N 60 117.976 121.191 -3.215 1
1 793 . 20 1 1 A 63 63 TYR H H 61 7.882 7.861 0.021 1
1 794 . 20 1 1 A 63 63 TYR HA H 61 4.214 4.227 -0.013 1
1 801 . 20 1 1 A 63 63 TYR C C 61 178.157 177.395 0.762 1
1 802 . 20 1 1 A 63 63 TYR CA C 61 61.281 61.378 -0.097 1
1 803 . 20 1 1 A 63 63 TYR CB C 61 38.956 38.352 0.604 1
1 806 . 20 1 1 A 63 63 TYR N N 61 120.743 123.146 -2.403 1
1 807 . 20 1 1 A 64 64 LEU H H 62 8.438 9.081 -0.643 1
1 808 . 20 1 1 A 64 64 LEU HA H 62 3.886 3.629 0.257 1
1 818 . 20 1 1 A 64 64 LEU C C 62 178.678 179.187 -0.509 1
1 819 . 20 1 1 A 64 64 LEU CA C 62 57.619 58.175 -0.556 1
1 820 . 20 1 1 A 64 64 LEU CB C 62 41.868 41.697 0.171 1
1 824 . 20 1 1 A 64 64 LEU N N 62 119.052 120.248 -1.196 1
1 825 . 20 1 1 A 65 65 GLU H H 63 7.884 8.554 -0.670 1
1 826 . 20 1 1 A 65 65 GLU HA H 63 3.998 4.064 -0.066 1
1 831 . 20 1 1 A 65 65 GLU C C 63 178.447 178.058 0.389 1
1 832 . 20 1 1 A 65 65 GLU CA C 63 59.143 59.084 0.059 1
1 833 . 20 1 1 A 65 65 GLU CB C 63 29.708 29.149 0.559 1
1 835 . 20 1 1 A 65 65 GLU N N 63 118.310 116.548 1.762 1
1 836 . 20 1 1 A 66 66 LYS H H 64 7.576 7.706 -0.130 1
1 837 . 20 1 1 A 66 66 LYS HA H 64 4.208 4.275 -0.067 1
1 846 . 20 1 1 A 66 66 LYS C C 64 177.941 178.685 -0.744 1
1 847 . 20 1 1 A 66 66 LYS CA C 64 57.543 58.084 -0.541 1
1 848 . 20 1 1 A 66 66 LYS CB C 64 32.620 33.284 -0.664 1
1 852 . 20 1 1 A 66 66 LYS N N 64 117.398 118.703 -1.305 1
1 853 . 20 1 1 A 67 67 ALA H H 65 7.934 8.039 -0.105 1
1 854 . 20 1 1 A 67 67 ALA HA H 65 4.106 4.010 0.096 1
1 858 . 20 1 1 A 67 67 ALA C C 65 178.624 180.291 -1.667 1
1 859 . 20 1 1 A 67 67 ALA CA C 65 53.790 54.442 -0.652 1
1 860 . 20 1 1 A 67 67 ALA CB C 65 19.106 18.120 0.986 1
1 861 . 20 1 1 A 67 67 ALA N N 65 121.561 122.091 -0.530 1
1 862 . 20 1 1 A 68 68 LEU H H 66 7.835 8.379 -0.544 1
1 863 . 20 1 1 A 68 68 LEU HA H 66 4.268 3.926 0.342 1
1 873 . 20 1 1 A 68 68 LEU CA C 66 55.593 57.749 -2.156 1
1 874 . 20 1 1 A 68 68 LEU CB C 66 42.191 41.485 0.706 1
1 877 . 20 1 1 A 68 68 LEU N N 66 117.270 119.513 -2.243 1
1 878 . 20 1 1 A 69 69 ASN H H 67 7.914 8.205 -0.291 1
1 879 . 20 1 1 A 69 69 ASN HA H 67 4.731 4.363 0.368 1
1 884 . 20 1 1 A 69 69 ASN C C 67 174.039 177.838 -3.799 1
1 885 . 20 1 1 A 69 69 ASN CA C 67 53.328 57.025 -3.697 1
1 886 . 20 1 1 A 69 69 ASN CB C 67 39.091 38.692 0.399 1
1 887 . 20 1 1 A 69 69 ASN N N 67 118.309 118.022 0.287 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 0.879 1
2 1 1 1 "RMS(OBS, PRED)" CA 66 5.247 1
3 1 1 1 "RMS(OBS, PRED)" CB 66 1.187 1
4 1 1 1 "RMS(OBS, PRED)" H 60 0.530 1
5 1 1 1 "RMS(OBS, PRED)" HA 66 0.297 1
6 1 1 1 "RMS(OBS, PRED)" N 59 2.715 1
7 1 2 1 "RMS(OBS, PRED)" C 62 0.926 1
8 1 2 1 "RMS(OBS, PRED)" CA 66 5.252 1
9 1 2 1 "RMS(OBS, PRED)" CB 66 1.302 1
10 1 2 1 "RMS(OBS, PRED)" H 60 0.482 1
11 1 2 1 "RMS(OBS, PRED)" HA 66 0.270 1
12 1 2 1 "RMS(OBS, PRED)" N 59 2.528 1
13 1 3 1 "RMS(OBS, PRED)" C 62 0.898 1
14 1 3 1 "RMS(OBS, PRED)" CA 66 5.267 1
15 1 3 1 "RMS(OBS, PRED)" CB 66 1.166 1
16 1 3 1 "RMS(OBS, PRED)" H 60 0.525 1
17 1 3 1 "RMS(OBS, PRED)" HA 66 0.321 1
18 1 3 1 "RMS(OBS, PRED)" N 59 2.674 1
19 1 4 1 "RMS(OBS, PRED)" C 62 0.962 1
20 1 4 1 "RMS(OBS, PRED)" CA 66 5.235 1
21 1 4 1 "RMS(OBS, PRED)" CB 66 1.195 1
22 1 4 1 "RMS(OBS, PRED)" H 60 0.513 1
23 1 4 1 "RMS(OBS, PRED)" HA 66 0.283 1
24 1 4 1 "RMS(OBS, PRED)" N 59 2.674 1
25 1 5 1 "RMS(OBS, PRED)" C 62 0.956 1
26 1 5 1 "RMS(OBS, PRED)" CA 66 5.202 1
27 1 5 1 "RMS(OBS, PRED)" CB 66 1.375 1
28 1 5 1 "RMS(OBS, PRED)" H 60 0.486 1
29 1 5 1 "RMS(OBS, PRED)" HA 66 0.299 1
30 1 5 1 "RMS(OBS, PRED)" N 59 2.758 1
31 1 6 1 "RMS(OBS, PRED)" C 62 0.800 1
32 1 6 1 "RMS(OBS, PRED)" CA 66 5.234 1
33 1 6 1 "RMS(OBS, PRED)" CB 66 1.302 1
34 1 6 1 "RMS(OBS, PRED)" H 60 0.495 1
35 1 6 1 "RMS(OBS, PRED)" HA 66 0.288 1
36 1 6 1 "RMS(OBS, PRED)" N 59 2.950 1
37 1 7 1 "RMS(OBS, PRED)" C 62 0.976 1
38 1 7 1 "RMS(OBS, PRED)" CA 66 5.207 1
39 1 7 1 "RMS(OBS, PRED)" CB 66 1.155 1
40 1 7 1 "RMS(OBS, PRED)" H 60 0.489 1
41 1 7 1 "RMS(OBS, PRED)" HA 66 0.298 1
42 1 7 1 "RMS(OBS, PRED)" N 59 2.576 1
43 1 8 1 "RMS(OBS, PRED)" C 62 0.911 1
44 1 8 1 "RMS(OBS, PRED)" CA 66 5.223 1
45 1 8 1 "RMS(OBS, PRED)" CB 66 1.238 1
46 1 8 1 "RMS(OBS, PRED)" H 60 0.522 1
47 1 8 1 "RMS(OBS, PRED)" HA 66 0.298 1
48 1 8 1 "RMS(OBS, PRED)" N 59 2.533 1
49 1 9 1 "RMS(OBS, PRED)" C 62 0.866 1
50 1 9 1 "RMS(OBS, PRED)" CA 66 5.192 1
51 1 9 1 "RMS(OBS, PRED)" CB 66 1.348 1
52 1 9 1 "RMS(OBS, PRED)" H 60 0.456 1
53 1 9 1 "RMS(OBS, PRED)" HA 66 0.306 1
54 1 9 1 "RMS(OBS, PRED)" N 59 2.568 1
55 1 10 1 "RMS(OBS, PRED)" C 62 0.911 1
56 1 10 1 "RMS(OBS, PRED)" CA 66 5.223 1
57 1 10 1 "RMS(OBS, PRED)" CB 66 1.237 1
58 1 10 1 "RMS(OBS, PRED)" H 60 0.511 1
59 1 10 1 "RMS(OBS, PRED)" HA 66 0.286 1
60 1 10 1 "RMS(OBS, PRED)" N 59 2.531 1
61 1 11 1 "RMS(OBS, PRED)" C 62 0.934 1
62 1 11 1 "RMS(OBS, PRED)" CA 66 5.217 1
63 1 11 1 "RMS(OBS, PRED)" CB 66 1.129 1
64 1 11 1 "RMS(OBS, PRED)" H 60 0.515 1
65 1 11 1 "RMS(OBS, PRED)" HA 66 0.300 1
66 1 11 1 "RMS(OBS, PRED)" N 59 2.843 1
67 1 12 1 "RMS(OBS, PRED)" C 62 0.971 1
68 1 12 1 "RMS(OBS, PRED)" CA 66 5.224 1
69 1 12 1 "RMS(OBS, PRED)" CB 66 1.324 1
70 1 12 1 "RMS(OBS, PRED)" H 60 0.482 1
71 1 12 1 "RMS(OBS, PRED)" HA 66 0.287 1
72 1 12 1 "RMS(OBS, PRED)" N 59 2.454 1
73 1 13 1 "RMS(OBS, PRED)" C 62 1.069 1
74 1 13 1 "RMS(OBS, PRED)" CA 66 5.210 1
75 1 13 1 "RMS(OBS, PRED)" CB 66 1.302 1
76 1 13 1 "RMS(OBS, PRED)" H 60 0.543 1
77 1 13 1 "RMS(OBS, PRED)" HA 66 0.302 1
78 1 13 1 "RMS(OBS, PRED)" N 59 2.990 1
79 1 14 1 "RMS(OBS, PRED)" C 62 0.931 1
80 1 14 1 "RMS(OBS, PRED)" CA 66 5.239 1
81 1 14 1 "RMS(OBS, PRED)" CB 66 1.151 1
82 1 14 1 "RMS(OBS, PRED)" H 60 0.514 1
83 1 14 1 "RMS(OBS, PRED)" HA 66 0.293 1
84 1 14 1 "RMS(OBS, PRED)" N 59 2.975 1
85 1 15 1 "RMS(OBS, PRED)" C 62 0.900 1
86 1 15 1 "RMS(OBS, PRED)" CA 66 5.182 1
87 1 15 1 "RMS(OBS, PRED)" CB 66 1.242 1
88 1 15 1 "RMS(OBS, PRED)" H 60 0.516 1
89 1 15 1 "RMS(OBS, PRED)" HA 66 0.264 1
90 1 15 1 "RMS(OBS, PRED)" N 59 2.694 1
91 1 16 1 "RMS(OBS, PRED)" C 62 0.974 1
92 1 16 1 "RMS(OBS, PRED)" CA 66 5.210 1
93 1 16 1 "RMS(OBS, PRED)" CB 66 1.160 1
94 1 16 1 "RMS(OBS, PRED)" H 60 0.541 1
95 1 16 1 "RMS(OBS, PRED)" HA 66 0.299 1
96 1 16 1 "RMS(OBS, PRED)" N 59 2.838 1
97 1 17 1 "RMS(OBS, PRED)" C 62 0.988 1
98 1 17 1 "RMS(OBS, PRED)" CA 66 5.278 1
99 1 17 1 "RMS(OBS, PRED)" CB 66 1.291 1
100 1 17 1 "RMS(OBS, PRED)" H 60 0.533 1
101 1 17 1 "RMS(OBS, PRED)" HA 66 0.315 1
102 1 17 1 "RMS(OBS, PRED)" N 59 2.864 1
103 1 18 1 "RMS(OBS, PRED)" C 62 1.014 1
104 1 18 1 "RMS(OBS, PRED)" CA 66 5.267 1
105 1 18 1 "RMS(OBS, PRED)" CB 66 1.275 1
106 1 18 1 "RMS(OBS, PRED)" H 60 0.520 1
107 1 18 1 "RMS(OBS, PRED)" HA 66 0.276 1
108 1 18 1 "RMS(OBS, PRED)" N 59 2.970 1
109 1 19 1 "RMS(OBS, PRED)" C 62 0.901 1
110 1 19 1 "RMS(OBS, PRED)" CA 66 5.244 1
111 1 19 1 "RMS(OBS, PRED)" CB 66 1.301 1
112 1 19 1 "RMS(OBS, PRED)" H 60 0.475 1
113 1 19 1 "RMS(OBS, PRED)" HA 66 0.291 1
114 1 19 1 "RMS(OBS, PRED)" N 59 2.264 1
115 1 20 1 "RMS(OBS, PRED)" C 62 1.016 1
116 1 20 1 "RMS(OBS, PRED)" CA 66 5.235 1
117 1 20 1 "RMS(OBS, PRED)" CB 66 1.270 1
118 1 20 1 "RMS(OBS, PRED)" H 60 0.511 1
119 1 20 1 "RMS(OBS, PRED)" HA 66 0.317 1
120 1 20 1 "RMS(OBS, PRED)" N 59 2.629 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 4.447 4.714 -0.267 2
1 25 . 1 1 A 4 4 PRO C C 2 176.996 176.275 0.721 2
1 26 . 1 1 A 4 4 PRO CA C 2 63.494 62.617 0.877 2
1 27 . 1 1 A 4 4 PRO CB C 2 32.161 31.546 0.615 2
1 30 . 1 1 A 5 5 VAL H H 3 8.292 8.335 -0.043 2
1 31 . 1 1 A 5 5 VAL HA H 3 4.074 4.365 -0.291 2
1 39 . 1 1 A 5 5 VAL C C 3 176.376 175.351 1.025 2
1 40 . 1 1 A 5 5 VAL CA C 3 62.495 61.141 1.354 2
1 41 . 1 1 A 5 5 VAL CB C 3 32.808 32.456 0.352 2
1 43 . 1 1 A 5 5 VAL N N 3 121.008 121.320 -0.312 2
1 44 . 1 1 A 6 6 SER H H 4 8.313 8.732 -0.419 2
1 45 . 1 1 A 6 6 SER HA H 4 4.419 4.683 -0.264 2
1 48 . 1 1 A 6 6 SER C C 4 174.577 173.970 0.607 2
1 49 . 1 1 A 6 6 SER CA C 4 58.148 58.359 -0.211 2
1 50 . 1 1 A 6 6 SER CB C 4 63.870 63.842 0.028 2
1 51 . 1 1 A 6 6 SER N N 4 119.573 120.316 -0.743 2
1 52 . 1 1 A 7 7 LEU H H 5 8.326 8.264 0.062 2
1 53 . 1 1 A 7 7 LEU HA H 5 4.342 4.488 -0.146 2
1 63 . 1 1 A 7 7 LEU C C 5 177.341 176.109 1.232 2
1 64 . 1 1 A 7 7 LEU CA C 5 55.388 55.181 0.207 2
1 65 . 1 1 A 7 7 LEU CB C 5 42.650 42.725 -0.075 2
1 68 . 1 1 A 7 7 LEU N N 5 125.039 124.535 0.504 2
1 69 . 1 1 A 8 8 SER H H 6 8.157 8.421 -0.264 2
1 70 . 1 1 A 8 8 SER HA H 6 4.360 4.686 -0.326 2
1 73 . 1 1 A 8 8 SER C C 6 174.189 173.270 0.919 2
1 74 . 1 1 A 8 8 SER CA C 6 58.433 58.417 0.016 2
1 75 . 1 1 A 8 8 SER CB C 6 63.870 63.911 -0.041 2
1 76 . 1 1 A 8 8 SER N N 6 116.154 116.397 -0.243 2
1 77 . 1 1 A 9 9 TYR H H 7 8.017 8.616 -0.599 2
1 78 . 1 1 A 9 9 TYR HA H 7 4.512 4.743 -0.231 2
1 85 . 1 1 A 9 9 TYR C C 7 175.520 174.799 0.721 2
1 86 . 1 1 A 9 9 TYR CA C 7 58.008 57.803 0.205 2
1 87 . 1 1 A 9 9 TYR CB C 7 38.956 39.394 -0.438 2
1 90 . 1 1 A 9 9 TYR N N 7 122.213 125.140 -2.927 2
1 91 . 1 1 A 10 10 ARG H H 8 8.152 8.395 -0.243 2
1 92 . 1 1 A 10 10 ARG HA H 8 4.260 4.295 -0.035 2
1 99 . 1 1 A 10 10 ARG C C 8 175.918 175.656 0.262 2
1 100 . 1 1 A 10 10 ARG CA C 8 56.104 56.541 -0.437 2
1 101 . 1 1 A 10 10 ARG CB C 8 30.875 30.803 0.072 2
1 104 . 1 1 A 10 10 ARG N N 8 122.182 125.231 -3.049 2
1 105 . 1 1 A 11 11 CYS H H 9 8.132 7.931 0.201 2
1 106 . 1 1 A 11 11 CYS HA H 9 4.935 4.674 0.261 2
1 109 . 1 1 A 11 11 CYS C C 9 173.615 173.725 -0.110 2
1 110 . 1 1 A 11 11 CYS CA C 9 53.127 55.369 -2.242 2
1 111 . 1 1 A 11 11 CYS CB C 9 40.201 42.752 -2.551 2
1 112 . 1 1 A 11 11 CYS N N 9 121.280 119.049 2.231 2
1 113 . 1 1 A 12 12 PRO HA H 10 4.290 4.383 -0.093 2
1 120 . 1 1 A 12 12 PRO C C 10 177.703 176.596 1.107 2
1 121 . 1 1 A 12 12 PRO CA C 10 64.835 64.999 -0.164 2
1 122 . 1 1 A 12 12 PRO CB C 10 32.484 31.572 0.912 2
1 125 . 1 1 A 13 13 CYS H H 11 8.300 7.975 0.325 2
1 126 . 1 1 A 13 13 CYS HA H 11 4.891 4.855 0.036 2
1 129 . 1 1 A 13 13 CYS C C 11 174.202 173.087 1.115 2
1 130 . 1 1 A 13 13 CYS CA C 11 53.480 55.440 -1.960 2
1 131 . 1 1 A 13 13 CYS CB C 11 39.603 43.942 -4.339 2
1 132 . 1 1 A 13 13 CYS N N 11 114.161 115.949 -1.788 2
1 133 . 1 1 A 14 14 ARG HA H 12 3.963 4.105 -0.142 2
1 140 . 1 1 A 14 14 ARG C C 12 175.202 175.522 -0.320 2
1 141 . 1 1 A 14 14 ARG CA C 12 57.293 56.710 0.583 2
1 142 . 1 1 A 14 14 ARG CB C 12 31.099 31.096 0.003 2
1 145 . 1 1 A 15 15 PHE H H 13 7.543 7.657 -0.114 2
1 146 . 1 1 A 15 15 PHE HA H 13 4.496 4.849 -0.353 2
1 154 . 1 1 A 15 15 PHE C C 13 174.226 174.452 -0.226 2
1 155 . 1 1 A 15 15 PHE CA C 13 55.971 56.416 -0.445 2
1 156 . 1 1 A 15 15 PHE CB C 13 41.032 41.415 -0.383 2
1 160 . 1 1 A 15 15 PHE N N 13 116.175 116.575 -0.400 2
1 161 . 1 1 A 16 16 PHE H H 14 8.305 8.952 -0.647 2
1 162 . 1 1 A 16 16 PHE HA H 14 4.812 5.053 -0.240 2
1 170 . 1 1 A 16 16 PHE C C 14 175.247 176.226 -0.979 2
1 171 . 1 1 A 16 16 PHE CA C 14 55.559 56.798 -1.240 2
1 172 . 1 1 A 16 16 PHE CB C 14 41.220 41.854 -0.634 2
1 176 . 1 1 A 16 16 PHE N N 14 119.656 120.975 -1.319 2
1 177 . 1 1 A 17 17 GLU H H 15 8.879 9.432 -0.553 2
1 178 . 1 1 A 17 17 GLU HA H 15 4.536 4.117 0.419 2
1 183 . 1 1 A 17 17 GLU C C 15 176.747 176.767 -0.020 2
1 184 . 1 1 A 17 17 GLU CA C 15 56.012 59.126 -3.114 2
1 185 . 1 1 A 17 17 GLU CB C 15 30.876 29.576 1.300 2
1 187 . 1 1 A 17 17 GLU N N 15 122.563 124.417 -1.854 2
1 188 . 1 1 A 18 18 SER H H 16 8.810 8.339 0.471 2
1 189 . 1 1 A 18 18 SER HA H 16 4.673 4.474 0.199 2
1 192 . 1 1 A 18 18 SER C C 16 174.278 174.085 0.193 2
1 193 . 1 1 A 18 18 SER CA C 16 59.799 59.926 -0.127 2
1 194 . 1 1 A 18 18 SER CB C 16 63.999 62.105 1.894 2
1 195 . 1 1 A 18 18 SER N N 16 119.679 115.316 4.363 2
1 196 . 1 1 A 19 19 HIS H H 17 8.712 8.084 0.628 2
1 197 . 1 1 A 19 19 HIS HA H 17 4.777 4.784 -0.007 2
1 202 . 1 1 A 19 19 HIS C C 17 174.580 174.646 -0.066 2
1 203 . 1 1 A 19 19 HIS CA C 17 56.240 55.234 1.006 2
1 204 . 1 1 A 19 19 HIS CB C 17 29.896 29.745 0.151 2
1 207 . 1 1 A 19 19 HIS N N 17 120.269 120.082 0.187 2
1 208 . 1 1 A 20 20 VAL H H 18 7.145 7.835 -0.690 2
1 209 . 1 1 A 20 20 VAL HA H 18 4.132 4.255 -0.123 2
1 217 . 1 1 A 20 20 VAL C C 18 174.138 175.244 -1.106 2
1 218 . 1 1 A 20 20 VAL CA C 18 61.605 61.654 -0.049 2
1 219 . 1 1 A 20 20 VAL CB C 18 34.102 33.366 0.736 2
1 221 . 1 1 A 20 20 VAL N N 18 120.100 121.430 -1.330 2
1 222 . 1 1 A 21 21 ALA H H 19 8.554 8.370 0.184 2
1 223 . 1 1 A 21 21 ALA HA H 19 4.353 4.334 0.019 2
1 227 . 1 1 A 21 21 ALA C C 19 177.514 177.597 -0.083 2
1 228 . 1 1 A 21 21 ALA CA C 19 50.666 50.083 0.583 2
1 229 . 1 1 A 21 21 ALA CB C 19 19.648 21.198 -1.550 2
1 230 . 1 1 A 21 21 ALA N N 19 131.180 129.790 1.390 2
1 231 . 1 1 A 22 22 ARG H H 20 7.813 7.984 -0.171 2
1 232 . 1 1 A 22 22 ARG HA H 20 2.621 2.847 -0.226 2
1 239 . 1 1 A 22 22 ARG C C 20 178.531 177.412 1.119 2
1 240 . 1 1 A 22 22 ARG CA C 20 59.155 58.667 0.488 2
1 241 . 1 1 A 22 22 ARG CB C 20 29.167 29.280 -0.113 2
1 244 . 1 1 A 22 22 ARG N N 20 124.436 120.518 3.918 2
1 245 . 1 1 A 23 23 ALA H H 21 8.191 7.519 0.672 2
1 246 . 1 1 A 23 23 ALA HA H 21 4.023 4.058 -0.035 2
1 250 . 1 1 A 23 23 ALA C C 21 177.743 178.605 -0.862 2
1 251 . 1 1 A 23 23 ALA CA C 21 53.809 53.652 0.157 2
1 252 . 1 1 A 23 23 ALA CB C 21 18.712 18.355 0.357 2
1 253 . 1 1 A 23 23 ALA N N 21 117.354 120.492 -3.138 2
1 254 . 1 1 A 24 24 ASN H H 22 7.738 7.779 -0.041 2
1 255 . 1 1 A 24 24 ASN HA H 22 4.928 4.734 0.194 2
1 260 . 1 1 A 24 24 ASN C C 22 174.889 175.240 -0.351 2
1 261 . 1 1 A 24 24 ASN CA C 22 52.590 52.981 -0.392 2
1 262 . 1 1 A 24 24 ASN CB C 22 40.335 38.776 1.559 2
1 263 . 1 1 A 24 24 ASN N N 22 112.797 115.570 -2.773 2
1 265 . 1 1 A 25 25 VAL H H 23 7.438 7.340 0.098 2
1 266 . 1 1 A 25 25 VAL HA H 23 4.349 4.377 -0.028 2
1 274 . 1 1 A 25 25 VAL C C 23 174.594 175.823 -1.229 2
1 275 . 1 1 A 25 25 VAL CA C 23 62.406 62.157 0.249 2
1 276 . 1 1 A 25 25 VAL CB C 23 33.445 32.328 1.117 2
1 278 . 1 1 A 25 25 VAL N N 23 118.653 119.948 -1.295 2
1 279 . 1 1 A 26 26 LYS H H 24 9.262 9.576 -0.314 2
1 280 . 1 1 A 26 26 LYS HA H 24 4.394 4.309 0.085 2
1 289 . 1 1 A 26 26 LYS C C 24 175.247 175.869 -0.622 2
1 290 . 1 1 A 26 26 LYS CA C 24 56.483 57.876 -1.393 2
1 291 . 1 1 A 26 26 LYS CB C 24 35.022 33.688 1.334 2
1 295 . 1 1 A 26 26 LYS N N 24 125.308 128.733 -3.425 2
1 296 . 1 1 A 27 27 HIS H H 25 7.749 7.628 0.121 2
1 297 . 1 1 A 27 27 HIS HA H 25 4.625 4.933 -0.308 2
1 302 . 1 1 A 27 27 HIS C C 25 173.157 172.963 0.194 2
1 303 . 1 1 A 27 27 HIS CA C 25 55.916 55.099 0.817 2
1 304 . 1 1 A 27 27 HIS CB C 25 32.808 33.053 -0.245 2
1 307 . 1 1 A 27 27 HIS N N 25 115.509 117.492 -1.983 2
1 308 . 1 1 A 28 28 LEU H H 26 8.117 8.641 -0.524 2
1 309 . 1 1 A 28 28 LEU HA H 26 4.990 5.105 -0.115 2
1 319 . 1 1 A 28 28 LEU C C 26 175.514 174.769 0.745 2
1 320 . 1 1 A 28 28 LEU CA C 26 54.662 53.693 0.969 2
1 321 . 1 1 A 28 28 LEU CB C 26 45.594 44.474 1.120 2
1 325 . 1 1 A 29 29 LYS H H 27 9.028 9.584 -0.556 2
1 326 . 1 1 A 29 29 LYS HA H 27 4.585 5.064 -0.479 2
1 335 . 1 1 A 29 29 LYS C C 27 173.758 174.766 -1.008 2
1 336 . 1 1 A 29 29 LYS CA C 27 54.945 54.770 0.175 2
1 337 . 1 1 A 29 29 LYS CB C 27 36.358 35.639 0.719 2
1 341 . 1 1 A 29 29 LYS N N 27 122.904 126.263 -3.359 2
1 342 . 1 1 A 30 30 ILE H H 28 8.540 8.986 -0.446 2
1 343 . 1 1 A 30 30 ILE HA H 28 4.626 4.791 -0.165 2
1 353 . 1 1 A 30 30 ILE C C 28 175.988 174.551 1.437 2
1 354 . 1 1 A 30 30 ILE CA C 28 60.122 59.977 0.145 2
1 355 . 1 1 A 30 30 ILE CB C 28 38.795 38.916 -0.121 2
1 359 . 1 1 A 30 30 ILE N N 28 123.517 127.769 -4.253 2
1 360 . 1 1 A 31 31 LEU H H 29 8.961 9.309 -0.348 2
1 361 . 1 1 A 31 31 LEU HA H 29 4.564 5.175 -0.611 2
1 371 . 1 1 A 31 31 LEU C C 29 176.005 175.124 0.881 2
1 372 . 1 1 A 31 31 LEU CA C 29 53.975 53.469 0.506 2
1 373 . 1 1 A 31 31 LEU CB C 29 43.485 44.813 -1.328 2
1 376 . 1 1 A 31 31 LEU N N 29 128.881 129.281 -0.400 2
1 377 . 1 1 A 32 32 ASN H H 30 8.763 8.989 -0.226 2
1 378 . 1 1 A 32 32 ASN HA H 30 4.991 5.470 -0.479 2
1 383 . 1 1 A 32 32 ASN C C 30 174.462 174.153 0.309 2
1 384 . 1 1 A 32 32 ASN CA C 30 52.413 51.852 0.560 2
1 385 . 1 1 A 32 32 ASN CB C 30 39.238 41.009 -1.771 2
1 386 . 1 1 A 32 32 ASN N N 30 124.019 124.125 -0.106 2
1 388 . 1 1 A 33 33 THR H H 31 8.170 8.451 -0.281 2
1 389 . 1 1 A 33 33 THR HA H 31 4.628 4.842 -0.214 2
1 394 . 1 1 A 33 33 THR CA C 31 59.475 58.941 0.534 2
1 395 . 1 1 A 33 33 THR CB C 31 70.435 70.943 -0.508 2
1 397 . 1 1 A 33 33 THR N N 31 119.276 117.197 2.079 2
1 398 . 1 1 A 34 34 PRO HA H 32 4.223 4.316 -0.093 2
1 405 . 1 1 A 34 34 PRO C C 32 176.814 177.666 -0.852 2
1 406 . 1 1 A 34 34 PRO CA C 32 64.445 65.533 -1.088 2
1 407 . 1 1 A 34 34 PRO CB C 32 32.161 31.828 0.333 2
1 410 . 1 1 A 35 35 ASN H H 33 8.574 8.513 0.061 2
1 411 . 1 1 A 35 35 ASN HA H 33 4.320 4.717 -0.397 2
1 416 . 1 1 A 35 35 ASN C C 33 174.344 175.191 -0.847 2
1 417 . 1 1 A 35 35 ASN CA C 33 54.945 53.365 1.580 2
1 418 . 1 1 A 35 35 ASN CB C 33 38.122 38.611 -0.489 2
1 419 . 1 1 A 35 35 ASN N N 33 113.042 113.627 -0.585 2
1 421 . 1 1 A 36 36 CYS H H 34 7.554 7.828 -0.274 2
1 422 . 1 1 A 36 36 CYS HA H 34 4.891 4.879 0.012 2
1 425 . 1 1 A 36 36 CYS C C 34 173.880 173.437 0.443 2
1 426 . 1 1 A 36 36 CYS CA C 34 54.622 56.026 -1.404 2
1 427 . 1 1 A 36 36 CYS CB C 34 44.780 45.015 -0.235 2
1 428 . 1 1 A 36 36 CYS N N 34 116.301 116.829 -0.528 2
1 429 . 1 1 A 37 37 ALA H H 35 8.418 7.789 0.629 2
1 430 . 1 1 A 37 37 ALA HA H 35 4.237 4.345 -0.108 2
1 434 . 1 1 A 37 37 ALA C C 35 176.677 176.108 0.569 2
1 435 . 1 1 A 37 37 ALA CA C 35 52.413 52.039 0.374 2
1 436 . 1 1 A 37 37 ALA CB C 35 18.992 20.185 -1.193 2
1 437 . 1 1 A 37 37 ALA N N 35 125.001 120.874 4.126 2
1 438 . 1 1 A 38 38 LEU H H 36 8.060 8.495 -0.435 2
1 439 . 1 1 A 38 38 LEU HA H 36 4.203 4.626 -0.423 2
1 449 . 1 1 A 38 38 LEU C C 36 176.194 175.827 0.367 2
1 450 . 1 1 A 38 38 LEU CA C 36 56.563 54.522 2.042 2
1 451 . 1 1 A 38 38 LEU CB C 36 42.488 42.934 -0.446 2
1 455 . 1 1 A 38 38 LEU N N 36 121.548 119.781 1.767 2
1 456 . 1 1 A 39 39 GLN H H 37 8.434 8.874 -0.440 2
1 457 . 1 1 A 39 39 GLN HA H 37 4.623 5.044 -0.421 2
1 464 . 1 1 A 39 39 GLN C C 37 173.581 174.544 -0.963 2
1 465 . 1 1 A 39 39 GLN CA C 37 54.109 54.449 -0.340 2
1 466 . 1 1 A 39 39 GLN CB C 37 32.286 31.265 1.021 2
1 468 . 1 1 A 39 39 GLN N N 37 123.271 122.352 0.919 2
1 470 . 1 1 A 40 40 ILE H H 38 9.408 8.609 0.799 2
1 471 . 1 1 A 40 40 ILE HA H 38 4.735 4.925 -0.190 2
1 481 . 1 1 A 40 40 ILE C C 38 174.547 175.208 -0.661 2
1 482 . 1 1 A 40 40 ILE CA C 38 60.122 60.108 0.014 2
1 483 . 1 1 A 40 40 ILE CB C 38 38.899 39.710 -0.811 2
1 487 . 1 1 A 40 40 ILE N N 38 124.702 125.394 -0.692 2
1 488 . 1 1 A 41 41 VAL H H 39 8.826 9.504 -0.678 2
1 489 . 1 1 A 41 41 VAL HA H 39 5.041 4.956 0.085 2
1 497 . 1 1 A 41 41 VAL C C 39 174.772 175.031 -0.259 2
1 498 . 1 1 A 41 41 VAL CA C 39 60.111 61.299 -1.188 2
1 499 . 1 1 A 41 41 VAL CB C 39 34.767 33.803 0.964 2
1 501 . 1 1 A 41 41 VAL N N 39 124.047 127.712 -3.665 2
1 502 . 1 1 A 42 42 ALA H H 40 9.299 9.340 -0.041 2
1 503 . 1 1 A 42 42 ALA HA H 40 5.276 5.963 -0.687 2
1 507 . 1 1 A 42 42 ALA C C 40 175.955 175.056 0.899 2
1 508 . 1 1 A 42 42 ALA CA C 40 50.093 50.436 -0.343 2
1 509 . 1 1 A 42 42 ALA CB C 40 23.800 23.682 0.118 2
1 510 . 1 1 A 42 42 ALA N N 40 126.567 128.867 -2.300 2
1 511 . 1 1 A 43 43 ARG H H 41 8.398 8.838 -0.440 2
1 512 . 1 1 A 43 43 ARG HA H 41 5.131 5.199 -0.067 2
1 519 . 1 1 A 43 43 ARG C C 41 176.184 175.356 0.828 2
1 520 . 1 1 A 43 43 ARG CA C 41 53.900 54.692 -0.792 2
1 521 . 1 1 A 43 43 ARG CB C 41 32.161 33.339 -1.178 2
1 524 . 1 1 A 43 43 ARG N N 41 118.991 121.442 -2.451 2
1 525 . 1 1 A 44 44 LEU H H 42 8.988 9.401 -0.413 2
1 526 . 1 1 A 44 44 LEU HA H 42 4.925 4.865 0.060 2
1 536 . 1 1 A 44 44 LEU C C 42 178.369 176.753 1.616 2
1 537 . 1 1 A 44 44 LEU CA C 42 54.329 54.590 -0.261 2
1 538 . 1 1 A 44 44 LEU CB C 42 41.497 42.364 -0.867 2
1 542 . 1 1 A 44 44 LEU N N 42 125.637 127.237 -1.599 2
1 543 . 1 1 A 45 45 LYS H H 43 8.470 9.399 -0.929 2
1 544 . 1 1 A 45 45 LYS HA H 43 3.823 4.107 -0.284 2
1 553 . 1 1 A 45 45 LYS CA C 43 59.340 58.912 0.428 2
1 554 . 1 1 A 45 45 LYS CB C 43 33.445 32.743 0.702 2
1 558 . 1 1 A 45 45 LYS N N 43 120.489 122.536 -2.047 2
1 559 . 1 1 A 46 46 ASN HA H 44 4.421 4.508 -0.087 2
1 564 . 1 1 A 46 46 ASN C C 44 175.970 176.952 -0.982 2
1 565 . 1 1 A 46 46 ASN CA C 44 55.457 55.905 -0.448 2
1 566 . 1 1 A 46 46 ASN CB C 44 37.507 38.722 -1.215 2
1 568 . 1 1 A 47 47 ASN H H 45 7.483 7.970 -0.487 2
1 569 . 1 1 A 47 47 ASN HA H 45 4.706 4.776 -0.070 2
1 574 . 1 1 A 47 47 ASN C C 45 175.461 175.215 0.246 2
1 575 . 1 1 A 47 47 ASN CA C 45 52.769 53.019 -0.250 2
1 576 . 1 1 A 47 47 ASN CB C 45 39.194 39.160 0.034 2
1 577 . 1 1 A 47 47 ASN N N 45 115.277 114.691 0.586 2
1 579 . 1 1 A 48 48 ASN H H 46 7.995 8.182 -0.187 2
1 580 . 1 1 A 48 48 ASN HA H 46 4.661 4.814 -0.153 2
1 585 . 1 1 A 48 48 ASN C C 46 174.812 174.289 0.523 2
1 586 . 1 1 A 48 48 ASN CA C 46 54.298 54.588 -0.290 2
1 587 . 1 1 A 48 48 ASN CB C 46 39.103 37.712 1.391 2
1 588 . 1 1 A 48 48 ASN N N 46 116.416 116.540 -0.124 2
1 590 . 1 1 A 49 49 ARG H H 47 7.940 7.804 0.136 2
1 591 . 1 1 A 49 49 ARG HA H 47 4.205 4.690 -0.485 2
1 598 . 1 1 A 49 49 ARG C C 47 175.719 174.980 0.739 2
1 599 . 1 1 A 49 49 ARG CA C 47 57.084 55.375 1.709 2
1 600 . 1 1 A 49 49 ARG CB C 47 31.792 32.065 -0.273 2
1 603 . 1 1 A 49 49 ARG N N 47 120.017 117.859 2.158 2
1 604 . 1 1 A 50 50 GLN H H 48 8.641 8.624 0.017 2
1 605 . 1 1 A 50 50 GLN HA H 48 5.240 5.009 0.231 2
1 612 . 1 1 A 50 50 GLN C C 48 175.697 175.465 0.232 2
1 613 . 1 1 A 50 50 GLN CA C 48 55.454 55.317 0.137 2
1 614 . 1 1 A 50 50 GLN CB C 48 30.959 30.122 0.837 2
1 616 . 1 1 A 50 50 GLN N N 48 123.029 122.871 0.158 2
1 618 . 1 1 A 51 51 VAL H H 49 9.018 9.513 -0.495 2
1 619 . 1 1 A 51 51 VAL HA H 49 4.745 4.850 -0.105 2
1 627 . 1 1 A 51 51 VAL C C 49 174.561 174.411 0.150 2
1 628 . 1 1 A 51 51 VAL CA C 49 59.266 59.312 -0.046 2
1 629 . 1 1 A 51 51 VAL CB C 49 35.845 35.461 0.384 2
1 632 . 1 1 A 51 51 VAL N N 49 119.358 120.544 -1.186 2
1 633 . 1 1 A 52 52 CYS H H 50 8.895 8.768 0.127 2
1 634 . 1 1 A 52 52 CYS HA H 50 5.636 5.403 0.233 2
1 637 . 1 1 A 52 52 CYS C C 50 174.469 173.149 1.320 2
1 638 . 1 1 A 52 52 CYS CA C 50 56.377 54.839 1.538 2
1 639 . 1 1 A 52 52 CYS CB C 50 44.680 43.848 0.832 2
1 640 . 1 1 A 52 52 CYS N N 50 120.834 120.510 0.324 2
1 641 . 1 1 A 53 53 ILE H H 51 8.615 9.678 -1.063 2
1 642 . 1 1 A 53 53 ILE HA H 51 4.512 4.598 -0.086 2
1 652 . 1 1 A 53 53 ILE C C 51 174.137 174.685 -0.548 2
1 653 . 1 1 A 53 53 ILE CA C 51 59.397 60.171 -0.774 2
1 654 . 1 1 A 53 53 ILE CB C 51 39.603 40.098 -0.495 2
1 658 . 1 1 A 53 53 ILE N N 51 122.392 125.377 -2.985 2
1 659 . 1 1 A 54 54 ASP H H 52 7.766 8.353 -0.587 2
1 660 . 1 1 A 54 54 ASP HA H 52 3.572 3.695 -0.123 2
1 663 . 1 1 A 54 54 ASP CA C 52 51.578 51.455 0.123 2
1 664 . 1 1 A 54 54 ASP CB C 52 42.381 41.509 0.872 2
1 665 . 1 1 A 54 54 ASP N N 52 126.398 126.168 0.230 2
1 666 . 1 1 A 55 55 PRO HA H 53 4.011 4.253 -0.242 2
1 673 . 1 1 A 55 55 PRO C C 53 176.274 177.307 -1.033 2
1 674 . 1 1 A 55 55 PRO CA C 53 63.546 63.989 -0.443 2
1 675 . 1 1 A 55 55 PRO CB C 53 32.270 31.634 0.636 2
1 678 . 1 1 A 56 56 LYS H H 54 8.053 7.977 0.076 2
1 679 . 1 1 A 56 56 LYS HA H 54 3.982 4.209 -0.227 2
1 688 . 1 1 A 56 56 LYS C C 54 177.867 176.782 1.084 2
1 689 . 1 1 A 56 56 LYS CA C 54 56.189 56.995 -0.806 2
1 690 . 1 1 A 56 56 LYS CB C 54 31.649 32.605 -0.956 2
1 694 . 1 1 A 56 56 LYS N N 54 115.161 116.493 -1.332 2
1 695 . 1 1 A 57 57 LEU H H 55 7.145 7.051 0.094 2
1 696 . 1 1 A 57 57 LEU HA H 55 4.027 4.142 -0.115 2
1 706 . 1 1 A 57 57 LEU C C 55 179.221 177.524 1.697 2
1 707 . 1 1 A 57 57 LEU CA C 55 14.371 55.368 -40.997 2
1 708 . 1 1 A 57 57 LEU CB C 55 41.739 41.768 -0.029 2
1 712 . 1 1 A 57 57 LEU N N 55 120.921 121.527 -0.606 2
1 713 . 1 1 A 58 58 LYS H H 56 8.798 8.838 -0.040 2
1 714 . 1 1 A 58 58 LYS HA H 56 3.937 3.962 -0.025 2
1 723 . 1 1 A 58 58 LYS C C 56 179.161 178.335 0.826 2
1 724 . 1 1 A 58 58 LYS CA C 56 60.116 59.440 0.676 2
1 725 . 1 1 A 58 58 LYS CB C 56 32.100 32.171 -0.071 2
1 729 . 1 1 A 58 58 LYS N N 56 125.449 124.381 1.068 2
1 730 . 1 1 A 59 59 TRP H H 57 7.821 8.272 -0.451 2
1 731 . 1 1 A 59 59 TRP HA H 57 4.636 4.565 0.071 2
1 740 . 1 1 A 59 59 TRP C C 57 178.642 179.101 -0.459 2
1 741 . 1 1 A 59 59 TRP CA C 57 58.388 59.642 -1.254 2
1 742 . 1 1 A 59 59 TRP CB C 57 27.954 27.932 0.022 2
1 748 . 1 1 A 59 59 TRP N N 57 113.650 119.246 -5.596 2
1 750 . 1 1 A 60 60 ILE H H 58 6.340 7.475 -1.135 2
1 751 . 1 1 A 60 60 ILE HA H 58 3.620 3.292 0.328 2
1 761 . 1 1 A 60 60 ILE C C 58 177.104 177.593 -0.489 2
1 762 . 1 1 A 60 60 ILE CA C 58 61.605 64.299 -2.694 2
1 763 . 1 1 A 60 60 ILE CB C 58 36.043 36.247 -0.204 2
1 767 . 1 1 A 60 60 ILE N N 58 123.265 122.090 1.175 2
1 768 . 1 1 A 61 61 GLN H H 59 7.710 8.091 -0.381 2
1 769 . 1 1 A 61 61 GLN HA H 59 3.824 3.912 -0.088 2
1 776 . 1 1 A 61 61 GLN C C 59 178.933 178.974 -0.041 2
1 777 . 1 1 A 61 61 GLN CA C 59 59.663 59.026 0.637 2
1 778 . 1 1 A 61 61 GLN CB C 59 27.972 28.234 -0.262 2
1 780 . 1 1 A 61 61 GLN N N 59 120.515 119.074 1.441 2
1 782 . 1 1 A 62 62 GLU H H 60 8.042 7.865 0.177 2
1 783 . 1 1 A 62 62 GLU HA H 60 4.093 4.088 0.005 2
1 788 . 1 1 A 62 62 GLU C C 60 178.539 178.710 -0.171 2
1 789 . 1 1 A 62 62 GLU CA C 60 59.152 59.336 -0.184 2
1 790 . 1 1 A 62 62 GLU CB C 60 29.896 29.518 0.378 2
1 792 . 1 1 A 62 62 GLU N N 60 117.976 120.808 -2.832 2
1 793 . 1 1 A 63 63 TYR H H 61 7.882 8.204 -0.322 2
1 794 . 1 1 A 63 63 TYR HA H 61 4.214 4.213 0.001 2
1 801 . 1 1 A 63 63 TYR C C 61 178.157 177.368 0.789 2
1 802 . 1 1 A 63 63 TYR CA C 61 61.281 61.505 -0.224 2
1 803 . 1 1 A 63 63 TYR CB C 61 38.956 38.696 0.260 2
1 806 . 1 1 A 63 63 TYR N N 61 120.743 122.362 -1.619 2
1 807 . 1 1 A 64 64 LEU H H 62 8.438 8.875 -0.437 2
1 808 . 1 1 A 64 64 LEU HA H 62 3.886 3.621 0.265 2
1 818 . 1 1 A 64 64 LEU C C 62 178.678 179.174 -0.496 2
1 819 . 1 1 A 64 64 LEU CA C 62 57.619 57.951 -0.332 2
1 820 . 1 1 A 64 64 LEU CB C 62 41.868 41.413 0.455 2
1 824 . 1 1 A 64 64 LEU N N 62 119.052 119.974 -0.922 2
1 825 . 1 1 A 65 65 GLU H H 63 7.884 8.371 -0.487 2
1 826 . 1 1 A 65 65 GLU HA H 63 3.998 4.008 -0.010 2
1 831 . 1 1 A 65 65 GLU C C 63 178.447 178.204 0.243 2
1 832 . 1 1 A 65 65 GLU CA C 63 59.143 58.984 0.159 2
1 833 . 1 1 A 65 65 GLU CB C 63 29.708 28.830 0.878 2
1 835 . 1 1 A 65 65 GLU N N 63 118.310 117.801 0.509 2
1 836 . 1 1 A 66 66 LYS H H 64 7.576 7.925 -0.348 2
1 837 . 1 1 A 66 66 LYS HA H 64 4.208 4.238 -0.030 2
1 846 . 1 1 A 66 66 LYS C C 64 177.941 177.961 -0.020 2
1 847 . 1 1 A 66 66 LYS CA C 64 57.543 57.702 -0.159 2
1 848 . 1 1 A 66 66 LYS CB C 64 32.620 32.717 -0.097 2
1 852 . 1 1 A 66 66 LYS N N 64 117.398 118.552 -1.154 2
1 853 . 1 1 A 67 67 ALA H H 65 7.934 7.834 0.100 2
1 854 . 1 1 A 67 67 ALA HA H 65 4.106 4.122 -0.017 2
1 858 . 1 1 A 67 67 ALA C C 65 178.624 179.470 -0.846 2
1 859 . 1 1 A 67 67 ALA CA C 65 53.790 53.833 -0.043 2
1 860 . 1 1 A 67 67 ALA CB C 65 19.106 18.765 0.341 2
1 861 . 1 1 A 67 67 ALA N N 65 121.561 121.505 0.056 2
1 862 . 1 1 A 68 68 LEU H H 66 7.835 7.868 -0.033 2
1 863 . 1 1 A 68 68 LEU HA H 66 4.268 4.069 0.199 2
1 873 . 1 1 A 68 68 LEU CA C 66 55.593 57.105 -1.512 2
1 874 . 1 1 A 68 68 LEU CB C 66 42.191 42.140 0.051 2
1 877 . 1 1 A 68 68 LEU N N 66 117.270 118.570 -1.300 2
1 878 . 1 1 A 69 69 ASN H H 67 7.914 7.825 0.089 2
1 879 . 1 1 A 69 69 ASN HA H 67 4.731 4.606 0.125 2
1 884 . 1 1 A 69 69 ASN C C 67 174.039 175.615 -1.576 2
1 885 . 1 1 A 69 69 ASN CA C 67 53.328 54.899 -1.571 2
1 886 . 1 1 A 69 69 ASN CB C 67 39.091 38.753 0.338 2
1 887 . 1 1 A 69 69 ASN N N 67 118.309 116.926 1.383 2
stop_
save_